0 B11R1.16 CCOC(=O)c1cccnc1 AB00748 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.16 CCOC(=O)c1ccncn1 AB52728 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.16 CCOC(=O)c1cncnn1 AB72449 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.16 CCOC(=O)c1cnncn1 AB66560 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.16 CCOC(=O)c1nccnn1 AB56211 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.16 CCOC(=O)c1ncncn1 AB66563 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.16 CN(CCBr)c1ccccc1 AB60657 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.16 CN(CCN)c1ccccc1 AB02070 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.16 c1ccc(cc1)C(=O)OCCl AB01791 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.16 c1ccc(cc1)C(CCO)N AB07310 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.15 CCC(=O)c1ccccn1 AB01373 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.15 CCC(=O)c1cnccn1 PB23991 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.15 CNC(=O)c1cnccn1 AB70331 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.15 COC(=N)c1cnccn1 AB61004 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.15 COC(=O)c1cccnn1 PB28168 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.15 COC(=O)c1ccncn1 PB15680 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.15 COC(=O)c1ccnnc1 PB31452 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.15 COC(=O)c1cncnc1 PB15822 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.15 COC(=O)c1ncccn1 PB20045 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.15 c1cc(cnc1)C(=O)C=O AB62325 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [1,0,0,0,0,0|1,0,1]=3 28 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.15 c1ccnc(c1)C(=O)C=O AB62330 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.15 c1cnccc1C(=O)C=O AB62328 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.15 c1cnccc1C(=O)CBr AB12154 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.17 c1ccc(cc1)CCCN AB00940 [1,0,0,0,0,0|2,0,1]=4 34 B12R1.16 CCNC(=O)c1ccc(cc1)O AB63728 [0,1,0,0,0,0|1,0,0]=2 35 B12R1.16 CCOC(=O)c1ccc(cn1)Br MB01029 [0,1,0,0,0,0|1,0,0]=2 36 B12R1.16 CCOC(=O)c1ccc(nc1)C PB19876 [0,1,0,0,0,0|1,0,0]=2 37 B12R1.16 CCOC(=O)c1ccc(nc1)N AB21186 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.16 CCOC(=O)c1cnc(nc1)C PB32795 [0,1,0,0,0,0|2,0,0]=3 39 B12R1.16 CCOC(=O)c1cnc(nc1)Cl AB53770 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.16 CCOC(=O)c1cnc(nc1)N AB17890 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.16 CCOS(=O)c1ccc(cc1)Cl AB45706 [0,1,0,0,0,0|1,0,0]=2 42 B12R1.16 c1cc(ccc1C(=O)CC#N)Br AB07931 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.16 c1cc(ccc1C(=O)CC#N)I AB18118 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.17 CCOC(=O)c1cc(ccn1)Br AB53514 [0,1,0,0,0,0|1,0,0]=2 45 B12R1.17 CCOC(=O)c1cc(ccn1)Cl MB07478 [0,1,0,0,0,0|1,0,0]=2 46 B12R1.17 CCOC(=O)c1cc(ccn1)N PB20455 [0,1,0,0,0,0|1,0,0]=2 47 B12R1.17 CCOC(=O)c1cc(cnc1)Br AB01806 [0,1,0,0,0,0|1,0,0]=2 48 B12R1.17 CCOC(=O)c1cc(ncn1)Cl PB19299 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.17 CCOC(=O)c1cc(ncn1)O AB63705 [0,1,0,0,0,0|2,0,0]=3 50 B12R1.17 CCOC(=O)c1cccc(n1)F AB64443 [0,1,0,0,0,0|1,0,0]=2 51 B12R1.17 CCOC(=O)c1ccnc(c1)N AB16201 [0,1,0,0,0,0|1,0,0]=2 52 B12R1.17 CCOC(=O)c1ccnc(n1)C AB62976 [0,1,0,0,0,0|2,0,0]=3 53 B12R1.17 CCOC(=O)c1ccnc(n1)Cl AB44774 [0,1,0,0,0,0|2,0,0]=3 54 B12R1.17 CCOC(=O)c1ccnc(n1)N AB76641 [0,1,0,0,0,0|2,0,0]=3 55 B12R1.17 CCOC(=O)c1ccnc(n1)O AB44770 [0,1,0,0,0,0|2,0,0]=3 56 B12R1.17 CCOC(=O)c1nccc(n1)C AB69279 [0,1,0,0,0,0|2,0,0]=3 57 B12R1.17 CCOC(=O)c1nccc(n1)Cl AB59517 [0,1,0,0,0,0|2,0,0]=3 58 B12R1.17 c1cc(cc(c1)Br)C(=O)CC#N AB11730 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.17 c1cc(cc(c1)I)C(=O)CC#N AB18114 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.30 CN(CCCN)c1ccccc1 AB04605 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.30 CNCCC(c1ccccc1)O AB06932 [0,1,0,0,0,0|1,0,2]=4 62 B12R1.30 c1ccc(cc1)C(=O)CSC#N AB01264 [0,1,0,0,0,0|1,1,1]=4 63 B12R1.308 CCOC(=O)c1c(cccn1)Br AB68905 [0,1,0,0,0,0|1,0,0]=2 64 B12R1.308 CCOC(=O)c1c(cccn1)C AB64448 [0,1,0,0,0,0|1,0,0]=2 65 B12R1.308 CCOC(=O)c1c(cccn1)N AB06627 [0,1,0,0,0,0|1,0,0]=2 66 B12R1.308 CCOC(=O)c1c(ccnn1)C PB13973 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.308 CCOC(=O)c1c(cncn1)Br AB71475 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.308 CCOC(=O)c1c(cncn1)C AB71784 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.308 CCOC(=O)c1c(cncn1)Cl AB63706 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.308 CCOC(=O)c1c(cncn1)N AB71473 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.308 CCOC(=O)c1c(nccn1)C AB53416 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.308 CCOC(=O)c1c(nccn1)Cl AB32646 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.308 CCOC(=O)c1c(nccn1)N AB30933 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.308 CCOC(=O)c1c(ncnn1)C AB72453 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.308 CCOC(=O)c1c(ncnn1)Cl AB72452 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.308 CCOC(=O)c1c(nncn1)Cl AB72426 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.308 CCOC(=O)c1cccnc1C AB00718 [0,1,0,0,0,0|1,0,0]=2 78 B12R1.308 CCOC(=O)c1cccnc1N PB26067 [0,1,0,0,0,0|1,0,0]=2 79 B12R1.308 CCOC(=O)c1cccnc1O AB53419 [0,1,0,0,0,0|1,0,0]=2 80 B12R1.308 CCOC(=O)c1ccncc1N AB15955 [0,1,0,0,0,0|1,0,0]=2 81 B12R1.308 CCOC(=O)c1ccncc1O PB32752 [0,1,0,0,0,0|1,0,0]=2 82 B12R1.308 CCOC(=O)c1ccnnc1C PB32968 [0,1,0,0,0,0|2,0,0]=3 83 B12R1.308 CCOC(=O)c1cnccc1C AB62589 [0,1,0,0,0,0|1,0,0]=2 84 B12R1.308 CCOC(=O)c1cnccc1Cl AB30313 [0,1,0,0,0,0|1,0,0]=2 85 B12R1.308 CCOC(=O)c1cnccc1O MB01033 [0,1,0,0,0,0|1,0,0]=2 86 B12R1.308 CCOC(=O)c1cncnc1Cl AB32643 [0,1,0,0,0,0|2,0,0]=3 87 B12R1.308 CCOC(=O)c1cncnc1O AB05293 [0,1,0,0,0,0|2,0,0]=3 88 B12R1.308 CCOC(=O)c1cnncc1C PB27094 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.308 c1ccc(c(c1)C(=O)CC#N)Br AB11732 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.308 c1ccc(c(c1)C(=O)CC#N)I AB18121 [0,1,0,0,0,0|2,0,1]=4 91 B12R2.2 c1ccc(cc1)C2CCCN2 AB09387 [0,0,0,1,0,0|2,0,1]=4 92 B12R2.2 c1ccc(cc1)C2CCCO2 PB14199 [0,0,0,1,0,0|1,0,1]=3 93 B12R2.2 c1ccc(cc1)[C@H]2CCCN2 AB29151 [0,0,0,1,0,0|2,0,1]=4 94 B12R2.116 c1ccc(cc1)C2(CCC2)N AB45250 [0,0,0,1,0,0|2,0,1]=4 95 B12R2.1081 CC1c2ccccc2CCN1 AB07224 [0,0,0,1,0,0|2,0,1]=4 96 B12R2.1081 c1c2c(ncn1)CCCC2=O AB49635 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.1081 c1c2c(ncn1)CCNC2=O AB77289 [0,0,0,1,0,0|3,0,0]=4 98 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 AB16309 [0,0,0,1,0,0|2,0,0]=3 99 B12R2.1081 c1cc2c(nc1)C(=O)COC2 AB74027 [0,0,0,1,0,0|3,0,0]=4 100 B12R2.1081 c1cc2c(nc1)C(=O)NCC2 AB71451 [0,0,0,1,0,0|2,0,0]=3 101 B12R2.1081 c1cc2c(nc1)CCCC2=O PB30737 [0,0,0,1,0,0|2,0,0]=3 102 B12R2.1081 c1cc2c(nc1)CCNC2=O AB07692 [0,0,0,1,0,0|2,0,0]=3 103 B12R2.1081 c1cc2c(nc1)OCCC2=O AB52763 [0,0,0,1,0,0|3,0,0]=4 104 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 AB06711 [0,0,0,1,0,0|2,0,0]=3 105 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AB00814 [0,0,0,1,0,0|2,0,0]=3 106 B12R2.1081 c1ccc2c(c1)C(=O)CN=N2 MB06564 [0,0,0,1,0,0|3,0,0]=4 107 B12R2.1081 c1ccc2c(c1)CCCC2N AB00150 [0,0,0,1,0,0|2,0,1]=4 108 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N AB06758 [0,0,0,1,0,0|2,0,1]=4 109 B12R2.1081 c1ccc2c(c1)CCNC2=O AB07451 [0,0,0,1,0,0|1,0,0]=2 110 B12R2.1081 c1ccc2c(c1)CCOC2=O MB01461 [0,0,0,1,0,0|0,0,0]=1 111 B12R2.1081 c1ccc2c(c1)CNCC2=O AB11544 [0,0,0,1,0,0|2,0,0]=3 112 B12R2.1081 c1ccc2c(c1)COCC2=O PB14717 [0,0,0,1,0,0|2,0,0]=3 113 B12R2.1081 c1cncc2c1C(=O)CCC2 AB43737 [0,0,0,1,0,0|2,0,0]=3 114 B12R2.1081 c1cncc2c1C(=O)NCC2 AB66644 [0,0,0,1,0,0|2,0,0]=3 115 B12R2.1081 c1cncc2c1CCCC2=O MB04519 [0,0,0,1,0,0|2,0,0]=3 116 B12R2.1081 c1cncc2c1CCNC2=O AB66641 [0,0,0,1,0,0|2,0,0]=3 117 B12R2.1081 c1cncc2c1OCCC2=O AB68939 [0,0,0,1,0,0|3,0,0]=4 118 B12R2.2028 B1(c2cccnc2C(=O)O1)O AB57835 [0,0,0,1,0,0|3,0,0]=4 119 B12R2.2028 Cn1c2ccccc2c(n1)Br PB19317 [0,0,0,1,0,0|3,0,0]=4 120 B12R2.2028 Cn1c2ccccc2c(n1)I PB31461 [0,0,0,1,0,0|3,0,0]=4 121 B12R2.2028 Cn1cc(c2c1cccc2)Br MB09274 [0,0,0,1,0,0|3,0,0]=4 122 B12R2.2028 c1cc2c(nc1)C(=O)OC2=O PB28943 [0,0,0,1,0,0|2,0,1]=4 123 B12R2.2028 c1cc2c(nc1)C(=O)OC2O AB59881 [0,0,0,1,0,0|2,0,0]=3 124 B12R2.2028 c1ccc2c(c1)C(CC2=O)Br MB07683 [0,0,0,1,0,0|2,0,0]=3 125 B12R2.2028 c1ccc2c(c1)C(CC2=O)N AB50544 [0,0,0,1,0,0|2,0,0]=3 126 B12R2.2028 c1cncc2c1C(=O)OC2=O PB17052 [0,0,0,1,0,0|2,0,1]=4 127 B12R2.2028 c1cncc2c1C(=O)OC2O AB59884 [0,0,0,1,0,0|2,0,0]=3 128 B12R2.2028 c1cncc2c1C(OC2=O)O AB59886 [0,0,0,1,0,0|2,0,0]=3 129 B12R2.2075 c1ccc(cc1)C(C2CC2)N CB10839 [0,0,0,1,0,0|2,0,1]=4 130 B10R1.11 CCOC(=O)C1=CN=NC1 PB25908 [0,0,0,0,1,0|2,0,1]=4 131 B10R1.11 CCOC(=O)C1=NC=NC1 AB11920 [0,0,0,0,1,0|2,0,1]=4 132 B10R1.11 CCOC(=O)C1=NN=CC1 AB06196 [0,0,0,0,1,0|2,0,1]=4 133 B10R1.11 CCOC(=O)C1=NN=CC1 PB27452 [0,0,0,0,1,0|2,0,1]=4 134 B10R1.11 CCOC(=O)C1CC=CC1 AB24924 [0,0,0,0,1,0|0,0,3]=4 135 B10R1.11 CCOC(=O)c1[nH]ccn1 AB14751 [0,0,0,0,1,0|2,0,0]=3 136 B10R1.11 CCOC(=O)c1ccon1 PB14547 [0,0,0,0,1,0|2,0,0]=3 137 B10R1.11 CCOC(=O)c1cnco1 AB19292 [0,0,0,0,1,0|2,0,0]=3 138 B10R1.11 CCOC(=O)c1cncs1 PB17345 [0,0,0,0,1,0|2,0,0]=3 139 B10R1.11 CCOC(=O)c1cnoc1 PB30887 [0,0,0,0,1,0|2,0,0]=3 140 B10R1.11 CCOC(=O)c1cocn1 PB21846 [0,0,0,0,1,0|2,0,0]=3 141 B10R1.11 CCOC(=O)c1cscn1 AB16049 [0,0,0,0,1,0|2,0,0]=3 142 B10R1.11 CCOC(=O)c1ncco1 AB19317 [0,0,0,0,1,0|2,0,0]=3 143 B10R1.11 CCOC(=O)c1nccs1 AB23232 [0,0,0,0,1,0|2,0,0]=3 144 B10R1.11 CCOC(=O)c1ncns1 AB77003 [0,0,0,0,1,0|3,0,0]=4 145 B10R1.11 CCOC(=O)c1nnco1 AB58071 [0,0,0,0,1,0|3,0,0]=4 146 B10R1.11 c1cc(sc1)C(=O)CCCl AB24965 [0,0,0,0,1,0|3,0,0]=4 147 B12R1.32 CCOC(=O)Cc1ccccn1 AB00728 [0,0,0,0,0,1|1,0,0]=2 148 B12R1.32 CCOC(=O)Cc1cnccn1 AB62539 [0,0,0,0,0,1|2,0,0]=3 149 B12R1.32 CCOC(=O)Cc1ncccn1 PB14776 [0,0,0,0,0,1|2,0,0]=3 150 B9R0.35 CCOC(=O)\C(=C\C=O)\Br AB70320 [1,0,1,0,0,0|2,0,0]=4 151 B9R1.6 CC(=O)c1ccccn1 AB00686 [2,0,0,0,0,0|1,0,0]=3 152 B9R1.6 CC(=O)c1cccnc1 AB00750 [2,0,0,0,0,0|1,0,0]=3 153 B9R1.6 CC(=O)c1cccnn1 PB16551 [2,0,0,0,0,0|2,0,0]=4 154 B9R1.6 CC(=O)c1ccncc1 AB00760 [2,0,0,0,0,0|1,0,0]=3 155 B9R1.6 CC(=O)c1ccncn1 PB17606 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.6 CC(=O)c1ccnnc1 PB26895 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.6 CC(=O)c1cnccn1 AB00602 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.6 CC(=O)c1cncnc1 PB20327 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.6 CC(=O)c1ncccn1 PB34295 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.6 CC(c1ccccc1)Cl AB01249 [2,0,0,0,0,0|1,0,1]=4 161 B9R1.6 c1c(cncn1)C(=O)O PB23195 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [2,0,0,0,0,0|1,0,0]=3 165 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.6 c1cnccc1C(=O)O AB00757 [2,0,0,0,0,0|1,0,0]=3 168 B9R1.6 c1cncnc1C(=O)O PB29023 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.6 c1cnncc1C(=O)O PB17054 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [2,0,0,0,0,0|1,0,1]=4 171 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [2,0,0,0,0,0|2,0,0]=4 172 B11R1.22 CCC(=O)c1ccc(cn1)Br AB68534 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.22 CNC(=O)c1ccc(cn1)O MB11446 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.22 CNC(=O)c1ccc(nc1)Br MB07978 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.22 COC(=N)c1ccc(cc1)F AB60956 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.22 COC(=N)c1ccc(cc1)N AB60980 [1,1,0,0,0,0|1,0,0]=3 178 B11R1.22 COC(=N)c1ccc(cc1)O AB01949 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.22 COC(=O)c1ccc(cn1)Br PB29312 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.22 COC(=O)c1ccc(cn1)Cl AB51080 [1,1,0,0,0,0|1,0,0]=3 181 B11R1.22 COC(=O)c1ccc(cn1)N PB26290 [1,1,0,0,0,0|1,0,0]=3 182 B11R1.22 COC(=O)c1ccc(cn1)O PB27686 [1,1,0,0,0,0|1,0,0]=3 183 B11R1.22 COC(=O)c1ccc(nc1)Br PB29326 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.22 COC(=O)c1ccc(nc1)N PB19892 [1,1,0,0,0,0|1,0,0]=3 185 B11R1.22 COC(=O)c1ccc(nc1)O PB34296 [1,1,0,0,0,0|1,0,0]=3 186 B11R1.22 COC(=O)c1ccc(nn1)Br MB13587 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.22 COC(=O)c1ccc(nn1)Cl PB18925 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.22 COC(=O)c1ccc(nn1)N PB33362 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.22 COC(=O)c1ccc(nn1)O PB13716 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.22 COC(=O)c1cnc(cn1)Br MB08354 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.22 COC(=O)c1cnc(cn1)Cl PB33958 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.22 COC(=O)c1cnc(cn1)N PB12687 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.22 COC(=O)c1cnc(cn1)O PB32586 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.22 COC(=O)c1cnc(nc1)Br MB14326 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.22 COC(=O)c1cnc(nc1)Cl PB17570 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.22 COC(=O)c1cnc(nc1)N PB27896 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.22 COC(=O)c1ncc(cn1)Br PB26634 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.22 COC(=O)c1ncc(cn1)N PB10524 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.22 COC(=O)c1ncc(cn1)N PB37109 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.22 COS(=O)c1ccc(cc1)Cl AB45287 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05249 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05288 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.22 Cc1cnc(nc1)C(=O)OC PB28603 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.22 Cc1ncc(cn1)C(=O)OC PB10888 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.22 c1cc(ccc1C(=O)C#N)Br MB00883 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB07939 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB49987 [1,1,0,0,0,0|1,0,1]=4 208 B11R1.22 c1cc(ccc1C(=O)C=O)Cl AB44429 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.22 c1cc(ccc1C(=O)C=O)F AB09010 [1,1,0,0,0,0|1,0,1]=4 210 B11R1.22 c1cc(ccc1C(=O)C=O)O AB02263 [1,1,0,0,0,0|1,0,1]=4 211 B11R1.22 c1cc(ccc1C(=O)CN)Br CB10172 [1,1,0,0,0,0|1,0,0]=3 212 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [1,1,0,0,0,0|1,0,0]=3 213 B11R1.22 c1cc(ncc1Br)C(=O)CBr AB69651 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.22 c1cc(ncc1C(=O)CBr)Cl AB13128 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.22 c1cc(ncc1Cl)C(=O)CBr AB60184 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.23 CNC(=O)c1cc(ccn1)Br MB13829 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.23 CNC(=O)c1cc(ccn1)Cl AB11548 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.23 CNC(=O)c1cc(ccn1)N AB65387 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.23 CNC(=O)c1cc(ccn1)O MB25398 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.23 CNC(=O)c1cc(cnc1)Br MB02044 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.23 CNC(=O)c1cc(cnc1)O MB25513 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.23 CNC(=O)c1cccc(c1)O MB06615 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.23 CNC(=O)c1cccc(n1)Br MB08958 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.23 CNC(=O)c1ccnc(c1)Br MB02752 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.23 COC(=N)c1cccc(c1)Br AB60887 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.23 COC(=N)c1cccc(c1)Cl AB60959 [1,1,0,0,0,0|1,0,0]=3 227 B11R1.23 COC(=N)c1cccc(c1)N AB60976 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.23 COC(=N)c1cccc(c1)O AB60982 [1,1,0,0,0,0|1,0,0]=3 229 B11R1.23 COC(=O)c1cc(ccn1)Br PB30917 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.23 COC(=O)c1cc(ccn1)Cl AB20667 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.23 COC(=O)c1cc(ccn1)Cl PB18698 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.23 COC(=O)c1cc(ccn1)F AB40664 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.23 COC(=O)c1cc(ccn1)O AB65280 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.23 COC(=O)c1cc(cnc1)Br PB10112 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.23 COC(=O)c1cc(cnc1)F PB12769 [1,1,0,0,0,0|1,0,0]=3 236 B11R1.23 COC(=O)c1cc(cnc1)N PB12793 [1,1,0,0,0,0|1,0,0]=3 237 B11R1.23 COC(=O)c1cc(cnc1)O AB04590 [1,1,0,0,0,0|1,0,0]=3 238 B11R1.23 COC(=O)c1cc(ncn1)Br MB14353 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.23 COC(=O)c1cc(nnc1)Cl PB31801 [1,1,0,0,0,0|2,0,0]=4 240 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PB32713 [1,1,0,0,0,0|1,0,0]=3 241 B11R1.23 COC(=O)c1cccc(c1)Cl AB00128 [1,1,0,0,0,0|0,0,0]=2 242 B11R1.23 COC(=O)c1cccc(n1)Br AB23211 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.23 COC(=O)c1cccc(n1)Cl MB00777 [1,1,0,0,0,0|1,0,0]=3 244 B11R1.23 COC(=O)c1cccc(n1)I AB42501 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.23 COC(=O)c1cccc(n1)N PB25993 [1,1,0,0,0,0|1,0,0]=3 246 B11R1.23 COC(=O)c1ccnc(c1)Br AB16210 [1,1,0,0,0,0|1,0,0]=3 247 B11R1.23 COC(=O)c1ccnc(c1)Cl PB12260 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.23 COC(=O)c1ccnc(c1)I AB43759 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.23 COC(=O)c1ccnc(c1)N PB29300 [1,1,0,0,0,0|1,0,0]=3 250 B11R1.23 COC(=O)c1ccnc(n1)Br MB14325 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.23 COC(=O)c1ccnc(n1)Cl PB23898 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.23 COC(=O)c1cncc(n1)Cl PB17754 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.23 COC(=O)c1cncc(n1)N AB60529 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.23 COC(=O)c1nccc(n1)Br MB13584 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.23 Cc1cc(ccn1)C(=O)OC AB55692 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.23 Cc1cc(cnc1)C(=O)OC PB14201 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.23 Cc1cc(ncn1)C(=O)OC PB28486 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB45356 [1,1,0,0,0,0|1,0,1]=4 259 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB48671 [1,1,0,0,0,0|1,0,1]=4 260 B11R1.23 c1cc(cc(c1)Cl)C(=O)C#N MB03014 [1,1,0,0,0,0|1,0,1]=4 261 B11R1.23 c1cc(cc(c1)Cl)C(=O)C=O AB48675 [1,1,0,0,0,0|1,0,1]=4 262 B11R1.23 c1cc(cc(c1)F)C(=O)C=O AB29976 [1,1,0,0,0,0|1,0,1]=4 263 B11R1.23 c1cc(cc(c1)N)C(=O)CBr AB27803 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.23 c1cnc(cc1C(=O)CBr)Cl AB51068 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.36 CN(C)C(=O)c1cccnc1 MB00495 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.222 CCC(=O)c1ccccc1F MB00205 [1,1,0,0,0,0|0,0,0]=2 267 B11R1.222 CNC(=O)c1c(cccn1)O MB12020 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.222 CNC(=O)c1ccccc1O MB00422 [1,1,0,0,0,0|1,0,0]=3 269 B11R1.222 CNC(=O)c1ccncc1O MB25570 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.222 CNC(=O)c1cnccc1O MB38207 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [1,1,0,0,0,0|1,0,0]=3 272 B11R1.222 COC(=N)c1ccccc1F AB60966 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.222 COC(=N)c1ccccc1O AB60984 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.222 COC(=O)c1c(cccn1)Br PB13499 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.222 COC(=O)c1c(cccn1)N AB48413 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.222 COC(=O)c1c(nccn1)Br PB16076 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.222 COC(=O)c1c(nccn1)Cl PB15729 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.222 COC(=O)c1c(nccn1)O AB13230 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.222 COC(=O)c1cccnc1Br AB31400 [1,1,0,0,0,0|1,0,0]=3 280 B11R1.222 COC(=O)c1cccnc1Cl PB12739 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.222 COC(=O)c1cccnc1O AB44640 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.222 COC(=O)c1ccncc1Br PB14358 [1,1,0,0,0,0|1,0,0]=3 283 B11R1.222 COC(=O)c1ccncc1I PB10250 [1,1,0,0,0,0|1,0,0]=3 284 B11R1.222 COC(=O)c1ccncc1N PB21166 [1,1,0,0,0,0|1,0,0]=3 285 B11R1.222 COC(=O)c1cnccc1Cl AB56385 [1,1,0,0,0,0|1,0,0]=3 286 B11R1.222 COC(=O)c1cnccc1F AB70564 [1,1,0,0,0,0|1,0,0]=3 287 B11R1.222 COC(=O)c1cnccc1N PB32232 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.222 COC(=O)c1cncnc1N AB70459 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.222 Cc1c(nccn1)C(=O)OC AB48626 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [1,1,0,0,0,0|0,0,0]=2 291 B11R1.222 Cc1cccnc1C(=O)OC AB16147 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.222 Cc1cnccc1C(=O)OC PB29263 [1,1,0,0,0,0|1,0,0]=3 293 B11R1.222 Cc1cnncc1C(=O)OC PB35502 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.222 c1cc(c(nc1)Cl)C(=O)CBr AB69728 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl MB02595 [1,1,0,0,0,0|1,0,1]=4 296 B11R1.222 c1ccc(c(c1)C(=O)C=O)Cl AB55316 [1,1,0,0,0,0|1,0,1]=4 297 B11R1.222 c1ccc(c(c1)C(=O)C=O)F AB49795 [1,1,0,0,0,0|1,0,1]=4 298 B11R1.28 CNCCCc1ccccc1 AB10671 [1,1,0,0,0,0|1,0,1]=4 299 B11R1.28 c1ccc(cc1)CCCCN AB00942 [1,1,0,0,0,0|1,0,1]=4 300 B11R1.28 c1ccc(cc1)CCCCN AB13248 [1,1,0,0,0,0|1,0,1]=4 301 B11R1.28 c1ccc(cc1)COCCN AB05315 [1,1,0,0,0,0|0,0,1]=3 302 B11R1.28 c1ccc(cc1)NCCCN MB00433 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [1,1,0,0,0,0|1,0,1]=4 304 B11R1.15 CCOC(=O)C1=NC(=CC1)Br MB19810 [0,1,0,0,1,0|1,0,1]=4 305 B11R1.15 CCOC(=O)C1=NC(=CC1)C PB30674 [0,1,0,0,1,0|1,0,1]=4 306 B11R1.15 CCOC(=O)C1=NC(=O)N=C1 AB60597 [0,1,0,0,1,0|2,0,0]=4 307 B11R1.15 CCOC(=O)C1=NC=C(C1)Br AB23243 [0,1,0,0,1,0|1,0,1]=4 308 B11R1.15 CCOC(=O)C1=NC=C(C1)F AB68755 [0,1,0,0,1,0|1,0,1]=4 309 B11R1.15 CCOC(=O)C1=NC=C(C1)N MB07081 [0,1,0,0,1,0|1,0,1]=4 310 B11R1.15 CCOC(=O)c1[nH]c(cn1)C AB53501 [0,1,0,0,1,0|2,0,0]=4 311 B11R1.15 CCOC(=O)c1[nH]cc(n1)Br AB53720 [0,1,0,0,1,0|2,0,0]=4 312 B11R1.15 CCOC(=O)c1[nH]cc(n1)N AB50321 [0,1,0,0,1,0|2,0,0]=4 313 B11R1.15 CCOC(=O)c1[nH]cc(n1)N AB59759 [0,1,0,0,1,0|2,0,0]=4 314 B11R1.15 CCOC(=O)c1cc(cs1)Br AB23220 [0,1,0,0,1,0|1,0,0]=3 315 B11R1.15 CCOC(=O)c1cc(no1)C CB11550 [0,1,0,0,1,0|2,0,0]=4 316 B11R1.15 CCOC(=O)c1cc(on1)C CB10213 [0,1,0,0,1,0|2,0,0]=4 317 B11R1.15 CCOC(=O)c1ccc(o1)Br AB03314 [0,1,0,0,1,0|1,0,0]=3 318 B11R1.15 CCOC(=O)c1ccc(s1)Br AB12313 [0,1,0,0,1,0|1,0,0]=3 319 B11R1.15 CCOC(=O)c1cn(cn1)C PB29816 [0,1,0,0,1,0|2,0,0]=4 320 B11R1.15 CCOC(=O)c1cnc(o1)Br AB51143 [0,1,0,0,1,0|2,0,0]=4 321 B11R1.15 CCOC(=O)c1cnc(o1)C MB09197 [0,1,0,0,1,0|2,0,0]=4 322 B11R1.15 CCOC(=O)c1cnc(o1)Cl AB50633 [0,1,0,0,1,0|2,0,0]=4 323 B11R1.15 CCOC(=O)c1cnc(o1)N AB25588 [0,1,0,0,1,0|2,0,0]=4 324 B11R1.15 CCOC(=O)c1cnc(s1)Br PB30639 [0,1,0,0,1,0|2,0,0]=4 325 B11R1.15 CCOC(=O)c1cnc(s1)C PB30777 [0,1,0,0,1,0|2,0,0]=4 326 B11R1.15 CCOC(=O)c1cnc(s1)Cl AB48458 [0,1,0,0,1,0|2,0,0]=4 327 B11R1.15 CCOC(=O)c1cnc(s1)N MB09023 [0,1,0,0,1,0|2,0,0]=4 328 B11R1.15 CCOC(=O)c1cnc(s1)N PB24672 [0,1,0,0,1,0|2,0,0]=4 329 B11R1.15 CCOC(=O)c1cnn(c1)C PB19235 [0,1,0,0,1,0|2,0,0]=4 330 B11R1.15 CCOC(=O)c1coc(n1)Br PB10713 [0,1,0,0,1,0|2,0,0]=4 331 B11R1.15 CCOC(=O)c1coc(n1)C AB31502 [0,1,0,0,1,0|2,0,0]=4 332 B11R1.15 CCOC(=O)c1coc(n1)Cl PB17369 [0,1,0,0,1,0|2,0,0]=4 333 B11R1.15 CCOC(=O)c1coc(n1)N PB12381 [0,1,0,0,1,0|2,0,0]=4 334 B11R1.15 CCOC(=O)c1csc(n1)Br AB16046 [0,1,0,0,1,0|2,0,0]=4 335 B11R1.15 CCOC(=O)c1csc(n1)N AB06547 [0,1,0,0,1,0|2,0,0]=4 336 B11R1.15 CCOC(=O)c1nc(cs1)Br PB13326 [0,1,0,0,1,0|2,0,0]=4 337 B11R1.15 CCOC(=O)c1ncc(o1)C AB53497 [0,1,0,0,1,0|2,0,0]=4 338 B11R1.15 CCOC(=O)c1ncc(s1)C AB53493 [0,1,0,0,1,0|2,0,0]=4 339 B11R1.199 CCOC(=O)C1=C(N=CC1)N AB55414 [0,1,0,0,1,0|1,0,1]=4 340 B11R1.199 CCOC(=O)C1=NC=CC1C PB29131 [0,1,0,0,1,0|1,0,1]=4 341 B11R1.199 CCOC(=O)C1=NC=CC1F PB32900 [0,1,0,0,1,0|1,0,1]=4 342 B11R1.199 CCOC(=O)C1=NC=CC1N PB10388 [0,1,0,0,1,0|1,0,1]=4 343 B11R1.199 CCOC(=O)c1c(cco1)N AB55412 [0,1,0,0,1,0|1,0,0]=3 344 B11R1.199 CCOC(=O)c1c(ccs1)Br MB03699 [0,1,0,0,1,0|1,0,0]=3 345 B11R1.199 CCOC(=O)c1c(ccs1)N AB55410 [0,1,0,0,1,0|1,0,0]=3 346 B11R1.199 CCOC(=O)c1c(nco1)C AB02449 [0,1,0,0,1,0|2,0,0]=4 347 B11R1.199 CCOC(=O)c1c(ocn1)C AB03428 [0,1,0,0,1,0|2,0,0]=4 348 B11R1.199 CCOC(=O)c1c(scn1)N AB52764 [0,1,0,0,1,0|2,0,0]=4 349 B11R1.199 CCOC(=O)c1ccsc1C AB70575 [0,1,0,0,1,0|1,0,0]=3 350 B11R1.199 CCOC(=O)c1ccsc1N AB09218 [0,1,0,0,1,0|1,0,0]=3 351 B11R1.199 CCOC(=O)c1cncn1C AB23239 [0,1,0,0,1,0|2,0,0]=4 352 B11R1.199 CCOC(=O)c1conc1C AB08180 [0,1,0,0,1,0|2,0,0]=4 353 B13R1.19 CCOC(=O)Cc1ccc(cn1)Br PB32861 [0,1,0,0,0,1|1,0,0]=3 354 B13R1.19 CCOC(=O)Cc1ccc(cn1)C AB62474 [0,1,0,0,0,1|1,0,0]=3 355 B13R1.19 CCOC(=O)Cc1ccc(cn1)Cl AB62485 [0,1,0,0,0,1|1,0,0]=3 356 B13R1.19 CCOC(=O)Cc1ccc(cn1)I PB37907 [0,1,0,0,0,1|1,0,0]=3 357 B13R1.19 CCOC(=O)Cc1ccc(cn1)N PB35666 [0,1,0,0,0,1|1,0,0]=3 358 B13R1.19 CCOC(=O)Cc1ccc(cn1)O PB13946 [0,1,0,0,0,1|1,0,0]=3 359 B13R1.19 CCOC(=O)Cc1ccc(nn1)Cl PB34482 [0,1,0,0,0,1|2,0,0]=4 360 B13R1.19 CCOC(=O)Cc1cnc(cn1)C AB70233 [0,1,0,0,0,1|2,0,0]=4 361 B13R1.19 CCOC(=O)Cc1cnc(cn1)Cl AB70230 [0,1,0,0,0,1|2,0,0]=4 362 B13R1.19 CCOC(=O)Cc1cnc(cn1)N AB70237 [0,1,0,0,0,1|2,0,0]=4 363 B13R1.19 CCOC(=O)Cc1ncc(cn1)Br PB25238 [0,1,0,0,0,1|2,0,0]=4 364 B13R1.19 CCOC(=O)Cc1ncc(cn1)Cl AB58665 [0,1,0,0,0,1|2,0,0]=4 365 B13R1.19 CCOC(=O)Cc1ncc(cn1)F AB68740 [0,1,0,0,0,1|2,0,0]=4 366 B13R1.19 CCOC(=O)Cc1ncc(cn1)N AB59192 [0,1,0,0,0,1|2,0,0]=4 367 B13R1.20 CCOC(=O)Cc1cc(ccn1)Br AB56161 [0,1,0,0,0,1|1,0,0]=3 368 B13R1.20 CCOC(=O)Cc1cc(ccn1)Cl AB62486 [0,1,0,0,0,1|1,0,0]=3 369 B13R1.20 CCOC(=O)Cc1cc(ccn1)F AB73183 [0,1,0,0,0,1|1,0,0]=3 370 B13R1.20 CCOC(=O)Cc1cc(cnc1)F PB16652 [0,1,0,0,0,1|1,0,0]=3 371 B13R1.20 CCOC(=O)Cc1cc(ncn1)C PB27466 [0,1,0,0,0,1|2,0,0]=4 372 B13R1.20 CCOC(=O)Cc1cccc(n1)Br AB56168 [0,1,0,0,0,1|1,0,0]=3 373 B13R1.20 CCOC(=O)Cc1cccc(n1)C AB62471 [0,1,0,0,0,1|1,0,0]=3 374 B13R1.20 CCOC(=O)Cc1cccc(n1)N AB51555 [0,1,0,0,0,1|1,0,0]=3 375 B13R1.20 CCOC(=O)Cc1ccnc(c1)F AB72863 [0,1,0,0,0,1|1,0,0]=3 376 B13R1.20 CCOC(=O)Cc1cncc(n1)Cl AB69951 [0,1,0,0,0,1|2,0,0]=4 377 B13R1.20 CCOC(=O)Cc1nccc(n1)Cl AB58887 [0,1,0,0,0,1|2,0,0]=4 378 B13R1.47 CCOC(=O)C(=O)c1ccccn1 PB27742 [0,1,0,0,0,1|1,0,0]=3 379 B13R1.47 CCOC(=O)C(c1ccccn1)N PB12827 [0,1,0,0,0,1|1,0,0]=3 380 B13R1.470 CCOC(=O)Cc1c(cccn1)C AB62477 [0,1,0,0,0,1|1,0,0]=3 381 B13R1.470 CCOC(=O)Cc1c(cccn1)N AB64428 [0,1,0,0,0,1|1,0,0]=3 382 B13R1.470 CCOC(=O)Cc1c(nccn1)Cl AB70725 [0,1,0,0,0,1|2,0,0]=4 383 B13R1.470 CCOC(=O)Cc1ccccc1Cl AB50422 [0,1,0,0,0,1|0,0,0]=2 384 B13R1.470 CCOC(=O)Cc1ccccc1N AB06648 [0,1,0,0,0,1|0,0,0]=2 385 B13R1.470 CCOC(=O)Cc1ccccc1N AB26285 [0,1,0,0,0,1|0,0,0]=2 386 B13R1.470 CCOC(=O)Cc1cccnc1Cl PB27136 [0,1,0,0,0,1|1,0,0]=3 387 B13R1.470 CCOC(=O)Cc1ccncc1N AB64424 [0,1,0,0,0,1|1,0,0]=3 388 B13R1.21 CN(C(=O)c1ccc(cc1)F)OC MB02288 [0,2,0,0,0,0|2,0,0]=4 389 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)Br AB08383 [0,2,0,0,0,0|2,0,0]=4 390 B13R1.452 CCOC(=O)c1ccc(cn1)CCl AB59954 [0,2,0,0,0,0|1,0,0]=3 391 B13R1.452 CCOC(=O)c1ccc(nc1)CCl AB59997 [0,2,0,0,0,0|1,0,0]=3 392 B13R1.452 CCOC(=O)c1cnc(nc1)CCl AB59411 [0,2,0,0,0,0|2,0,0]=4 393 B13R1.452 CCOC(=O)c1cnc(nc1)CN AB63382 [0,2,0,0,0,0|2,0,0]=4 394 B13R1.452 CCOC(=O)c1cnc(nc1)SC PB17441 [0,2,0,0,0,0|2,0,0]=4 395 B13R1.452 CCOC(=O)c1ncc(cn1)CCl AB58925 [0,2,0,0,0,0|2,0,0]=4 396 B13R1.466 CCOC(=O)c1cc(c(cn1)N)Cl AB69460 [0,2,0,0,0,0|1,0,0]=3 397 B13R1.466 CCOC(=O)c1cc(c(cn1)N)N AB66689 [0,2,0,0,0,0|1,0,0]=3 398 B13R1.466 CCOC(=O)c1cc(c(cn1)N)O AB69458 [0,2,0,0,0,0|1,0,0]=3 399 B13R1.466 CCOC(=O)c1cc(c(nc1)C)N PB30308 [0,2,0,0,0,0|1,0,0]=3 400 B13R1.466 CCOC(=O)c1cc(c(nc1)N)Br AB26572 [0,2,0,0,0,0|1,0,0]=3 401 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)C MB09092 [0,2,0,0,0,0|0,0,0]=2 402 B13R1.466 CCOC(=O)c1ccc(c(c1)F)Br MB07616 [0,2,0,0,0,0|0,0,0]=2 403 B13R1.466 CCOC(=O)c1ccc(c(n1)Cl)N AB73357 [0,2,0,0,0,0|1,0,0]=3 404 B13R1.466 CCOC(=O)c1ccc(c(n1)F)Cl AB70576 [0,2,0,0,0,0|1,0,0]=3 405 B13R1.466 CCOC(=O)c1ccc(c(n1)F)F AB70572 [0,2,0,0,0,0|1,0,0]=3 406 B13R1.466 CCOC(=O)c1ccc(c(n1)N)N AB73342 [0,2,0,0,0,0|1,0,0]=3 407 B13R1.466 CCOC(=O)c1cnc(c(n1)C)C AB77033 [0,2,0,0,0,0|2,0,0]=4 408 B13R1.466 CNCC(=O)c1ccc(c(c1)O)O AB06968 [0,2,0,0,0,0|2,0,0]=4 409 B13R1.466 CONC(=O)c1ccc(c(c1)N)F AB63530 [0,2,0,0,0,0|2,0,0]=4 410 B13R1.466 Cc1ccc(cc1N)C(=O)NOC AB65706 [0,2,0,0,0,0|2,0,0]=4 411 B13R1.466 Cc1ccc(cc1O)C(=O)NOC AB63537 [0,2,0,0,0,0|2,0,0]=4 412 B13R1.1511 CCOC(=O)c1c(cc(cn1)N)Cl AB73531 [0,2,0,0,0,0|1,0,0]=3 413 B13R1.1511 CCOC(=O)c1c(nc(cn1)C)O AB48563 [0,2,0,0,0,0|2,0,0]=4 414 B13R1.1511 CCOC(=O)c1c(nc(cn1)Cl)Cl AB70726 [0,2,0,0,0,0|2,0,0]=4 415 B13R1.1511 CCOC(=O)c1c(nc(cn1)Cl)N AB85378 [0,2,0,0,0,0|2,0,0]=4 416 B13R1.1511 CCOC(=O)c1ccc(cc1F)Cl MB02655 [0,2,0,0,0,0|0,0,0]=2 417 B13R1.1511 CCOC(=O)c1ccc(cc1F)N MB06864 [0,2,0,0,0,0|0,0,0]=2 418 B13R1.1511 CCOC(=O)c1ccc(cc1N)F AB44538 [0,2,0,0,0,0|0,0,0]=2 419 B13R1.1511 CCOC(=O)c1ccc(nc1C)Br AB69337 [0,2,0,0,0,0|1,0,0]=3 420 B13R1.1511 CCOC(=O)c1ccc(nc1C)C AB13966 [0,2,0,0,0,0|1,0,0]=3 421 B13R1.1511 CCOC(=O)c1ccc(nc1C)Cl AB64413 [0,2,0,0,0,0|1,0,0]=3 422 B13R1.1511 CCOC(=O)c1ccc(nc1C)O AB55501 [0,2,0,0,0,0|1,0,0]=3 423 B13R1.1511 CCOC(=O)c1ccc(nc1O)C AB06111 [0,2,0,0,0,0|1,0,0]=3 424 B13R1.1511 CCOC(=O)c1cnc(cc1Cl)Cl AB05228 [0,2,0,0,0,0|1,0,0]=3 425 B13R1.1511 CCOC(=O)c1cnc(cc1N)Br AB72391 [0,2,0,0,0,0|1,0,0]=3 426 B13R1.1511 CCOC(=O)c1cnc(cc1O)O AB07410 [0,2,0,0,0,0|1,0,0]=3 427 B13R1.1511 CCOC(=O)c1cnc(nc1C)O AB10488 [0,2,0,0,0,0|2,0,0]=4 428 B13R1.1511 CCOC(=O)c1cnc(nc1Cl)C PB31058 [0,2,0,0,0,0|2,0,0]=4 429 B13R1.1511 CCOC(=O)c1cnc(nc1Cl)Cl PB28096 [0,2,0,0,0,0|2,0,0]=4 430 B13R1.1511 CCOC(=O)c1cnc(nc1N)N AB21343 [0,2,0,0,0,0|2,0,0]=4 431 B13R1.1511 CCOC(=O)c1cnc(nc1O)C AB04978 [0,2,0,0,0,0|2,0,0]=4 432 B13R1.12 CCOC(=O)c1c(c(ncn1)C)Br AB85273 [0,2,0,0,0,0|2,0,0]=4 433 B13R1.12 CCOC(=O)c1c(c(ncn1)Cl)Br PB21455 [0,2,0,0,0,0|2,0,0]=4 434 B13R1.12 CCOC(=O)c1c(c(ncn1)Cl)N AB85265 [0,2,0,0,0,0|2,0,0]=4 435 B13R1.12 CCOC(=O)c1cccc(c1Cl)F MB08447 [0,2,0,0,0,0|0,0,0]=2 436 B13R1.12 CCOC(=O)c1cccc(c1I)Cl AB69241 [0,2,0,0,0,0|0,0,0]=2 437 B13R1.12 CCOC(=O)c1ccnc(c1C)C AB63644 [0,2,0,0,0,0|1,0,0]=3 438 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Br AB30831 [0,2,0,0,0,0|2,0,0]=4 439 B13R1.30 CCNS(=O)(=O)c1cccc(c1)N AB30827 [0,2,0,0,0,0|2,0,0]=4 440 B13R1.446 CCOC(=O)c1c(ccc(n1)Br)N AB64492 [0,2,0,0,0,0|1,0,0]=3 441 B13R1.446 CCOC(=O)c1c(ccc(n1)C)N PB24389 [0,2,0,0,0,0|1,0,0]=3 442 B13R1.446 CCOC(=O)c1c(ccc(n1)Cl)N AB51411 [0,2,0,0,0,0|1,0,0]=3 443 B13R1.446 CCOC(=O)c1c(cnc(n1)C)Br AB66447 [0,2,0,0,0,0|2,0,0]=4 444 B13R1.446 CCOC(=O)c1c(cnc(n1)C)Cl AB71474 [0,2,0,0,0,0|2,0,0]=4 445 B13R1.446 CCOC(=O)c1c(cnc(n1)C)N AB85264 [0,2,0,0,0,0|2,0,0]=4 446 B13R1.446 CCOC(=O)c1c(cnc(n1)Cl)Br AB85260 [0,2,0,0,0,0|2,0,0]=4 447 B13R1.446 CCOC(=O)c1c(ncc(n1)Br)N AB70536 [0,2,0,0,0,0|2,0,0]=4 448 B13R1.446 CCOC(=O)c1c(ncc(n1)C)C AB77039 [0,2,0,0,0,0|2,0,0]=4 449 B13R1.446 CCOC(=O)c1c(ncc(n1)Cl)N AB71825 [0,2,0,0,0,0|2,0,0]=4 450 B13R1.446 CCOC(=O)c1cc(ccc1N)F AB62852 [0,2,0,0,0,0|0,0,0]=2 451 B13R1.446 CCOC(=O)c1cc(ccc1N)O MB09082 [0,2,0,0,0,0|0,0,0]=2 452 B13R1.446 CCOC(=O)c1cc(ccc1O)N MB09086 [0,2,0,0,0,0|0,0,0]=2 453 B13R1.446 CCOC(=O)c1cc(cnc1C)Br PB25303 [0,2,0,0,0,0|1,0,0]=3 454 B13R1.446 CCOC(=O)c1cc(cnc1C)C AB70789 [0,2,0,0,0,0|1,0,0]=3 455 B13R1.446 CCOC(=O)c1cc(cnc1C)Cl AB62423 [0,2,0,0,0,0|1,0,0]=3 456 B13R1.446 CCOC(=O)c1cc(cnc1C)F AB66450 [0,2,0,0,0,0|1,0,0]=3 457 B13R1.446 CCOC(=O)c1cc(cnc1C)N AB54774 [0,2,0,0,0,0|1,0,0]=3 458 B13R1.446 CCOC(=O)c1cc(cnc1Cl)F PB34093 [0,2,0,0,0,0|1,0,0]=3 459 B13R1.446 CCOC(=O)c1cc(cnc1N)C AB71290 [0,2,0,0,0,0|1,0,0]=3 460 B13R1.446 CCOC(=O)c1cc(cnc1O)C AB71292 [0,2,0,0,0,0|1,0,0]=3 461 B13R1.446 CCOC(=O)c1cc(nnc1Cl)Cl AB48559 [0,2,0,0,0,0|2,0,0]=4 462 B13R1.450 CCOC(=O)c1cc(cc(c1)F)N MB03645 [0,2,0,0,0,0|0,0,0]=2 463 B13R1.450 CCOC(=O)c1cc(nc(n1)Cl)C AB06658 [0,2,0,0,0,0|2,0,0]=4 464 B13R1.450 CCOC(=O)c1cc(nc(n1)Cl)Cl AB62938 [0,2,0,0,0,0|2,0,0]=4 465 B13R1.450 CCOC(=O)c1cc(nc(n1)N)Cl AB71478 [0,2,0,0,0,0|2,0,0]=4 466 B13R1.450 CCOC(=O)c1cc(nc(n1)O)C AB06655 [0,2,0,0,0,0|2,0,0]=4 467 B13R1.450 CCOC(=O)c1cc(nc(n1)O)O AB66057 [0,2,0,0,0,0|2,0,0]=4 468 B13R1.450 CCOC(=O)c1cc(nc(n1)S)O AB03554 [0,2,0,0,0,0|2,0,0]=4 469 B13R1.460 CCOC(=O)c1cc(ccn1)CCl AB59913 [0,2,0,0,0,0|1,0,0]=3 470 B13R1.460 CCOC(=O)c1cc(cnc1)C=O AB71953 [0,2,0,0,0,0|1,0,0]=3 471 B13R1.460 CCOC(=O)c1cc(ncn1)C=O AB58748 [0,2,0,0,0,0|2,0,0]=4 472 B13R1.460 CCOC(=O)c1cc(ncn1)CN AB58798 [0,2,0,0,0,0|2,0,0]=4 473 B13R1.460 CCOC(=O)c1cccc(c1)NN AB21773 [0,2,0,0,0,0|0,0,0]=2 474 B13R1.460 CCOC(=O)c1cccc(n1)CCl AB53929 [0,2,0,0,0,0|1,0,0]=3 475 B13R1.460 CCOC(=O)c1ccnc(c1)CCl AB60012 [0,2,0,0,0,0|1,0,0]=3 476 B13R1.460 CCOC(=O)c1ccnc(n1)CCl AB59399 [0,2,0,0,0,0|2,0,0]=4 477 B13R1.460 CCOC(=O)c1ccnc(n1)CN AB63360 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.460 CCOC(=O)c1nccc(n1)CCl AB58957 [0,2,0,0,0,0|2,0,0]=4 479 B13R1.674 Cc1ccccc1C(=O)CCCCl AB16779 [0,2,0,0,0,0|1,0,0]=3 480 B13R1.86 CCN(CC)C(=O)c1cccnc1 MB00187 [0,2,0,0,0,0|2,0,0]=4 481 B13R1.696 Cc1ccccc1C(=O)C(=O)OC CB10469 [0,2,0,0,0,0|2,0,0]=4 482 B13R1.464 CCOC(=N)c1ccccc1C#N AB44620 [0,2,0,0,0,0|1,0,0]=3 483 B13R1.464 CCOC(=O)c1c(cccn1)C#N AB31814 [0,2,0,0,0,0|1,0,0]=3 484 B13R1.464 CCOC(=O)c1c(cccn1)CCl AB60067 [0,2,0,0,0,0|1,0,0]=3 485 B13R1.464 CCOC(=O)c1cccnc1C#N AB31816 [0,2,0,0,0,0|1,0,0]=3 486 B13R1.464 CCOC(=O)c1cccnc1CBr MB09775 [0,2,0,0,0,0|1,0,0]=3 487 B13R1.464 CCOC(=O)c1cccnc1CBr MB09844 [0,2,0,0,0,0|1,0,0]=3 488 B13R1.464 CCOC(=O)c1cccnc1CCl AB60060 [0,2,0,0,0,0|1,0,0]=3 489 B13R1.464 CCOC(=O)c1ccncc1CCl AB60086 [0,2,0,0,0,0|1,0,0]=3 490 B13R1.464 CCOC(=O)c1cnccc1C#N AB76338 [0,2,0,0,0,0|1,0,0]=3 491 B13R1.4453 CCOC(=O)c1c(cccc1Br)C MB09088 [0,2,0,0,0,0|0,0,0]=2 492 B13R1.4453 CCOC(=O)c1c(cccc1Cl)F MB03694 [0,2,0,0,0,0|0,0,0]=2 493 B13R1.4453 CCOC(=O)c1c(cccc1Cl)N AB44536 [0,2,0,0,0,0|0,0,0]=2 494 B13R1.4453 CCOC(=O)c1c(nccc1Br)C AB71924 [0,2,0,0,0,0|1,0,0]=3 495 B13R1.4453 CCOC(=O)c1c(nccc1F)C AB71922 [0,2,0,0,0,0|1,0,0]=3 496 B13R1.4453 CCOC(=O)c1c(ncnc1C)C AB43128 [0,2,0,0,0,0|2,0,0]=4 497 B11R1.41 CCOc1c(cccn1)C=O AB30394 [0,0,1,1,0,0|2,0,0]=4 498 B11R2.1 B1(c2ccccc2CO1)O AB08148 [1,0,0,1,0,0|1,0,1]=4 499 B11R2.1 CN1CCc2c1cccc2 MB02030 [1,0,0,1,0,0|2,0,0]=4 500 B11R2.1 c1cc2c(nc1)C(=O)OC2 AB66596 [1,0,0,1,0,0|1,0,0]=3 501 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [1,0,0,1,0,0|1,0,0]=3 502 B11R2.1 c1cc2c(nc1)OCC2=O AB70107 [1,0,0,1,0,0|2,0,0]=4 503 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [1,0,0,1,0,0|1,0,0]=3 504 B11R2.1 c1ccc2c(c1)C(=O)N=N2 MB00163 [1,0,0,1,0,0|2,0,0]=4 505 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [1,0,0,1,0,0|1,0,1]=4 506 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [1,0,0,1,0,0|2,0,0]=4 507 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [1,0,0,1,0,0|1,0,1]=4 508 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [1,0,0,1,0,0|1,0,1]=4 509 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [1,0,0,1,0,0|1,0,0]=3 510 B11R2.1 c1cncc2c1C(=O)NC2 AB66595 [1,0,0,1,0,0|2,0,0]=4 511 B11R2.1 c1cncc2c1CNC2=O PB33122 [1,0,0,1,0,0|2,0,0]=4 512 B11R2.40 c1ccc(cc1)C2(CC2)N AB22505 [1,0,0,1,0,0|1,0,1]=4 513 B11R2.20 c1ccc2c(c1)CCN=C2 AB01545 [1,0,0,1,0,0|1,0,0]=3 514 B11R2.106 C1COC(=O)C2=CN=CC21 AB50248 [0,0,0,1,1,0|1,0,1]=4 515 B11R2.106 c1cc2n(c1)CCNC2=O AB52677 [0,0,0,1,1,0|2,0,0]=4 516 B11R2.106 c1coc2c1C(=O)CCC2 AB04875 [0,0,0,1,1,0|2,0,0]=4 517 B11R2.106 c1csc2c1C(=O)CCC2 PB11579 [0,0,0,1,1,0|2,0,0]=4 518 B11R2.106 c1csc2c1CCNC2=O MB14511 [0,0,0,1,1,0|2,0,0]=4 519 B13R2.15 c1cnccc1N2CCNC2=O AB22445 [0,0,0,1,0,1|2,0,0]=4 520 B13R2.135 c1ccc2c(c1)C(C(=O)N2)CN AB28484 [0,0,0,1,0,1|2,0,0]=4 521 B13R2.163 c1ccc2c(c1)CCNC(=O)C2 MB01179 [0,0,0,1,0,1|1,0,0]=3 522 B13R2.163 c1ccc2c(c1)CCNC(=O)N2 AB65832 [0,0,0,1,0,1|1,0,0]=3 523 B13R2.328 CC1CC(=O)Nc2c1cccc2 MB08925 [0,0,0,1,0,1|1,0,0]=3 524 B13R2.328 CN1CC(=O)Nc2c1cccc2 MB12301 [0,0,0,1,0,1|2,0,0]=4 525 B13R2.3 B1(OCCCO1)c2ccccc2 AB02862 [0,1,0,1,0,0|1,0,1]=4 526 B13R2.3 c1ccc(cc1)C2=CCOCC2 PB15368 [0,1,0,1,0,0|2,0,0]=4 527 B13R2.3 c1ccc(cc1)C2CNCCO2 AB09828 [0,1,0,1,0,0|1,0,1]=4 528 B13R2.3 c1ccc(cc1)C2COCCN2 AB50984 [0,1,0,1,0,0|1,0,1]=4 529 B13R2.3 c1ccc(cc1)[C@H]2COCCN2 AB62678 [0,1,0,1,0,0|1,0,1]=4 530 B13R2.1613 COC1=NCCc2c1cccc2 AB52999 [0,1,0,1,0,0|1,0,1]=4 531 B13R2.2931 CCn1c2ccccc2c(n1)C MB69284 [0,1,0,1,0,0|2,0,0]=4 532 B13R2.2931 Cn1c2ccccc2c(n1)C=O PB10491 [0,1,0,1,0,0|2,0,0]=4 533 B13R2.12 B1(OCCO1)c2ccc(cc2)F AB29549 [0,1,0,1,0,0|1,0,1]=4 534 B13R2.12 c1cc(ccc1C2=NCCO2)Br MB01248 [0,1,0,1,0,0|1,0,0]=3 535 B13R2.5179 Cc1cc2c(cn1)C(=O)NCC2 AB77260 [0,1,0,1,0,0|2,0,0]=4 536 B13R2.5179 Cc1cc2c(nc1)C(=O)CCC2 AB68943 [0,1,0,1,0,0|2,0,0]=4 537 B13R2.5179 Cc1ccc2c(c1)CCCC2=O MB00436 [0,1,0,1,0,0|1,0,0]=3 538 B13R2.5179 Cc1ccc2c(c1)NCCC2=O AB60321 [0,1,0,1,0,0|2,0,0]=4 539 B13R2.5179 Cc1ccc2c(c1)OCCC2=O MB00918 [0,1,0,1,0,0|2,0,0]=4 540 B13R2.5179 Cc1ccc2c(n1)CCCC2=O AB68917 [0,1,0,1,0,0|2,0,0]=4 541 B13R2.5179 Cc1ccc2c(n1)CCNC2=O AB73810 [0,1,0,1,0,0|2,0,0]=4 542 B13R2.5179 c1c(cnc2c1CCCC2=O)Br AB68947 [0,1,0,1,0,0|2,0,0]=4 543 B13R2.5179 c1c(cnc2c1CCCC2=O)Cl AB68944 [0,1,0,1,0,0|2,0,0]=4 544 B13R2.5179 c1c(cnc2c1CCCC2=O)O AB68954 [0,1,0,1,0,0|2,0,0]=4 545 B13R2.5179 c1c2c(cnc1Br)C(=O)NCC2 AB73831 [0,1,0,1,0,0|2,0,0]=4 546 B13R2.5179 c1c2c(cnc1Cl)C(=O)NCC2 AB73829 [0,1,0,1,0,0|2,0,0]=4 547 B13R2.5179 c1cc(nc2c1C(=O)CCC2)Cl AB48385 [0,1,0,1,0,0|2,0,0]=4 548 B13R2.5179 c1cc(nc2c1C(=O)CCC2)O AB62940 [0,1,0,1,0,0|2,0,0]=4 549 B13R2.5179 c1cc(nc2c1C(=O)NCC2)Br AB73808 [0,1,0,1,0,0|2,0,0]=4 550 B13R2.5179 c1cc(nc2c1C(=O)NCC2)Cl AB71448 [0,1,0,1,0,0|2,0,0]=4 551 B13R2.5179 c1cc(nc2c1C(=O)NCC2)F AB73824 [0,1,0,1,0,0|2,0,0]=4 552 B13R2.5179 c1cc2c(cc1Br)CCCC2=O AB18188 [0,1,0,1,0,0|1,0,0]=3 553 B13R2.5179 c1cc2c(cc1Br)CCNC2=O PB27642 [0,1,0,1,0,0|1,0,0]=3 554 B13R2.5179 c1cc2c(cc1Br)OCCC2=O MB07538 [0,1,0,1,0,0|2,0,0]=4 555 B13R2.5179 c1cc2c(cc1Cl)CCCC2=O AB18184 [0,1,0,1,0,0|1,0,0]=3 556 B13R2.5179 c1cc2c(cc1Cl)CCNC2=O AB19131 [0,1,0,1,0,0|1,0,0]=3 557 B13R2.5179 c1cc2c(cc1Cl)NCCC2=O AB07151 [0,1,0,1,0,0|2,0,0]=4 558 B13R2.5179 c1cc2c(cc1Cl)OCCC2=O MB07535 [0,1,0,1,0,0|2,0,0]=4 559 B13R2.5179 c1cc2c(cc1F)CCCC2=O AB49348 [0,1,0,1,0,0|1,0,0]=3 560 B13R2.5179 c1cc2c(cc1F)CCNC2=O AB19126 [0,1,0,1,0,0|1,0,0]=3 561 B13R2.5179 c1cc2c(cc1F)NCCC2=O AB66651 [0,1,0,1,0,0|2,0,0]=4 562 B13R2.5179 c1cc2c(cc1N)CCCC2=O MB00658 [0,1,0,1,0,0|1,0,0]=3 563 B13R2.5179 c1cc2c(cc1N)NCCC2=O AB60329 [0,1,0,1,0,0|2,0,0]=4 564 B13R2.5179 c1cc2c(cc1O)CCCC2=O MB00784 [0,1,0,1,0,0|1,0,0]=3 565 B13R2.5187 c1cc2c(cc1Br)C(=O)OC2=O PB33839 [0,1,0,1,0,0|1,0,1]=4 566 B13R2.5187 c1cc2c(cc1Br)C(NC2=O)O AB50380 [0,1,0,1,0,0|2,0,0]=4 567 B13R2.13 c1cc(cc(c1)Br)C2OCCO2 AB00303 [0,1,0,1,0,0|0,0,2]=4 568 B13R2.13 c1cc(cc(c1)N)C2OCCO2 AB05573 [0,1,0,1,0,0|0,0,2]=4 569 B13R2.162 Cc1cc2c(cn1)CCNC2=O AB77243 [0,1,0,1,0,0|2,0,0]=4 570 B13R2.162 Cc1cc2c(nc1)CCCC2=O AB08509 [0,1,0,1,0,0|2,0,0]=4 571 B13R2.162 Cc1ccc2c(c1)C(=O)CCC2 MB00615 [0,1,0,1,0,0|1,0,0]=3 572 B13R2.162 Cc1ccc2c(c1)C(=O)CCN2 AB06464 [0,1,0,1,0,0|2,0,0]=4 573 B13R2.162 Cc1ccc2c(c1)C(=O)NCC2 AB19138 [0,1,0,1,0,0|1,0,0]=3 574 B13R2.162 Cc1ccc2c(n1)C(=O)NCC2 AB77456 [0,1,0,1,0,0|2,0,0]=4 575 B13R2.162 c1c(cnc2c1C(=O)CCC2)Br AB57075 [0,1,0,1,0,0|2,0,0]=4 576 B13R2.162 c1c(cnc2c1C(=O)CCC2)Cl AB57067 [0,1,0,1,0,0|2,0,0]=4 577 B13R2.162 c1c(cnc2c1C(=O)CCC2)F AB57079 [0,1,0,1,0,0|2,0,0]=4 578 B13R2.162 c1c(cnc2c1C(=O)NCC2)Br AB71848 [0,1,0,1,0,0|2,0,0]=4 579 B13R2.162 c1c(cnc2c1C(=O)NCC2)Cl AB73811 [0,1,0,1,0,0|2,0,0]=4 580 B13R2.162 c1c(cnc2c1C(=O)NCC2)F AB73814 [0,1,0,1,0,0|2,0,0]=4 581 B13R2.162 c1c(cnc2c1C(=O)NCC2)N AB71845 [0,1,0,1,0,0|2,0,0]=4 582 B13R2.162 c1c2c(cnc1Br)CCNC2=O AB77237 [0,1,0,1,0,0|2,0,0]=4 583 B13R2.162 c1c2c(cnc1Cl)CCNC2=O AB77235 [0,1,0,1,0,0|2,0,0]=4 584 B13R2.162 c1c2c(cnc1F)CCNC2=O AB77245 [0,1,0,1,0,0|2,0,0]=4 585 B13R2.162 c1cc(nc2c1CCCC2=O)Br AB74047 [0,1,0,1,0,0|2,0,0]=4 586 B13R2.162 c1cc(nc2c1CCCC2=O)Cl AB68916 [0,1,0,1,0,0|2,0,0]=4 587 B13R2.162 c1cc(nc2c1CCNC2=O)Cl AB76635 [0,1,0,1,0,0|2,0,0]=4 588 B13R2.162 c1cc2c(cc1Br)C(=O)CCC2 AB11079 [0,1,0,1,0,0|1,0,0]=3 589 B13R2.162 c1cc2c(cc1Br)C(=O)CCN2 AB06523 [0,1,0,1,0,0|2,0,0]=4 590 B13R2.162 c1cc2c(cc1Br)C(=O)CCO2 AB06437 [0,1,0,1,0,0|2,0,0]=4 591 B13R2.162 c1cc2c(cc1Br)C(=O)NCC2 AB45191 [0,1,0,1,0,0|1,0,0]=3 592 B13R2.162 c1cc2c(cc1Cl)C(=O)CCC2 AB10540 [0,1,0,1,0,0|1,0,0]=3 593 B13R2.162 c1cc2c(cc1Cl)C(=O)CCN2 AB52856 [0,1,0,1,0,0|2,0,0]=4 594 B13R2.162 c1cc2c(cc1Cl)C(=O)CCO2 AB01419 [0,1,0,1,0,0|2,0,0]=4 595 B13R2.162 c1cc2c(cc1Cl)C(=O)NCC2 AB19145 [0,1,0,1,0,0|1,0,0]=3 596 B13R2.162 c1cc2c(cc1F)C(=O)CCC2 AB41848 [0,1,0,1,0,0|1,0,0]=3 597 B13R2.162 c1cc2c(cc1F)C(=O)CCN2 AB52852 [0,1,0,1,0,0|2,0,0]=4 598 B13R2.162 c1cc2c(cc1F)C(=O)CCO2 AB01746 [0,1,0,1,0,0|2,0,0]=4 599 B13R2.162 c1cc2c(cc1F)C(=O)NCC2 AB19156 [0,1,0,1,0,0|1,0,0]=3 600 B13R2.162 c1cc2c(cc1I)C(=O)CCC2 MB05367 [0,1,0,1,0,0|1,0,0]=3 601 B13R2.162 c1cc2c(cc1I)C(=O)CCN2 AB52855 [0,1,0,1,0,0|2,0,0]=4 602 B13R2.162 c1cc2c(cc1I)C(=O)CCO2 AB08840 [0,1,0,1,0,0|2,0,0]=4 603 B13R2.162 c1cc2c(cc1N)C(=O)CCC2 MB04515 [0,1,0,1,0,0|1,0,0]=3 604 B13R2.162 c1cc2c(cc1N)C(=O)NCC2 AB45199 [0,1,0,1,0,0|1,0,0]=3 605 B13R2.162 c1cc2c(cc1O)C(=O)CCC2 MB01768 [0,1,0,1,0,0|1,0,0]=3 606 B13R2.162 c1cc2c(cc1O)C(=O)NCC2 AB19148 [0,1,0,1,0,0|1,0,0]=3 607 B13R2.342 Cc1cccc2c1CCCC2=O MB05378 [0,1,0,1,0,0|1,0,0]=3 608 B13R2.342 c1c2c(c(cn1)Br)CCNC2=O AB73838 [0,1,0,1,0,0|2,0,0]=4 609 B13R2.342 c1c2c(c(cn1)Cl)CCNC2=O AB73841 [0,1,0,1,0,0|2,0,0]=4 610 B13R2.342 c1cc2c(c(c1)Br)CCCC2=O AB11083 [0,1,0,1,0,0|1,0,0]=3 611 B13R2.342 c1cc2c(c(c1)Br)CCNC2=O AB64743 [0,1,0,1,0,0|1,0,0]=3 612 B13R2.342 c1cc2c(c(c1)Br)NCCC2=O AB52854 [0,1,0,1,0,0|2,0,0]=4 613 B13R2.342 c1cc2c(c(c1)Cl)CCCC2=O AB45800 [0,1,0,1,0,0|1,0,0]=3 614 B13R2.342 c1cc2c(c(c1)Cl)CCNC2=O AB19152 [0,1,0,1,0,0|1,0,0]=3 615 B13R2.342 c1cc2c(c(c1)Cl)NCCC2=O AB06526 [0,1,0,1,0,0|2,0,0]=4 616 B13R2.342 c1cc2c(c(c1)F)CCCC2=O AB43579 [0,1,0,1,0,0|1,0,0]=3 617 B13R2.342 c1cc2c(c(c1)F)CCNC2=O AB19155 [0,1,0,1,0,0|1,0,0]=3 618 B13R2.342 c1cc2c(c(c1)I)NCCC2=O AB43972 [0,1,0,1,0,0|2,0,0]=4 619 B13R2.342 c1cc2c(c(c1)N)CCCC2=O MB05790 [0,1,0,1,0,0|1,0,0]=3 620 B13R2.342 c1cc2c(c(c1)N)CCNC2=O AB53700 [0,1,0,1,0,0|1,0,0]=3 621 B13R2.342 c1cc2c(c(c1)N)CCNC2=O MB05527 [0,1,0,1,0,0|1,0,0]=3 622 B13R2.342 c1cc2c(c(c1)O)CCCC2=O MB00107 [0,1,0,1,0,0|1,0,0]=3 623 B13R2.342 c1cnc(c2c1C(=O)NCC2)Br AB77228 [0,1,0,1,0,0|2,0,0]=4 624 B13R2.342 c1cnc(c2c1C(=O)NCC2)Cl AB77225 [0,1,0,1,0,0|2,0,0]=4 625 B13R2.342 c1cnc2c(c1Br)CCCC2=O AB68951 [0,1,0,1,0,0|2,0,0]=4 626 B13R2.342 c1cnc2c(c1Cl)CCCC2=O AB68950 [0,1,0,1,0,0|2,0,0]=4 627 B13R2.4857 c1cc2c(c(c1)N)C(NC2=O)O AB63853 [0,1,0,1,0,0|2,0,0]=4 628 B13R2.371 CC1CNC(=O)c2c1cccc2 AB19151 [0,1,0,1,0,0|1,0,0]=3 629 B13R2.371 Cc1c2ccccc2c(=O)[nH]n1 MB00345 [0,1,0,1,0,0|1,0,1]=4 630 B13R2.5252 c1ccc2c(c1)C(=O)CCCN2 AB14874 [0,1,0,1,0,0|1,0,0]=3 631 B13R2.5252 c1ccc2c(c1)CCCNC2=O AB19134 [0,1,0,1,0,0|1,0,0]=3 632 B13R2.5252 c1ccc2c(c1)CCCOC2=O AB65833 [0,1,0,1,0,0|0,0,0]=2 633 B13R2.12159 CC1(c2ccccc2C(=O)N1)C PB38777 [0,1,0,1,0,0|1,0,0]=3 634 B13R2.12159 CC1(c2ccccc2C(=O)O1)C AB04969 [0,1,0,1,0,0|0,0,0]=2 635 B13R2.12159 c1ccc2c(c1)C(=O)OI2(=O)O AB12727 [0,1,0,1,0,0|2,0,0]=4 636 B13R2.4818 Cc1cccc2c1C(=O)CCN2 AB60322 [0,1,0,1,0,0|2,0,0]=4 637 B13R2.4818 c1cc2c(c(c1)Br)C(=O)NCC2 AB65453 [0,1,0,1,0,0|1,0,0]=3 638 B13R2.4818 c1cc2c(c(c1)Cl)C(=O)CCC2 CB10954 [0,1,0,1,0,0|1,0,0]=3 639 B13R2.4818 c1cc2c(c(c1)Cl)C(=O)CCN2 AB60319 [0,1,0,1,0,0|2,0,0]=4 640 B13R2.4818 c1cc2c(c(c1)N)C(=O)CCC2 MB05386 [0,1,0,1,0,0|1,0,0]=3 641 B13R2.4818 c1cc2c(c(c1)N)C(=O)NCC2 AB73861 [0,1,0,1,0,0|1,0,0]=3 642 B13R2.4818 c1cnc(c2c1CCNC2=O)Br AB77265 [0,1,0,1,0,0|2,0,0]=4 643 B13R2.4818 c1cnc(c2c1CCNC2=O)Cl AB76695 [0,1,0,1,0,0|2,0,0]=4 644 B9R1.11 COC(=O)C1=CN=CC1 AB07842 [1,0,0,0,1,0|1,0,1]=4 645 B9R1.11 COC(=O)c1[nH]ccn1 PB18713 [1,0,0,0,1,0|2,0,0]=4 646 B9R1.11 COC(=O)c1ccsc1 PB18711 [1,0,0,0,1,0|1,0,0]=3 647 B9R1.11 COC(=O)c1cncs1 AB16044 [1,0,0,0,1,0|2,0,0]=4 648 B9R1.11 COC(=O)c1cnoc1 AB39248 [1,0,0,0,1,0|2,0,0]=4 649 B9R1.11 COC(=O)c1cscn1 AB25133 [1,0,0,0,1,0|2,0,0]=4 650 B9R1.11 COC(=O)c1ncco1 AB42108 [1,0,0,0,1,0|2,0,0]=4 651 B9R1.11 c1cc(sc1)C(=O)O[Cu] AB11500 [1,0,0,0,1,0|2,0,0]=4