0 B12R2.1081 Cc1cccc2c1cncc2 MB06665 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.1081 Cc1ccnc2c1cccn2 CB10327 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.1081 c1c2c(c(ncn2)Cl)ncn1 AB63437 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.1081 c1cc(c2c(c1)OCCO2)O MB02241 [0,0,0,0,0,0|2,0,2]=4 4 B12R2.1081 c1cc(c2c(c1)nccn2)N AB09749 [0,0,0,0,0,0|2,0,0]=2 5 B12R2.1081 c1cc(c2cncnc2c1)N AB60734 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.1081 c1cc2c(c(=O)[nH]cn2)nc1 AB11918 [0,0,0,0,0,0|2,0,1]=3 7 B12R2.1081 c1cc2c(c(c1)O)OCCN2 MB08144 [0,0,0,0,0,0|2,0,2]=4 8 B12R2.1081 c1cc2c(c(ccn2)Br)nc1 MB10238 [0,0,0,0,0,0|2,0,0]=2 9 B12R2.1081 c1cc2c(c(ncn2)Cl)nc1 PB22412 [0,0,0,0,0,0|3,0,0]=3 10 B12R2.1081 c1cc2c(cc[nH]c2=O)nc1 PB11849 [0,0,0,0,0,0|3,0,1]=4 11 B12R2.1081 c1cc2c(cccn2)c(c1)Br AB05240 [0,0,0,0,0,0|3,0,0]=3 12 B12R2.1081 c1cc2c(ccnc2Br)nc1 MB01013 [0,0,0,0,0,0|4,0,0]=4 13 B12R2.1081 c1cc2c(ccnc2Cl)nc1 PB32262 [0,0,0,0,0,0|4,0,0]=4 14 B12R2.1081 c1cc2c(ccnc2N)nc1 AB54489 [0,0,0,0,0,0|4,0,0]=4 15 B12R2.1081 c1cc2c(ccnc2nc1)Br AB64248 [0,0,0,0,0,0|4,0,0]=4 16 B12R2.1081 c1cc2c(ccnc2nc1)Cl MB05961 [0,0,0,0,0,0|4,0,0]=4 17 B12R2.1081 c1cc2c(ccnc2nc1)N AB22452 [0,0,0,0,0,0|4,0,0]=4 18 B12R2.1081 c1cc2c(cncn2)c(c1)Br PB25306 [0,0,0,0,0,0|4,0,0]=4 19 B12R2.1081 c1cc2c(cncn2)c(c1)O AB07778 [0,0,0,0,0,0|3,0,0]=3 20 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 AB16309 [0,0,0,0,0,0|0,0,4]=4 21 B12R2.1081 c1cc2c(nc1)C(=O)COC2 AB74027 [0,0,0,0,0,0|1,0,3]=4 22 B12R2.1081 c1cc2c(nc1)C(=O)NCC2 AB71451 [0,0,0,0,0,0|1,0,3]=4 23 B12R2.1081 c1cc2cc[nH]c(=O)c2nc1 AB64971 [0,0,0,0,0,0|1,0,1]=2 24 B12R2.1081 c1cc2cccnc2c(c1)Br AB04626 [0,0,0,0,0,0|1,0,0]=1 25 B12R2.1081 c1cc2ccnc(c2nc1)Br AB65459 [0,0,0,0,0,0|2,0,0]=2 26 B12R2.1081 c1cc2ccnc(c2nc1)Cl AB45031 [0,0,0,0,0,0|2,0,0]=2 27 B12R2.1081 c1cc2ccnc(c2nc1)N AB08899 [0,0,0,0,0,0|2,0,0]=2 28 B12R2.1081 c1cc2ccncc2c(c1)Br MB03403 [0,0,0,0,0,0|3,0,0]=3 29 B12R2.1081 c1cc2ccncc2c(c1)O AB06640 [0,0,0,0,0,0|2,0,0]=2 30 B12R2.1081 c1cc2cncc(c2nc1)Br PB12160 [0,0,0,0,0,0|2,0,0]=2 31 B12R2.1081 c1cc2cnccc2c(c1)Br AB09627 [0,0,0,0,0,0|3,0,0]=3 32 B12R2.1081 c1cc2cncnc2c(c1)N AB49290 [0,0,0,0,0,0|2,0,0]=2 33 B12R2.1081 c1cc2cncnc2c(c1)O AB07782 [0,0,0,0,0,0|1,0,0]=1 34 B12R2.1081 c1cc2cnncc2c(c1)Br MB09752 [0,0,0,0,0,0|4,0,0]=4 35 B12R2.1081 c1cc2cnncc2c(c1)N AB44290 [0,0,0,0,0,0|4,0,0]=4 36 B12R2.1081 c1ccc2c(c1)c(ccn2)Br AB42051 [0,0,0,0,0,0|3,0,0]=3 37 B12R2.1081 c1ccc2c(c1)c(ccn2)N AB06141 [0,0,0,0,0,0|3,0,0]=3 38 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl AB04999 [0,0,0,0,0,0|4,0,0]=4 39 B12R2.1081 c1ccc2c(c1)c(ncn2)N AB03303 [0,0,0,0,0,0|4,0,0]=4 40 B12R2.1081 c1ccc2c(c1)ccnc2Cl AB01423 [0,0,0,0,0,0|3,0,0]=3 41 B12R2.1081 c1ccc2c(c1)ccnc2I AB05244 [0,0,0,0,0,0|3,0,0]=3 42 B12R2.1081 c1ccc2c(c1)cncc2Br AB00815 [0,0,0,0,0,0|3,0,0]=3 43 B12R2.1081 c1ccc2c(c1)cncc2O AB05248 [0,0,0,0,0,0|2,0,0]=2 44 B12R2.1081 c1ccc2c(c1)cnnc2Cl AB01425 [0,0,0,0,0,0|4,0,0]=4 45 B12R2.1081 c1ccc2c(c1)cnnc2O AB03574 [0,0,0,0,0,0|3,0,0]=3 46 B12R2.1081 c1cnc(c2c1cncc2)Br AB65462 [0,0,0,0,0,0|4,0,0]=4 47 B12R2.1081 c1cnc(c2c1cncc2)Cl AB09607 [0,0,0,0,0,0|4,0,0]=4 48 B12R2.1081 c1cnc(c2c1cncc2)N AB64136 [0,0,0,0,0,0|4,0,0]=4 49 B12R2.1081 c1cnc(c2c1nccn2)Cl AB48705 [0,0,0,0,0,0|3,0,0]=3 50 B12R2.1081 c1cnc(c2c1nccn2)N AB53421 [0,0,0,0,0,0|3,0,0]=3 51 B12R2.1081 c1cnc2ccncc2c1N AB09610 [0,0,0,0,0,0|4,0,0]=4 52 B12R2.1081 c1cncc2c1c(ccn2)Cl PB25673 [0,0,0,0,0,0|4,0,0]=4 53 B12R2.1081 c1cncc2c1c(cnc2)Br AB73848 [0,0,0,0,0,0|4,0,0]=4 54 B12R2.1081 c1cncc2c1ccnc2Cl PB30637 [0,0,0,0,0,0|4,0,0]=4 55 B12R2.1081 c1cncc2c1nccc2Cl PB28088 [0,0,0,0,0,0|4,0,0]=4 56 B11R2.20 c1cc2c(cccn2)nc1 AB01787 [1,0,0,0,0,0|1,0,0]=2 57 B11R2.20 c1cc2cccnc2nc1 AB02373 [1,0,0,0,0,0|1,0,0]=2 58 B11R2.20 c1cc2cnccc2nc1 AB02371 [1,0,0,0,0,0|1,0,0]=2 59 B11R2.20 c1ccc2c(c1)CCN=C2 AB01545 [1,0,0,0,0,0|2,0,1]=4 60 B13R2.32 Cc1cnc2ccccc2c1Cl AB50477 [0,1,0,0,0,0|3,0,0]=4 61 B13R2.32 Cc1cnc2ccccc2c1O AB50475 [0,1,0,0,0,0|2,0,0]=3 62 B13R2.32 c1cc2ccc(c(c2nc1)F)F MB01680 [0,1,0,0,0,0|1,0,0]=2 63 B13R2.32 c1ccc2c(c1)ccc(c2Br)N MB00604 [0,1,0,0,0,0|2,0,0]=3 64 B13R2.32 c1ccc2c(c1)ccc(c2F)O MB69403 [0,1,0,0,0,0|2,0,0]=3 65 B13R2.32 c1ccc2c(c1)ccc(c2O)F MB04146 [0,1,0,0,0,0|1,0,0]=2 66 B13R2.32 c1ccc2c(c1)cnc(c2Br)N MB00823 [0,1,0,0,0,0|3,0,0]=4 67 B13R2.162 Cc1ccc2c(c1)c(ccn2)Cl AB12588 [0,1,0,0,0,0|3,0,0]=4 68 B13R2.162 Cc1ccc2c(c1)c(ccn2)N AB29077 [0,1,0,0,0,0|3,0,0]=4 69 B13R2.162 Cc1ccc2c(c1)c(ccn2)O AB05625 [0,1,0,0,0,0|2,0,0]=3 70 B13R2.162 Cc1ccc2c(n1)c(ncn2)Cl AB73150 [0,1,0,0,0,0|3,0,0]=4 71 B13R2.162 Cc1ccc2cc[nH]c(=O)c2c1 AB54694 [0,1,0,0,0,0|2,0,1]=4 72 B13R2.162 Cc1ccc2cc[nH]c(=O)c2n1 AB76636 [0,1,0,0,0,0|1,0,1]=3 73 B13R2.162 Cc1ccc2cccc(c2n1)Br AB20867 [0,1,0,0,0,0|1,0,0]=2 74 B13R2.162 Cc1ccc2ccnc(c2c1)Cl AB54695 [0,1,0,0,0,0|3,0,0]=4 75 B13R2.162 Cc1cccc2c1nc(cc2)C AB01019 [0,1,0,0,0,0|1,0,0]=2 76 B13R2.162 Cc1ccnc2c1cc(cc2)Br AB49783 [0,1,0,0,0,0|3,0,0]=4 77 B13R2.162 c1cc(c2c(c1)OCC(=O)N2)O MB08401 [0,1,0,0,0,0|1,0,2]=4 78 B13R2.162 c1cc(cc2c1cc[nH]c2=O)Br AB10173 [0,1,0,0,0,0|2,0,1]=4 79 B13R2.162 c1cc(cc2c1cc[nH]c2=O)Cl AB42150 [0,1,0,0,0,0|2,0,1]=4 80 B13R2.162 c1cc(cc2c1ccnc2Br)Cl AB70047 [0,1,0,0,0,0|3,0,0]=4 81 B13R2.162 c1cc(cc2c1ccnc2Cl)Br AB17337 [0,1,0,0,0,0|3,0,0]=4 82 B13R2.162 c1cc(cc2c1ccnc2Cl)Cl AB64632 [0,1,0,0,0,0|3,0,0]=4 83 B13R2.162 c1cc(cc2c1ccnc2N)Br AB39362 [0,1,0,0,0,0|3,0,0]=4 84 B13R2.162 c1cc(cc2c1ccnc2N)Cl AB64630 [0,1,0,0,0,0|3,0,0]=4 85 B13R2.162 c1cc(nc2c1cc[nH]c2=O)Br AB85018 [0,1,0,0,0,0|1,0,1]=3 86 B13R2.162 c1cc(nc2c1ccnc2Cl)Br AB73782 [0,1,0,0,0,0|2,0,0]=3 87 B13R2.162 c1cc(nc2c1ccnc2Cl)Cl AB73789 [0,1,0,0,0,0|2,0,0]=3 88 B13R2.162 c1cc(nc2c1ccnc2O)Br AB73785 [0,1,0,0,0,0|1,0,0]=2 89 B13R2.162 c1cc(nc2c1ccnc2O)Cl AB73786 [0,1,0,0,0,0|1,0,0]=2 90 B13R2.162 c1cc(nc2c1nc[nH]c2=O)Cl PB19179 [0,1,0,0,0,0|2,0,1]=4 91 B13R2.162 c1cc(nc2c1nccc2Br)Br PB11778 [0,1,0,0,0,0|2,0,0]=3 92 B13R2.162 c1cc(nc2c1nccc2Cl)Cl PB27264 [0,1,0,0,0,0|2,0,0]=3 93 B13R2.162 c1cc(nc2c1ncnc2Cl)Cl PB19186 [0,1,0,0,0,0|3,0,0]=4 94 B13R2.162 c1cc(nc2c1ncnc2Cl)F AB70525 [0,1,0,0,0,0|3,0,0]=4 95 B13R2.162 c1cc2c(c(c1)O)NC(=O)CC2 AB22449 [0,1,0,0,0,0|0,0,3]=4 96 B13R2.162 c1cc2c(cc1Br)c(ccn2)Cl PB19880 [0,1,0,0,0,0|3,0,0]=4 97 B13R2.162 c1cc2c(cc1Br)c(ccn2)N AB14051 [0,1,0,0,0,0|3,0,0]=4 98 B13R2.162 c1cc2c(cc1Br)c(ccn2)O PB14171 [0,1,0,0,0,0|2,0,0]=3 99 B13R2.162 c1cc2c(cc1Cl)c(ccn2)Cl AB04150 [0,1,0,0,0,0|3,0,0]=4 100 B13R2.162 c1cc2c(cc1Cl)c(ccn2)N AB42116 [0,1,0,0,0,0|3,0,0]=4 101 B13R2.162 c1cc2c(cc1Cl)c(ccn2)O AB01413 [0,1,0,0,0,0|2,0,0]=3 102 B13R2.162 c1cc2c(cc1F)c(ccn2)Cl AB05918 [0,1,0,0,0,0|3,0,0]=4 103 B13R2.162 c1cc2c(cc1F)c(ccn2)N AB22403 [0,1,0,0,0,0|3,0,0]=4 104 B13R2.162 c1cc2c(cc1F)c(ccn2)O AB05527 [0,1,0,0,0,0|2,0,0]=3 105 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Br MB06618 [0,1,0,0,0,0|1,0,1]=3 106 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Cl MB10595 [0,1,0,0,0,0|1,0,1]=3 107 B13R2.162 c1cc2ccc(nc2c(c1)Br)Cl AB48778 [0,1,0,0,0,0|1,0,0]=2 108 B13R2.162 c1cc2ccc(nc2c(c1)Br)N MB05228 [0,1,0,0,0,0|1,0,0]=2 109 B13R2.162 c1cc2ccc(nc2c(c1)Cl)N AB44300 [0,1,0,0,0,0|1,0,0]=2 110 B13R2.162 c1cc2ccc(nc2c(c1)O)N AB04263 [0,1,0,0,0,0|0,0,0]=1 111 B13R2.162 c1cc2cnc(nc2c(c1)Br)Cl PB34557 [0,1,0,0,0,0|2,0,0]=3 112 B13R2.162 c1cnc(c2c1ncc(c2)N)O AB73821 [0,1,0,0,0,0|3,0,0]=4 113 B13R2.328 Cc1cc(c2ccccc2n1)N AB00806 [0,1,0,0,0,0|3,0,0]=4 114 B13R2.328 Cc1cc(cc2c1nccn2)Br MB15073 [0,1,0,0,0,0|2,0,0]=3 115 B13R2.328 Cc1cc(nc2c1cccc2)N AB21178 [0,1,0,0,0,0|3,0,0]=4 116 B13R2.328 Cc1cc(nc2c1cccc2)N AB42119 [0,1,0,0,0,0|3,0,0]=4 117 B13R2.328 c1cc2c(c(nc(n2)Cl)Cl)nc1 PB22455 [0,1,0,0,0,0|3,0,0]=4 118 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N MB00371 [0,1,0,0,0,0|3,0,0]=4 119 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)N MB06581 [0,1,0,0,0,0|3,0,0]=4 120 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Br AB62586 [0,1,0,0,0,0|3,0,0]=4 121 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Cl AB01396 [0,1,0,0,0,0|3,0,0]=4 122 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)N MB06583 [0,1,0,0,0,0|3,0,0]=4 123 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br MB01043 [0,1,0,0,0,0|3,0,0]=4 124 B13R2.328 c1ccc2c(c1)cc(nc2Br)N CB10230 [0,1,0,0,0,0|3,0,0]=4 125 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl PB17073 [0,1,0,0,0,0|3,0,0]=4 126 B13R2.328 c1cnc2=NC(=O)CC(=c2n1)O AB65791 [0,1,0,0,0,0|2,0,1]=4 127 B13R2.342 C1=CN=C2C(=C1Br)=CC=NC2=O AB85032 [0,1,0,0,0,0|1,0,2]=4 128 B13R2.342 C1=CN=C2C(=C1Cl)=CC=NC2=O AB85035 [0,1,0,0,0,0|1,0,2]=4 129 B13R2.342 Cc1cccc2c1ccnc2Cl MB09763 [0,1,0,0,0,0|3,0,0]=4 130 B13R2.342 Cc1cccc2c1ccnc2O AB70070 [0,1,0,0,0,0|2,0,0]=3 131 B13R2.342 Cc1cccc2c1nccc2Cl AB05597 [0,1,0,0,0,0|1,0,0]=2 132 B13R2.342 Cc1cccc2c1nccc2N AB42078 [0,1,0,0,0,0|1,0,0]=2 133 B13R2.342 Cc1cccc2c1nccc2O AB05626 [0,1,0,0,0,0|1,0,0]=2 134 B13R2.342 Cc1ccnc2c1cccc2Br CB11612 [0,1,0,0,0,0|1,0,0]=2 135 B13R2.342 c1cc2c(c(c1)Br)nc[nH]c2=O MB08801 [0,1,0,0,0,0|2,0,0]=3 136 B13R2.342 c1cc2c(c(c1)Cl)nc[nH]c2=O MB08808 [0,1,0,0,0,0|2,0,0]=3 137 B13R2.342 c1cc2c(c(c1)O)CCCC2=O MB00107 [0,1,0,0,0,0|1,0,2]=4 138 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)Br AB64049 [0,1,0,0,0,0|2,0,1]=4 139 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)Cl AB64608 [0,1,0,0,0,0|2,0,1]=4 140 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)N PB32405 [0,1,0,0,0,0|2,0,1]=4 141 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)O MB01281 [0,1,0,0,0,0|2,0,0]=3 142 B13R2.342 c1cc2c(cccc2I)c(c1)O MB05554 [0,1,0,0,0,0|1,0,0]=2 143 B13R2.342 c1cc2c(ccnc2Cl)c(c1)Br AB48461 [0,1,0,0,0,0|3,0,0]=4 144 B13R2.342 c1cc2c(ccnc2Cl)c(c1)Cl AB64606 [0,1,0,0,0,0|3,0,0]=4 145 B13R2.342 c1cc2c(ccnc2N)c(c1)Br AB64053 [0,1,0,0,0,0|3,0,0]=4 146 B13R2.342 c1cc2c(ccnc2N)c(c1)Cl AB70043 [0,1,0,0,0,0|3,0,0]=4 147 B13R2.342 c1cc2c(ccnc2c(c1)Br)Cl AB10174 [0,1,0,0,0,0|1,0,0]=2 148 B13R2.342 c1cc2c(ccnc2c(c1)Br)N AB16996 [0,1,0,0,0,0|1,0,0]=2 149 B13R2.342 c1cc2c(ccnc2c(c1)Br)O AB05650 [0,1,0,0,0,0|1,0,0]=2 150 B13R2.342 c1cc2c(ccnc2c(c1)Cl)Br AB42130 [0,1,0,0,0,0|1,0,0]=2 151 B13R2.342 c1cc2c(ccnc2c(c1)Cl)N AB16995 [0,1,0,0,0,0|1,0,0]=2 152 B13R2.342 c1cc2c(ccnc2c(c1)Cl)O AB05649 [0,1,0,0,0,0|1,0,0]=2 153 B13R2.342 c1cc2c(ccnc2c(c1)F)Br AB42123 [0,1,0,0,0,0|1,0,0]=2 154 B13R2.342 c1cc2c(ccnc2c(c1)F)Cl AB05919 [0,1,0,0,0,0|1,0,0]=2 155 B13R2.342 c1cc2c(ccnc2c(c1)F)N AB16991 [0,1,0,0,0,0|1,0,0]=2 156 B13R2.342 c1cnc(c2c1C(=O)CC=N2)Cl PB23871 [0,1,0,0,0,0|2,0,1]=4 157 B13R2.342 c1cnc(c2c1c(ccn2)Br)Cl AB73792 [0,1,0,0,0,0|2,0,0]=3 158 B13R2.342 c1cnc(c2c1c(ccn2)Cl)Cl PB19645 [0,1,0,0,0,0|2,0,0]=3 159 B13R2.342 c1cnc(c2c1c(ccn2)N)Cl AB73793 [0,1,0,0,0,0|2,0,0]=3 160 B13R2.342 c1cnc(c2c1c(ncn2)Cl)Cl AB73049 [0,1,0,0,0,0|3,0,0]=4 161 B13R2.342 c1cnc(c2c1c(ncn2)Cl)F AB73046 [0,1,0,0,0,0|3,0,0]=4 162 B13R2.371 c1cc(c2ccncc2c1N)Br AB50046 [0,1,0,0,0,0|3,0,0]=4 163 B13R2.371 c1cc2c(c(nnc2Cl)Cl)nc1 PB21674 [0,1,0,0,0,0|3,0,0]=4 164 B13R2.371 c1cc2c(ccc(c2nc1)Br)Br AB20865 [0,1,0,0,0,0|1,0,0]=2 165 B13R2.371 c1cc2c(ccc(c2nc1)N)Cl MB01218 [0,1,0,0,0,0|1,0,0]=2 166 B13R2.371 c1cc2c(cnc(c2nc1)Cl)Br PB20279 [0,1,0,0,0,0|2,0,0]=3 167 B13R2.371 c1cc2c(cnc(c2nc1)O)Br PB16196 [0,1,0,0,0,0|1,0,0]=2 168 B13R2.371 c1ccc2c(c1)c(cnc2Br)Br MB01038 [0,1,0,0,0,0|3,0,0]=4 169 B13R2.371 c1ccc2c(c1)c(cnc2Cl)Br MB01037 [0,1,0,0,0,0|3,0,0]=4 170 B13R2.371 c1ccc2c(c1)c(cnc2N)Br MB03465 [0,1,0,0,0,0|3,0,0]=4 171 B13R2.1613 C#Cc1cccc2c1cccn2 AB42083 [0,1,0,0,0,0|3,0,0]=4 172 B13R2.1613 C#Cc1ccnc2c1cccc2 AB48498 [0,1,0,0,0,0|3,0,0]=4 173 B13R2.1613 COc1cccc2c1cncc2 AB49764 [0,1,0,0,0,0|2,0,0]=3 174 B13R2.1613 c1cc(c2c(c1)nccn2)C=O AB07315 [0,1,0,0,0,0|1,0,1]=3 175 B13R2.1613 c1cc(c2cccnc2c1)C=O AB07320 [0,1,0,0,0,0|2,0,1]=4 176 B13R2.1613 c1cc(c2cccnc2c1)CN AB28304 [0,1,0,0,0,0|3,0,0]=4 177 B13R2.1613 c1cc2cccnc2c(c1)NN AB07874 [0,1,0,0,0,0|1,0,0]=2 178 B13R2.1613 c1cc2ccncc2c(c1)C=O AB23484 [0,1,0,0,0,0|2,0,1]=4 179 B13R2.1613 c1cc2ccncc2c(c1)CN AB28224 [0,1,0,0,0,0|3,0,0]=4 180 B13R2.1613 c1cc2ccncc2c(c1)CO MB10361 [0,1,0,0,0,0|2,0,0]=3 181 B13R2.1613 c1cc2cncc(c2nc1)C=O AB28388 [0,1,0,0,0,0|1,0,1]=3 182 B13R2.1613 c1cc2cnccc2c(c1)C#N AB13764 [0,1,0,0,0,0|3,0,0]=4 183 B13R2.1613 c1cc2cnccc2c(c1)C=O AB14397 [0,1,0,0,0,0|2,0,1]=4 184 B13R2.1613 c1cc2cnccc2c(c1)CN AB56494 [0,1,0,0,0,0|3,0,0]=4 185 B13R2.1613 c1ccc2c(c1)c(ccn2)CCl AB60119 [0,1,0,0,0,0|3,0,0]=4 186 B13R2.1613 c1ccc2c(c1)c(ccn2)CN AB11064 [0,1,0,0,0,0|3,0,0]=4 187 B13R2.1613 c1ccc2c(c1)c(ccn2)CO MB01636 [0,1,0,0,0,0|2,0,0]=3 188 B13R2.1613 c1ccc2c(c1)c(ccn2)NN AB05747 [0,1,0,0,0,0|3,0,0]=4 189 B13R2.1613 c1ccc2c(c1)ccnc2C#N AB03726 [0,1,0,0,0,0|3,0,0]=4 190 B13R2.1613 c1ccc2c(c1)ccnc2C=O AB28067 [0,1,0,0,0,0|2,0,1]=4 191 B13R2.1613 c1ccc2c(c1)ccnc2CCl AB51017 [0,1,0,0,0,0|3,0,0]=4 192 B13R2.1613 c1ccc2c(c1)ccnc2CN AB23405 [0,1,0,0,0,0|3,0,0]=4 193 B13R2.1613 c1ccc2c(c1)ccnc2NN AB52996 [0,1,0,0,0,0|3,0,0]=4 194 B13R2.1613 c1ccc2c(c1)cncc2C#N AB07795 [0,1,0,0,0,0|3,0,0]=4 195 B13R2.1613 c1ccc2c(c1)cncc2C=O MB01497 [0,1,0,0,0,0|2,0,1]=4 196 B13R2.1613 c1ccc2c(c1)cncc2CN AB28215 [0,1,0,0,0,0|3,0,0]=4 197 B13R2.4818 Cc1cccc2c1c(ncc2)Cl MB13685 [0,1,0,0,0,0|3,0,0]=4 198 B13R2.4818 c1cc2c(c(c1)F)c(ccn2)Cl CB11066 [0,1,0,0,0,0|3,0,0]=4 199 B13R2.5179 C1=C2=CC(=CN=C2C(=O)N=C1)Br AB85026 [0,1,0,0,0,0|1,0,2]=4 200 B13R2.5179 C1=C2=CC(=CN=C2C(=O)N=C1)Cl AB85029 [0,1,0,0,0,0|1,0,2]=4 201 B13R2.5179 C1=C2=CC(=CN=C2C(=O)N=C1)F AB85030 [0,1,0,0,0,0|1,0,2]=4 202 B13R2.5179 Cc1ccc2c(c1)ccnc2Cl AB63566 [0,1,0,0,0,0|3,0,0]=4 203 B13R2.5179 Cc1ccc2c(c1)ccnc2N AB63570 [0,1,0,0,0,0|3,0,0]=4 204 B13R2.5179 Cc1ccc2c(c1)ccnc2O AB70069 [0,1,0,0,0,0|2,0,0]=3 205 B13R2.5179 Cc1ccc2c(ccnc2c1)Cl AB51456 [0,1,0,0,0,0|3,0,0]=4 206 B13R2.5179 Cc1ccc2c(n1)cccc2Br AB68514 [0,1,0,0,0,0|3,0,0]=4 207 B13R2.5179 c1c(cnc2c1nc[nH]c2=O)Br PB26818 [0,1,0,0,0,0|2,0,1]=4 208 B13R2.5179 c1c(cnc2c1ncnc2Cl)Br PB34615 [0,1,0,0,0,0|3,0,0]=4 209 B13R2.5179 c1cc(nc2c1c(ncc2)O)Br AB73798 [0,1,0,0,0,0|3,0,0]=4 210 B13R2.5179 c1cc(nc2c1c(ncc2)O)Cl AB73796 [0,1,0,0,0,0|3,0,0]=4 211 B13R2.5179 c1cc2c(c(c1)Br)ncc(n2)N MB10611 [0,1,0,0,0,0|2,0,0]=3 212 B13R2.5179 c1cc2c(c(c1)O)CCC(=O)C2 MB03115 [0,1,0,0,0,0|1,0,2]=4 213 B13R2.5179 c1cc2c(c(c1)O)OCC(=O)N2 AB65028 [0,1,0,0,0,0|2,0,1]=4 214 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1Br AB39354 [0,1,0,0,0,0|2,0,1]=4 215 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1Cl AB42154 [0,1,0,0,0,0|2,0,1]=4 216 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1F AB55620 [0,1,0,0,0,0|2,0,1]=4 217 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1N PB11021 [0,1,0,0,0,0|2,0,1]=4 218 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)Br MB09288 [0,1,0,0,0,0|3,0,0]=4 219 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)O MB02360 [0,1,0,0,0,0|2,0,0]=3 220 B13R2.5179 c1cc2c(ccc(n2)Cl)c(c1)Br AB45170 [0,1,0,0,0,0|3,0,0]=4 221 B13R2.5179 c1cc2c(ccc(n2)N)c(c1)Br MB09289 [0,1,0,0,0,0|3,0,0]=4 222 B13R2.5179 c1cc2c(ccnc2Br)cc1Cl AB70045 [0,1,0,0,0,0|3,0,0]=4 223 B13R2.5179 c1cc2c(ccnc2Br)cc1F AB70062 [0,1,0,0,0,0|3,0,0]=4 224 B13R2.5179 c1cc2c(ccnc2Cl)cc1Br AB27582 [0,1,0,0,0,0|3,0,0]=4 225 B13R2.5179 c1cc2c(ccnc2Cl)cc1Cl AB27580 [0,1,0,0,0,0|3,0,0]=4 226 B13R2.5179 c1cc2c(ccnc2Cl)cc1F AB55623 [0,1,0,0,0,0|3,0,0]=4 227 B13R2.5179 c1cc2c(ccnc2N)cc1Br AB39358 [0,1,0,0,0,0|3,0,0]=4 228 B13R2.5179 c1cc2c(ccnc2N)cc1Cl AB39360 [0,1,0,0,0,0|3,0,0]=4 229 B13R2.5179 c1cc2c(ccnc2N)cc1F AB69427 [0,1,0,0,0,0|3,0,0]=4 230 B13R2.5179 c1cc2c(ccnc2O)cc1Cl AB64993 [0,1,0,0,0,0|2,0,0]=3 231 B13R2.5179 c1cc2c(ccnc2cc1Br)Cl AB12594 [0,1,0,0,0,0|3,0,0]=4 232 B13R2.5179 c1cc2c(ccnc2cc1Br)N AB25141 [0,1,0,0,0,0|3,0,0]=4 233 B13R2.5179 c1cc2c(ccnc2cc1Br)O AB25905 [0,1,0,0,0,0|2,0,0]=3 234 B13R2.5179 c1cc2c(ccnc2cc1Cl)Br AB42126 [0,1,0,0,0,0|3,0,0]=4 235 B13R2.5179 c1cc2c(ccnc2cc1Cl)N AB07356 [0,1,0,0,0,0|3,0,0]=4 236 B13R2.5179 c1cc2c(ccnc2cc1F)Cl AB04073 [0,1,0,0,0,0|3,0,0]=4 237 B13R2.5179 c1cc2c(ccnc2cc1F)N AB43465 [0,1,0,0,0,0|3,0,0]=4 238 B13R2.5179 c1cc2c(ccnc2cc1F)O AB05529 [0,1,0,0,0,0|2,0,0]=3 239 B13R2.5179 c1cc2cc(cnc2c(c1)Br)I MB07196 [0,1,0,0,0,0|1,0,0]=2 240 B13R2.5179 c1cnc(c2c1cc(cn2)Br)Cl AB73781 [0,1,0,0,0,0|2,0,0]=3 241 B13R2.5179 c1cnc(c2c1cc(cn2)Cl)Cl AB73790 [0,1,0,0,0,0|2,0,0]=3 242 B13R2.5179 c1cnc(c2c1cc(cn2)F)Cl AB76841 [0,1,0,0,0,0|2,0,0]=3 243 B13R2.5179 c1cnc2cc(cnc2c1Br)Br PB19818 [0,1,0,0,0,0|2,0,0]=3 244 B13R2.5179 c1cnc2cc(cnc2c1Cl)Br PB26720 [0,1,0,0,0,0|2,0,0]=3 245 B13R2.5179 c1cnc2cc(cnc2c1Cl)Cl PB28975 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.13 C=CCc1cccc(c1O)N MB13698 [0,0,1,0,0,0|2,0,1]=4 247 B11R1.53 B(c1ccccc1C=C)(O)O AB08106 [0,0,1,0,0,0|3,0,0]=4 248 B11R1.53 COc1cccnc1C(=O)O MB04405 [0,0,1,0,0,0|2,0,1]=4 249 B11R1.53 c1cc(c(nc1)C(=O)O)C#N AB31808 [0,0,1,0,0,0|2,0,1]=4 250 B11R1.265 CCc1c(cccc1O)C=O MB23582 [0,0,1,0,0,0|2,0,1]=4 251 B11R1.265 COc1c(cccc1O)C=O MB03871 [0,0,1,0,0,0|2,0,1]=4 252 B11R1.265 CSc1c(cccc1O)C=O MB26872 [0,0,1,0,0,0|2,0,1]=4 253 B11R1.265 c1cc(c(c(c1)O)C#N)C=O MB25661 [0,0,1,0,0,0|3,0,0]=4 254 B11R1.265 c1cc(c(c(c1)O)C=O)C=O MB35004 [0,0,1,0,0,0|3,0,0]=4 255 B11R1.265 c1cc(c(c(c1)O)CN)C=O MB28913 [0,0,1,0,0,0|3,0,0]=4 256 B11R2.1 C1=CC2C(=NC=C2O)C=C1 AB12538 [0,0,0,0,1,0|2,0,1]=4 257 B11R2.1 C1C=CN=C2C1=NC=C2Br PB14830 [0,0,0,0,1,0|2,0,1]=4 258 B11R2.1 Cn1ccc2c1nccc2 AB51139 [0,0,0,0,1,0|2,0,0]=3 259 B11R2.1 c1cc2c(c(cs2)Br)nc1 PB28335 [0,0,0,0,1,0|2,0,0]=3 260 B11R2.1 c1cc2c(c(no2)N)nc1 PB21304 [0,0,0,0,1,0|3,0,0]=4 261 B11R2.1 c1cc2c(nc1)C(=O)OC2 AB66596 [0,0,0,0,1,0|1,0,2]=4 262 B11R2.1 c1cc2ncc(n2nc1)Br PB23676 [0,0,0,0,1,0|3,0,0]=4 263 B11R2.1 c1ccc2c(c1)c(co2)Br MB01644 [0,0,0,0,1,0|3,0,0]=4 264 B11R2.1 c1cnc2c(cnn2c1)Br PB22252 [0,0,0,0,1,0|3,0,0]=4 265 B11R2.1 c1cnc2c(cnn2c1)N PB27500 [0,0,0,0,1,0|3,0,0]=4 266 B11R2.1 c1cnc2c(cnn2c1)N PB37704 [0,0,0,0,1,0|3,0,0]=4 267 B11R2.106 C1=CN=C2C1=NC=NC2=O PB28030 [0,0,0,0,1,0|2,0,1]=4 268 B11R2.106 C1C=CC(=C2=C1=CC=N2)O AB04040 [0,0,0,0,1,0|0,0,3]=4 269 B11R2.106 C1C=CC(=C2C1=NC=C2)Br PB10160 [0,0,0,0,1,0|2,0,1]=4 270 B11R2.106 C1C=CC(=C2C1=NC=C2)Cl AB00468 [0,0,0,0,1,0|2,0,1]=4 271 B11R2.106 C1C=CC(=C2C1=NC=C2)F PB20892 [0,0,0,0,1,0|2,0,1]=4 272 B11R2.106 C1C=CC(=C2C1=NC=C2)O AB00472 [0,0,0,0,1,0|1,0,1]=3 273 B11R2.106 C1C=CC(=C2C1=NN=C2)O PB22002 [0,0,0,0,1,0|2,0,1]=4 274 B11R2.106 CC1=C2C(=CC=N2)C=CC1 AB00504 [0,0,0,0,1,0|1,0,1]=3 275 B11R2.106 CC1=C2C(=CC=N2)N=CC1 PB26696 [0,0,0,0,1,0|2,0,1]=4 276 B11R2.106 CC1=C2C(=CN=N2)C=CC1 MB03490 [0,0,0,0,1,0|2,0,1]=4 277 B11R2.106 CC1=C2C=CN=C2C=CC1 AB00476 [0,0,0,0,1,0|2,0,1]=4 278 B11R2.106 Cc1c2cccn2ccn1 AB52834 [0,0,0,0,1,0|3,0,0]=4 279 B11R2.106 Cc1cccc2c1occ2 MB00742 [0,0,0,0,1,0|2,0,0]=3 280 B11R2.106 c1c2=CCN=c2c(cn1)Br PB15912 [0,0,0,0,1,0|2,0,1]=4 281 B11R2.106 c1c2=CCN=c2c(cn1)Cl PB13266 [0,0,0,0,1,0|2,0,1]=4 282 B11R2.106 c1c2=CCN=c2c(cn1)F PB30026 [0,0,0,0,1,0|2,0,1]=4 283 B11R2.106 c1cc(c2ccoc2c1)N MB06879 [0,0,0,0,1,0|2,0,0]=3 284 B11R2.106 c1cc(c2ccoc2c1)O MB07641 [0,0,0,0,1,0|1,0,0]=2 285 B11R2.106 c1cc(c2nccn2c1)Br PB14615 [0,0,0,0,1,0|2,0,0]=3 286 B11R2.106 c1cc(c2nccn2c1)Br PB38167 [0,0,0,0,1,0|2,0,0]=3 287 B11R2.106 c1cc(c2nccn2c1)N PB32476 [0,0,0,0,1,0|2,0,0]=3 288 B11R2.106 c1cc(c2ncnn2c1)Br PB19103 [0,0,0,0,1,0|3,0,0]=4 289 B11R2.106 c1cc(c2nncn2c1)Br PB29098 [0,0,0,0,1,0|3,0,0]=4 290 B11R2.106 c1cc(n2ccnc2c1)N PB21879 [0,0,0,0,1,0|3,0,0]=4 291 B11R2.106 c1cc2c(=O)[nH]ccn2c1 PB13162 [0,0,0,0,1,0|2,0,1]=4 292 B11R2.106 c1cc2c(c(c1)Br)ocn2 MB05566 [0,0,0,0,1,0|3,0,0]=4 293 B11R2.106 c1cc2c(c(c1)Br)scn2 PB17880 [0,0,0,0,1,0|3,0,0]=4 294 B11R2.106 c1cc2c(c(c1)Cl)ncs2 MB09046 [0,0,0,0,1,0|2,0,0]=3 295 B11R2.106 c1cc2c(c(c1)Cl)ocn2 MB20023 [0,0,0,0,1,0|3,0,0]=4 296 B11R2.106 c1cc2c(c(c1)O)CCN2 MB07004 [0,0,0,0,1,0|1,0,2]=4 297 B11R2.106 c1cc2c(c(c1)O)CNC2 MB08983 [0,0,0,0,1,0|1,0,2]=4 298 B11R2.106 c1cc2c(ccnn2c1)N PB18284 [0,0,0,0,1,0|3,0,0]=4 299 B11R2.106 c1cc2c(cco2)[n+](c1)[O-] CB11844 [0,0,0,0,1,0|2,0,1]=4 300 B11R2.106 c1cc2c(cco2)c(c1)Br PB17600 [0,0,0,0,1,0|2,0,0]=3 301 B11R2.106 c1cc2c(cco2)c(c1)F MB08828 [0,0,0,0,1,0|2,0,0]=3 302 B11R2.106 c1cc2c(ccs2)c(c1)Br PB20282 [0,0,0,0,1,0|2,0,0]=3 303 B11R2.106 c1cc2c(nccn2c1)Cl PB10727 [0,0,0,0,1,0|3,0,0]=4 304 B11R2.106 c1cc2ccnc(n2c1)Cl AB53391 [0,0,0,0,1,0|3,0,0]=4 305 B11R2.106 c1cc2ccnn2c(c1)Br AB28896 [0,0,0,0,1,0|2,0,0]=3 306 B11R2.106 c1cc2ccnn2c(c1)I AB48943 [0,0,0,0,1,0|2,0,0]=3 307 B11R2.106 c1cc2ccoc2c(c1)Br MB06925 [0,0,0,0,1,0|2,0,0]=3 308 B11R2.106 c1cc2ccoc2c(c1)N MB10414 [0,0,0,0,1,0|2,0,0]=3 309 B11R2.106 c1cc2ccsc2c(c1)Br AB25661 [0,0,0,0,1,0|2,0,0]=3 310 B11R2.106 c1cc2cncn2c(c1)Br AB28894 [0,0,0,0,1,0|3,0,0]=4 311 B11R2.106 c1cc2cncn2c(c1)I AB68521 [0,0,0,0,1,0|3,0,0]=4 312 B11R2.106 c1cc2nccn2c(c1)Br PB32607 [0,0,0,0,1,0|3,0,0]=4 313 B11R2.106 c1cc2nccn2c(c1)Cl AB61232 [0,0,0,0,1,0|3,0,0]=4 314 B11R2.106 c1cc2ncnn2c(c1)Br PB14838 [0,0,0,0,1,0|3,0,0]=4 315 B11R2.106 c1cn2ccnc(c2n1)Cl PB29694 [0,0,0,0,1,0|3,0,0]=4 316 B11R2.106 c1cn2ccnc2c(n1)N AB53126 [0,0,0,0,1,0|3,0,0]=4 317 B11R2.106 c1cnc(c2=NCC=c21)Br PB14366 [0,0,0,0,1,0|2,0,1]=4 318 B11R2.106 c1cnc(c2=NCC=c21)Cl PB26100 [0,0,0,0,1,0|2,0,1]=4 319 B11R2.106 c1cnc(c2=NCC=c21)N AB52926 [0,0,0,0,1,0|2,0,1]=4 320 B11R2.106 c1cnc(c2c1cco2)Cl PB14748 [0,0,0,0,1,0|3,0,0]=4 321 B11R2.106 c1cnc(c2c1cco2)N AB52921 [0,0,0,0,1,0|3,0,0]=4 322 B11R2.106 c1cnc(c2c1ccs2)Cl PB10318 [0,0,0,0,1,0|3,0,0]=4 323 B11R2.106 c1cnc(c2c1ccs2)N PB25207 [0,0,0,0,1,0|3,0,0]=4 324 B11R2.106 c1cnc(c2c1occ2)N AB52908 [0,0,0,0,1,0|3,0,0]=4 325 B11R2.106 c1cnc(c2c1scc2)Cl PB27550 [0,0,0,0,1,0|3,0,0]=4 326 B11R2.106 c1cnc(n2c1ncn2)O AB53422 [0,0,0,0,1,0|3,0,0]=4 327 B11R2.106 c1cnc2=CCN=c2c1Br PB10981 [0,0,0,0,1,0|2,0,1]=4 328 B11R2.106 c1cnc2=CCN=c2c1Cl PB14564 [0,0,0,0,1,0|2,0,1]=4 329 B11R2.106 c1cnc2=CCN=c2c1F PB25681 [0,0,0,0,1,0|2,0,1]=4 330 B11R2.106 c1cnc2=NCC=c2c1O PB23574 [0,0,0,0,1,0|2,0,1]=4 331 B11R2.106 c1cnc2c(c1Cl)cco2 PB22970 [0,0,0,0,1,0|3,0,0]=4 332 B11R2.106 c1cnc2ccoc2c1Cl PB22739 [0,0,0,0,1,0|3,0,0]=4 333 B11R2.106 c1cnc2ccsc2c1Cl PB17528 [0,0,0,0,1,0|3,0,0]=4 334 B11R2.106 c1cnc2ccsc2c1N MB06918 [0,0,0,0,1,0|3,0,0]=4 335 B11R2.106 c1cnc2ccsc2c1O PB32284 [0,0,0,0,1,0|2,0,0]=3 336 B11R2.106 c1cnn2c1nccc2Cl PB27621 [0,0,0,0,1,0|3,0,0]=4 337 B11R2.106 c1cnn2c1nccc2O AB16977 [0,0,0,0,1,0|2,0,0]=3 338 B11R2.106 c1cnn2ccnc2c1N PB38542 [0,0,0,0,1,0|3,0,0]=4 339 B11R2.106 c1coc2c1ncnc2O AB52914 [0,0,0,0,1,0|3,0,0]=4 340 B11R2.106 c1csc2c1c(cnc2)Cl MB08838 [0,0,0,0,1,0|3,0,0]=4 341 B10R1.2 Cc1c(cccc1O)C=O MB08410 [1,0,1,0,0,0|1,0,1]=4 342 B10R1.2 c1cc(c(c(c1)O)Br)C=O AB03304 [1,0,1,0,0,0|2,0,0]=4 343 B10R1.2 c1cc(c(c(c1)O)F)C=O AB63446 [1,0,1,0,0,0|2,0,0]=4 344 B10R1.2 c1cc(c(c(c1)O)I)C=O MB07518 [1,0,1,0,0,0|2,0,0]=4 345 B10R1.2 c1cc(c(c(c1)O)N)C=O MB38000 [1,0,1,0,0,0|1,0,1]=4 346 B10R1.10 c1cc(cc(c1)Br)\C=C\Br AB73510 [1,0,1,0,0,0|2,0,0]=4 347 B10R1.15 c1ccnc(c1)C(=O)C=O AB62330 [1,0,1,0,0,0|1,0,1]=4 348 B10R1.61 Cc1cccnc1C(=O)O PB10121 [1,0,1,0,0,0|1,0,1]=4 349 B10R1.61 c1cc(c(nc1)C(=O)O)Cl PB30690 [1,0,1,0,0,0|2,0,0]=4 350 B10R1.61 c1cc(c(nc1)C(=O)O)F PB12310 [1,0,1,0,0,0|2,0,0]=4 351 B10R1.61 c1cc(c(nc1)C(=O)O)I AB10544 [1,0,1,0,0,0|2,0,0]=4 352 B10R1.61 c1cc(c(nc1)C(=O)O)N PB32134 [1,0,1,0,0,0|2,0,0]=4 353 B10R1.245 Cc1cccc(c1C=O)O MB14829 [1,0,1,0,0,0|1,0,1]=4 354 B10R1.245 c1cc(c(c(c1)Br)C=O)O AB43626 [1,0,1,0,0,0|2,0,0]=4 355 B10R1.245 c1cc(c(c(c1)Cl)C=O)O MB01945 [1,0,1,0,0,0|2,0,0]=4 356 B10R1.245 c1cc(c(c(c1)F)C=O)O MB01694 [1,0,1,0,0,0|2,0,0]=4 357 B10R1.245 c1cc(c(c(c1)I)C=O)O MB14699 [1,0,1,0,0,0|2,0,0]=4 358 B10R1.245 c1cc(c(c(c1)O)C=O)N MB27161 [1,0,1,0,0,0|2,0,0]=4 359 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O AB00370 [0,1,1,0,0,0|2,0,0]=4 360 B12R1.87 c1cnc(c(c1O)C=O)C(=O)O AB84466 [0,1,1,0,0,0|2,0,0]=4 361 B12R2.24 Cc1ccc2c(n1)cccn2 PB12466 [1,1,0,0,0,0|1,0,0]=3 362 B12R2.24 Cc1ccc2cccnc2n1 AB17502 [1,1,0,0,0,0|1,0,0]=3 363 B12R2.24 Cc1cnc2ccccc2n1 CB10047 [1,1,0,0,0,0|1,0,0]=3 364 B12R2.24 c1cc(cc2c1ccnc2)Br PB34202 [1,1,0,0,0,0|2,0,0]=4 365 B12R2.24 c1cc(cc2c1ccnc2)Cl MB00648 [1,1,0,0,0,0|2,0,0]=4 366 B12R2.24 c1cc(cc2c1ccnc2)F MB09751 [1,1,0,0,0,0|2,0,0]=4 367 B12R2.24 c1cc(cc2c1ccnc2)I MB09748 [1,1,0,0,0,0|2,0,0]=4 368 B12R2.24 c1cc(cc2c1ccnc2)N MB06457 [1,1,0,0,0,0|2,0,0]=4 369 B12R2.24 c1cc(cc2c1ccnc2)O MB01177 [1,1,0,0,0,0|2,0,0]=4 370 B12R2.24 c1cc(nc2c1cncc2)Br MB04110 [1,1,0,0,0,0|1,0,0]=3 371 B12R2.24 c1cc(nc2c1cncc2)Cl MB09141 [1,1,0,0,0,0|1,0,0]=3 372 B12R2.24 c1cc(nc2c1cncc2)N MB01025 [1,1,0,0,0,0|1,0,0]=3 373 B12R2.24 c1cc2c(cc(cn2)Br)nc1 AB64897 [1,1,0,0,0,0|1,0,0]=3 374 B12R2.24 c1cc2c(cc(cn2)N)nc1 AB68450 [1,1,0,0,0,0|1,0,0]=3 375 B12R2.24 c1cc2c(cc1Br)C=CCO2 AB56471 [1,1,0,0,0,0|1,0,1]=4 376 B12R2.24 c1cc2c(cc1Br)cncn2 PB12515 [1,1,0,0,0,0|1,0,0]=3 377 B12R2.24 c1cc2c(cc1Br)nccn2 AB07430 [1,1,0,0,0,0|1,0,0]=3 378 B12R2.24 c1cc2c(cc1Cl)cncn2 MB09911 [1,1,0,0,0,0|1,0,0]=3 379 B12R2.24 c1cc2c(cc1I)cncn2 MB07778 [1,1,0,0,0,0|1,0,0]=3 380 B12R2.24 c1cc2c(cc1N)cncn2 AB60729 [1,1,0,0,0,0|1,0,0]=3 381 B12R2.24 c1cc2c(cc1N)nccn2 AB06131 [1,1,0,0,0,0|1,0,0]=3 382 B12R2.24 c1cc2c(cc1O)cncn2 MB01173 [1,1,0,0,0,0|1,0,0]=3 383 B12R2.24 c1cc2c(ccc(n2)Br)nc1 AB05219 [1,1,0,0,0,0|1,0,0]=3 384 B12R2.24 c1cc2c(ccc(n2)Cl)nc1 PB18055 [1,1,0,0,0,0|1,0,0]=3 385 B12R2.24 c1cc2c(ccc(n2)N)nc1 AB08278 [1,1,0,0,0,0|1,0,0]=3 386 B12R2.24 c1cc2c(cnc(n2)Cl)nc1 PB28512 [1,1,0,0,0,0|2,0,0]=4 387 B12R2.24 c1cc2c(nc1)ncc(n2)Cl AB27598 [1,1,0,0,0,0|2,0,0]=4 388 B12R2.24 c1cc2cc(ccc2nc1)Br AB01417 [1,1,0,0,0,0|0,0,0]=2 389 B12R2.24 c1cc2cc(cnc2nc1)Br AB17834 [1,1,0,0,0,0|1,0,0]=3 390 B12R2.24 c1cc2ccc(=O)[nH]c2nc1 PB26329 [1,1,0,0,0,0|1,0,0]=3 391 B12R2.24 c1cc2ccc(cc2nc1)Br AB15717 [1,1,0,0,0,0|0,0,0]=2 392 B12R2.24 c1cc2ccc(nc2nc1)Br AB05221 [1,1,0,0,0,0|1,0,0]=3 393 B12R2.24 c1cc2ccc(nc2nc1)Cl AB05225 [1,1,0,0,0,0|1,0,0]=3 394 B12R2.24 c1cc2ccc(nc2nc1)N AB08428 [1,1,0,0,0,0|1,0,0]=3 395 B12R2.24 c1cc2cnc(nc2nc1)Cl PB31117 [1,1,0,0,0,0|2,0,0]=4 396 B12R2.24 c1cc2cnccc2cc1Br PB29336 [1,1,0,0,0,0|2,0,0]=4 397 B12R2.24 c1cc2cnccc2cc1Cl MB08350 [1,1,0,0,0,0|2,0,0]=4 398 B12R2.24 c1cc2cnccc2cc1F MB09677 [1,1,0,0,0,0|2,0,0]=4 399 B12R2.24 c1cc2cnccc2cc1I MB09307 [1,1,0,0,0,0|2,0,0]=4 400 B12R2.24 c1cc2cnccc2cc1N AB19123 [1,1,0,0,0,0|2,0,0]=4 401 B12R2.24 c1cc2cnccc2cc1O AB19117 [1,1,0,0,0,0|2,0,0]=4 402 B12R2.24 c1cc2cncnc2cc1Br PB23522 [1,1,0,0,0,0|1,0,0]=3 403 B12R2.24 c1cc2cncnc2cc1Cl MB00894 [1,1,0,0,0,0|1,0,0]=3 404 B12R2.24 c1cc2cncnc2cc1N AB60731 [1,1,0,0,0,0|1,0,0]=3 405 B12R2.24 c1cc2cncnc2cc1O AB60737 [1,1,0,0,0,0|1,0,0]=3 406 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [1,1,0,0,0,0|1,0,0]=3 407 B12R2.24 c1ccc2c(c1)cc(cn2)Br AB00810 [1,1,0,0,0,0|0,0,0]=2 408 B12R2.24 c1ccc2c(c1)ccc(n2)Br MB01039 [1,1,0,0,0,0|0,0,0]=2 409 B12R2.24 c1ccc2c(c1)ccc(n2)Cl AB00798 [1,1,0,0,0,0|0,0,0]=2 410 B12R2.24 c1ccc2c(c1)cnc(n2)Cl AB55617 [1,1,0,0,0,0|1,0,0]=3 411 B12R2.24 c1ccc2c(c1)cnc(n2)N AB07784 [1,1,0,0,0,0|1,0,0]=3 412 B12R2.24 c1ccc2c(c1)ncc(n2)Br AB31889 [1,1,0,0,0,0|1,0,0]=3 413 B12R2.24 c1ccc2c(c1)ncc(n2)N MB00639 [1,1,0,0,0,0|1,0,0]=3 414 B12R2.24 c1ccc2cnc(cc2c1)Br PB12162 [1,1,0,0,0,0|2,0,0]=4 415 B12R2.24 c1ccc2cnc(cc2c1)Cl PB18703 [1,1,0,0,0,0|2,0,0]=4 416 B12R2.24 c1ccc2cnc(cc2c1)N AB03416 [1,1,0,0,0,0|2,0,0]=4 417 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [1,1,0,0,0,0|2,0,0]=4 418 B12R2.24 c1cnc2c(n1)cc(cn2)Br PB30680 [1,1,0,0,0,0|2,0,0]=4 419 B12R2.24 c1cncc2=CCC(=O)N=c21 AB42569 [1,1,0,0,0,0|1,0,1]=4 420 B12R2.24 c1cncc2c1cnc(n2)Cl PB11204 [1,1,0,0,0,0|2,0,0]=4 421 B12R2.132 c1cc(nc2c1scc2Br)Cl PB11046 [0,1,0,0,1,0|2,0,0]=4 422 B12R2.196 Cc1csc2c1nccc2Cl PB28684 [0,1,0,0,1,0|2,0,0]=4 423 B12R2.196 Cn1ccc2c1nccc2Br PB15126 [0,1,0,0,1,0|2,0,0]=4 424 B12R2.196 Cn1ccc2c1nccc2Cl PB20579 [0,1,0,0,1,0|2,0,0]=4 425 B12R2.612 C1C=C(C=C2C1=C(C=N2)O)Br AB60347 [0,1,0,0,1,0|2,0,0]=4 426 B12R2.612 Cn1ccc2c1ncc(c2)Br PB24178 [0,1,0,0,1,0|2,0,0]=4 427 B12R2.612 Cn1ccc2c1ncc(c2)N PB19323 [0,1,0,0,1,0|2,0,0]=4 428 B12R2.612 Cn1ccc2c1ncc(c2)O AB48843 [0,1,0,0,1,0|2,0,0]=4 429 B12R2.2028 Cn1cc(c2c1nccc2)Br AB51141 [0,1,0,0,1,0|2,0,0]=4 430 B12R2.2028 c1cc2c(nc1)C(=O)NC2=O AB01342 [0,1,0,0,1,0|1,0,1]=4 431 B12R2.2028 c1cc2c(nc1)C(=O)OC2=O PB28943 [0,1,0,0,1,0|1,0,1]=4 432 B12R2.82 C1C=C2C=CN=C2C(=C1Cl)Cl PB11169 [0,1,0,0,1,0|1,0,1]=4 433 B12R2.82 Cc1cnc2ccnn2c1O AB63881 [0,1,0,0,1,0|2,0,0]=4 434 B12R2.82 c1cc(c(c2c1cco2)Br)F MB06990 [0,1,0,0,1,0|2,0,0]=4 435 B12R2.202 Cc1cc2c(o1)ccnc2O AB63957 [0,1,0,0,1,0|2,0,0]=4 436 B12R2.202 Cc1cccc2=NC(=O)N=c12 AB44499 [0,1,0,0,1,0|2,0,0]=4 437 B12R2.202 Cc1cccc2c1nc(o2)S AB64565 [0,1,0,0,1,0|2,0,0]=4 438 B12R2.202 Cc1cccc2c1nc(s2)Br AB16505 [0,1,0,0,1,0|2,0,0]=4 439 B12R2.202 Cc1cccc2c1nc(s2)Cl AB16506 [0,1,0,0,1,0|2,0,0]=4 440 B12R2.202 Cc1cccc2c1nc(s2)O AB16509 [0,1,0,0,1,0|2,0,0]=4 441 B12R2.202 Cc1cccc2c1nc(s2)S AB62961 [0,1,0,0,1,0|2,0,0]=4 442 B12R2.202 Cc1cccn2c1nc(c2)C AB63390 [0,1,0,0,1,0|2,0,0]=4 443 B12R2.202 Cc1nc2c(cccc2o1)O MB20022 [0,1,0,0,1,0|1,0,0]=3 444 B12R2.202 Cc1nc2c(s1)cccc2Cl MB01603 [0,1,0,0,1,0|2,0,0]=4 445 B12R2.202 Cn1cc2cccc(c2n1)Br PB31415 [0,1,0,0,1,0|2,0,0]=4 446 B12R2.202 Cn1cc2cccc(c2n1)I PB25464 [0,1,0,0,1,0|2,0,0]=4 447 B12R2.202 Cn1cc2cccc(c2n1)N PB18621 [0,1,0,0,1,0|2,0,0]=4 448 B12R2.202 c1cc(c2c(c1)oc(n2)S)N AB66123 [0,1,0,0,1,0|2,0,0]=4 449 B12R2.202 c1cc(c2c(c1)sc(n2)Br)F AB16679 [0,1,0,0,1,0|2,0,0]=4 450 B12R2.202 c1cc(c2c(c1)sc(n2)S)N AB66148 [0,1,0,0,1,0|2,0,0]=4 451 B12R2.202 c1cc2c(c(c1)Br)nc(s2)Cl AB20895 [0,1,0,0,1,0|2,0,0]=4 452 B12R2.202 c1cc2c(c(c1)Cl)nc(o2)S AB66129 [0,1,0,0,1,0|2,0,0]=4 453 B12R2.202 c1cc2c(c(c1)Cl)nc(s2)S AB23779 [0,1,0,0,1,0|2,0,0]=4 454 B12R2.202 c1cc2c(c(c1)F)nc(o2)Cl AB70786 [0,1,0,0,1,0|2,0,0]=4 455 B12R2.202 c1cc2c(c(c1)O)CC(=O)N2 AB13551 [0,1,0,0,1,0|1,0,1]=4 456 B12R2.202 c1cc2c(cc(s2)N)c(c1)Br PB35935 [0,1,0,0,1,0|2,0,0]=4 457 B12R2.202 c1cc2cc(sc2c(c1)Br)N PB11619 [0,1,0,0,1,0|2,0,0]=4 458 B12R2.221 C1=CN=C2C1C(=CC=C2Br)F PB32352 [0,1,0,0,1,0|1,0,1]=4 459 B12R2.221 C1=CN=C2C1C(=CC=C2F)F MB01667 [0,1,0,0,1,0|1,0,1]=4 460 B12R2.221 c1cc(c2c(c1F)cco2)Br MB06970 [0,1,0,0,1,0|2,0,0]=4 461 B12R2.221 c1cc(c2ccoc2c1Cl)Br MB10392 [0,1,0,0,1,0|2,0,0]=4 462 B12R2.221 c1cc(c2ccoc2c1F)Br MB10389 [0,1,0,0,1,0|2,0,0]=4 463 B12R2.221 c1cc(c2ccoc2c1N)Br MB08877 [0,1,0,0,1,0|2,0,0]=4 464 B12R2.246 Cc1cc(cc2c1occ2)Br MB10399 [0,1,0,0,1,0|2,0,0]=4 465 B12R2.246 Cc1cc(n2c(n1)ccn2)O AB03426 [0,1,0,0,1,0|2,0,0]=4 466 B12R2.246 Cc1cc2ccoc2c(c1)Br MB10395 [0,1,0,0,1,0|2,0,0]=4 467 B12R2.246 c1c(c2cscc2nc1O)O AB56180 [0,1,0,0,1,0|2,0,0]=4 468 B12R2.246 c1c(cc(c2=CCN=c21)O)Br AB31563 [0,1,0,0,1,0|1,0,1]=4 469 B12R2.246 c1c(cc(c2=NCC=c21)F)Br PB10286 [0,1,0,0,1,0|1,0,1]=4 470 B12R2.246 c1c(cc(c2=NCC=c21)F)F MB01671 [0,1,0,0,1,0|1,0,1]=4 471 B12R2.246 c1c(cc(c2=NCC=c21)F)N PB19319 [0,1,0,0,1,0|1,0,1]=4 472 B12R2.246 c1cn2cc(cc(c2n1)N)Br PB26358 [0,1,0,0,1,0|2,0,0]=4 473 B12R2.246 c1coc2c1cc(cc2Br)Br MB10026 [0,1,0,0,1,0|2,0,0]=4 474 B12R2.246 c1coc2c1cc(cc2Br)Cl MB06992 [0,1,0,0,1,0|2,0,0]=4 475 B12R2.246 c1coc2c1cc(cc2Br)F MB06968 [0,1,0,0,1,0|2,0,0]=4 476 B12R2.246 c1coc2c1cc(cc2Br)O MB10400 [0,1,0,0,1,0|2,0,0]=4 477 B12R2.246 c1coc2c1cc(cc2Cl)Br MB10408 [0,1,0,0,1,0|2,0,0]=4 478 B12R2.246 c1coc2c1cc(cc2F)Br MB06987 [0,1,0,0,1,0|2,0,0]=4 479 B12R2.246 c1coc2c1cc(cc2N)Br MB10410 [0,1,0,0,1,0|2,0,0]=4 480 B12R2.246 c1coc2c1cc(cc2O)F AB31653 [0,1,0,0,1,0|1,0,0]=3 481 B12R2.246 c1csc2c1c(cc(n2)O)O AB56046 [0,1,0,0,1,0|2,0,0]=4 482 B12R2.246 c1csc2c1nc(cc2O)O AB43121 [0,1,0,0,1,0|2,0,0]=4 483 B12R2.315 COC1=C2C(=CC=N2)C=CC1 AB02030 [0,1,0,0,1,0|0,0,1]=3 484 B12R2.315 COC1=C2C(=CC=N2)C=NC1 PB37842 [0,1,0,0,1,0|1,0,1]=4 485 B12R2.315 COC1=C2C(=CC=N2)N=CC1 PB19324 [0,1,0,0,1,0|1,0,1]=4 486 B12R2.315 COC1=C2C(=CN=N2)C=CC1 PB32675 [0,1,0,0,1,0|1,0,1]=4 487 B12R2.315 COC1=C2C=CN=C2C=CC1 PB19861 [0,1,0,0,1,0|1,0,1]=4 488 B12R2.315 COC1=NC=CC2C1=NC=C2 PB25221 [0,1,0,0,1,0|1,0,1]=4 489 B12R2.315 COc1c2c(ccn1)cco2 PB29696 [0,1,0,0,1,0|2,0,0]=4 490 B12R2.315 COc1c2nccn2ccn1 AB53132 [0,1,0,0,1,0|2,0,0]=4 491 B12R2.315 c1cc(c2c(c1)N=CC2)CO AB09515 [0,1,0,0,1,0|1,0,1]=4 492 B12R2.315 c1cc(c2ccoc2c1)C#N MB08822 [0,1,0,0,1,0|2,0,0]=4 493 B12R2.315 c1cc(c2ccoc2c1)C=O MB08826 [0,1,0,0,1,0|1,0,1]=4 494 B12R2.315 c1cc(c2ccoc2c1)CO MB08830 [0,1,0,0,1,0|1,0,0]=3 495 B12R2.315 c1cc(c2nccn2c1)C#N PB23788 [0,1,0,0,1,0|2,0,0]=4 496 B12R2.315 c1cc(c2nccn2c1)C=O PB17375 [0,1,0,0,1,0|1,0,1]=4 497 B12R2.315 c1cc(c2nccn2c1)CN AB61210 [0,1,0,0,1,0|2,0,0]=4 498 B12R2.315 c1cc(c2nccn2c1)CO PB25508 [0,1,0,0,1,0|1,0,0]=3 499 B12R2.315 c1cc2c(nccn2c1)CO PB37821 [0,1,0,0,1,0|2,0,0]=4 500 B12R2.315 c1cc2ccnn2c(c1)C=O AB28423 [0,1,0,0,1,0|1,0,1]=4 501 B12R2.315 c1cc2ccnn2c(c1)CN AB28982 [0,1,0,0,1,0|2,0,0]=4 502 B12R2.315 c1cc2ccnn2c(c1)CO AB28976 [0,1,0,0,1,0|1,0,0]=3 503 B12R2.315 c1cc2ccsc2c(c1)C=O MB06402 [0,1,0,0,1,0|1,0,1]=4 504 B14R2.287 c1cc2c(ccc(=O)nc2nc1)O AB43870 [0,1,0,0,0,1|0,0,1]=3 505 B14R2.92 c1cc2ccc(c(c2nc1)N)C=O CB11487 [0,2,0,0,0,0|1,0,0]=3 506 B14R2.203 c1cc2c(c(c(cn2)O)C=O)nc1 CB11979 [0,2,0,0,0,0|1,0,1]=4 507 B14R2.203 c1ccc2c(c1)ccc(c2CN)O AB09123 [0,2,0,0,0,0|2,0,0]=4 508 B14R2.203 c1ccc2c(c1)ccc(c2CN)O AB42933 [0,2,0,0,0,0|2,0,0]=4 509 B14R2.4513 Cc1ccc2ccc(c(c2n1)C)Cl AB52384 [0,2,0,0,0,0|1,0,0]=3 510 B14R2.4513 Cc1ccc2ccc(nc2c1C)C AB45157 [0,2,0,0,0,0|1,0,0]=3 511 B14R2.4513 c1cc(c(c2c1ccc(=O)o2)O)O PB17055 [0,2,0,0,0,0|1,0,0]=3 512 B14R2.8038 Cc1c(ccc2c1nccc2Cl)Cl AB12565 [0,2,0,0,0,0|1,0,0]=3 513 B14R2.8038 Cc1c(ccc2c1nccc2N)Cl AB52078 [0,2,0,0,0,0|1,0,0]=3 514 B14R2.8038 Cc1c(ccc2c1nccc2O)Cl AB05696 [0,2,0,0,0,0|1,0,0]=3 515 B14R2.8038 Cc1ccc2c(ccnc2c1C)Cl AB42065 [0,2,0,0,0,0|1,0,0]=3 516 B14R2.8038 Cc1ccc2c(ccnc2c1C)N AB52076 [0,2,0,0,0,0|1,0,0]=3 517 B14R2.8038 Cc1ccc2c(ccnc2c1C)O AB05733 [0,2,0,0,0,0|1,0,0]=3 518 B14R2.8038 c1cc(c(c2c1c(ccn2)Cl)Cl)Cl AB52012 [0,2,0,0,0,0|1,0,0]=3 519 B14R2.8038 c1cc(c(c2c1c(ccn2)N)Cl)Cl AB52073 [0,2,0,0,0,0|1,0,0]=3 520 B14R2.8038 c1cc(c(c2c1c(ccn2)O)Cl)Cl AB05718 [0,2,0,0,0,0|1,0,0]=3 521 B14R2.8038 c1cnc(c2c1c(c(cn2)Cl)Cl)Cl PB30374 [0,2,0,0,0,0|2,0,0]=4 522 B14R2.8188 Cc1c(nc2ccccc2c1O)C AB50455 [0,2,0,0,0,0|2,0,0]=4 523 B14R2.28523 Cn1c(=O)ccc2c1c(ccc2)Br MB10242 [0,2,0,0,0,0|1,0,1]=4 524 B14R2.142 CCc1ccc2c(c1)c(ccn2)O AB11881 [0,2,0,0,0,0|2,0,0]=4 525 B14R2.142 COc1ccc2c(c1)c(ccn2)O AB01174 [0,2,0,0,0,0|2,0,0]=4 526 B14R2.142 COc1ccc2c(n1)c(ccn2)Cl PB20315 [0,2,0,0,0,0|2,0,0]=4 527 B14R2.142 COc1ccc2cc[nH]c(=O)c2n1 AB85019 [0,2,0,0,0,0|1,0,1]=4 528 B14R2.142 COc1ccc2cccc(c2c1)Cl AB44054 [0,2,0,0,0,0|2,0,0]=4 529 B14R2.142 COc1ccc2cccc(c2c1)N AB44293 [0,2,0,0,0,0|2,0,0]=4 530 B14R2.142 COc1ccc2cccc(c2n1)Br MB10603 [0,2,0,0,0,0|1,0,0]=3 531 B14R2.142 c1cc2c(cc1C#N)c(ccn2)O CB11067 [0,2,0,0,0,0|2,0,0]=4 532 B14R2.142 c1cc2ccc(nc2c(c1)Br)CBr AB65964 [0,2,0,0,0,0|1,0,0]=3 533 B14R2.8045 Cc1cc(c2c(c1)c(=O)[nH]cn2)C AB21790 [0,2,0,0,0,0|2,0,0]=4 534 B14R2.8045 Cc1cc(c2c(c1)c(ccn2)Cl)C AB03219 [0,2,0,0,0,0|1,0,0]=3 535 B14R2.8045 Cc1cc(c2c(c1)c(ccn2)N)C AB49057 [0,2,0,0,0,0|1,0,0]=3 536 B14R2.8045 Cc1cc(c2c(c1)c(ccn2)O)C AB05730 [0,2,0,0,0,0|1,0,0]=3 537 B14R2.8045 Cc1cc(c2c(c1)c(ncn2)Cl)C AB45616 [0,2,0,0,0,0|2,0,0]=4 538 B14R2.8045 Cc1cc(c2cccc(c2n1)Br)Cl AB05684 [0,2,0,0,0,0|1,0,0]=3 539 B14R2.8045 Cc1cc(c2cccc(c2n1)Br)N AB46032 [0,2,0,0,0,0|1,0,0]=3 540 B14R2.8045 Cc1cc(c2cccc(c2n1)Br)O AB06321 [0,2,0,0,0,0|1,0,0]=3 541 B14R2.8045 Cc1cc(c2cccc(c2n1)Cl)Cl AB05660 [0,2,0,0,0,0|1,0,0]=3 542 B14R2.8045 Cc1cc(c2cccc(c2n1)Cl)N AB10438 [0,2,0,0,0,0|1,0,0]=3 543 B14R2.8045 Cc1cc(c2cccc(c2n1)Cl)O AB03452 [0,2,0,0,0,0|1,0,0]=3 544 B14R2.8045 Cc1cc(c2cccc(c2n1)F)Cl AB05610 [0,2,0,0,0,0|1,0,0]=3 545 B14R2.8045 Cc1cc(c2cccc(c2n1)F)N AB52090 [0,2,0,0,0,0|1,0,0]=3 546 B14R2.8045 Cc1cc(c2cccc(c2n1)F)O AB05637 [0,2,0,0,0,0|1,0,0]=3 547 B14R2.8045 Cc1cc(cc2c1nccc2Br)Cl AB42132 [0,2,0,0,0,0|1,0,0]=3 548 B14R2.8045 Cc1cc(cc2c1nccc2Cl)Cl AB52009 [0,2,0,0,0,0|1,0,0]=3 549 B14R2.8045 Cc1cc(cc2c1nccc2N)Cl AB52063 [0,2,0,0,0,0|1,0,0]=3 550 B14R2.8045 Cc1cc(cc2c1nccc2O)Cl AB05694 [0,2,0,0,0,0|1,0,0]=3 551 B14R2.8045 Cc1cc2c(ccnc2c(c1)Cl)Cl AB52016 [0,2,0,0,0,0|1,0,0]=3 552 B14R2.8045 Cc1cc2c(ccnc2c(c1)Cl)N AB52086 [0,2,0,0,0,0|1,0,0]=3 553 B14R2.8045 Cc1cc2c(ccnc2c(c1)Cl)O AB05700 [0,2,0,0,0,0|1,0,0]=3 554 B14R2.8045 Cc1cccc2c1nc(cc2C)C AB05600 [0,2,0,0,0,0|1,0,0]=3 555 B14R2.8045 Cc1cccc2c1nc(cc2Cl)C AB05627 [0,2,0,0,0,0|1,0,0]=3 556 B14R2.8045 Cc1cccc2c1nc(cc2N)C AB46037 [0,2,0,0,0,0|1,0,0]=3 557 B14R2.8045 Cc1cccc2c1nc(cc2O)C AB03395 [0,2,0,0,0,0|1,0,0]=3 558 B14R2.8045 Cc1cccc2c1nc(nc2O)C AB63500 [0,2,0,0,0,0|2,0,0]=4 559 B14R2.8045 c1c(cc(c2c1c(=O)[nH]cn2)Br)F MB14467 [0,2,0,0,0,0|2,0,0]=4 560 B14R2.8045 c1c(cc(c2c1c(ncn2)Cl)Cl)Cl AB26749 [0,2,0,0,0,0|2,0,0]=4 561 B14R2.8045 c1c(cc(c2c1c(ncn2)O)Br)Br AB03474 [0,2,0,0,0,0|2,0,0]=4 562 B14R2.8045 c1cc(c2nc(cc(=O)n2c1)Cl)O PB11572 [0,2,0,0,0,0|1,0,0]=3 563 B14R2.8045 c1cc2c(c(c1)Br)nc(nc2Cl)Cl CB11403 [0,2,0,0,0,0|2,0,0]=4 564 B14R2.8045 c1cnc2c(c1Cl)cc(cc2Cl)Cl AB43468 [0,2,0,0,0,0|1,0,0]=3 565 B14R2.8045 c1cnc2c(c1N)cc(cc2Cl)Cl AB43471 [0,2,0,0,0,0|1,0,0]=3 566 B14R2.8045 c1cnc2c(c1O)cc(cc2Cl)Cl AB05654 [0,2,0,0,0,0|1,0,0]=3 567 B14R2.8235 Cc1cc(c2cc(ccc2n1)Br)O AB06317 [0,2,0,0,0,0|2,0,0]=4 568 B14R2.8235 Cc1cc(cc2c1[nH]c(=O)cc2)Br MB09777 [0,2,0,0,0,0|1,0,1]=4 569 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)C)O AB05586 [0,2,0,0,0,0|2,0,0]=4 570 B14R2.8235 Cc1ccc2cc(cc(c2n1)C)C AB51628 [0,2,0,0,0,0|1,0,0]=3 571 B14R2.8235 Cc1ccc2cc(cc(c2n1)C)Cl AB44505 [0,2,0,0,0,0|1,0,0]=3 572 B14R2.8235 c1c(cc(c2c1cnc(n2)Cl)Br)F PB16788 [0,2,0,0,0,0|2,0,0]=4 573 B14R2.8235 c1c(cc(c2c1cnc(n2)Cl)F)Br PB22858 [0,2,0,0,0,0|2,0,0]=4 574 B14R2.8235 c1cc2c(cc1Cl)c(cc(n2)N)O MB05719 [0,2,0,0,0,0|2,0,0]=4 575 B14R2.8751 Cc1ccc(c2c1ccc(n2)C)C AB51613 [0,2,0,0,0,0|1,0,0]=3 576 B14R2.8751 Cc1ccc(c2c1nc(cc2)C)Cl AB52226 [0,2,0,0,0,0|1,0,0]=3 577 B14R2.11684 CCc1cccc2c1nc(cc2)C AB52468 [0,2,0,0,0,0|1,0,0]=3 578 B14R2.28472 Cc1cc2c(ccnc2cc1C)O AB05728 [0,2,0,0,0,0|2,0,0]=4 579 B14R2.28472 Cc1cccc2c1nc(c(c2)C)Cl AB42069 [0,2,0,0,0,0|1,0,0]=3 580 B14R2.28472 Cc1cccc2c1nc(c(c2)C)N AB05779 [0,2,0,0,0,0|1,0,0]=3 581 B14R2.28472 c1cnc2cc(c(cc2c1O)Cl)Cl AB05716 [0,2,0,0,0,0|2,0,0]=4 582 B14R2.1019 COc1cc2cccnc2c(c1)N CB10417 [0,2,0,0,0,0|1,0,0]=3 583 B14R2.1146 COc1cc(nc2c1cccc2)Cl AB55891 [0,2,0,0,0,0|2,0,0]=4 584 B14R2.1146 COc1cc(nc2c1cccc2)O AB09148 [0,2,0,0,0,0|2,0,0]=4 585 B14R2.28480 Cc1cc(c2c(ccnc2c1)O)C AB05722 [0,2,0,0,0,0|2,0,0]=4 586 B14R2.28480 c1cnc2cc(cc(c2c1O)Cl)Cl AB04933 [0,2,0,0,0,0|2,0,0]=4 587 B14R2.29365 Cc1cc(c2ccc(cc2n1)Cl)O AB05588 [0,2,0,0,0,0|2,0,0]=4 588 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)O AB12584 [0,2,0,0,0,0|2,0,0]=4 589 B14R2.29365 Cc1ccc2c(c1)nc(cc2O)C AB09283 [0,2,0,0,0,0|2,0,0]=4 590 B14R2.1078 CCc1cccc2c1nccc2Cl AB03222 [0,2,0,0,0,0|1,0,0]=3 591 B14R2.1078 CCc1cccc2c1nccc2N AB52089 [0,2,0,0,0,0|1,0,0]=3 592 B14R2.1078 CCc1cccc2c1nccc2O AB03226 [0,2,0,0,0,0|1,0,0]=3 593 B14R2.1078 COc1cccc2c1cc[nH]c2=O AB06974 [0,2,0,0,0,0|2,0,0]=4 594 B14R2.1078 COc1cccc2c1ccnc2Cl AB64602 [0,2,0,0,0,0|2,0,0]=4 595 B14R2.1078 COc1cccc2c1ccnc2N AB69444 [0,2,0,0,0,0|2,0,0]=4 596 B14R2.1078 COc1cccc2c1nccc2Cl AB01541 [0,2,0,0,0,0|0,0,0]=2 597 B14R2.1078 COc1cccc2c1nccc2N AB43466 [0,2,0,0,0,0|0,0,0]=2 598 B14R2.1078 COc1cccc2c1nccc2O AB12575 [0,2,0,0,0,0|0,0,0]=2 599 B14R2.1078 COc1ccnc2c1cc[nH]c2=O AB85038 [0,2,0,0,0,0|1,0,1]=4 600 B14R2.1078 Cc1cccc2c1nccc2NN AB05750 [0,2,0,0,0,0|1,0,0]=3 601 B14R2.1078 c1cc2c(ccnc2c(c1)Br)C#N CB11610 [0,2,0,0,0,0|1,0,0]=3 602 B14R2.1078 c1cc2c(ccnc2c(c1)Br)C=O CB10968 [0,2,0,0,0,0|1,0,0]=3 603 B14R2.1078 c1cc2c(ccnc2c(c1)Br)CO CB11678 [0,2,0,0,0,0|1,0,0]=3 604 B14R2.1078 c1cc2c(ccnc2c(c1)Br)NN AB52460 [0,2,0,0,0,0|1,0,0]=3 605 B14R2.1078 c1cc2c(ccnc2c(c1)Cl)NN AB45098 [0,2,0,0,0,0|1,0,0]=3 606 B14R2.1078 c1cc2c(ccnc2c(c1)F)NN AB05761 [0,2,0,0,0,0|1,0,0]=3 607 B14R2.8051 Cc1ccc(c2c1c(ccn2)Cl)C AB42059 [0,2,0,0,0,0|1,0,0]=3 608 B14R2.8051 Cc1ccc(c2c1c(ccn2)N)C AB52043 [0,2,0,0,0,0|1,0,0]=3 609 B14R2.8051 Cc1ccc(c2c1c(ccn2)O)C AB05726 [0,2,0,0,0,0|1,0,0]=3 610 B14R2.8051 Cc1ccc(c2c1nccc2Cl)Cl AB52005 [0,2,0,0,0,0|1,0,0]=3 611 B14R2.8051 Cc1ccc(c2c1nccc2N)Cl AB52048 [0,2,0,0,0,0|1,0,0]=3 612 B14R2.8051 Cc1ccc(c2c1nccc2O)Cl AB05693 [0,2,0,0,0,0|1,0,0]=3 613 B14R2.8051 c1cc(c2c(c1Cl)c(ccn2)Cl)Cl AB52003 [0,2,0,0,0,0|1,0,0]=3 614 B14R2.8051 c1cc(c2c(c1Cl)c(ccn2)N)Cl AB52039 [0,2,0,0,0,0|1,0,0]=3 615 B14R2.8051 c1cc(c2c(c1Cl)c(ccn2)O)Cl AB05645 [0,2,0,0,0,0|1,0,0]=3 616 B14R2.1131 c1cc2c(ccc(c2nc1)C=O)Br AB43508 [0,2,0,0,0,0|0,0,1]=3 617 B14R2.1131 c1ccc2c(c1)c(ccc2Br)CBr AB30817 [0,2,0,0,0,0|2,0,0]=4 618 B14R2.1131 c1ccc2c(c1)c(ccc2Cl)NN AB27887 [0,2,0,0,0,0|2,0,0]=4 619 B14R2.1073 COc1cccc2c1ccc(=O)[nH]2 MB10591 [0,2,0,0,0,0|2,0,0]=4 620 B14R2.1073 COc1ccnc2c1ccc(c2)Cl MB01887 [0,2,0,0,0,0|2,0,0]=4 621 B14R2.7150 CNCc1cccc2c1cccc2 AB01101 [0,2,0,0,0,0|2,0,0]=4 622 B14R2.7150 CNCc1cccc2c1cccc2 AB03923 [0,2,0,0,0,0|2,0,0]=4 623 B14R2.7150 CNCc1cccc2c1nccc2 AB28130 [0,2,0,0,0,0|1,0,0]=3 624 B14R2.7150 c1ccc2c(c1)cccc2N=C=O AB00331 [0,2,0,0,0,0|1,0,1]=4 625 B14R2.31359 B(c1cccc2c1cccc2)(O)O AB01263 [0,2,0,0,0,0|1,0,0]=3 626 B14R2.31359 B(c1cccc2c1cccn2)(O)O AB13438 [0,2,0,0,0,0|2,0,0]=4 627 B14R2.31359 B(c1cccc2c1nccc2)(O)O AB08338 [0,2,0,0,0,0|0,0,0]=2 628 B14R2.31359 B(c1ccnc2c1cccc2)(O)O AB13541 [0,2,0,0,0,0|2,0,0]=4 629 B14R2.31359 B(c1cncc2c1cccc2)(O)O AB14365 [0,2,0,0,0,0|2,0,0]=4 630 B14R2.31359 B(c1cncc2c1cccc2)(O)O AB22278 [0,2,0,0,0,0|2,0,0]=4 631 B14R2.31359 c1cc(c2c(c1)nccn2)C(=O)O AB12722 [0,2,0,0,0,0|1,0,0]=3 632 B14R2.31359 c1cc(c2cccnc2c1)C(=O)O AB02057 [0,2,0,0,0,0|2,0,0]=4 633 B14R2.31359 c1cc2c(c(c1)[N+](=O)[O-])nccn2 AB09747 [0,2,0,0,0,0|1,0,1]=4 634 B14R2.31359 c1cc2ccnc(c2nc1)C(=O)O AB64973 [0,2,0,0,0,0|1,0,0]=3 635 B14R2.31359 c1cc2ccncc2c(c1)C(=O)O AB28217 [0,2,0,0,0,0|2,0,0]=4 636 B14R2.31359 c1cc2cnccc2c(c1)C(=O)O AB16077 [0,2,0,0,0,0|2,0,0]=4 637 B14R2.31359 c1ccc2c(c1)cccc2C(=N)N AB18265 [0,2,0,0,0,0|2,0,0]=4 638 B14R2.31359 c1ccc2c(c1)cncc2C(=O)O AB03356 [0,2,0,0,0,0|2,0,0]=4 639 B14R2.1801 COc1cc2c(c(ccn2)Cl)nc1 PB16432 [0,2,0,0,0,0|2,0,0]=4 640 B14R2.1801 COc1ccc2c(c1)cccc2Br MB03398 [0,2,0,0,0,0|2,0,0]=4 641 B14R2.1801 COc1ccc2c(c1)ccnc2O AB64610 [0,2,0,0,0,0|2,0,0]=4 642 B14R2.1801 COc1ccc2c(ccnc2c1)O AB04264 [0,2,0,0,0,0|2,0,0]=4 643 B14R2.1801 c1cc2c(ccnc2cc1C#N)O CB11061 [0,2,0,0,0,0|2,0,0]=4 644 B12R2.2 c1ccnc(c1)c2[nH]ccn2 AB22499 [0,0,1,1,0,0|2,0,0]=4 645 B12R2.32 c1ccc2c(c1)cc(o2)C=O CB10104 [0,0,1,1,0,0|2,0,0]=4 646 B12R2.32 c1ccc2c(c1)nc(o2)CCl AB22415 [0,0,1,1,0,0|1,0,1]=4 647 B12R2.32 c1ccc2c(c1)nc(o2)CN AB16902 [0,0,1,1,0,0|1,0,1]=4 648 B12R2.32 c1ccc2c(c1)nc(o2)NN AB03197 [0,0,1,1,0,0|2,0,0]=4 649 B12R2.32 c1ccc2c(c1)nc(s2)C=O AB06418 [0,0,1,1,0,0|1,1,0]=4 650 B10R2.7 C1=CC2C(=NC=N2)C=C1 AB56425 [1,0,0,0,1,0|1,0,1]=4 651 B10R2.7 C1=CC2C=NN=C2C=C1 PB23156 [1,0,0,0,1,0|1,0,1]=4 652 B10R2.7 C1C=CN=C2C1=NC=C2 PB18523 [1,0,0,0,1,0|1,0,1]=4 653 B10R2.7 c1cc2c(cco2)nc1 PB26741 [1,0,0,0,1,0|1,0,0]=3 654 B10R2.7 c1cc2c(ccs2)nc1 PB25371 [1,0,0,0,1,0|1,0,0]=3 655 B10R2.7 c1cc2c(nc1)ncs2 MB10672 [1,0,0,0,1,0|2,0,0]=4 656 B10R2.7 c1cc2cnccn2c1 CB10529 [1,0,0,0,1,0|2,0,0]=4 657 B10R2.7 c1cc2nccn2nc1 AB42764 [1,0,0,0,1,0|2,0,0]=4 658 B10R2.7 c1ccn2c(c1)ccn2 AB48944 [1,0,0,0,1,0|1,0,0]=3 659 B10R2.7 c1ccn2c(c1)cnn2 MB00828 [1,0,0,0,1,0|2,0,0]=4 660 B10R2.7 c1ccn2c(c1)ncn2 AB15720 [1,0,0,0,1,0|2,0,0]=4 661 B10R2.7 c1ccn2cccc2c1 AB01491 [1,0,0,0,1,0|1,0,0]=3 662 B10R2.7 c1ccn2cncc2c1 AB14043 [1,0,0,0,1,0|2,0,0]=4 663 B10R2.7 c1cn2ccnc2cn1 AB23577 [1,0,0,0,1,0|2,0,0]=4 664 B10R2.7 c1cnc2ccnn2c1 PB20510 [1,0,0,0,1,0|2,0,0]=4 665 B10R2.7 c1cncc2=CCN=c21 PB12213 [1,0,0,0,1,0|1,0,1]=4 666 B10R2.7 c1cncc2=NCC=c21 PB21773 [1,0,0,0,1,0|1,0,1]=4 667 B10R2.7 c1cncc2c1ccs2 MB02036 [1,0,0,0,1,0|2,0,0]=4 668 B10R2.7 c1cncn2c1ncc2 AB55782 [1,0,0,0,1,0|2,0,0]=4