0 B11R1.20 CC(=O)Nc1ccc(cn1)I AB08522 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.20 CC(=O)Nc1ccc(cn1)N AB04216 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.20 CC(=O)Nc1ccc(nc1)Br AB30811 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.20 CC(=O)Nc1cnc(cn1)Br MB14371 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.20 CC(=O)Nc1cnc(nc1)Br MB14362 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.20 CC(=O)Nc1ncc(cn1)Br MB11994 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AB06566 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.20 CC(=O)Oc1cnc(cn1)Br MB14264 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.20 CC(=O)Oc1ncc(cn1)Br MB14266 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.20 CC(C)Oc1ccc(cc1)O MB06553 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.20 CC(C)Oc1ccc(cn1)Br MB04495 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.20 CC(C)Oc1ccc(cn1)N AB40632 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.20 CC(C)Oc1ccc(cn1)O MB23136 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.20 CC(C)Oc1ccc(nc1)Br MB13762 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.20 CC(Cc1ccc(cc1)Br)N MB00407 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.20 CC(Cc1ccc(cc1)Cl)N MB01958 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.20 CN(C)Cc1ccc(cc1)Br AB01531 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.20 CN(C)Cc1ccc(cc1)N AB01571 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.20 C[C@@H](Cc1ccc(cc1)Br)N AB76442 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.20 C[C@@H](Cc1ccc(cc1)F)N AB76433 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.20 C[C@H](Cc1ccc(cc1)Br)N AB76429 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.20 C[C@H](Cc1ccc(cc1)F)N AB76425 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.20 Cc1ccc(cc1)CC(=N)N AB29086 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.20 Cc1ccc(cc1)CC(C)N MB01961 [0,0,0,0,0,0|2,0,1]=3 24 B11R1.20 Cc1ccc(cn1)CC(=O)O AB04515 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.20 Cc1ccc(nc1)CC(=O)O AB55198 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.20 Cc1cnc(cn1)CC(=O)O AB69910 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.20 c1cc(ccc1CC(=N)N)Br AB48908 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.20 c1cc(ccc1CC(=N)N)Cl AB29080 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.20 c1cc(ccc1CC(=N)N)F AB29082 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.20 c1cc(ccc1CC(=O)O)Br AB00367 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.20 c1cc(ccc1N=C(N)N)Cl AB04678 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.20 c1cc(ncc1Br)CC(=O)O PB31471 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.20 c1cc(ncc1CC(=O)O)Br AB71018 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.20 c1cc(ncc1CC(=O)O)Cl AB10318 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.20 c1cc(ncc1CC(=O)O)F AB55206 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.20 c1cc(ncc1F)CC(=O)O AB55200 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.20 c1cc(ncc1I)CC(=O)O PB21451 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.1 CCOc1ccc(cn1)Br AB05210 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.1 CCOc1ccc(cn1)N AB09602 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.1 Cc1ccc(cc1)\C=C\Br AB73509 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.1 Cc1ccc(cn1)CNC AB63786 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.1 Cc1ccc(cn1)N=C=O AB43377 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.1 Cc1ccc(nc1)CNC AB67504 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.1 c1cc(ccc1CC=O)F AB11805 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.1 c1cc(ccc1CC=O)N AB27688 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.1 c1cc(ccc1\C=C\Br)Br AB32162 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.1 c1cc(ccc1\C=C\Br)Cl AB32165 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.1 c1cc(ccc1\C=C\Br)F AB66443 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.18 CC(=O)Cc1ccccn1 AB03323 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.18 CC(=O)Cc1cccnc1 AB29343 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.18 CC(=O)Cc1cccnc1 AB45525 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.18 CC(=O)Cc1ncccn1 MB07248 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.18 CC(=O)Nc1ccncc1 AB06982 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.18 CC(C)Oc1ccccn1 AB63711 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.18 c1cc(cnc1)CC(=O)O AB01106 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [1,0,0,0,0,0|3,0,0]=4 62 B12R1.4 CC(=O)Cc1ccc(cc1)OC AB00957 [0,1,0,0,0,0|1,0,0]=2 63 B12R1.4 CC(C)Oc1ccc(cc1)NN AB27890 [0,1,0,0,0,0|2,0,1]=4 64 B12R1.4 CC(Cc1ccc(cc1)OC)N MB01555 [0,1,0,0,0,0|2,0,1]=4 65 B12R1.4 COc1ccc(cc1)CC(=N)N AB09931 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.4 COc1ccc(cn1)CC(=O)O AB55204 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.4 C[C@@H](Cc1ccc(cc1)OC)N AB70588 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N AB51426 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.4 c1cc(ccc1CC(=O)O)CN AB17066 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.19 CC(=O)Oc1ccc(c(c1)Cl)F MB07187 [0,1,0,0,0,0|1,0,0]=2 71 B12R1.19 CC(C)Oc1ccc(c(c1)Br)O MB23095 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.19 CC(C)Oc1ccc(c(c1)Cl)O MB23097 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.19 CC(C)Oc1ccc(c(c1)F)N AB09448 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.19 CC(C)Oc1ccc(c(c1)F)O MB23076 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.19 CC(C)Oc1ccc(c(c1)I)O MB23080 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.19 CC(C)Oc1ccc(c(c1)N)O MB23087 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.19 CC(C)Oc1ccc(c(c1)O)Br MB23146 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.19 CC(C)Oc1ccc(c(c1)O)Cl MB23153 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.19 CC(C)Oc1ccc(c(c1)O)F MB23035 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.19 CC(C)Oc1ccc(c(c1)O)I MB23037 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.19 CC(C)Oc1ccc(c(c1)O)N MB23047 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.19 Cc1c(ccc(n1)NC(=O)C)Br AB16850 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.19 Cc1cc(ccc1O)OC(C)C MB23056 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.19 Cc1cc(ncc1Br)NC(=O)C AB29808 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.19 Cc1cc(ncc1Cl)NC(=O)C AB41146 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.19 Cc1ccc(cc1Br)NC(=O)C AB07992 [0,1,0,0,0,0|1,0,0]=2 87 B12R1.19 Cc1ccc(cc1O)NC(=S)N AB53227 [0,1,0,0,0,0|2,1,0]=4 88 B12R1.19 Cc1ccc(cc1O)OC(C)C MB23001 [0,1,0,0,0,0|1,0,1]=3 89 B12R1.19 Cc1ccc(nc1C)CC(=O)O AB74109 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.20 Cc1ccc(cc1)C(C(=O)O)N AB06684 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.20 Cc1ccc(cc1)[C@H](C(=O)O)N AB32672 [0,1,0,0,0,0|2,0,0]=3 92 B12R1.20 Cc1ccc(nc1)C(C(=O)O)O AB31481 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.20 c1cc(ccc1C(C(=O)O)N)Br AB02090 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.20 c1cc(ccc1C(C(=O)O)N)Br AB20158 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.20 c1cc(ccc1C(C(=O)O)N)Cl AB02094 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.20 c1cc(ccc1C(C(=O)O)N)F AB02694 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.20 c1cc(ccc1C(C(=O)O)N)F AB24574 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.20 c1cc(ccc1C(C(=O)O)N)O AB02671 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)Cl AB15770 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)F AB04848 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)Br AB32807 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)Cl AB16238 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)F AB01939 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O AB00341 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.49 CC(CN)Oc1ccc(cc1)Br AB38871 [0,1,0,0,0,0|2,0,1]=4 106 B12R1.49 CC(CN)Oc1ccc(cc1)Cl AB38863 [0,1,0,0,0,0|2,0,1]=4 107 B12R1.49 CC(CN)Oc1ccc(cc1)F AB12553 [0,1,0,0,0,0|2,0,1]=4 108 B12R1.49 COC(=N)Cc1ccc(cc1)Br AB60928 [0,1,0,0,0,0|3,0,0]=4 109 B12R1.49 COC(=N)Cc1ccc(cc1)Cl AB60925 [0,1,0,0,0,0|3,0,0]=4 110 B12R1.49 COC(=N)Cc1ccc(cc1)F AB60924 [0,1,0,0,0,0|3,0,0]=4 111 B12R1.49 COC(=O)Cc1ccc(cc1)Br PB24610 [0,1,0,0,0,0|2,0,0]=3 112 B12R1.49 COC(=O)Nc1ccc(cn1)Br MB01437 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.49 COC(=O)Nc1ccc(nc1)Br MB14348 [0,1,0,0,0,0|3,0,0]=4 114 B12R1.49 Cc1ccc(cc1)CC(=N)OC AB60933 [0,1,0,0,0,0|2,0,0]=3 115 B12R1.49 Cc1ccc(cc1)OC(C)CN AB16399 [0,1,0,0,0,0|1,0,1]=3 116 B12R1.49 Cc1ccc(cn1)OC(C)CN AB38918 [0,1,0,0,0,0|2,0,1]=4 117 B12R1.106 CS(=O)(=O)Nc1ccc(cc1)Br AB01521 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.106 CS(=O)(=O)Nc1ccc(cc1)O MB01417 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.106 Cc1ccc(cc1)CC(C)(C)N AB54574 [0,1,0,0,0,0|2,0,1]=4 120 B12R1.233 CC(C)Oc1ccc(cc1Br)O MB23132 [0,1,0,0,0,0|2,0,1]=4 121 B12R1.233 CC(C)Oc1ccc(cc1Cl)O MB13560 [0,1,0,0,0,0|2,0,1]=4 122 B12R1.233 CC(C)Oc1ccc(cc1F)O MB23119 [0,1,0,0,0,0|2,0,1]=4 123 B12R1.233 CC(C)Oc1ccc(cc1I)O MB23120 [0,1,0,0,0,0|2,0,1]=4 124 B12R1.233 CC(C)Oc1ccc(cc1N)O MB23121 [0,1,0,0,0,0|2,0,1]=4 125 B12R1.233 CC(C)Oc1ccc(cc1O)Br MB23150 [0,1,0,0,0,0|2,0,1]=4 126 B12R1.233 CC(C)Oc1ccc(cc1O)Cl MB13550 [0,1,0,0,0,0|2,0,1]=4 127 B12R1.233 CC(C)Oc1ccc(cc1O)F MB14580 [0,1,0,0,0,0|2,0,1]=4 128 B12R1.233 CC(C)Oc1ccc(cc1O)I MB23040 [0,1,0,0,0,0|2,0,1]=4 129 B12R1.233 CC(C)Oc1ccc(cc1O)N MB23049 [0,1,0,0,0,0|2,0,1]=4 130 B12R1.233 Cc1cc(ccc1OC(C)C)O MB13553 [0,1,0,0,0,0|2,0,1]=4 131 B12R1.233 Cc1cc(cnc1NC(=O)C)N AB64450 [0,1,0,0,0,0|3,0,0]=4 132 B12R1.233 Cc1ccc(c(c1)O)OC(C)C MB13554 [0,1,0,0,0,0|1,0,1]=3 133 B12R2.79 Cc1ccc(cc1)[C@@H]2C[C@H]2N MB69375 [0,0,0,1,0,0|2,0,1]=4 134 B12R2.294 Cc1ccc(cc1)OC2CC2 MB35889 [0,0,0,1,0,0|1,0,1]=3 135 B12R2.294 Cc1ccc(cn1)OC2CC2 MB34620 [0,0,0,1,0,0|2,0,1]=4 136 B12R2.294 c1cc(ccc1N)OC2CC2 MB11809 [0,0,0,1,0,0|2,0,1]=4 137 B12R2.294 c1cc(ccc1O)OC2CC2 MB20165 [0,0,0,1,0,0|2,0,1]=4 138 B12R2.294 c1cc(ccc1OC2CC2)Br MB06312 [0,0,0,1,0,0|2,0,1]=4 139 B12R2.294 c1cc(ccc1OC2CC2)Cl MB49590 [0,0,0,1,0,0|2,0,1]=4 140 B12R2.294 c1cc(ccc1OC2CC2)F MB37870 [0,0,0,1,0,0|2,0,1]=4 141 B12R2.294 c1cc(ccc1OC2CC2)I MB25540 [0,0,0,1,0,0|2,0,1]=4 142 B12R2.606 CC1=CC2C(=NC(=N2)C)C=C1 AB03517 [0,0,0,1,0,0|2,0,1]=4 143 B12R2.606 Cc1cc2cc(ccc2o1)I AB08838 [0,0,0,1,0,0|2,0,0]=3 144 B12R2.606 Cc1ccc2=NC(=O)N=c2c1 AB07026 [0,0,0,1,0,0|2,0,0]=3 145 B12R2.606 Cc1ccc2c(c1)nc(o2)Cl AB43172 [0,0,0,1,0,0|2,0,0]=3 146 B12R2.606 Cc1ccc2c(c1)nc(o2)N AB09696 [0,0,0,1,0,0|2,0,0]=3 147 B12R2.606 Cc1ccc2c(c1)nc(o2)S AB45304 [0,0,0,1,0,0|1,1,0]=3 148 B12R2.606 Cc1ccc2c(c1)nc(s2)S AB62960 [0,0,0,1,0,0|1,2,0]=4 149 B12R2.606 Cc1ccc2c(c1)oc(n2)Cl AB65043 [0,0,0,1,0,0|2,0,1]=4 150 B12R2.606 Cc1ccc2c(c1)oc(n2)S AB03206 [0,0,0,1,0,0|2,0,1]=4 151 B12R2.606 Cc1ccc2c(c1)sc(n2)S AB42352 [0,0,0,1,0,0|2,1,0]=4 152 B12R2.606 Cc1ccc2c(n1)CC(=O)N2 AB66460 [0,0,0,1,0,0|2,0,0]=3 153 B12R2.606 Cc1ccc2c(n1)NC(=O)C2 AB73881 [0,0,0,1,0,0|3,0,0]=4 154 B12R2.606 Cc1nc2c(o1)ccc(n2)Br AB63468 [0,0,0,1,0,0|3,0,0]=4 155 B12R2.606 Cc1nc2cc(cnc2o1)Br AB40955 [0,0,0,1,0,0|3,0,0]=4 156 B12R2.606 Cc1nc2cc(cnc2o1)Cl AB41020 [0,0,0,1,0,0|3,0,0]=4 157 B12R2.606 Cc1nc2ccc(cc2o1)Br AB25987 [0,0,0,1,0,0|2,0,1]=4 158 B12R2.606 Cc1nc2ccc(cc2o1)Cl AB49156 [0,0,0,1,0,0|2,0,1]=4 159 B12R2.606 c1c(cnc2c1CC(=O)N2)Br PB18779 [0,0,0,1,0,0|3,0,0]=4 160 B12R2.606 c1c(cnc2c1CC(=O)N2)Cl PB30032 [0,0,0,1,0,0|3,0,0]=4 161 B12R2.606 c1c(cnc2c1CC(=O)N2)F PB30039 [0,0,0,1,0,0|3,0,0]=4 162 B12R2.606 c1c2c(cnc1Br)NC(=O)C2 PB28320 [0,0,0,1,0,0|3,0,0]=4 163 B12R2.606 c1c2c(cnc1Cl)NC(=O)C2 PB31570 [0,0,0,1,0,0|3,0,0]=4 164 B12R2.606 c1cc(nc2c1NC(=O)C2)Br PB10498 [0,0,0,1,0,0|3,0,0]=4 165 B12R2.606 c1cc(nc2c1NC(=O)C2)Cl PB22129 [0,0,0,1,0,0|3,0,0]=4 166 B12R2.606 c1cc2=NC(=O)N=c2cc1Br AB10496 [0,0,0,1,0,0|3,0,0]=4 167 B12R2.606 c1cc2=NC(=O)N=c2cc1F AB21861 [0,0,0,1,0,0|3,0,0]=4 168 B12R2.606 c1cc2=NC(=O)N=c2cc1I AB21858 [0,0,0,1,0,0|3,0,0]=4 169 B12R2.606 c1cc2c(cc1Br)CC(=O)C2 AB42440 [0,0,0,1,0,0|2,0,0]=3 170 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 PB32208 [0,0,0,1,0,0|2,0,0]=3 171 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 PB24760 [0,0,0,1,0,0|3,0,0]=4 172 B12R2.606 c1cc2c(cc1Br)nc(o2)Cl AB63671 [0,0,0,1,0,0|3,0,0]=4 173 B12R2.606 c1cc2c(cc1Br)nc(o2)N AB09697 [0,0,0,1,0,0|3,0,0]=4 174 B12R2.606 c1cc2c(cc1Cl)CC(=O)N2 AB04636 [0,0,0,1,0,0|2,0,0]=3 175 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 AB04797 [0,0,0,1,0,0|3,0,0]=4 176 B12R2.606 c1cc2c(cc1Cl)nc(o2)Cl PB26446 [0,0,0,1,0,0|3,0,0]=4 177 B12R2.606 c1cc2c(cc1Cl)nc(o2)S AB04398 [0,0,0,1,0,0|2,1,0]=4 178 B12R2.606 c1cc2c(cc1F)CC(=O)N2 AB11374 [0,0,0,1,0,0|2,0,0]=3 179 B12R2.606 c1cc2c(cc1F)NC(=O)C2 AB02036 [0,0,0,1,0,0|3,0,0]=4 180 B12R2.606 c1cc2c(cc1F)nc(o2)Cl AB65045 [0,0,0,1,0,0|3,0,0]=4 181 B12R2.606 c1cc2c(cc1F)nc(o2)N AB09694 [0,0,0,1,0,0|3,0,0]=4 182 B12R2.606 c1cc2c(cc1I)CC(=O)N2 MB06441 [0,0,0,1,0,0|2,0,0]=3 183 B12R2.606 c1cc2c(cc1N)CC(=O)N2 PB27577 [0,0,0,1,0,0|2,0,0]=3 184 B12R2.606 c1cc2c(cc1N)NC(=O)C2 PB17556 [0,0,0,1,0,0|3,0,0]=4 185 B12R2.606 c1cc2c(cc1O)NC(=O)C2 AB21813 [0,0,0,1,0,0|3,0,0]=4 186 B10R1.13 B(c1ccc(cc1)C)(O)O AB01767 [0,0,0,0,1,0|2,0,1]=4 187 B10R1.13 CC(=C)c1ccc(cc1)O CB10241 [0,0,0,0,1,0|2,0,0]=3 188 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [0,0,0,0,1,0|2,0,0]=3 189 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [0,0,0,0,1,0|2,0,0]=3 190 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [0,0,0,0,1,0|2,0,0]=3 191 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [0,0,0,0,1,0|2,0,0]=3 192 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [0,0,0,0,1,0|2,0,0]=3 193 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [0,0,0,0,1,0|2,0,0]=3 194 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [0,0,0,0,1,0|2,0,0]=3 195 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [0,0,0,0,1,0|2,0,0]=3 196 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [0,0,0,0,1,0|2,0,0]=3 197 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [0,0,0,0,1,0|2,0,0]=3 198 B10R1.13 CC(=O)c1ccc(nn1)Cl PB20488 [0,0,0,0,1,0|3,0,0]=4 199 B10R1.13 CC(=O)c1cnc(cn1)Cl AB65450 [0,0,0,0,1,0|3,0,0]=4 200 B10R1.13 CC(=O)c1cnc(nc1)Cl AB59098 [0,0,0,0,1,0|3,0,0]=4 201 B10R1.13 CC(=O)c1ncc(cn1)Br PB34979 [0,0,0,0,1,0|3,0,0]=4 202 B10R1.13 CC(=O)c1ncc(cn1)F PB24344 [0,0,0,0,1,0|3,0,0]=4 203 B10R1.13 CN(C)c1ccc(cc1)O CB10546 [0,0,0,0,1,0|3,0,0]=4 204 B10R1.13 CN(C)c1ccc(cc1)O MB02001 [0,0,0,0,1,0|3,0,0]=4 205 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [0,0,0,0,1,0|2,0,0]=3 206 B10R1.13 Cc1ccc(cc1)C(=S)N AB04365 [0,0,0,0,1,0|1,1,0]=3 207 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [0,0,0,0,1,0|1,0,0]=2 208 B10R1.13 Cc1ccc(cn1)C(=O)Cl AB44670 [0,0,0,0,1,0|2,0,0]=3 209 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [0,0,0,0,1,0|2,0,0]=3 210 B10R1.13 Cc1ccc(cn1)C(C)N AB53828 [0,0,0,0,1,0|2,0,1]=4 211 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] PB18660 [0,0,0,0,1,0|3,0,0]=4 212 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [0,0,0,0,1,0|1,0,0]=2 213 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [0,0,0,0,1,0|2,0,0]=3 214 B10R1.13 Cc1ccc(nn1)C(=O)C AB75459 [0,0,0,0,1,0|2,0,0]=3 215 B10R1.13 Cc1ccc(nn1)C(=O)O AB52759 [0,0,0,0,1,0|3,0,0]=4 216 B10R1.13 Cc1cnc(cn1)C(=O)C AB02269 [0,0,0,0,1,0|2,0,0]=3 217 B10R1.13 Cc1cnc(cn1)C(=O)N CB10282 [0,0,0,0,1,0|3,0,0]=4 218 B10R1.13 Cc1cnc(cn1)C(=O)O PB12995 [0,0,0,0,1,0|3,0,0]=4 219 B10R1.13 Cc1cnc(nc1)C(=O)O PB29748 [0,0,0,0,1,0|3,0,0]=4 220 B10R1.13 Cc1ncc(cn1)C(=O)O PB27884 [0,0,0,0,1,0|3,0,0]=4 221 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [0,0,0,0,1,0|3,0,0]=4 222 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [0,0,0,0,1,0|3,0,0]=4 223 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [0,0,0,0,1,0|3,0,0]=4 224 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [0,0,0,0,1,0|3,0,0]=4 225 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [0,0,0,0,1,0|3,0,0]=4 226 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [0,0,0,0,1,0|3,0,0]=4 227 B10R1.13 c1cc(ccc1C(=S)N)Br AB18142 [0,0,0,0,1,0|2,1,0]=4 228 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [0,0,0,0,1,0|2,1,0]=4 229 B10R1.13 c1cc(ccc1C(=S)N)F AB08498 [0,0,0,0,1,0|2,1,0]=4 230 B10R1.13 c1cc(ccc1C(=S)N)N AB01833 [0,0,0,0,1,0|2,1,0]=4 231 B10R1.13 c1cc(ccc1C(=S)N)O AB21285 [0,0,0,0,1,0|2,1,0]=4 232 B10R1.13 c1cc(ncc1Br)C(=O)O PB32197 [0,0,0,0,1,0|3,0,0]=4 233 B10R1.13 c1cc(ncc1Br)C(=O)[O-] AB42654 [0,0,0,0,1,0|3,0,0]=4 234 B10R1.13 c1cc(ncc1C(=O)Cl)F AB42627 [0,0,0,0,1,0|3,0,0]=4 235 B10R1.13 c1cc(ncc1C(=O)N)Br MB01098 [0,0,0,0,1,0|3,0,0]=4 236 B10R1.13 c1cc(ncc1C(=O)O)Br PB18554 [0,0,0,0,1,0|3,0,0]=4 237 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [0,0,0,0,1,0|3,0,0]=4 238 B10R1.13 c1cc(ncc1C(=O)O)F AB09999 [0,0,0,0,1,0|3,0,0]=4 239 B10R1.13 c1cc(ncc1C(=O)O)N AB17940 [0,0,0,0,1,0|3,0,0]=4 240 B10R1.13 c1cc(ncc1C(=O)O)N PB21621 [0,0,0,0,1,0|3,0,0]=4 241 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [0,0,0,0,1,0|3,0,0]=4 242 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [0,0,0,0,1,0|3,0,0]=4 243 B10R1.13 c1cc(ncc1F)C(=O)O AB17969 [0,0,0,0,1,0|3,0,0]=4 244 B10R1.13 c1cc(ncc1N)C(=O)O AB12645 [0,0,0,0,1,0|3,0,0]=4 245 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [0,0,0,0,1,0|3,0,0]=4 246 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [0,0,0,0,1,0|3,0,0]=4 247 B10R1.54 Cc1ncc(o1)CC(=O)C AB44093 [0,0,0,0,1,0|3,0,0]=4 248 B12R1.21 CC(=O)COc1ccc(cc1)Br AB26100 [0,0,0,0,0,1|1,0,0]=2 249 B12R1.21 CC(=O)COc1ccc(cc1)Cl AB26096 [0,0,0,0,0,1|1,0,0]=2 250 B12R1.21 CC(=O)COc1ccc(cc1)F AB26104 [0,0,0,0,0,1|1,0,0]=2 251 B12R1.21 CC(=O)COc1ccc(cc1)I AB26107 [0,0,0,0,0,1|1,0,0]=2 252 B12R1.21 Cc1ccc(cc1)CCC(=O)O AB01198 [0,0,0,0,0,1|2,0,0]=3 253 B12R1.21 Cc1ccc(cc1)OCC(=O)C AB26110 [0,0,0,0,0,1|0,0,0]=1 254 B12R1.21 c1cc(ccc1CCC(=O)O)Br AB08447 [0,0,0,0,0,1|3,0,0]=4 255 B12R1.21 c1cc(ccc1CCC(=O)O)Cl AB01196 [0,0,0,0,0,1|3,0,0]=4 256 B12R1.21 c1cc(ccc1CCC(=O)O)F AB02388 [0,0,0,0,0,1|3,0,0]=4 257 B12R1.21 c1cc(ccc1CCC(=O)O)N AB01235 [0,0,0,0,0,1|3,0,0]=4 258 B12R1.21 c1cc(ccc1CCC(=O)O)O AB00269 [0,0,0,0,0,1|3,0,0]=4 259 B12R1.21 c1cc(ccc1OCC(=N)N)F AB08309 [0,0,0,0,0,1|3,0,0]=4 260 B12R1.21 c1cc(ccc1OCC(=O)O)Cl AB00355 [0,0,0,0,0,1|2,0,0]=3 261 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br AB00374 [0,0,0,0,0,1|3,0,0]=4 262 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl AB00377 [0,0,0,0,0,1|3,0,0]=4 263 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F AB00375 [0,0,0,0,0,1|3,0,0]=4 264 B9R1.1 COc1cc[n+](cc1)[O-] AB00619 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.1 COc1ccc(cn1)Br AB08771 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.1 COc1ccc(cn1)Cl AB23682 [2,0,0,0,0,0|2,0,0]=4 267 B9R1.1 COc1ccc(cn1)F AB13611 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.1 COc1ccc(cn1)N PB27370 [2,0,0,0,0,0|2,0,0]=4 269 B9R1.1 COc1ccc(cn1)O CB10969 [2,0,0,0,0,0|2,0,0]=4 270 B9R1.1 COc1ccc(nc1)Br PB22062 [2,0,0,0,0,0|2,0,0]=4 271 B9R1.1 COc1ccc(nc1)Cl AB25956 [2,0,0,0,0,0|2,0,0]=4 272 B9R1.1 COc1ccc(nc1)F AB66773 [2,0,0,0,0,0|2,0,0]=4 273 B9R1.1 COc1ccc(nc1)I AB11726 [2,0,0,0,0,0|2,0,0]=4 274 B9R1.1 COc1ccc(nc1)N PB14487 [2,0,0,0,0,0|2,0,0]=4 275 B9R1.1 Cc1ccc(cn1)C=C PB17233 [2,0,0,0,0,0|1,0,1]=4 276 B9R1.1 Cc1ccc(cn1)C=O PB17503 [2,0,0,0,0,0|1,0,0]=3 277 B9R1.1 Cc1ccc(cn1)OC AB52739 [2,0,0,0,0,0|1,0,0]=3 278 B9R1.1 Cc1ccc(nc1)C=O AB31466 [2,0,0,0,0,0|1,0,0]=3 279 B9R1.1 Cc1ccc(nn1)C=O AB44106 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.1 Cc1ccc(nn1)OC AB51434 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.1 Cc1cnc(cn1)C=O PB23818 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.1 Cc1cnc(nc1)C=O PB31489 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.1 Cc1ncc(cn1)C=O PB13046 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.1 c1cc(ncc1Br)C=O PB30785 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.1 c1cc(ncc1C=O)Br PB27654 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.1 c1cc(ncc1C=O)Cl PB18586 [2,0,0,0,0,0|2,0,0]=4 287 B9R1.1 c1cc(ncc1C=O)F PB23560 [2,0,0,0,0,0|2,0,0]=4 288 B9R1.1 c1cc(ncc1C=O)N PB19003 [2,0,0,0,0,0|2,0,0]=4 289 B9R1.1 c1cc(ncc1Cl)C=O AB44880 [2,0,0,0,0,0|2,0,0]=4 290 B9R1.1 c1cc(ncc1F)C=O AB42648 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.1 c1cc(ncc1N)C=O AB67740 [2,0,0,0,0,0|2,0,0]=4 292 B9R1.1 c1cc(ncc1O)C=O AB59867 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.8 c1ccnc(c1)CC=O AB61426 [2,0,0,0,0,0|2,0,0]=4 295 B11R1.1 Cc1ccc(cc1)CCC=O AB17667 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.1 Cc1ccc(cc1)CCCN AB38682 [1,1,0,0,0,0|1,0,1]=4 297 B11R1.1 Cc1ccc(cc1)CCNC AB27715 [1,1,0,0,0,0|1,0,1]=4 298 B11R1.1 c1cc(ccc1CCC=O)Br AB42279 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.1 c1cc(ccc1CCC=O)Cl AB42276 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.1 c1cc(ccc1CCC=O)F AB43536 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.1 c1cc(ccc1CCC=O)O AB49241 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.1 c1cc(ccc1OCCCl)Cl AB13874 [1,1,0,0,0,0|1,0,1]=4 303 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05249 [1,1,0,0,0,0|1,0,0]=3 304 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05288 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB07939 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB49987 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.22 c1cc(ccc1C(=O)C=O)Cl AB44429 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.22 c1cc(ccc1C(=O)C=O)F AB09010 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.22 c1cc(ccc1C(=O)C=O)O AB02263 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.83 CCOc1ccc(cn1)CCl AB59947 [1,1,0,0,0,0|1,0,1]=4 311 B11R1.83 COc1ccc(cc1)CC=O AB11810 [1,1,0,0,0,0|1,0,0]=3 312 B11R1.83 COc1ccc(cc1)\C=C\Br AB06149 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.192 CCOc1ccc(c(c1)F)N AB09444 [1,1,0,0,0,0|1,0,1]=4 314 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N AB02597 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N AB00920 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.40 CC(CN)Oc1ccccc1 AB03575 [1,1,0,0,0,0|1,0,1]=4 317 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.40 COC(=O)Cc1ccccn1 PB18397 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.40 COC(=O)Cc1cccnc1 PB30559 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.40 COC(=O)Cc1ccncc1 PB12720 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [1,1,0,0,0,0|1,0,1]=4 322 B11R1.86 CC(=O)Nc1ccccc1O AB00212 [1,1,0,0,0,0|1,0,0]=3 323 B11R1.86 CC(=O)Nc1cccnc1Br MB03384 [1,1,0,0,0,0|2,0,0]=4 324 B11R1.86 CC(=O)Nc1cnccc1N MB08841 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F AB16515 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.86 c1ccc(c(c1)CC(=O)N)N AB26281 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.86 c1ccc(c(c1)CC(=O)O)N AB15776 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.86 c1ccc(c(c1)NC(=O)N)Br CB10141 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.157 CC(=O)Nc1cc(cnc1)Br MB13418 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.157 CC(=O)Nc1cccc(c1)O AB00216 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.157 CC(=O)Nc1cccc(n1)Br MB01012 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.157 CC(=O)Nc1ccnc(c1)Br MB14356 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.157 CC(=O)Oc1cc(ncn1)Br MB14313 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.157 CC(=O)Oc1cncc(n1)Br MB14303 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.157 CC(=O)Oc1nccc(n1)Br MB14223 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.157 CC(C)Oc1cccc(c1)O MB09279 [1,1,0,0,0,0|1,0,1]=4 337 B11R1.157 Cc1cc(ccn1)NC(=O)C AB53272 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.157 Cc1cccc(c1)NC(=O)C AB01179 [1,1,0,0,0,0|1,0,0]=3 339 B11R1.157 Cc1ccnc(c1)NC(=O)C AB05238 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.157 c1cc(cc(c1)Br)CC(=O)N AB42612 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.157 c1cc(cc(c1)Br)CC(=O)O AB00359 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O AB00363 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.157 c1cc(cc(c1)F)CC(=O)O AB00361 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.3 B(=O)c1ccc(cc1)C(=O)Cl AB30049 [0,1,0,0,1,0|2,0,0]=4 345 B11R1.3 CC(=O)c1ccc(cc1)C#C AB21444 [0,1,0,0,1,0|0,0,1]=3 346 B11R1.3 CC(=O)c1ccc(cn1)C#N AB67713 [0,1,0,0,1,0|1,0,1]=4 347 B11R1.3 CC(=O)c1ccc(cn1)OC PB14835 [0,1,0,0,1,0|1,0,0]=3 348 B11R1.3 CC(=O)c1ccc(nc1)C#N AB25372 [0,1,0,0,1,0|1,0,1]=4 349 B11R1.3 CC(=O)c1ccc(nc1)OC AB22367 [0,1,0,0,1,0|1,0,0]=3 350 B11R1.3 CC(=O)c1ccc(nn1)OC AB70140 [0,1,0,0,1,0|2,0,0]=4 351 B11R1.3 CC(=O)c1cnc(cn1)OC AB69890 [0,1,0,0,1,0|2,0,0]=4 352 B11R1.3 CCc1ccc(cc1)C(=S)N AB23762 [0,1,0,0,1,0|1,1,0]=4 353 B11R1.3 CN(C)c1ccc(cc1)CO AB16431 [0,1,0,0,1,0|2,0,0]=4 354 B11R1.3 COc1ccc(cc1)C(=N)N AB06258 [0,1,0,0,1,0|2,0,0]=4 355 B11R1.3 COc1ccc(cc1)C(=O)N AB00908 [0,1,0,0,1,0|1,0,0]=3 356 B11R1.3 COc1ccc(cc1)C(=S)N AB01847 [0,1,0,0,1,0|1,1,0]=4 357 B11R1.3 COc1ccc(cn1)C(=O)O PB30805 [0,1,0,0,1,0|2,0,0]=4 358 B11R1.3 COc1ccc(nc1)C(=O)O PB17398 [0,1,0,0,1,0|2,0,0]=4 359 B11R1.3 c1cc(ncc1C(=O)O)CN AB23462 [0,1,0,0,1,0|2,0,0]=4 360 B11R1.19 CS(=O)(=O)c1ccc(cc1)Br AB01453 [0,1,0,0,1,0|2,0,0]=4 361 B11R1.19 CS(=O)(=O)c1ccc(cc1)I AB07768 [0,1,0,0,1,0|2,0,0]=4 362 B11R1.19 CS(=O)(=O)c1ccc(cc1)N AB01467 [0,1,0,0,1,0|2,0,0]=4 363 B11R1.19 CS(=O)(=O)c1ccc(cc1)O AB02067 [0,1,0,0,1,0|2,0,0]=4 364 B11R1.19 Cc1ccc(cc1)C(C)(C)N AB45930 [0,1,0,0,1,0|1,0,1]=4 365 B11R1.21 CC(=O)c1cc(c(cn1)Cl)Cl AB73180 [0,1,0,0,1,0|2,0,0]=4 366 B11R1.21 CC(=O)c1cc(c(cn1)Cl)F AB82986 [0,1,0,0,1,0|2,0,0]=4 367 B11R1.21 CC(=O)c1cc(c(cn1)Cl)N AB83914 [0,1,0,0,1,0|2,0,0]=4 368 B11R1.21 CC(=O)c1cc(c(cn1)Cl)O AB75003 [0,1,0,0,1,0|2,0,0]=4 369 B11R1.21 CC(=O)c1cc(c(cn1)F)Cl AB83156 [0,1,0,0,1,0|2,0,0]=4 370 B11R1.21 CC(=O)c1cc(c(cn1)N)Cl AB83892 [0,1,0,0,1,0|2,0,0]=4 371 B11R1.21 CC(=O)c1cc(c(cn1)O)Cl AB75001 [0,1,0,0,1,0|2,0,0]=4 372 B11R1.21 CC(=O)c1cc(c(nc1)Cl)Cl AB60291 [0,1,0,0,1,0|2,0,0]=4 373 B11R1.21 CC(=O)c1cc(c(nc1)Cl)F AB74574 [0,1,0,0,1,0|2,0,0]=4 374 B11R1.21 CC(=O)c1cc(c(nc1)Cl)N AB83970 [0,1,0,0,1,0|2,0,0]=4 375 B11R1.21 CC(=O)c1cc(c(nc1)Cl)O AB74793 [0,1,0,0,1,0|2,0,0]=4 376 B11R1.21 CC(=O)c1cc(c(nc1)F)Cl AB75049 [0,1,0,0,1,0|2,0,0]=4 377 B11R1.21 CC(=O)c1cc(c(nc1)N)Cl AB74572 [0,1,0,0,1,0|2,0,0]=4 378 B11R1.21 CC(=O)c1cc(c(nc1)N)N AB60288 [0,1,0,0,1,0|2,0,0]=4 379 B11R1.21 CC(=O)c1cc(c(nc1)O)Cl AB84068 [0,1,0,0,1,0|2,0,0]=4 380 B11R1.21 CC(=O)c1ccc(c(n1)Cl)F AB75031 [0,1,0,0,1,0|2,0,0]=4 381 B11R1.21 CC(=O)c1ccc(c(n1)Cl)N AB51559 [0,1,0,0,1,0|2,0,0]=4 382 B11R1.21 CC(=O)c1ccc(c(n1)Cl)O AB74855 [0,1,0,0,1,0|2,0,0]=4 383 B11R1.21 CC(=O)c1ccc(c(n1)F)Cl AB72855 [0,1,0,0,1,0|2,0,0]=4 384 B11R1.21 CC(=O)c1ccc(c(n1)N)Cl AB83957 [0,1,0,0,1,0|2,0,0]=4 385 B11R1.21 CC(=O)c1ccc(c(n1)O)Cl AB84085 [0,1,0,0,1,0|2,0,0]=4 386 B11R1.21 Cc1c(cc(cn1)C(=O)C)Cl AB74646 [0,1,0,0,1,0|1,0,0]=3 387 B11R1.21 Cc1c(cc(cn1)C(=O)C)F AB83026 [0,1,0,0,1,0|1,0,0]=3 388 B11R1.21 Cc1c(cc(cn1)C(=O)O)Br AB74944 [0,1,0,0,1,0|2,0,0]=4 389 B11R1.21 Cc1c(cc(cn1)C(=O)O)Cl AB74644 [0,1,0,0,1,0|2,0,0]=4 390 B11R1.21 Cc1c(cc(cn1)C(=O)O)F AB71562 [0,1,0,0,1,0|2,0,0]=4 391 B11R1.21 Cc1c(cc(cn1)C(=O)O)N PB30351 [0,1,0,0,1,0|2,0,0]=4 392 B11R1.21 Cc1c(cc(cn1)C(=O)O)O AB74651 [0,1,0,0,1,0|2,0,0]=4 393 B11R1.21 Cc1c(ccc(n1)C(=O)C)Cl AB83319 [0,1,0,0,1,0|2,0,0]=4 394 B11R1.21 Cc1c(ccc(n1)C(=O)C)F AB75156 [0,1,0,0,1,0|2,0,0]=4 395 B11R1.21 Cc1c(nc(cn1)C(=O)C)C AB21776 [0,1,0,0,1,0|2,0,0]=4 396 B11R1.21 Cc1cc(ccc1O)C(=O)N MB23357 [0,1,0,0,1,0|2,0,0]=4 397 B11R1.21 Cc1cc(cnc1C)C(=O)C AB75410 [0,1,0,0,1,0|1,0,0]=3 398 B11R1.21 Cc1cc(cnc1C)C(=O)O AB66691 [0,1,0,0,1,0|2,0,0]=4 399 B11R1.21 Cc1cc(cnc1Cl)C(=O)C AB75129 [0,1,0,0,1,0|2,0,0]=4 400 B11R1.21 Cc1cc(cnc1F)C(=O)C AB75174 [0,1,0,0,1,0|2,0,0]=4 401 B11R1.21 Cc1cc(ncc1C)C(=O)C AB74626 [0,1,0,0,1,0|1,0,0]=3 402 B11R1.21 Cc1cc(ncc1C)C(=O)O AB64943 [0,1,0,0,1,0|2,0,0]=4 403 B11R1.21 Cc1cc(ncc1Cl)C(=O)C AB75107 [0,1,0,0,1,0|2,0,0]=4 404 B11R1.21 Cc1ccc(cc1C)C(=N)N AB21798 [0,1,0,0,1,0|2,0,0]=4 405 B11R1.21 Cc1ccc(cc1C)C(=S)N AB26899 [0,1,0,0,1,0|1,1,0]=4 406 B11R1.21 Cc1ccc(cc1O)C(=O)N AB63532 [0,1,0,0,1,0|1,0,0]=3 407 B11R1.21 Cc1ccc(cc1O)C(C)C MB00118 [0,1,0,0,1,0|1,0,1]=4 408 B11R1.21 Cc1ccc(cc1O)N(C)C MB23415 [0,1,0,0,1,0|2,0,0]=4 409 B11R1.21 Cc1ccc(cc1O)[N+](=O)[O-] AB01960 [0,1,0,0,1,0|2,0,0]=4 410 B11R1.21 Cc1ccc(nc1C)C(=O)C AB74623 [0,1,0,0,1,0|1,0,0]=3 411 B11R1.21 Cc1ccc(nc1C)C(=O)O AB62927 [0,1,0,0,1,0|2,0,0]=4 412 B11R1.21 Cc1ccc(nc1Cl)C(=O)C AB75095 [0,1,0,0,1,0|1,0,0]=3 413 B11R1.21 Cc1ccc(nc1Cl)C(=O)O AB66617 [0,1,0,0,1,0|2,0,0]=4 414 B11R1.21 Cc1ccc(nc1F)C(=O)C AB75167 [0,1,0,0,1,0|1,0,0]=3 415 B11R1.21 Cc1ccc(nc1F)C(=O)O AB72844 [0,1,0,0,1,0|2,0,0]=4 416 B11R1.21 Cc1cnc(cc1Br)C(=O)O AB70164 [0,1,0,0,1,0|2,0,0]=4 417 B11R1.21 Cc1cnc(cc1Cl)C(=O)C AB83277 [0,1,0,0,1,0|1,0,0]=3 418 B11R1.21 Cc1cnc(cc1Cl)C(=O)O AB65446 [0,1,0,0,1,0|2,0,0]=4 419 B11R1.21 Cc1cnc(cc1F)C(=O)C AB82953 [0,1,0,0,1,0|1,0,0]=3 420 B11R1.21 Cc1cnc(cc1F)C(=O)O AB74895 [0,1,0,0,1,0|2,0,0]=4 421 B11R1.21 Cn1ccc(cc1=O)C(=O)O PB32349 [0,1,0,0,1,0|2,0,0]=4 422 B11R1.21 c1cc(c(cc1C(=O)N)Br)O MB31615 [0,1,0,0,1,0|2,0,0]=4 423 B11R1.21 c1cc(c(cc1C(=O)N)Cl)O MB09407 [0,1,0,0,1,0|2,0,0]=4 424 B11R1.21 c1cc(c(cc1C(=O)N)F)O MB30803 [0,1,0,0,1,0|2,0,0]=4 425 B11R1.21 c1cc(c(cc1C(=O)N)I)O MB25459 [0,1,0,0,1,0|2,0,0]=4 426 B11R1.21 c1cc(c(cc1C(=O)N)N)F AB51096 [0,1,0,0,1,0|2,0,0]=4 427 B11R1.21 c1cc(c(cc1C(=O)N)N)O MB11674 [0,1,0,0,1,0|2,0,0]=4 428 B11R1.21 c1cc(c(cc1C(=O)N)O)Br MB25480 [0,1,0,0,1,0|2,0,0]=4 429 B11R1.21 c1cc(c(cc1C(=O)N)O)Cl MB27786 [0,1,0,0,1,0|2,0,0]=4 430 B11R1.21 c1cc(c(cc1C(=O)N)O)F MB26081 [0,1,0,0,1,0|2,0,0]=4 431 B11R1.21 c1cc(c(cc1C(=O)N)O)I MB09166 [0,1,0,0,1,0|2,0,0]=4 432 B11R1.21 c1cc(c(cc1C(=O)N)O)N MB25500 [0,1,0,0,1,0|2,0,0]=4 433 B11R1.21 c1cc(c(cc1C(=O)O)Br)F AB01920 [0,1,0,0,1,0|2,0,0]=4 434 B11R1.21 c1cc(c(cc1C(=O)O)F)Br AB06858 [0,1,0,0,1,0|2,0,0]=4 435 B11R1.21 c1cc(c(cc1C(=O)O)F)O AB03853 [0,1,0,0,1,0|2,0,0]=4 436 B11R1.21 c1cc(c(cc1C(=O)O)N)F AB25439 [0,1,0,0,1,0|2,0,0]=4 437 B11R1.21 c1cc(c(cc1C(=O)O)O)Cl AB04116 [0,1,0,0,1,0|2,0,0]=4 438 B11R1.21 c1cc(c(cc1C(=O)O)O)F AB05533 [0,1,0,0,1,0|2,0,0]=4 439 B11R1.21 c1cc(c(cc1C(=O)O)O)I AB10648 [0,1,0,0,1,0|2,0,0]=4 440 B11R1.166 CC(=O)c1c(cc(cn1)Br)Br AB43404 [0,1,0,0,1,0|2,0,0]=4 441 B11R1.166 CC(=O)c1c(cc(cn1)Br)N AB77139 [0,1,0,0,1,0|2,0,0]=4 442 B11R1.166 CC(=O)c1c(cc(cn1)Br)O AB84315 [0,1,0,0,1,0|2,0,0]=4 443 B11R1.166 CC(=O)c1c(cc(cn1)Cl)F AB75038 [0,1,0,0,1,0|2,0,0]=4 444 B11R1.166 CC(=O)c1c(cc(cn1)Cl)N AB73056 [0,1,0,0,1,0|2,0,0]=4 445 B11R1.166 CC(=O)c1c(cc(cn1)Cl)O AB75011 [0,1,0,0,1,0|2,0,0]=4 446 B11R1.166 CC(=O)c1c(cc(cn1)F)Cl AB74653 [0,1,0,0,1,0|2,0,0]=4 447 B11R1.166 CC(=O)c1c(cc(cn1)F)N AB77154 [0,1,0,0,1,0|2,0,0]=4 448 B11R1.166 CC(=O)c1c(cc(cn1)N)N AB83853 [0,1,0,0,1,0|2,0,0]=4 449 B11R1.166 CC(=O)c1c(cc(cn1)N)O AB84318 [0,1,0,0,1,0|2,0,0]=4 450 B11R1.166 CC(=O)c1ccc(cc1F)Br MB02747 [0,1,0,0,1,0|1,0,0]=3 451 B11R1.166 CC(=O)c1ccc(cc1F)N MB05492 [0,1,0,0,1,0|1,0,0]=3 452 B11R1.166 CC(=O)c1ccc(cc1O)Br AB15427 [0,1,0,0,1,0|1,0,0]=3 453 B11R1.166 CC(=O)c1ccc(nc1Cl)Cl AB64664 [0,1,0,0,1,0|2,0,0]=4 454 B11R1.166 CC(=O)c1ccc(nc1F)Br AB72629 [0,1,0,0,1,0|2,0,0]=4 455 B11R1.166 CC(=O)c1ccc(nc1F)Cl AB72627 [0,1,0,0,1,0|2,0,0]=4 456 B11R1.166 CC(=O)c1ccc(nc1N)Br AB83837 [0,1,0,0,1,0|2,0,0]=4 457 B11R1.166 CC(=O)c1ccc(nc1N)Cl AB75425 [0,1,0,0,1,0|2,0,0]=4 458 B11R1.166 CC(=O)c1ccc(nc1N)N AB83840 [0,1,0,0,1,0|2,0,0]=4 459 B11R1.166 CC(=O)c1ccc(nc1O)Br AB84273 [0,1,0,0,1,0|2,0,0]=4 460 B11R1.166 CC(=O)c1ccc(nc1O)Cl AB72633 [0,1,0,0,1,0|2,0,0]=4 461 B11R1.166 CC(=O)c1ccc(nc1O)N AB84276 [0,1,0,0,1,0|2,0,0]=4 462 B11R1.166 CC(=O)c1cnc(cc1Cl)Cl AB13863 [0,1,0,0,1,0|2,0,0]=4 463 B11R1.166 CC(=O)c1cnc(cc1Cl)F AB71566 [0,1,0,0,1,0|2,0,0]=4 464 B11R1.166 CC(=O)c1cnc(cc1N)Br AB63704 [0,1,0,0,1,0|2,0,0]=4 465 B11R1.166 CC(=O)c1cnc(cc1N)Cl AB83812 [0,1,0,0,1,0|2,0,0]=4 466 B11R1.166 CC(=O)c1cnc(cc1O)Br AB72643 [0,1,0,0,1,0|2,0,0]=4 467 B11R1.166 CC(=O)c1cnc(cc1O)Cl AB84198 [0,1,0,0,1,0|2,0,0]=4 468 B11R1.166 CC(=O)c1cnc(cc1O)N AB84199 [0,1,0,0,1,0|2,0,0]=4 469 B11R1.166 Cc1c(ccc(n1)Cl)C(=O)C AB11952 [0,1,0,0,1,0|2,0,0]=4 470 B11R1.166 Cc1cc(c(cn1)C(=O)C)Cl AB64940 [0,1,0,0,1,0|1,0,0]=3 471 B11R1.166 Cc1cc(c(cn1)C(=O)C)F AB83044 [0,1,0,0,1,0|1,0,0]=3 472 B11R1.166 Cc1cc(c(cn1)C(=O)C)N AB50225 [0,1,0,0,1,0|1,0,0]=3 473 B11R1.166 Cc1cc(c(cn1)C(=O)C)O AB75251 [0,1,0,0,1,0|1,0,0]=3 474 B11R1.166 Cc1cc(c(cn1)C(=O)O)Br AB66861 [0,1,0,0,1,0|2,0,0]=4 475 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl PB14950 [0,1,0,0,1,0|2,0,0]=4 476 B11R1.166 Cc1cc(c(cn1)C(=O)O)F AB66872 [0,1,0,0,1,0|2,0,0]=4 477 B11R1.166 Cc1cc(c(cn1)C(=O)O)N PB15110 [0,1,0,0,1,0|2,0,0]=4 478 B11R1.166 Cc1cc(c(cn1)C(=O)O)O AB17044 [0,1,0,0,1,0|2,0,0]=4 479 B11R1.166 Cc1cc(c(nc1)C(=O)C)C AB50219 [0,1,0,0,1,0|1,0,0]=3 480 B11R1.166 Cc1cc(c(nc1)C(=O)C)Cl AB75090 [0,1,0,0,1,0|1,0,0]=3 481 B11R1.166 Cc1cc(c(nc1)C(=O)C)F AB75164 [0,1,0,0,1,0|1,0,0]=3 482 B11R1.166 Cc1cc(c(nc1)C(=O)C)N AB77150 [0,1,0,0,1,0|1,0,0]=3 483 B11R1.166 Cc1cc(c(nc1)C(=O)C)O AB75244 [0,1,0,0,1,0|1,0,0]=3 484 B11R1.166 Cc1cc(c(nc1)C(=O)O)C AB53520 [0,1,0,0,1,0|2,0,0]=4 485 B11R1.166 Cc1cc(c(nc1)C(=O)O)Cl AB74925 [0,1,0,0,1,0|2,0,0]=4 486 B11R1.166 Cc1cc(c(nc1)C(=O)O)F PB30310 [0,1,0,0,1,0|2,0,0]=4 487 B11R1.166 Cc1cc(c(nc1)C(=O)O)N AB66555 [0,1,0,0,1,0|2,0,0]=4 488 B11R1.166 Cc1cc(ccc1C(=O)N)O MB23401 [0,1,0,0,1,0|2,0,0]=4 489 B11R1.166 Cc1cc(cnc1C(=O)C)Cl AB75124 [0,1,0,0,1,0|2,0,0]=4 490 B11R1.166 Cc1cc(cnc1C(=O)C)F AB74622 [0,1,0,0,1,0|2,0,0]=4 491 B11R1.166 Cc1cc(ncc1C(=O)C)C AB50221 [0,1,0,0,1,0|1,0,0]=3 492 B11R1.166 Cc1cc(ncc1C(=O)C)Cl AB83349 [0,1,0,0,1,0|2,0,0]=4 493 B11R1.166 Cc1cc(ncc1C(=O)C)F AB83065 [0,1,0,0,1,0|2,0,0]=4 494 B11R1.166 Cc1cc(ncc1C(=O)O)C AB05232 [0,1,0,0,1,0|2,0,0]=4 495 B11R1.166 Cc1ccc(c(c1)C)C(=N)N AB18393 [0,1,0,0,1,0|2,0,0]=4 496 B11R1.166 Cc1ccc(c(c1)Cl)C(=N)N AB18279 [0,1,0,0,1,0|2,0,0]=4 497 B11R1.166 Cc1ccc(c(c1)O)C(=O)N MB02488 [0,1,0,0,1,0|1,0,0]=3 498 B11R1.166 Cc1ccc(c(c1)O)C(C)C MB00129 [0,1,0,0,1,0|1,0,1]=4 499 B11R1.166 Cc1ccc(c(c1)O)N(C)C MB23428 [0,1,0,0,1,0|2,0,0]=4 500 B11R1.166 Cc1ccc(c(n1)Br)C(=O)O AB68156 [0,1,0,0,1,0|2,0,0]=4 501 B11R1.166 Cc1ccc(c(n1)C)C(=O)O AB27627 [0,1,0,0,1,0|2,0,0]=4 502 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)C AB64666 [0,1,0,0,1,0|1,0,0]=3 503 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O PB24611 [0,1,0,0,1,0|2,0,0]=4 504 B11R1.166 Cc1ccc(c(n1)N)C(=O)C AB83843 [0,1,0,0,1,0|1,0,0]=3 505 B11R1.166 Cc1ccc(c(n1)N)C(=O)O PB33689 [0,1,0,0,1,0|2,0,0]=4 506 B11R1.166 Cc1ccc(c(n1)O)C(=O)C AB84278 [0,1,0,0,1,0|1,0,0]=3 507 B11R1.166 Cc1ncc(c(n1)Cl)C(=O)C AB76965 [0,1,0,0,1,0|2,0,0]=4 508 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O AB05197 [0,1,0,0,1,0|2,0,0]=4 509 B11R1.166 c1cc(c(cc1Br)F)C(=O)O AB03858 [0,1,0,0,1,0|2,0,0]=4 510 B11R1.166 c1cc(c(cc1Br)N)C(=O)N AB65645 [0,1,0,0,1,0|2,0,0]=4 511 B11R1.166 c1cc(c(cc1Br)N)C(=O)O MB02895 [0,1,0,0,1,0|2,0,0]=4 512 B11R1.166 c1cc(c(cc1Br)O)C(=O)N MB04760 [0,1,0,0,1,0|2,0,0]=4 513 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N MB09408 [0,1,0,0,1,0|2,0,0]=4 514 B11R1.166 c1cc(c(cc1F)Br)C(=O)O AB02279 [0,1,0,0,1,0|2,0,0]=4 515 B11R1.166 c1cc(c(cc1F)F)C(=O)O AB01069 [0,1,0,0,1,0|2,0,0]=4 516 B11R1.166 c1cc(c(cc1F)O)C(=O)N MB25529 [0,1,0,0,1,0|2,0,0]=4 517 B11R1.166 c1cc(c(cc1I)O)C(=O)N MB37556 [0,1,0,0,1,0|2,0,0]=4 518 B11R1.166 c1cc(c(cc1N)O)C(=O)N MB25620 [0,1,0,0,1,0|2,0,0]=4 519 B11R1.166 c1cc(c(cc1O)Br)C(=O)O MB28859 [0,1,0,0,1,0|2,0,0]=4 520 B11R1.166 c1cc(c(cc1O)Cl)C(=O)N MB04155 [0,1,0,0,1,0|2,0,0]=4 521 B11R1.166 c1cc(c(cc1O)F)C(=O)N MB08417 [0,1,0,0,1,0|2,0,0]=4 522 B11R1.166 c1cc(c(cc1O)I)C(=O)N MB32997 [0,1,0,0,1,0|2,0,0]=4 523 B11R1.166 c1cc(c(cc1O)I)C(=O)O MB31618 [0,1,0,0,1,0|2,0,0]=4 524 B11R1.166 c1cc(c(cc1O)N)C(=O)N MB00909 [0,1,0,0,1,0|2,0,0]=4 525 B11R1.166 c1cc(c(cc1O)N)C(=O)O MB00542 [0,1,0,0,1,0|2,0,0]=4 526 B13R1.3 CC(=O)COc1ccc(cc1)C#N AB26115 [0,1,0,0,0,1|0,0,1]=3 527 B13R1.3 CC(=O)COc1ccc(cc1)OC AB16833 [0,1,0,0,0,1|0,0,0]=2 528 B13R1.3 CC(=O)OCc1ccc(nc1)C#N AB49314 [0,1,0,0,0,1|1,0,1]=4 529 B13R1.3 CNc1ccc(cc1)CCC(=O)O AB72168 [0,1,0,0,0,1|2,0,0]=4 530 B13R1.3 COc1ccc(cc1)CCC(=O)O AB00265 [0,1,0,0,0,1|2,0,0]=4 531 B13R1.3 c1cc(ccc1CCl)\C=C\C(=O)O MB09238 [0,1,0,0,0,1|2,0,0]=4 532 B13R1.3 c1cc(ccc1CO)OCC(=O)O AB02325 [0,1,0,0,0,1|1,0,0]=3 533 B13R1.3 c1cc(ccc1CO)\C=C\C(=O)O MB04671 [0,1,0,0,0,1|2,0,0]=4 534 B13R1.14 COC(=O)CCc1ccc(cc1)Br AB55324 [0,1,0,0,0,1|2,0,0]=4 535 B13R1.14 COC(=O)\C=C\c1ccc(cc1)Br AB04162 [0,1,0,0,0,1|2,0,0]=4 536 B13R1.132 Cc1ccc(cc1)C(CC(=O)O)N AB10334 [0,1,0,0,0,1|2,0,0]=4 537 B13R1.132 Cc1ccc(cc1)[C@H](CC(=O)O)N AB16419 [0,1,0,0,0,1|2,0,0]=4 538 B13R1.133 Cc1ccc(cc1)CC(C(=O)O)N AB21662 [0,1,0,0,0,1|2,0,0]=4 539 B13R1.133 Cc1ccc(cc1)C[C@@H](C(=O)O)N AB01742 [0,1,0,0,0,1|2,0,0]=4 540 B13R1.4 CC(C)(C)Oc1ccc(cc1)CN AB23467 [0,2,0,0,0,0|1,0,1]=4 541 B13R1.4 CC(C)(C)Oc1ccc(cc1)CO AB03109 [0,2,0,0,0,0|1,0,1]=4 542 B13R1.5 CC(CN)Oc1ccc(cc1)OC AB12551 [0,2,0,0,0,0|1,0,1]=4 543 B13R1.5 COc1ccc(cc1)CC(=N)OC AB60937 [0,2,0,0,0,0|2,0,0]=4 544 B13R1.35 CC(C)Oc1ccc(c(c1)O)OC MB37143 [0,2,0,0,0,0|1,0,1]=4 545 B13R1.35 CC(C)Oc1ccc(c(c1)O)SC MB26080 [0,2,0,0,0,0|1,0,1]=4 546 B13R1.35 CCc1ccc(cc1O)OC(C)C MB23981 [0,2,0,0,0,0|1,0,1]=4 547 B13R1.36 CCc1ccc(cc1)C(C(=O)O)N AB11989 [0,2,0,0,0,0|2,0,0]=4 548 B13R1.36 CCc1ccc(cc1)C(C(=O)O)N AB24615 [0,2,0,0,0,0|2,0,0]=4 549 B13R1.36 CCc1ccc(cc1)[C@@H](C(=O)O)N AB32689 [0,2,0,0,0,0|2,0,0]=4 550 B13R1.36 CCc1ccc(cc1)[C@H](C(=O)O)N AB32688 [0,2,0,0,0,0|2,0,0]=4 551 B13R1.36 COc1ccc(cc1)C(C(=O)O)N PB10070 [0,2,0,0,0,0|2,0,0]=4 552 B13R1.36 COc1ccc(cc1)[C@@H](C(=O)O)N AB32877 [0,2,0,0,0,0|2,0,0]=4 553 B13R1.36 COc1ccc(cc1)[C@H](C(=O)O)N AB32874 [0,2,0,0,0,0|2,0,0]=4 554 B13R1.142 c1cc(ccc1CCN)CC(=O)O AB30412 [0,2,0,0,0,0|2,0,0]=4 555 B13R1.585 B(c1ccc(cc1)NC(=O)C)(O)O AB11156 [0,2,0,0,0,0|2,0,0]=4 556 B13R1.585 CC(=O)c1ccc(nc1)NC(=O)C AB60282 [0,2,0,0,0,0|2,0,0]=4 557 B13R1.653 CC(=O)Nc1ccc(cc1Br)OC AB63495 [0,2,0,0,0,0|1,0,0]=3 558 B13R1.653 CC(C)Oc1ccc(cc1O)CN MB28319 [0,2,0,0,0,0|1,0,1]=4 559 B13R1.653 CC(C)Oc1ccc(cc1O)SC MB30393 [0,2,0,0,0,0|1,0,1]=4 560 B13R1.653 CCc1ccc(c(c1)O)OC(C)C MB23978 [0,2,0,0,0,0|1,0,1]=4 561 B13R1.653 COc1ccc(c(c1)N)CC(=O)O AB26287 [0,2,0,0,0,0|2,0,0]=4 562 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)Cl AB48597 [0,2,0,0,0,0|2,0,0]=4 563 B13R1.518 Cc1ccc(cc1O)NS(=O)(=O)C MB23419 [0,2,0,0,0,0|2,0,0]=4 564 B13R1.518 Cc1ccc(cc1O)OC(C)(C)C MB23467 [0,2,0,0,0,0|1,0,1]=4 565 B13R1.2879 Cc1cc(ccc1O)CC(=O)OC AB43599 [0,2,0,0,0,0|2,0,0]=4 566 B13R1.2879 Cc1ccc(cc1C)OC(C)CN AB23628 [0,2,0,0,0,0|1,0,1]=4 567 B13R1.3528 Cc1c(ccc(c1Cl)Br)NC(=O)C CB11047 [0,2,0,0,0,0|2,0,0]=4 568 B13R1.21 COC(=O)C(c1ccc(cc1)N)Br AB66082 [0,2,0,0,0,0|2,0,0]=4 569 B13R1.21 COC(=O)[C@H](c1ccc(cc1)F)N AB48592 [0,2,0,0,0,0|2,0,0]=4 570 B13R1.163 Cc1ccc(c(c1)C)C(C(=O)O)N AB24608 [0,2,0,0,0,0|2,0,0]=4 571 B13R1.19 CCOC(=O)Cc1ccc(cn1)C AB62474 [0,2,0,0,0,0|2,0,0]=4 572 B13R1.2679 Cc1ccc(c(c1)C)OC(C)CN AB38873 [0,2,0,0,0,0|1,0,1]=4 573 B13R1.883 Cc1ccc(c(c1)O)NS(=O)(=O)C MB03674 [0,2,0,0,0,0|2,0,0]=4 574 B13R1.883 Cc1ccc(c(c1)O)OC(C)(C)C MB23463 [0,2,0,0,0,0|1,0,1]=4 575 B13R1.51 CC(=O)Oc1ccc(cc1C=C)Br AB72078 [0,2,0,0,0,0|1,0,0]=3 576 B11R2.36 Cc1ccc2c(c1)CNC2 AB49687 [1,0,0,1,0,0|2,0,0]=4 577 B11R2.36 Cc1ccc2c(c1)N=CC2 PB25888 [1,0,0,1,0,0|2,0,0]=4 578 B11R2.36 Cc1ccc2c(c1)cco2 MB00739 [1,0,0,1,0,0|0,0,1]=3 579 B11R2.36 Cc1ccc2c(c1)scn2 AB09070 [1,0,0,1,0,0|1,1,0]=4 580 B11R2.36 c1cc2c(cc1Br)nco2 AB13423 [1,0,0,1,0,0|2,0,0]=4 581 B11R2.36 c1cc2c(cc1F)CCO2 AB43939 [1,0,0,1,0,0|1,0,1]=4 582 B11R2.36 c1cc2c(cc1F)nco2 AB45629 [1,0,0,1,0,0|2,0,0]=4 583 B11R2.36 c1cc2c(cc1N)CCO2 AB15578 [1,0,0,1,0,0|1,0,1]=4 584 B11R2.36 c1cc2c(cc1N)nco2 AB21693 [1,0,0,1,0,0|2,0,0]=4 585 B11R2.36 c1cc2c(cco2)cc1Br MB02701 [1,0,0,1,0,0|1,0,1]=4 586 B11R2.36 c1cc2c(cco2)cc1Cl AB62579 [1,0,0,1,0,0|1,0,1]=4 587 B11R2.36 c1cc2c(cco2)cc1F AB43937 [1,0,0,1,0,0|1,0,1]=4 588 B11R2.36 c1cc2c(cco2)cc1N AB20798 [1,0,0,1,0,0|1,0,1]=4 589 B11R2.36 c1cc2c(cco2)cc1O MB08821 [1,0,0,1,0,0|1,0,1]=4 590 B11R2.10 Cc1nc2c(o1)cccn2 AB21689 [1,0,0,1,0,0|2,0,0]=4 591 B11R2.10 c1cc2c(nc1)CC(=O)N2 PB29192 [1,0,0,1,0,0|2,0,0]=4 592 B11R2.10 c1cc2c(nc1)NC(=O)C2 PB29419 [1,0,0,1,0,0|2,0,0]=4 593 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [1,0,0,1,0,0|1,0,0]=3 594 B11R2.10 c1ccc2c(c1)cc(o2)Br MB02457 [1,0,0,1,0,0|1,0,1]=4 595 B11R2.10 c1ccc2c(c1)nc(o2)Cl AB00524 [1,0,0,1,0,0|2,0,0]=4 596 B11R2.10 c1cncc2c1CC(=O)N2 PB19637 [1,0,0,1,0,0|2,0,0]=4 597 B11R2.10 c1cncc2c1NC(=O)C2 PB17659 [1,0,0,1,0,0|2,0,0]=4 598 B13R2.147 c1cc(ccc1C2CC(=O)C2)Br PB24838 [0,0,0,1,0,1|2,0,0]=4 599 B13R2.155 Cc1cc2c(cn1)CNC(=O)C2 AB77276 [0,0,0,1,0,1|2,0,0]=4 600 B13R2.155 Cc1cc2c(nc1)CCC(=O)C2 AB61018 [0,0,0,1,0,1|2,0,0]=4 601 B13R2.155 Cc1ccc2c(c1)CC(=O)N=C2 MB08960 [0,0,0,1,0,1|1,0,0]=3 602 B13R2.155 Cc1ccc2c(c1)CC(CO2)N AB45770 [0,0,0,1,0,1|1,0,1]=4 603 B13R2.155 Cc1ccc2c(c1)C[C@@H](CO2)N AB56592 [0,0,0,1,0,1|1,0,1]=4 604 B13R2.155 Cc1ccc2c(c1)C[C@H](CO2)N AB56610 [0,0,0,1,0,1|1,0,1]=4 605 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 AB09061 [0,0,0,1,0,1|1,0,0]=3 606 B13R2.155 Cc1ccc2c(n1)CC(=O)NC2 AB77215 [0,0,0,1,0,1|2,0,0]=4 607 B13R2.155 Cc1ccc2ccc(=O)[nH]c2c1 MB10586 [0,0,0,1,0,1|2,0,0]=4 608 B13R2.155 c1cc2c(cc1Br)CC(=O)CC2 AB17100 [0,0,0,1,0,1|2,0,0]=4 609 B13R2.155 c1cc2c(cc1Br)CC(=O)CO2 AB56614 [0,0,0,1,0,1|1,0,0]=3 610 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 AB06108 [0,0,0,1,0,1|2,0,0]=4 611 B13R2.155 c1cc2c(cc1Cl)CC(=O)CC2 AB17122 [0,0,0,1,0,1|2,0,0]=4 612 B13R2.155 c1cc2c(cc1Cl)CC(=O)CO2 AB56616 [0,0,0,1,0,1|1,0,0]=3 613 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 AB04397 [0,0,0,1,0,1|2,0,0]=4 614 B13R2.155 c1cc2c(cc1F)CC(=O)CC2 AB17129 [0,0,0,1,0,1|2,0,0]=4 615 B13R2.155 c1cc2c(cc1F)CC(=O)CO2 AB56620 [0,0,0,1,0,1|1,0,0]=3 616 B13R2.155 c1cc2c(cc1F)NC(=O)CO2 AB14546 [0,0,0,1,0,1|2,0,0]=4 617 B13R2.155 c1cc2c(cc1I)NC(=O)CO2 MB04727 [0,0,0,1,0,1|2,0,0]=4 618 B13R2.155 c1cc2c(cc1N)CC(=O)CC2 AB21791 [0,0,0,1,0,1|2,0,0]=4 619 B13R2.155 c1cc2c(cc1O)CC(=O)CC2 AB17138 [0,0,0,1,0,1|2,0,0]=4 620 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 AB64531 [0,0,0,1,0,1|2,0,0]=4 621 B13R2.527 Cc1ccc(cc1)OCC2CO2 AB02014 [0,0,0,1,0,1|0,0,2]=4 622 B13R2.184 CCc1ccc(cc1)OC2CC2 MB38311 [0,1,0,1,0,0|1,0,1]=4 623 B13R2.184 CNc1ccc(cc1)OC2CC2 MB50677 [0,1,0,1,0,0|1,0,1]=4 624 B13R2.184 COc1ccc(cc1)OC2CC2 MB35609 [0,1,0,1,0,0|1,0,1]=4 625 B13R2.184 CSc1ccc(cc1)OC2CC2 MB51019 [0,1,0,1,0,0|1,0,1]=4 626 B13R2.184 c1cc(ccc1CN)OC2CC2 MB20084 [0,1,0,1,0,0|1,0,1]=4 627 B13R2.2121 COc1cc2c(cn1)NC(=O)C2 AB62587 [0,1,0,1,0,0|2,0,0]=4 628 B13R2.2121 COc1cc2c(nc1)NC(=O)C2 AB66479 [0,1,0,1,0,0|2,0,0]=4 629 B13R2.2121 COc1ccc2c(c1)CC(=O)N2 AB10027 [0,1,0,1,0,0|1,0,0]=3 630 B13R2.2121 COc1ccc2c(c1)NC(=O)C2 AB05458 [0,1,0,1,0,0|2,0,0]=4 631 B13R2.2121 COc1ccc2c(c1)nc(o2)Cl AB63673 [0,1,0,1,0,0|2,0,0]=4 632 B13R2.2121 COc1ccc2c(n1)CC(=O)N2 AB11411 [0,1,0,1,0,0|2,0,0]=4 633 B13R2.2121 c1cc2c(cc1C#N)CC(=O)N2 AB11378 [0,1,0,1,0,0|1,0,1]=4 634 B13R2.521 Cc1ccc(cc1Br)OC2CC2 MB33762 [0,1,0,1,0,0|1,0,1]=4 635 B13R2.521 Cc1ccc(cc1C)OC2CC2 MB36089 [0,1,0,1,0,0|1,0,1]=4 636 B13R2.521 Cc1ccc(cc1Cl)OC2CC2 MB30594 [0,1,0,1,0,0|1,0,1]=4 637 B13R2.521 Cc1ccc(cc1F)OC2CC2 MB37103 [0,1,0,1,0,0|1,0,1]=4 638 B13R2.521 Cc1ccc(cc1I)OC2CC2 MB35928 [0,1,0,1,0,0|1,0,1]=4 639 B13R2.521 Cc1ccc(cc1N)OC2CC2 MB34662 [0,1,0,1,0,0|1,0,1]=4 640 B13R2.3050 c1cc(c(c2c1NC(=O)C2)Cl)F MB12060 [0,1,0,1,0,0|2,0,0]=4 641 B13R2.3050 c1cc(c(c2c1NC(=O)C2)F)Cl MB69359 [0,1,0,1,0,0|2,0,0]=4 642 B13R2.3050 c1cc(c(c2c1NC(=O)C2)F)F AB17537 [0,1,0,1,0,0|2,0,0]=4 643 B13R2.13083 c1c2c(cc(c1Cl)Cl)NC(=O)C2 PB34325 [0,1,0,1,0,0|2,0,0]=4 644 B13R2.13083 c1c2c(cc(c1Cl)F)NC(=O)C2 MB15007 [0,1,0,1,0,0|2,0,0]=4 645 B13R2.13083 c1c2c(cc(c1F)Cl)NC(=O)C2 PB28055 [0,1,0,1,0,0|2,0,0]=4 646 B13R2.5190 CN1c2ccc(cc2CC1=O)N PB12659 [0,1,0,1,0,0|2,0,0]=4 647 B13R2.43 Cc1ccc2c(c1)cc(o2)C=O MB09963 [0,1,0,1,0,0|0,0,1]=3 648 B13R2.43 Cc1ccc2c(c1)nc(o2)C=O AB57714 [0,1,0,1,0,0|1,0,0]=3 649 B13R2.43 Cc1ccc2c(c1)nc(o2)CCl AB30939 [0,1,0,1,0,0|1,0,0]=3 650 B13R2.43 Cc1ccc2c(c1)nc(o2)CN AB51030 [0,1,0,1,0,0|1,0,0]=3 651 B13R2.43 Cc1ccc2c(c1)oc(n2)C=O AB57711 [0,1,0,1,0,0|2,0,0]=4 652 B13R2.43 Cc1ccc2c(c1)oc(n2)CCl AB30941 [0,1,0,1,0,0|1,0,1]=4 653 B13R2.43 Cc1ccc2c(c1)oc(n2)CN AB57745 [0,1,0,1,0,0|1,0,1]=4 654 B13R2.43 c1cc2c(cc1Br)cc(o2)C=O MB03958 [0,1,0,1,0,0|1,0,1]=4 655 B13R2.43 c1cc2c(cc1Br)nc(o2)C=O AB49173 [0,1,0,1,0,0|2,0,0]=4 656 B13R2.43 c1cc2c(cc1Br)nc(o2)CN AB57727 [0,1,0,1,0,0|2,0,0]=4 657 B13R2.43 c1cc2c(cc1Cl)nc(o2)C=O AB49176 [0,1,0,1,0,0|2,0,0]=4 658 B13R2.43 c1cc2c(cc1Cl)nc(o2)CCl AB21912 [0,1,0,1,0,0|2,0,0]=4 659 B13R2.43 c1cc2c(cc1Cl)nc(o2)CN AB51132 [0,1,0,1,0,0|2,0,0]=4 660 B13R2.43 c1cc2c(cc1F)nc(o2)C=O AB49178 [0,1,0,1,0,0|2,0,0]=4 661 B13R2.43 c1cc2c(cc1F)nc(o2)CCl AB57759 [0,1,0,1,0,0|2,0,0]=4 662 B13R2.43 c1cc2c(cc1F)nc(o2)CN AB51033 [0,1,0,1,0,0|2,0,0]=4 663 B13R2.3028 CN1c2cc(ccc2CC1=O)N PB27060 [0,1,0,1,0,0|2,0,0]=4 664 B13R2.3683 Cc1cc2c(cn1)CC(=O)NC2 AB77252 [0,1,0,1,0,0|2,0,0]=4 665 B13R2.3683 Cc1ccc2=NC(=O)CC=c2c1 AB43959 [0,1,0,1,0,0|1,0,0]=3 666 B13R2.3683 Cc1ccc2c(c1)OCC(=O)C2 AB56631 [0,1,0,1,0,0|1,0,0]=3 667 B13R2.3683 Cc1ccc2c(c1)OCC(=O)N2 AB12998 [0,1,0,1,0,0|1,0,0]=3 668 B13R2.3683 Cc1ccc2c(n1)CCC(=O)C2 AB61021 [0,1,0,1,0,0|2,0,0]=4 669 B13R2.3683 Cc1ccc2c(n1)OCC(=O)C2 AB74026 [0,1,0,1,0,0|2,0,0]=4 670 B13R2.3683 c1cc2=NC(=O)CC=c2cc1Cl MB02518 [0,1,0,1,0,0|2,0,0]=4 671 B13R2.3683 c1cc2=NC(=O)CC=c2cc1F AB43955 [0,1,0,1,0,0|2,0,0]=4 672 B13R2.3683 c1cc2=NC(=O)CC=c2cc1N MB01653 [0,1,0,1,0,0|2,0,0]=4 673 B13R2.3683 c1cc2=NC(=O)CC=c2cc1O AB16464 [0,1,0,1,0,0|2,0,0]=4 674 B13R2.3683 c1cc2c(cc1Br)CCC(=O)C2 AB05455 [0,1,0,1,0,0|2,0,0]=4 675 B13R2.3683 c1cc2c(cc1Br)OCC(=O)C2 AB56634 [0,1,0,1,0,0|2,0,0]=4 676 B13R2.3683 c1cc2c(cc1Br)OCC(=O)N2 AB42341 [0,1,0,1,0,0|2,0,0]=4 677 B13R2.3683 c1cc2c(cc1Cl)CCC(=O)C2 AB16018 [0,1,0,1,0,0|2,0,0]=4 678 B13R2.3683 c1cc2c(cc1Cl)OCC(=O)C2 AB56636 [0,1,0,1,0,0|2,0,0]=4 679 B13R2.3683 c1cc2c(cc1Cl)OCC(=O)N2 AB12999 [0,1,0,1,0,0|2,0,0]=4 680 B13R2.3683 c1cc2c(cc1F)CCC(=O)C2 AB12639 [0,1,0,1,0,0|2,0,0]=4 681 B13R2.3683 c1cc2c(cc1F)OCC(=O)C2 AB56639 [0,1,0,1,0,0|2,0,0]=4 682 B13R2.3683 c1cc2c(cc1F)OCC(=O)N2 AB42343 [0,1,0,1,0,0|2,0,0]=4 683 B13R2.3683 c1cc2c(cc1I)OCC(=O)N2 MB04728 [0,1,0,1,0,0|2,0,0]=4 684 B13R2.3683 c1cc2c(cc1N)CCC(=O)N2 AB06458 [0,1,0,1,0,0|2,0,0]=4 685 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 MB02829 [0,1,0,1,0,0|2,0,0]=4 686 B13R2.3683 c1cc2c(cc1O)CCC(=O)C2 MB03486 [0,1,0,1,0,0|2,0,0]=4 687 B13R2.3683 c1cc2c(cc1O)OCC(=O)N2 MB11352 [0,1,0,1,0,0|2,0,0]=4 688 B13R2.5400 Cc1ccc(c(c1)Br)OC2CC2 MB33841 [0,1,0,1,0,0|1,0,1]=4 689 B13R2.5400 Cc1ccc(c(c1)C)OC2CC2 MB50582 [0,1,0,1,0,0|1,0,1]=4 690 B13R2.5400 Cc1ccc(c(c1)Cl)OC2CC2 MB31541 [0,1,0,1,0,0|1,0,1]=4 691 B13R2.5400 Cc1ccc(c(c1)F)OC2CC2 MB37420 [0,1,0,1,0,0|1,0,1]=4 692 B13R2.5400 Cc1ccc(c(c1)I)OC2CC2 MB33415 [0,1,0,1,0,0|1,0,1]=4 693 B13R2.5400 Cc1ccc(c(c1)N)OC2CC2 MB28497 [0,1,0,1,0,0|1,0,1]=4 694 B9R1.6 CC(=O)c1ccccn1 AB00686 [1,0,0,0,1,0|1,0,0]=3 695 B9R1.6 CC(=O)c1cccnc1 AB00750 [1,0,0,0,1,0|1,0,0]=3 696 B9R1.6 CC(=O)c1cccnn1 PB16551 [1,0,0,0,1,0|2,0,0]=4 697 B9R1.6 CC(=O)c1ccncc1 AB00760 [1,0,0,0,1,0|1,0,0]=3 698 B9R1.6 CC(=O)c1ccncn1 PB17606 [1,0,0,0,1,0|2,0,0]=4 699 B9R1.6 CC(=O)c1ccnnc1 PB26895 [1,0,0,0,1,0|2,0,0]=4 700 B9R1.6 CC(=O)c1cnccn1 AB00602 [1,0,0,0,1,0|2,0,0]=4 701 B9R1.6 CC(=O)c1cncnc1 PB20327 [1,0,0,0,1,0|2,0,0]=4 702 B9R1.6 CC(=O)c1ncccn1 PB34295 [1,0,0,0,1,0|2,0,0]=4 703 B9R1.6 CC(c1ccccc1)Cl AB01249 [1,0,0,0,1,0|1,0,1]=4 704 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [1,0,0,0,1,0|2,0,0]=4 705 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [1,0,0,0,1,0|2,0,0]=4 706 B9R1.6 c1cnccc1C(=O)O AB00757 [1,0,0,0,1,0|2,0,0]=4 707 B9R1.13 CC(=O)Nc1ccsc1 AB04169 [1,0,0,0,1,0|2,0,0]=4 708 B9R1.35 CC(=O)c1cc(cs1)Cl PB13009 [0,0,0,0,2,0|2,0,0]=4 709 B9R1.35 CC(=O)c1cc(sc1)Br AB71462 [0,0,0,0,2,0|2,0,0]=4 710 B9R1.35 CC(=O)c1cc(sc1)Cl PB18443 [0,0,0,0,2,0|2,0,0]=4 711 B9R1.35 CC(=O)c1ccc(o1)Br AB25597 [0,0,0,0,2,0|2,0,0]=4 712 B9R1.35 CC(=O)c1ccc(s1)Br PB24550 [0,0,0,0,2,0|2,0,0]=4 713 B9R1.35 CC(=O)c1ccc(s1)Cl PB11578 [0,0,0,0,2,0|2,0,0]=4 714 B9R1.35 Cc1[nH]c(cn1)C(=O)C AB51549 [0,0,0,0,2,0|2,0,0]=4 715 B9R1.35 Cc1cc(cs1)C(=O)O PB14265 [0,0,0,0,2,0|2,0,0]=4 716 B9R1.35 Cc1cc(sc1)C(=O)O PB14117 [0,0,0,0,2,0|2,0,0]=4 717 B9R1.35 Cc1ccc(s1)C(=O)C AB01148 [0,0,0,0,2,0|1,0,0]=3 718 B9R1.35 Cc1ccc(s1)C(=O)O AB00425 [0,0,0,0,2,0|2,0,0]=4 719 B9R1.35 Cc1csc(n1)C(=O)C AB32246 [0,0,0,0,2,0|2,0,0]=4 720 B11R1.91 CC(=O)OCc1cccnc1 AB49310 [1,0,0,0,0,1|1,0,0]=3 721 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [1,0,0,0,0,1|1,0,0]=3 722 B13R1.513 CC(=O)OCCc1ccc(cc1)O AB51485 [0,0,0,0,0,2|1,0,0]=3