0 B10R1.2 CCC1=NC=NC(=O)C1F PB26509 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.2 CCc1c(c(ncn1)Cl)Cl AB63593 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.2 CCc1c(c(ncn1)Cl)F PB10473 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.2 CCc1c(c(ncn1)N)Cl AB54958 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.2 CCc1c(c(ncn1)O)Cl AB63595 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.2 CCc1cccc(c1Br)O MB24080 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.2 CCc1cccc(c1C)O MB24030 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.2 CCc1cccc(c1Cl)O MB24081 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.2 CCc1cccc(c1F)O MB24054 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.2 CCc1cccc(c1I)O MB24055 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.2 CCc1cccc(c1N)O MB24059 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.2 CCc1cccc(c1O)Br MB02008 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.2 CCc1cccc(c1O)Cl MB02005 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.2 CCc1cccc(c1O)F MB24014 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.2 CCc1cccc(c1O)I MB24016 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.2 CCc1cccc(c1O)N MB24022 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.2 CNc1cccc(c1Br)O MB28270 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.2 CNc1cccc(c1Cl)O MB26964 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.2 CNc1cccc(c1F)O MB34647 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.2 CNc1cccc(c1I)O MB29498 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.2 CNc1cccc(c1N)O MB33054 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.2 CNc1cccc(c1O)Br MB26263 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.2 CNc1cccc(c1O)Cl MB33654 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.2 CNc1cccc(c1O)F MB28274 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.2 CNc1cccc(c1O)I MB32214 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.2 CNc1cccc(c1O)N MB33525 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.2 COc1c(c(ccn1)Br)F AB71080 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.2 COc1c(c(ccn1)Cl)N AB71673 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.2 COc1c(c(ccn1)Cl)O AB75738 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.2 COc1c(c(ccn1)I)F AB71332 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.2 COc1c(c(ccn1)N)Br PB32978 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.2 COc1c(c(ccn1)N)Cl AB65262 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.2 COc1c(c(ccn1)N)F AB70892 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.2 COc1c(c(ccn1)N)N AB56399 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.2 COc1c(c(ccn1)O)Cl AB71177 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.2 COc1cccc(c1Br)O MB06929 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.2 COc1cccc(c1Cl)N PB11874 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.2 COc1cccc(c1Cl)O MB06074 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.2 COc1cccc(c1F)O MB09318 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.2 COc1cccc(c1I)O MB14766 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.2 COc1cccc(c1N)O MB12204 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.2 COc1cccc(c1O)Br PB18847 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.2 COc1cccc(c1O)Cl MB25402 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.2 COc1cccc(c1O)I MB09225 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.2 COc1cccc(c1O)N MB25613 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.2 COc1ccnc(c1O)Cl AB71167 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.2 COc1cncc(c1O)Cl AB75737 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.2 CSc1cccc(c1Br)O MB26789 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.2 CSc1cccc(c1Cl)O MB33312 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.2 CSc1cccc(c1F)O MB25404 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.2 CSc1cccc(c1I)O MB31760 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.2 CSc1cccc(c1N)O MB32351 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.2 CSc1cccc(c1O)Cl MB27718 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.2 CSc1cccc(c1O)F MB25614 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.2 CSc1cccc(c1O)I MB28360 [0,0,0,0,0,0|3,0,0]=3 55 B10R1.2 CSc1cccc(c1O)N MB28757 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.2 Cc1c(cccc1O)NC MB37053 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.2 Cc1c(cccc1OC)O MB09432 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.2 Cc1c(cccc1SC)O MB35924 [0,0,0,0,0,0|3,0,1]=4 59 B10R1.2 Cc1c(ccnc1CCl)Cl AB75387 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.2 Cc1c(ccnc1CCl)F AB82925 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.2 Cc1c(ccnc1CN)Br AB40727 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.2 Cc1c(ccnc1CN)Cl AB40719 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.2 Cc1c(ccnc1CN)F AB82928 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.2 Cc1c(ccnc1CO)Br AB53756 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.2 Cc1cccc(c1N)CN MB08906 [0,0,0,0,0,0|4,0,0]=4 66 B10R1.2 Cc1cccc(c1N)OC AB02877 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.2 Cc1cccc(c1O)C#N MB07838 [0,0,0,0,0,0|3,0,1]=4 68 B10R1.2 Cc1cccc(c1O)CN MB05058 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.2 Cc1cccc(c1O)NC MB31993 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.2 Cc1cccc(c1O)SC MB31066 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.2 Cc1ccnc(c1Br)OC PB25008 [0,0,0,0,0,0|4,0,0]=4 72 B10R1.2 Cc1ccnc(c1C)CCl AB49318 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.2 Cc1ccnc(c1C)CN AB76790 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.2 Cc1ccnc(c1Cl)CCl AB83300 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.2 Cc1ccnc(c1Cl)CN AB83302 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.2 Cc1ccnc(c1O)C=O AB75246 [0,0,0,0,0,0|3,0,1]=4 77 B10R1.2 c1c(c(c(cn1)Cl)O)CCl AB84031 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.2 c1c(c(c(cn1)Cl)O)CN AB84033 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.2 c1cc(c(c(c1)Br)O)C#N PB14860 [0,0,0,0,0,0|3,0,1]=4 80 B10R1.2 c1cc(c(c(c1)Br)O)C=O AB01203 [0,0,0,0,0,0|3,0,1]=4 81 B10R1.2 c1cc(c(c(c1)Br)O)CN MB05060 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.2 c1cc(c(c(c1)Cl)O)C#N MB08412 [0,0,0,0,0,0|3,0,1]=4 83 B10R1.2 c1cc(c(c(c1)Cl)O)C=O AB21383 [0,0,0,0,0,0|3,0,1]=4 84 B10R1.2 c1cc(c(c(c1)Cl)O)CN MB34616 [0,0,0,0,0,0|3,0,0]=3 85 B10R1.2 c1cc(c(c(c1)F)F)CCl AB13673 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.2 c1cc(c(c(c1)F)O)C#N MB11932 [0,0,0,0,0,0|3,0,1]=4 87 B10R1.2 c1cc(c(c(c1)F)O)C=O AB00313 [0,0,0,0,0,0|3,0,1]=4 88 B10R1.2 c1cc(c(c(c1)F)O)CN MB05070 [0,0,0,0,0,0|3,0,0]=3 89 B10R1.2 c1cc(c(c(c1)I)O)C#N MB14863 [0,0,0,0,0,0|3,0,1]=4 90 B10R1.2 c1cc(c(c(c1)I)O)C=O MB12368 [0,0,0,0,0,0|3,0,1]=4 91 B10R1.2 c1cc(c(c(c1)I)O)CN MB29107 [0,0,0,0,0,0|3,0,0]=3 92 B10R1.2 c1cc(c(c(c1)N)F)CN AB65760 [0,0,0,0,0,0|4,0,0]=4 93 B10R1.2 c1cc(c(c(c1)N)O)C#N MB02411 [0,0,0,0,0,0|3,0,1]=4 94 B10R1.2 c1cc(c(c(c1)N)O)CN MB34782 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.2 c1cc(c(c(c1)O)Br)CN MB08516 [0,0,0,0,0,0|3,0,1]=4 96 B10R1.2 c1cc(c(c(c1)O)F)CN MB25461 [0,0,0,0,0,0|3,0,1]=4 97 B10R1.2 c1cc(c(c(c1)O)I)CN MB34403 [0,0,0,0,0,0|3,0,1]=4 98 B10R1.2 c1cc(c(c(c1)O)N)CN MB35261 [0,0,0,0,0,0|3,0,1]=4 99 B10R1.2 c1cnc(c(c1Br)O)C=O AB84603 [0,0,0,0,0,0|3,0,1]=4 100 B10R1.2 c1cnc(c(c1CCl)O)Cl AB71002 [0,0,0,0,0,0|4,0,0]=4 101 B10R1.2 c1cnc(c(c1CN)O)Cl AB76795 [0,0,0,0,0,0|4,0,0]=4 102 B10R1.2 c1cnc(c(c1Cl)F)CCl AB70769 [0,0,0,0,0,0|4,0,0]=4 103 B10R1.2 c1cnc(c(c1Cl)F)CN AB70770 [0,0,0,0,0,0|4,0,0]=4 104 B10R1.2 c1cnc(c(c1Cl)O)C=O AB75013 [0,0,0,0,0,0|3,0,1]=4 105 B10R1.2 c1cnc(c(c1Cl)O)CCl AB83984 [0,0,0,0,0,0|3,0,0]=3 106 B10R1.2 c1cnc(c(c1Cl)O)CN AB76801 [0,0,0,0,0,0|3,0,0]=3 107 B10R1.2 c1cnc(c(c1F)Cl)CCl AB83006 [0,0,0,0,0,0|4,0,0]=4 108 B10R1.2 c1cnc(c(c1F)Cl)CN AB83007 [0,0,0,0,0,0|4,0,0]=4 109 B10R1.2 c1cnc(c(c1N)Cl)CN AB83927 [0,0,0,0,0,0|4,0,0]=4 110 B10R1.2 c1cnc(c(c1N)O)C=O AB84604 [0,0,0,0,0,0|3,0,1]=4 111 B10R1.2 c1cnc(c(c1O)Cl)CCl AB84054 [0,0,0,0,0,0|3,0,1]=4 112 B10R1.2 c1cnc(c(c1O)Cl)CN AB84056 [0,0,0,0,0,0|3,0,1]=4 113 B9R1.2 CCc1cc(ccn1)Br AB63995 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.2 CCc1cc(ccn1)O MB11624 [1,0,0,0,0,0|1,0,1]=3 115 B9R1.2 CCc1cc(cnc1)Br PB34416 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.2 CCc1cc(cnc1)O MB12329 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.2 CCc1cc(ncn1)Br MB09510 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.2 CCc1cc(ncn1)Cl AB51253 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.2 CCc1cc(ncn1)N AB54955 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.2 CCc1cc(ncn1)O AB54953 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.2 CCc1cccc(n1)Br MB10338 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.2 CCc1nccc(n1)Cl AB51249 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.2 CNc1cc(ccn1)Br MB07801 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.2 CNc1cc(ccn1)O MB29569 [1,0,0,0,0,0|2,0,1]=4 125 B9R1.2 CNc1cccc(c1)O MB25493 [1,0,0,0,0,0|2,0,1]=4 126 B9R1.2 COc1cc(ccn1)Br AB44876 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.2 COc1cc(ccn1)Cl AB27571 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.2 COc1cc(ccn1)F AB53299 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.2 COc1cc(ccn1)I MB06098 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.2 COc1cc(ccn1)N PB20942 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.2 COc1cc(ccn1)O MB11972 [1,0,0,0,0,0|2,0,1]=4 132 B9R1.2 CSc1[nH]c(=O)ccn1 PB24697 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.2 CSc1cc(ccn1)Br MB09718 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.2 CSc1cc(ccn1)O MB36936 [1,0,0,0,0,0|2,0,1]=4 135 B9R1.2 Cc1ccnc(c1)CCl AB42303 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.2 Cc1ccnc(c1)CN AB23452 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [1,0,0,0,0,0|2,0,1]=4 139 B9R1.2 c1cnc(cc1Br)CCl AB67964 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.2 c1cnc(cc1Br)CN PB17414 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.2 c1cnc(cc1Br)CO PB31388 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.2 c1cnc(cc1Cl)CCl AB42295 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.2 c1cnc(cc1Cl)CCl MB05829 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.2 c1cnc(cc1Cl)CN PB27784 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.2 c1cnc(cc1Cl)CO PB23493 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.2 c1cnc(cc1F)CCl AB68051 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.2 c1cnc(cc1F)CN AB65162 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.2 c1cnc(cc1O)CN MB14853 [1,0,0,0,0,0|2,0,1]=4 149 B9R1.3 Cc1c(c(ccn1)Br)Cl AB63983 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.3 Cc1c(c(ccn1)Cl)Br AB63984 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.3 Cc1c(c(ccn1)Cl)Cl AB53567 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.3 Cc1c(c(ccn1)Cl)N AB70877 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.3 Cc1c(c(ccn1)Cl)O AB71205 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.3 Cc1c(c(ccn1)F)Br AB71088 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.3 Cc1c(c(ccn1)F)N AB70905 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.3 Cc1c(c(ccn1)F)O AB71324 [1,0,0,0,0,0|2,0,0]=3 157 B9R1.3 Cc1c(c(ccn1)N)Cl AB51074 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.3 Cc1c(c(ccn1)N)N AB55860 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.3 Cc1c(c(ccn1)O)Cl AB71193 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.3 Cc1c(nccc1Br)C AB74548 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.3 Cc1c(nccc1Cl)C AB72126 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.3 Cc1c(nccc1N)C AB01511 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.3 Cc1c(nccc1O)C AB75493 [1,0,0,0,0,0|2,0,1]=4 164 B9R1.3 Cc1cccc(c1Br)O MB08359 [1,0,0,0,0,0|2,0,1]=4 165 B9R1.3 Cc1cccc(c1Cl)O MB00390 [1,0,0,0,0,0|2,0,1]=4 166 B9R1.3 Cc1cccc(c1F)N AB25121 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.3 Cc1cccc(c1I)O MB23494 [1,0,0,0,0,0|2,0,1]=4 168 B9R1.3 Cc1cccc(c1N)Br MB03160 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.3 Cc1cccc(c1N)F MB03934 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.3 Cc1cccc(c1O)F MB11516 [1,0,0,0,0,0|2,0,0]=3 171 B9R1.3 Cc1cccc(c1O)I MB23471 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.3 Cc1cccc(c1O)N MB02950 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.3 Cc1ccnc(c1Br)C AB53712 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.3 Cc1ccnc(c1N)C AB43810 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.3 Cc1ccnc(c1O)C AB43831 [1,0,0,0,0,0|2,0,0]=3 176 B9R1.3 Cc1ccnc(c1O)Cl AB17632 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.3 Cc1ccnc(c1O)F AB71297 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.3 Cc1cncc(c1O)C AB82550 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.3 Cc1cncc(c1O)Cl AB75744 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.3 Cc1cncc(c1O)F AB25961 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.3 c1cc(c(c(c1)Br)O)Cl MB08152 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.3 c1cc(c(c(c1)Br)O)N AB44905 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.3 c1cc(c(c(c1)F)O)N AB45742 [1,0,0,0,0,0|3,0,0]=4 184 B9R1.3 c1cc(c(c(c1)I)O)Br MB25662 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.3 c1cc(c(c(c1)I)O)Cl MB14795 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.3 c1cc(c(c(c1)I)O)F MB05032 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.3 c1cc(c(c(c1)I)O)I MB25505 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.3 c1cc(c(c(c1)I)O)N MB35855 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.3 c1cc(c(c(c1)N)O)N MB01221 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.3 c1cnc(c(c1Br)O)Cl AB70925 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.3 c1cnc(c(c1Cl)O)Br AB74968 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.3 c1cnc(c(c1Cl)O)Cl AB70492 [1,0,0,0,0,0|3,0,0]=4 193 B9R1.3 c1cnc(c(c1Cl)O)F AB71148 [1,0,0,0,0,0|3,0,0]=4 194 B9R1.3 c1cnc(c(c1Cl)O)N AB53290 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.3 c1cnc(c(c1Cl)O)O AB83983 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.3 c1cnc(c(c1I)O)I MB09113 [1,0,0,0,0,0|3,0,0]=4 197 B9R1.3 c1cnc(c(c1N)O)Cl AB70863 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.3 c1cnc(c(c1O)O)Cl AB70497 [1,0,0,0,0,0|2,0,1]=4 199 B9R1.15 CCc1c(cccn1)Br AB68544 [1,0,0,0,0,0|2,0,0]=3 200 B9R1.15 CCc1c(cccn1)O MB01433 [1,0,0,0,0,0|1,0,0]=2 201 B9R1.15 CCc1c(cncn1)F PB21906 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.15 CCc1ccncc1O MB12325 [1,0,0,0,0,0|2,0,0]=3 203 B9R1.15 CCc1cnccc1Br PB37149 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.15 CCc1cnccc1O MB24095 [1,0,0,0,0,0|2,0,0]=3 205 B9R1.15 CNc1ccncc1O MB27525 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.15 CNc1cnccc1O MB29366 [1,0,0,0,0,0|3,0,0]=4 207 B9R1.15 COc1c(cccn1)Br PB20024 [1,0,0,0,0,0|3,0,0]=4 208 B9R1.15 COc1c(cccn1)Cl AB13603 [1,0,0,0,0,0|3,0,0]=4 209 B9R1.15 COc1c(cccn1)F AB13397 [1,0,0,0,0,0|3,0,0]=4 210 B9R1.15 COc1c(cccn1)I AB13400 [1,0,0,0,0,0|3,0,0]=4 211 B9R1.15 COc1c(cccn1)N AB07386 [1,0,0,0,0,0|3,0,0]=4 212 B9R1.15 COc1c(cccn1)O AB06074 [1,0,0,0,0,0|2,0,0]=3 213 B9R1.15 COc1cccnc1O AB43293 [1,0,0,0,0,0|3,0,0]=4 214 B9R1.15 COc1ccncc1O MB09117 [1,0,0,0,0,0|3,0,0]=4 215 B9R1.15 COc1cnccc1O MB25455 [1,0,0,0,0,0|3,0,0]=4 216 B9R1.15 CSc1c(cccn1)O MB01598 [1,0,0,0,0,0|2,0,0]=3 217 B9R1.15 CSc1ccncc1O MB25632 [1,0,0,0,0,0|3,0,0]=4 218 B9R1.15 CSc1cnccc1O MB31499 [1,0,0,0,0,0|3,0,0]=4 219 B9R1.15 Cc1cccnc1CCl PB32645 [1,0,0,0,0,0|3,0,0]=4 220 B9R1.15 Cc1cccnc1CN AB20671 [1,0,0,0,0,0|3,0,0]=4 221 B9R1.15 Cc1cccnc1CO AB12590 [1,0,0,0,0,0|3,0,0]=4 222 B9R1.15 Cc1cccnc1OC AB31414 [1,0,0,0,0,0|3,0,0]=4 223 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [1,0,0,0,0,0|2,0,1]=4 224 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [1,0,0,0,0,0|3,0,0]=4 225 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [1,0,0,0,0,0|3,0,0]=4 227 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [1,0,0,0,0,0|3,0,0]=4 228 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [1,0,0,0,0,0|3,0,0]=4 229 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [1,0,0,0,0,0|3,0,0]=4 230 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [1,0,0,0,0,0|3,0,0]=4 231 B9R1.15 c1cc(c(nc1)CN)F AB55320 [1,0,0,0,0,0|3,0,0]=4 232 B9R1.15 c1cc(c(nc1)CN)F PB13118 [1,0,0,0,0,0|3,0,0]=4 233 B9R1.15 c1cc(c(nc1)CN)N AB48448 [1,0,0,0,0,0|3,0,0]=4 234 B9R1.15 c1cc(c(nc1)CN)O MB01728 [1,0,0,0,0,0|2,0,0]=3 235 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [1,0,0,0,0,0|3,0,0]=4 236 B9R1.15 c1cc(c(nc1)CO)F PB22208 [1,0,0,0,0,0|3,0,0]=4 237 B9R1.15 c1cc(c(nc1)CO)N AB31896 [1,0,0,0,0,0|3,0,0]=4 238 B9R1.15 c1cc(c(nc1)CO)O MB00702 [1,0,0,0,0,0|2,0,0]=3 239 B9R1.15 c1cc(c(nc1)O)CO AB52938 [1,0,0,0,0,0|3,0,0]=4 240 B9R1.15 c1ccc(c(c1)CI)O MB07048 [1,0,0,0,0,0|2,0,0]=3 241 B9R1.15 c1ccc(c(c1)CN)O MB01565 [1,0,0,0,0,0|2,0,0]=3 242 B9R1.15 c1cncc(c1CN)O MB09249 [1,0,0,0,0,0|3,0,0]=4 243 B9R1.15 c1cncc(c1O)CN MB35531 [1,0,0,0,0,0|3,0,0]=4 244 B11R1.8 Cc1cc(cc(c1O)OC)Br PB12607 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.13 C=CCc1cccc(c1O)N MB13698 [0,1,0,0,0,0|2,0,1]=4 246 B11R1.13 CCOc1c(c(ccn1)C)Br AB68546 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.13 Cc1c(ccnc1CCN)Cl AB83260 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.13 Cc1c(ccnc1CCN)F AB82931 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.13 Cc1ccnc(c1C)CCN AB82520 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.13 Cc1ccnc(c1Cl)CCN AB83303 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.13 c1c(c(c(cn1)Cl)O)CCN AB84034 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.13 c1cnc(c(c1CCN)O)Cl AB84113 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.13 c1cnc(c(c1Cl)F)CCN AB83139 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.13 c1cnc(c(c1Cl)N)CCN AB83872 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.13 c1cnc(c(c1Cl)O)CCN AB83986 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.13 c1cnc(c(c1F)Cl)CCN AB83008 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.13 c1cnc(c(c1N)Cl)CCN AB83929 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.13 c1cnc(c(c1O)Cl)CCN AB84057 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.159 CC(=O)c1c(c(ccn1)Br)O AB84339 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.159 CC(=O)c1c(c(ccn1)Cl)O AB75015 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.159 CC(=O)c1c(c(ccn1)N)O AB84343 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.159 CC(=O)c1cccc(c1O)Br AB43855 [0,1,0,0,0,0|2,0,1]=4 263 B11R1.159 CC(C)c1cccc(c1Br)O MB22666 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.159 CC(C)c1cccc(c1Cl)O MB22669 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.159 CC(C)c1cccc(c1F)O MB22646 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.159 CC(C)c1cccc(c1I)O MB22650 [0,1,0,0,0,0|2,0,1]=4 267 B11R1.159 CC(C)c1cccc(c1N)O MB22652 [0,1,0,0,0,0|2,0,1]=4 268 B11R1.159 CC(C)c1cccc(c1O)Br MB22674 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.159 CC(C)c1cccc(c1O)Cl MB22677 [0,1,0,0,0,0|2,0,0]=3 270 B11R1.159 CC(C)c1cccc(c1O)F MB22618 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.159 CC(C)c1cccc(c1O)I MB22620 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.159 CC(C)c1cccc(c1O)N MB06197 [0,1,0,0,0,0|2,0,0]=3 273 B11R1.159 CN(C)c1cccc(c1O)Br MB24976 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.159 CN(C)c1cccc(c1O)Cl MB24979 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.159 CN(C)c1cccc(c1O)F MB24926 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.159 CN(C)c1cccc(c1O)I MB24928 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.159 CN(C)c1cccc(c1O)N MB24934 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.159 Cc1c(cccc1O)C(C)C MB22624 [0,1,0,0,0,0|2,0,1]=4 279 B11R1.159 Cc1cccc(c1O)C(C)C MB01563 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.159 Cc1cccc(c1O)N(C)C MB23472 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.159 Cc1ccnc(c1O)C(=O)C AB84344 [0,1,0,0,0,0|2,0,1]=4 282 B11R1.265 CCc1cccc(c1C#N)O MB24031 [0,1,0,0,0,0|2,0,1]=4 283 B11R1.265 CCc1cccc(c1C=O)O MB24050 [0,1,0,0,0,0|1,0,2]=4 284 B11R1.265 CCc1cccc(c1CC)O MB24051 [0,1,0,0,0,0|2,0,1]=4 285 B11R1.265 CCc1cccc(c1CN)O MB24052 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.265 CCc1cccc(c1NC)O MB24062 [0,1,0,0,0,0|2,0,1]=4 287 B11R1.265 CCc1cccc(c1OC)O MB24065 [0,1,0,0,0,0|1,0,1]=3 288 B11R1.265 CCc1cccc(c1SC)O MB24077 [0,1,0,0,0,0|1,1,1]=4 289 B11R1.265 CNc1cccc(c1OC)O MB37522 [0,1,0,0,0,0|2,0,1]=4 290 B11R1.265 COc1c(cccc1O)CN MB27427 [0,1,0,0,0,0|2,0,1]=4 291 B11R1.267 CCc1cccc(c1O)C#N MB23994 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.267 CCc1cccc(c1O)C=O MB06560 [0,1,0,0,0,0|1,0,0]=2 293 B11R1.267 CCc1cccc(c1O)CN MB24013 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.267 CCc1cccc(c1O)NC MB24023 [0,1,0,0,0,0|2,0,0]=3 295 B11R1.267 CCc1cccc(c1O)OC MB24092 [0,1,0,0,0,0|1,0,1]=3 296 B11R1.267 CCc1cccc(c1O)SC MB24093 [0,1,0,0,0,0|1,1,0]=3 297 B11R1.267 CNc1cccc(c1O)C=O MB27331 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.267 CNc1cccc(c1O)CN MB25850 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.267 CNc1cccc(c1O)NC MB29673 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.267 CNc1cccc(c1O)OC MB37936 [0,1,0,0,0,0|2,0,1]=4 301 B11R1.267 COc1c(c(ccn1)C=O)F AB70965 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.267 COc1c(c(ccn1)C=O)N AB83587 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.267 COc1c(c(ccn1)C=O)O AB74867 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.267 COc1cccc(c1F)C=O AB14344 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.267 COc1cccc(c1N)C=O AB55845 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.267 COc1ccnc(c1O)C=O AB76798 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.267 COc1cncc(c1O)C=O AB74864 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.267 CSc1cccc(c1O)C#N MB28116 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.267 CSc1cccc(c1O)C=O MB33773 [0,1,0,0,0,0|2,0,0]=3 310 B11R1.267 CSc1cccc(c1O)CN MB32890 [0,1,0,0,0,0|2,1,0]=4 311 B11R1.267 c1c(c(c(cn1)C=O)O)CCl AB84427 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.267 c1cc(c(c(c1)C#N)O)C=O MB25669 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.267 c1cc(c(c(c1)C#N)O)CN MB25760 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.267 c1cc(c(c(c1)CN)O)CN MB25533 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.267 c1cnc(c(c1C=O)O)C=O AB84366 [0,1,0,0,0,0|2,0,1]=4 316 B11R1.267 c1cnc(c(c1CCl)O)C=O AB84610 [0,1,0,0,0,0|3,0,0]=4 317 B11R2.106 Cc1cccc2c1NCC2 MB04566 [0,0,0,1,0,0|3,0,0]=4 318 B11R2.106 c1[nH]c(=O)c2c(n1)CCC2 PB13149 [0,0,0,1,0,0|3,0,0]=4 319 B11R2.106 c1cc2c(c(c1)Br)CCC2 PB24478 [0,0,0,1,0,0|3,0,0]=4 320 B11R2.106 c1cc2c(c(c1)N)NCC2 MB05535 [0,0,0,1,0,0|3,0,0]=4 321 B11R2.106 c1cnc(c2c1CCO2)N AB52904 [0,0,0,1,0,0|3,0,0]=4 322 B11R2.106 c1cnc2c(c1Br)OCO2 AB73694 [0,0,0,1,0,0|3,0,0]=4 323 B11R2.106 c1cnc2c(c1N)OCO2 AB73704 [0,0,0,1,0,0|3,0,0]=4 324 B8R1.2 c1ccnc(c1)CBr MB02148 [2,0,0,0,0,0|2,0,0]=4 325 B8R1.2 c1ccnc(c1)CCl AB22495 [2,0,0,0,0,0|2,0,0]=4 326 B8R1.2 c1ccnc(c1)CN AB00731 [2,0,0,0,0,0|2,0,0]=4 327 B8R1.4 Cc1cc(ccn1)Br AB17599 [2,0,0,0,0,0|2,0,0]=4 328 B8R1.4 Cc1cc(ccn1)Br PB26077 [2,0,0,0,0,0|2,0,0]=4 329 B8R1.4 Cc1cc(ccn1)Cl AB01756 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.4 Cc1cc(ccn1)F AB17919 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.4 Cc1cc(ccn1)O PB24839 [2,0,0,0,0,0|1,0,1]=4 332 B8R1.5 Cc1c(cccn1)Br PB27472 [2,0,0,0,0,0|2,0,0]=4 333 B8R1.5 Cc1c(cccn1)Cl AB17903 [2,0,0,0,0,0|2,0,0]=4 334 B8R1.5 Cc1c(cccn1)F AB48604 [2,0,0,0,0,0|2,0,0]=4 335 B8R1.5 Cc1c(cccn1)N PB33695 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.5 Cc1c(cccn1)O PB18442 [2,0,0,0,0,0|1,0,0]=3 337 B8R1.5 Cc1c(nccn1)O PB12942 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.5 Cc1cccnc1O AB03538 [2,0,0,0,0,0|2,0,0]=4 339 B8R1.5 Cc1ccncc1O PB23391 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.5 c1cc(c(nc1)Br)O PB28951 [2,0,0,0,0,0|2,0,0]=4 341 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.5 c1cc(c(nc1)I)O MB00322 [2,0,0,0,0,0|2,0,0]=4 343 B8R1.5 c1cc(c(nc1)N)O AB00700 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.5 c1cc(c(nc1)N)O AB17906 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.5 c1cncc(c1Br)O AB13187 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.5 c1cncc(c1Cl)O AB12281 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.5 c1cncc(c1F)O AB64515 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.5 c1cncc(c1I)O MB06807 [2,0,0,0,0,0|2,0,0]=4 349 B10R1.8 CCc1cc(cc(c1)Br)O MB23717 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.8 CCc1cc(cc(c1)Cl)O MB23719 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.8 CCc1cc(cc(c1)F)O MB23700 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.8 CCc1cc(cc(c1)I)O MB23702 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.8 CCc1cc(cc(c1)O)N MB23659 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.10 CCOc1cc(ccn1)Br AB05209 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.10 CCOc1cc(ccn1)N AB05301 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.10 CNCc1cc(ccn1)Br AB40680 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.10 CNCc1cc(ccn1)Cl AB40676 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.10 CNCc1cc(ccn1)F AB68057 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.10 CNCc1cc(ccn1)N AB40666 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.10 Cc1ccnc(c1)CNC AB52584 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.10 c1cnc(cc1Br)CCN AB55853 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.10 c1cnc(cc1Cl)CCN AB65496 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.10 c1cnc(cc1F)CCN AB55195 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.30 CCc1cc(ccc1Br)O MB23770 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.30 CCc1cc(ccc1C)O MB23722 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.30 CCc1cc(ccc1F)O MB23754 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.30 CCc1cc(ccc1I)O MB09270 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.30 CCc1cc(ccc1N)O MB23757 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.30 CCc1cc(ccc1O)Br MB00480 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.30 CCc1cc(ccc1O)C MB23622 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.30 CCc1cc(ccc1O)Cl MB00701 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.30 CCc1cc(ccc1O)I MB23657 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.30 CCc1cc(ccc1O)N MB23663 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.113 CC(C)c1cc(ccn1)O MB11626 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.113 C[C@@H](c1cccc(c1)N)N AB29091 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.113 C[C@H](c1cccc(c1)O)N AB21156 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.172 CCc1cccc(c1)NN AB27881 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.172 COc1cc(ccn1)C=O PB32415 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.172 COc1cccc(c1)C=O AB00318 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.172 c1cnc(cc1C=O)CN AB31349 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.176 CCc1ccc(c(c1)C)O MB23862 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.176 CCc1ccc(c(c1)Cl)O MB23911 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.176 CCc1ccc(c(c1)F)O MB23895 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.176 CCc1ccc(c(c1)I)O MB23898 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.176 CCc1ccc(c(c1)N)O MB00456 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.176 CCc1ccc(c(c1)O)Br MB09100 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.176 CCc1ccc(c(c1)O)Cl MB01396 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.176 CCc1ccc(c(c1)O)F MB23840 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.176 CCc1ccc(c(c1)O)I MB23844 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.176 CCc1ccc(c(c1)O)N MB03784 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.119 Cc1ccc(c(c1O)C)O AB24905 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.119 Cc1ccc(c(c1O)Cl)N AB13339 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.245 Cc1c(c(ccn1)Cl)OC PB19448 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.245 Cc1cccc(c1CO)C AB03562 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.245 Cc1cccc(c1OC)O MB33579 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.4 CCOc1c(cccn1)Br AB05207 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.4 CCOc1c(cccn1)I AB05213 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.4 CNCc1c(cccn1)F PB12566 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.4 Cc1cccnc1CCN AB31462 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.20 COc1c(cccn1)CO PB20446 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.20 COc1cccnc1CCl AB60052 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.20 COc1cccnc1CN AB40619 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.20 COc1cccnc1CO MB05449 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.20 COc1cccnc1OC AB13430 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.20 CSc1c(cccn1)CO MB07043 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.20 c1cc(c(nc1)CN)CO AB31405 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.20 c1cc(c(nc1)CO)CO AB10176 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.25 CCc1c(cc(cn1)Br)N PB11662 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.25 CCc1ccc(cc1Br)O MB23966 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.25 CCc1ccc(cc1C)O MB23913 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.25 CCc1ccc(cc1Cl)O MB23969 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.25 CCc1ccc(cc1F)O MB14963 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.25 CCc1ccc(cc1I)O MB23946 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.25 CCc1ccc(cc1N)O MB23949 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.25 CCc1ccc(cc1O)Br MB23992 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.25 CCc1ccc(cc1O)Cl MB23993 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.25 CCc1ccc(cc1O)F MB23841 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.25 CCc1ccc(cc1O)I MB23846 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.25 CCc1ccc(cc1O)N MB23852 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.25 CNc1ccc(cc1O)Cl MB25839 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.25 CNc1ccc(cc1O)N MB33015 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.25 COc1c(cc(cn1)Br)O PB15354 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.25 COc1ccc(cc1O)Cl MB09234 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.25 COc1ccc(cc1O)I MB38179 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.25 CSc1ccc(cc1O)Br MB35434 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.25 CSc1ccc(cc1O)F MB25440 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.25 CSc1ccc(cc1O)I MB29501 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.25 CSc1ccc(cc1O)N MB36502 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.25 Cc1ccc(c(c1)O)CN MB15038 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.25 Cc1ccc(c(c1)O)NC MB33283 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.25 Cc1ccc(c(c1)O)SC MB02032 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.25 c1cc(c(cc1Br)O)CN MB08429 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.25 c1cc(c(cc1Cl)O)CN MB26819 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.25 c1cc(c(cc1F)O)CN MB14866 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.25 c1cc(c(cc1I)O)CN MB10252 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.25 c1cc(c(cc1N)O)CN MB10253 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.61 CC(C)c1c(cccn1)O MB22687 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.61 CC(C)c1ccncc1O MB22678 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.61 CC(C)c1cnccc1O MB22684 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.61 CN(C)c1c(cccn1)O MB24991 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.61 CN(C)c1ccccc1O MB08302 [1,1,0,0,0,0|2,0,0]=4 450 B12R1.25 c1cnc(c(c1Cl)O)CCCN AB83987 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.224 CC(C)Oc1cccc(c1O)Br MB04729 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.224 CC(C)Oc1cccc(c1O)Cl MB23245 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.224 CC(C)Oc1cccc(c1O)F MB23178 [0,2,0,0,0,0|2,0,0]=4 454 B12R1.224 CC(C)Oc1cccc(c1O)I MB23180 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.224 CC(C)Oc1cccc(c1O)N MB23185 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.224 Cc1cccc(c1O)OC(C)C MB23167 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.654 CCc1ccc(c(c1O)CC)O AB24908 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.87 CC(C)c1cccc(c1OC)N CB11258 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.87 CC(C)c1cccc(c1OC)O MB07580 [0,2,0,0,0,0|1,0,1]=4 460 B12R1.228 CC(C)(C)c1cccc(c1O)Br MB21859 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.228 CC(C)(C)c1cccc(c1O)Cl MB21863 [0,2,0,0,0,0|2,0,0]=4 462 B12R1.228 CC(C)(C)c1cccc(c1O)F PB18187 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.228 CC(C)(C)c1cccc(c1O)I MB21830 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.228 CC(C)(C)c1cccc(c1O)N MB21833 [0,2,0,0,0,0|2,0,0]=4 465 B12R1.440 CC(=O)c1c(c(ccn1)C=O)O AB84348 [0,2,0,0,0,0|1,0,1]=4 466 B12R1.440 CC(=O)c1ccnc(c1O)OC AB74868 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.440 CC(C)c1cccc(c1O)C#N MB22603 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.440 CC(C)c1cccc(c1O)C=O MB09057 [0,2,0,0,0,0|1,0,0]=3 469 B12R1.440 CC(C)c1cccc(c1O)CN MB29361 [0,2,0,0,0,0|2,0,0]=4 470 B12R1.440 CC(C)c1cccc(c1O)OC MB14725 [0,2,0,0,0,0|1,0,1]=4 471 B12R1.440 CCc1cccc(c1O)C(=O)N MB24004 [0,2,0,0,0,0|1,0,0]=3 472 B12R1.440 CCc1cccc(c1O)C(=O)O MB09458 [0,2,0,0,0,0|1,0,0]=3 473 B12R1.440 CCc1cccc(c1O)C(C)C MB01991 [0,2,0,0,0,0|2,0,0]=4 474 B12R1.440 CCc1cccc(c1O)N(C)C MB24019 [0,2,0,0,0,0|2,0,0]=4 475 B12R1.440 CN(C)c1cccc(c1O)C=O MB27297 [0,2,0,0,0,0|2,0,0]=4 476 B12R1.440 COc1cccc(c1O)C(=O)N MB03777 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.440 CSc1cccc(c1O)C(=O)N MB26226 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.440 CSc1cccc(c1O)C(=O)O MB25594 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.440 c1cc(c(c(c1)C(=O)N)O)CN MB28794 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.437 CCc1cccc(c1C(=O)O)O MB24048 [0,2,0,0,0,0|1,0,1]=4 481 B12R1.1879 COc1c(ccnc1CCl)C=O AB84372 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.1879 COc1c(ccnc1OC)C=O AB59873 [0,2,0,0,0,0|2,0,0]=4 483 B12R2.246 c1c(cc(c2c1CCO2)O)F AB43941 [0,1,0,1,0,0|1,0,1]=4 484 B12R2.1081 c1cc(c2c(c1)NCCO2)N MB09299 [0,1,0,1,0,0|2,0,0]=4 485 B12R2.1081 c1cc(c2c(c1)OCCO2)N PB30774 [0,1,0,1,0,0|2,0,0]=4 486 B12R2.1081 c1cc(c2c(c1)OCCO2)O MB02241 [0,1,0,1,0,0|1,0,1]=4 487 B12R2.1081 c1cc2c(c(c1)Br)OCCN2 MB06348 [0,1,0,1,0,0|2,0,0]=4 488 B12R2.1081 c1cc2c(c(c1)Cl)OCCN2 MB06343 [0,1,0,1,0,0|2,0,0]=4 489 B12R2.1081 c1cc2c(c(c1)F)OCCN2 MB06345 [0,1,0,1,0,0|2,0,0]=4 490 B12R2.1081 c1cc2c(c(c1)O)OCCN2 MB08144 [0,1,0,1,0,0|1,0,1]=4 491 B12R2.1081 c1cnc2c(c1Br)COCC2 AB73481 [0,1,0,1,0,0|2,0,0]=4 492 B12R2.1081 c1cnc2c(c1Br)OCCN2 AB77467 [0,1,0,1,0,0|2,0,0]=4 493 B12R2.1081 c1cnc2c(c1Cl)OCCN2 AB77469 [0,1,0,1,0,0|2,0,0]=4 494 B12R2.1081 c1cnc2c(c1N)COCC2 AB71964 [0,1,0,1,0,0|2,0,0]=4 495 B12R2.1081 c1cnc2c(c1O)COCC2 AB73489 [0,1,0,1,0,0|1,0,1]=4 496 B12R2.315 c1cnc2c(c1C=O)OCO2 AB73691 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.1 Cc1cc(oc1)CN PB24200 [1,0,0,0,1,0|2,0,0]=4