0 B9R1.3 Cc1c(c(ccn1)Br)Cl AB63983 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.3 Cc1c(c(ccn1)Cl)Br AB63984 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.3 Cc1c(c(ccn1)Cl)Cl AB53567 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.3 Cc1c(c(ccn1)Cl)N AB70877 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.3 Cc1c(c(ccn1)Cl)O AB71205 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.3 Cc1c(c(ccn1)F)Br AB71088 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.3 Cc1c(c(ccn1)F)N AB70905 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.3 Cc1c(c(ccn1)F)O AB71324 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.3 Cc1c(c(ccn1)N)Cl AB51074 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.3 Cc1c(c(ccn1)N)N AB55860 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.3 Cc1c(c(ccn1)O)Cl AB71193 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.3 Cc1c(c(ncn1)C)Br PB26303 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.3 Cc1c(c(ncn1)Cl)Cl AB54870 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.3 Cc1c(c(ncn1)N)Cl AB53379 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.3 Cc1c(c(ncn1)O)Br AB09553 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.3 Cc1c(c(ncn1)O)Cl AB05118 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.3 Cc1c(cccc1Br)O MB09253 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.3 Cc1c(cccc1I)O MB23347 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.3 Cc1c(ccnc1Br)Cl AB71053 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.3 Cc1c(ccnc1Br)F AB71081 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.3 Cc1c(ccnc1Cl)Br AB53555 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.3 Cc1c(ccnc1Cl)I AB13660 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.3 Cc1c(ccnc1Cl)N AB75729 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.3 Cc1c(ccnc1Cl)O AB71179 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.3 Cc1c(ccnc1F)Br AB53559 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.3 Cc1c(ccnc1F)N AB82851 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.3 Cc1c(ccnc1F)O AB71301 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.3 Cc1c(ccnc1N)Cl AB70874 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.3 Cc1c(ccnc1N)F AB70896 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.3 Cc1c(ccnc1O)Cl AB71198 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.3 Cc1c(ccnc1O)F AB71318 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.3 Cc1c(nccc1Br)C AB74548 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.3 Cc1c(nccc1Cl)C AB72126 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.3 Cc1c(nccc1N)C AB01511 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.3 Cc1c(nccc1O)C AB75493 [0,0,0,0,0,0|2,0,1]=3 35 B9R1.3 Cc1c(ncnc1Cl)C AB54898 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.3 Cc1c(ncnc1N)C AB54984 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.3 Cc1c(ncnc1O)C AB05196 [0,0,0,0,0,0|3,0,1]=4 38 B9R1.3 Cc1cccc(c1Br)O MB08359 [0,0,0,0,0,0|2,0,1]=3 39 B9R1.3 Cc1cccc(c1Cl)O MB00390 [0,0,0,0,0,0|2,0,1]=3 40 B9R1.3 Cc1cccc(c1F)N AB25121 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.3 Cc1cccc(c1I)O MB23494 [0,0,0,0,0,0|2,0,1]=3 42 B9R1.3 Cc1cccc(c1N)Br MB03160 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.3 Cc1cccc(c1N)F MB03934 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.3 Cc1cccc(c1O)F MB11516 [0,0,0,0,0,0|2,0,0]=2 45 B9R1.3 Cc1cccc(c1O)I MB23471 [0,0,0,0,0,0|2,0,0]=2 46 B9R1.3 Cc1cccc(c1O)N MB02950 [0,0,0,0,0,0|2,0,0]=2 47 B9R1.3 Cc1ccnc(c1Br)C AB53712 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.3 Cc1ccnc(c1Br)Cl PB21837 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.3 Cc1ccnc(c1Br)F AB44900 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.3 Cc1ccnc(c1C)Br AB25365 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.3 Cc1ccnc(c1C)N AB11611 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.3 Cc1ccnc(c1C)O AB66577 [0,0,0,0,0,0|3,0,1]=4 53 B9R1.3 Cc1ccnc(c1Cl)Br AB44895 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.3 Cc1ccnc(c1Cl)N AB53535 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.3 Cc1ccnc(c1Cl)O AB71192 [0,0,0,0,0,0|3,0,1]=4 56 B9R1.3 Cc1ccnc(c1N)Br AB17559 [0,0,0,0,0,0|4,0,0]=4 57 B9R1.3 Cc1ccnc(c1N)C AB43810 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.3 Cc1ccnc(c1N)Cl PB21708 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.3 Cc1ccnc(c1N)F AB17625 [0,0,0,0,0,0|4,0,0]=4 60 B9R1.3 Cc1ccnc(c1N)N PB32179 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.3 Cc1ccnc(c1O)C AB43831 [0,0,0,0,0,0|2,0,0]=2 62 B9R1.3 Cc1ccnc(c1O)Cl AB17632 [0,0,0,0,0,0|3,0,0]=3 63 B9R1.3 Cc1ccnc(c1O)F AB71297 [0,0,0,0,0,0|3,0,0]=3 64 B9R1.3 Cc1cncc(c1Br)C AB53717 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.3 Cc1cncc(c1Br)Cl AB74973 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.3 Cc1cncc(c1Br)F AB74996 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.3 Cc1cncc(c1C)Br AB64494 [0,0,0,0,0,0|4,0,0]=4 68 B9R1.3 Cc1cncc(c1C)N AB76783 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.3 Cc1cncc(c1C)O AB65620 [0,0,0,0,0,0|3,0,1]=4 70 B9R1.3 Cc1cncc(c1Cl)Br AB75732 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.3 Cc1cncc(c1Cl)C AB50483 [0,0,0,0,0,0|4,0,0]=4 72 B9R1.3 Cc1cncc(c1Cl)N AB75728 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.3 Cc1cncc(c1Cl)O AB71654 [0,0,0,0,0,0|3,0,1]=4 74 B9R1.3 Cc1cncc(c1F)Br AB74994 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.3 Cc1cncc(c1F)N AB66587 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.3 Cc1cncc(c1F)O AB82936 [0,0,0,0,0,0|3,0,1]=4 77 B9R1.3 Cc1cncc(c1N)C AB14443 [0,0,0,0,0,0|4,0,0]=4 78 B9R1.3 Cc1cncc(c1N)Cl AB44879 [0,0,0,0,0,0|4,0,0]=4 79 B9R1.3 Cc1cncc(c1N)F AB75360 [0,0,0,0,0,0|4,0,0]=4 80 B9R1.3 Cc1cncc(c1N)N AB60255 [0,0,0,0,0,0|4,0,0]=4 81 B9R1.3 Cc1cncc(c1O)C AB82550 [0,0,0,0,0,0|3,0,0]=3 82 B9R1.3 Cc1cncc(c1O)Cl AB75744 [0,0,0,0,0,0|3,0,0]=3 83 B9R1.3 Cc1cncc(c1O)F AB25961 [0,0,0,0,0,0|3,0,0]=3 84 B9R1.3 Cn1c(=O)cccc1Br MB01001 [0,0,0,0,0,0|4,0,0]=4 85 B9R1.3 Cn1cccc(c1=O)Br PB32951 [0,0,0,0,0,0|3,0,1]=4 86 B9R1.3 Cn1cccc(c1=O)N PB15071 [0,0,0,0,0,0|3,0,1]=4 87 B9R1.3 c1[nH]c(=O)c(c(n1)N)Br MB05394 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.3 c1c(c(c(cn1)Br)O)Cl AB66732 [0,0,0,0,0,0|4,0,0]=4 89 B9R1.3 c1c(c(c(cn1)Br)O)N AB48393 [0,0,0,0,0,0|4,0,0]=4 90 B9R1.3 c1c(c(c(cn1)Cl)O)Cl AB02053 [0,0,0,0,0,0|4,0,0]=4 91 B9R1.3 c1c(c(c(cn1)Cl)O)F AB66744 [0,0,0,0,0,0|4,0,0]=4 92 B9R1.3 c1c(c(c(cn1)Cl)O)N AB84022 [0,0,0,0,0,0|4,0,0]=4 93 B9R1.3 c1c(c(c(cn1)Cl)O)O AB84021 [0,0,0,0,0,0|3,0,1]=4 94 B9R1.3 c1cc(c(c(c1)Br)Br)O MB05354 [0,0,0,0,0,0|3,0,1]=4 95 B9R1.3 c1cc(c(c(c1)Br)Cl)Br CB11700 [0,0,0,0,0,0|4,0,0]=4 96 B9R1.3 c1cc(c(c(c1)Br)I)O MB05341 [0,0,0,0,0,0|3,0,1]=4 97 B9R1.3 c1cc(c(c(c1)Br)O)Cl MB08152 [0,0,0,0,0,0|3,0,0]=3 98 B9R1.3 c1cc(c(c(c1)Br)O)N AB44905 [0,0,0,0,0,0|3,0,0]=3 99 B9R1.3 c1cc(c(c(c1)Cl)Br)N MB08909 [0,0,0,0,0,0|4,0,0]=4 100 B9R1.3 c1cc(c(c(c1)Cl)Br)O MB03079 [0,0,0,0,0,0|3,0,1]=4 101 B9R1.3 c1cc(c(c(c1)Cl)I)N AB28280 [0,0,0,0,0,0|4,0,0]=4 102 B9R1.3 c1cc(c(c(c1)Cl)I)O MB05351 [0,0,0,0,0,0|3,0,1]=4 103 B9R1.3 c1cc(c(c(c1)Cl)N)N AB54530 [0,0,0,0,0,0|4,0,0]=4 104 B9R1.3 c1cc(c(c(c1)Cl)N)O MB10127 [0,0,0,0,0,0|3,0,1]=4 105 B9R1.3 c1cc(c(c(c1)F)Br)O MB03082 [0,0,0,0,0,0|3,0,1]=4 106 B9R1.3 c1cc(c(c(c1)F)Cl)N AB14054 [0,0,0,0,0,0|4,0,0]=4 107 B9R1.3 c1cc(c(c(c1)F)Cl)O MB05350 [0,0,0,0,0,0|3,0,1]=4 108 B9R1.3 c1cc(c(c(c1)F)I)O MB05358 [0,0,0,0,0,0|3,0,1]=4 109 B9R1.3 c1cc(c(c(c1)F)N)N MB00506 [0,0,0,0,0,0|4,0,0]=4 110 B9R1.3 c1cc(c(c(c1)F)O)N AB45742 [0,0,0,0,0,0|3,0,0]=3 111 B9R1.3 c1cc(c(c(c1)I)Br)F MB07001 [0,0,0,0,0,0|4,0,0]=4 112 B9R1.3 c1cc(c(c(c1)I)Br)O MB05348 [0,0,0,0,0,0|3,0,1]=4 113 B9R1.3 c1cc(c(c(c1)I)Cl)O MB05352 [0,0,0,0,0,0|3,0,1]=4 114 B9R1.3 c1cc(c(c(c1)I)F)O MB12056 [0,0,0,0,0,0|3,0,1]=4 115 B9R1.3 c1cc(c(c(c1)I)I)O MB05357 [0,0,0,0,0,0|3,0,1]=4 116 B9R1.3 c1cc(c(c(c1)I)N)O MB03004 [0,0,0,0,0,0|3,0,1]=4 117 B9R1.3 c1cc(c(c(c1)I)O)Br MB25662 [0,0,0,0,0,0|3,0,0]=3 118 B9R1.3 c1cc(c(c(c1)I)O)Cl MB14795 [0,0,0,0,0,0|3,0,0]=3 119 B9R1.3 c1cc(c(c(c1)I)O)F MB05032 [0,0,0,0,0,0|3,0,0]=3 120 B9R1.3 c1cc(c(c(c1)I)O)I MB25505 [0,0,0,0,0,0|3,0,0]=3 121 B9R1.3 c1cc(c(c(c1)I)O)N MB35855 [0,0,0,0,0,0|3,0,0]=3 122 B9R1.3 c1cc(c(c(c1)N)O)N MB01221 [0,0,0,0,0,0|3,0,0]=3 123 B9R1.3 c1cc(c(c(c1)O)Br)N MB10095 [0,0,0,0,0,0|3,0,1]=4 124 B9R1.3 c1cc(c(c(c1)O)Cl)N MB09140 [0,0,0,0,0,0|3,0,1]=4 125 B9R1.3 c1cc(c(c(c1)O)F)N MB25684 [0,0,0,0,0,0|3,0,1]=4 126 B9R1.3 c1cc(c(c(c1)O)I)N MB09919 [0,0,0,0,0,0|3,0,1]=4 127 B9R1.3 c1cnc(c(c1Br)Cl)F AB62814 [0,0,0,0,0,0|4,0,0]=4 128 B9R1.3 c1cnc(c(c1Br)Cl)N AB70625 [0,0,0,0,0,0|4,0,0]=4 129 B9R1.3 c1cnc(c(c1Br)Cl)O AB70927 [0,0,0,0,0,0|4,0,0]=4 130 B9R1.3 c1cnc(c(c1Br)F)Cl AB70923 [0,0,0,0,0,0|4,0,0]=4 131 B9R1.3 c1cnc(c(c1Br)N)Cl AB76588 [0,0,0,0,0,0|4,0,0]=4 132 B9R1.3 c1cnc(c(c1Br)N)N PB33239 [0,0,0,0,0,0|4,0,0]=4 133 B9R1.3 c1cnc(c(c1Br)O)Cl AB70925 [0,0,0,0,0,0|3,0,0]=3 134 B9R1.3 c1cnc(c(c1Cl)Br)F AB74960 [0,0,0,0,0,0|4,0,0]=4 135 B9R1.3 c1cnc(c(c1Cl)Cl)N AB44396 [0,0,0,0,0,0|4,0,0]=4 136 B9R1.3 c1cnc(c(c1Cl)Cl)O AB71282 [0,0,0,0,0,0|4,0,0]=4 137 B9R1.3 c1cnc(c(c1Cl)F)Br AB74959 [0,0,0,0,0,0|4,0,0]=4 138 B9R1.3 c1cnc(c(c1Cl)F)N AB83135 [0,0,0,0,0,0|4,0,0]=4 139 B9R1.3 c1cnc(c(c1Cl)F)O AB71156 [0,0,0,0,0,0|4,0,0]=4 140 B9R1.3 c1cnc(c(c1Cl)I)Cl CB11215 [0,0,0,0,0,0|4,0,0]=4 141 B9R1.3 c1cnc(c(c1Cl)I)N PB16074 [0,0,0,0,0,0|4,0,0]=4 142 B9R1.3 c1cnc(c(c1Cl)N)Br AB70423 [0,0,0,0,0,0|4,0,0]=4 143 B9R1.3 c1cnc(c(c1Cl)N)Cl AB51385 [0,0,0,0,0,0|4,0,0]=4 144 B9R1.3 c1cnc(c(c1Cl)N)F AB83198 [0,0,0,0,0,0|4,0,0]=4 145 B9R1.3 c1cnc(c(c1Cl)N)N PB28504 [0,0,0,0,0,0|4,0,0]=4 146 B9R1.3 c1cnc(c(c1Cl)N)O AB75026 [0,0,0,0,0,0|4,0,0]=4 147 B9R1.3 c1cnc(c(c1Cl)O)Br AB74968 [0,0,0,0,0,0|3,0,0]=3 148 B9R1.3 c1cnc(c(c1Cl)O)Cl AB70492 [0,0,0,0,0,0|3,0,0]=3 149 B9R1.3 c1cnc(c(c1Cl)O)F AB71148 [0,0,0,0,0,0|3,0,0]=3 150 B9R1.3 c1cnc(c(c1Cl)O)N AB53290 [0,0,0,0,0,0|3,0,0]=3 151 B9R1.3 c1cnc(c(c1Cl)O)O AB83983 [0,0,0,0,0,0|3,0,0]=3 152 B9R1.3 c1cnc(c(c1F)Cl)Br AB82998 [0,0,0,0,0,0|4,0,0]=4 153 B9R1.3 c1cnc(c(c1F)Cl)N AB83000 [0,0,0,0,0,0|4,0,0]=4 154 B9R1.3 c1cnc(c(c1F)Cl)O AB71146 [0,0,0,0,0,0|4,0,0]=4 155 B9R1.3 c1cnc(c(c1I)O)I MB09113 [0,0,0,0,0,0|3,0,0]=3 156 B9R1.3 c1cnc(c(c1N)Br)Cl PB34372 [0,0,0,0,0,0|4,0,0]=4 157 B9R1.3 c1cnc(c(c1N)Cl)Br AB09546 [0,0,0,0,0,0|4,0,0]=4 158 B9R1.3 c1cnc(c(c1N)Cl)Cl AB09580 [0,0,0,0,0,0|4,0,0]=4 159 B9R1.3 c1cnc(c(c1N)Cl)F AB70632 [0,0,0,0,0,0|4,0,0]=4 160 B9R1.3 c1cnc(c(c1N)Cl)N AB70628 [0,0,0,0,0,0|4,0,0]=4 161 B9R1.3 c1cnc(c(c1N)Cl)O AB51578 [0,0,0,0,0,0|4,0,0]=4 162 B9R1.3 c1cnc(c(c1N)F)Cl AB70858 [0,0,0,0,0,0|4,0,0]=4 163 B9R1.3 c1cnc(c(c1N)N)Br PB11027 [0,0,0,0,0,0|4,0,0]=4 164 B9R1.3 c1cnc(c(c1N)N)Cl PB12434 [0,0,0,0,0,0|4,0,0]=4 165 B9R1.3 c1cnc(c(c1N)N)F AB70620 [0,0,0,0,0,0|4,0,0]=4 166 B9R1.3 c1cnc(c(c1N)N)N AB52988 [0,0,0,0,0,0|4,0,0]=4 167 B9R1.3 c1cnc(c(c1N)O)Cl AB70863 [0,0,0,0,0,0|3,0,0]=3 168 B9R1.3 c1cnc(c(c1O)Cl)Br AB74964 [0,0,0,0,0,0|3,0,1]=4 169 B9R1.3 c1cnc(c(c1O)Cl)Cl AB71281 [0,0,0,0,0,0|3,0,1]=4 170 B9R1.3 c1cnc(c(c1O)Cl)F AB71141 [0,0,0,0,0,0|3,0,1]=4 171 B9R1.3 c1cnc(c(c1O)Cl)N AB74554 [0,0,0,0,0,0|3,0,1]=4 172 B9R1.3 c1cnc(c(c1O)Cl)O AB09579 [0,0,0,0,0,0|3,0,1]=4 173 B9R1.3 c1cnc(c(c1O)F)Cl AB69317 [0,0,0,0,0,0|3,0,1]=4 174 B9R1.3 c1cnc(c(c1O)N)Cl AB76250 [0,0,0,0,0,0|3,0,1]=4 175 B9R1.3 c1cnc(c(c1O)O)Cl AB70497 [0,0,0,0,0,0|2,0,1]=3 176 B8R1.4 Cc1cc(ccn1)Br AB17599 [1,0,0,0,0,0|2,0,0]=3 177 B8R1.4 Cc1cc(ccn1)Br PB26077 [1,0,0,0,0,0|2,0,0]=3 178 B8R1.4 Cc1cc(ccn1)Cl AB01756 [1,0,0,0,0,0|2,0,0]=3 179 B8R1.4 Cc1cc(ccn1)F AB17919 [1,0,0,0,0,0|2,0,0]=3 180 B8R1.4 Cc1cc(ccn1)O PB24839 [1,0,0,0,0,0|1,0,1]=3 181 B8R1.4 Cc1cc(cnc1)Br AB09597 [1,0,0,0,0,0|3,0,0]=4 182 B8R1.4 Cc1cc(cnc1)Cl AB17994 [1,0,0,0,0,0|3,0,0]=4 183 B8R1.4 Cc1cc(cnc1)F AB13643 [1,0,0,0,0,0|3,0,0]=4 184 B8R1.4 Cc1cc(cnc1)N AB17573 [1,0,0,0,0,0|3,0,0]=4 185 B8R1.4 Cc1cc(cnc1)O MB01362 [1,0,0,0,0,0|2,0,1]=4 186 B8R1.4 Cc1cc(cnn1)N MB11385 [1,0,0,0,0,0|3,0,0]=4 187 B8R1.4 Cc1cc(ncn1)C PB24534 [1,0,0,0,0,0|3,0,0]=4 188 B8R1.4 Cc1cc(ncn1)Cl PB29204 [1,0,0,0,0,0|3,0,0]=4 189 B8R1.4 Cc1cc(ncn1)N PB12118 [1,0,0,0,0,0|3,0,0]=4 190 B8R1.4 Cc1cc[nH]c(=O)n1 PB19074 [1,0,0,0,0,0|3,0,0]=4 191 B8R1.4 Cc1cccc(n1)Br AB01812 [1,0,0,0,0,0|3,0,0]=4 192 B8R1.4 Cc1cccc(n1)Cl AB00666 [1,0,0,0,0,0|3,0,0]=4 193 B8R1.4 Cc1cccc(n1)F AB01860 [1,0,0,0,0,0|3,0,0]=4 194 B8R1.4 Cc1cccc(n1)N AB00717 [1,0,0,0,0,0|3,0,0]=4 195 B8R1.4 Cc1cccc(n1)O AB00679 [1,0,0,0,0,0|2,0,1]=4 196 B8R1.4 Cc1cccc(n1)S AB25230 [1,0,0,0,0,0|2,1,0]=4 197 B8R1.4 Cc1ccnc(c1)Br AB03099 [1,0,0,0,0,0|3,0,0]=4 198 B8R1.4 Cc1ccnc(c1)Cl PB10051 [1,0,0,0,0,0|3,0,0]=4 199 B8R1.4 Cc1ccnc(c1)F AB01854 [1,0,0,0,0,0|3,0,0]=4 200 B8R1.4 Cc1ccnc(c1)N AB00703 [1,0,0,0,0,0|3,0,0]=4 201 B8R1.4 Cc1ccnc(c1)O AB03735 [1,0,0,0,0,0|2,0,1]=4 202 B8R1.4 Cc1nccc(n1)Cl PB30633 [1,0,0,0,0,0|3,0,0]=4 203 B8R1.4 Cc1nccc(n1)N AB06587 [1,0,0,0,0,0|3,0,0]=4 204 B8R1.4 c1cnc(cc1Br)Br PB10210 [1,0,0,0,0,0|3,0,0]=4 205 B8R1.4 c1cnc(cc1Br)Cl AB16617 [1,0,0,0,0,0|3,0,0]=4 206 B8R1.4 c1cnc(cc1Br)F AB17567 [1,0,0,0,0,0|3,0,0]=4 207 B8R1.4 c1cnc(cc1Br)I AB31627 [1,0,0,0,0,0|3,0,0]=4 208 B8R1.4 c1cnc(cc1Br)N PB12936 [1,0,0,0,0,0|3,0,0]=4 209 B8R1.4 c1cnc(cc1Cl)Br PB23373 [1,0,0,0,0,0|3,0,0]=4 210 B8R1.4 c1cnc(cc1Cl)Cl AB07735 [1,0,0,0,0,0|3,0,0]=4 211 B8R1.4 c1cnc(cc1Cl)F AB17564 [1,0,0,0,0,0|3,0,0]=4 212 B8R1.4 c1cnc(cc1Cl)N PB32361 [1,0,0,0,0,0|3,0,0]=4 213 B8R1.4 c1cnc(cc1Cl)O AB13188 [1,0,0,0,0,0|3,0,0]=4 214 B8R1.4 c1cnc(cc1F)Br AB50032 [1,0,0,0,0,0|3,0,0]=4 215 B8R1.4 c1cnc(cc1F)Cl AB17349 [1,0,0,0,0,0|3,0,0]=4 216 B8R1.4 c1cnc(cc1F)F PB26122 [1,0,0,0,0,0|3,0,0]=4 217 B8R1.4 c1cnc(cc1F)N AB50025 [1,0,0,0,0,0|3,0,0]=4 218 B8R1.4 c1cnc(cc1I)Br PB29229 [1,0,0,0,0,0|3,0,0]=4 219 B8R1.4 c1cnc(cc1I)Cl PB17253 [1,0,0,0,0,0|3,0,0]=4 220 B8R1.4 c1cnc(cc1I)F PB12274 [1,0,0,0,0,0|3,0,0]=4 221 B8R1.4 c1cnc(cc1I)N PB10642 [1,0,0,0,0,0|3,0,0]=4 222 B8R1.4 c1cnc(cc1N)Br PB30686 [1,0,0,0,0,0|3,0,0]=4 223 B8R1.4 c1cnc(cc1N)Cl PB24583 [1,0,0,0,0,0|3,0,0]=4 224 B8R1.4 c1cnc(cc1N)F PB21208 [1,0,0,0,0,0|3,0,0]=4 225 B8R1.4 c1cnc(cc1N)O PB15716 [1,0,0,0,0,0|3,0,0]=4 226 B8R1.4 c1cnc(cc1O)Br AB05095 [1,0,0,0,0,0|2,0,1]=4 227 B8R1.4 c1cnc(cc1O)Cl AB09576 [1,0,0,0,0,0|2,0,1]=4 228 B8R1.4 c1cnc(cc1O)F AB17930 [1,0,0,0,0,0|2,0,1]=4 229 B8R1.4 c1cnc(cc1O)I MB26582 [1,0,0,0,0,0|2,0,1]=4 230 B8R1.4 c1cnc(cc1O)N AB17934 [1,0,0,0,0,0|2,0,1]=4 231 B8R1.5 C1CC=C(C(=C1)O)Cl AB31829 [1,0,0,0,0,0|2,0,1]=4 232 B8R1.5 Cc1c(cccn1)Br PB27472 [1,0,0,0,0,0|2,0,0]=3 233 B8R1.5 Cc1c(cccn1)Cl AB17903 [1,0,0,0,0,0|2,0,0]=3 234 B8R1.5 Cc1c(cccn1)F AB48604 [1,0,0,0,0,0|2,0,0]=3 235 B8R1.5 Cc1c(cccn1)N PB33695 [1,0,0,0,0,0|2,0,0]=3 236 B8R1.5 Cc1c(cccn1)O PB18442 [1,0,0,0,0,0|1,0,0]=2 237 B8R1.5 Cc1c(ccnn1)N MB11382 [1,0,0,0,0,0|3,0,0]=4 238 B8R1.5 Cc1c(cncn1)Br PB26552 [1,0,0,0,0,0|3,0,0]=4 239 B8R1.5 Cc1c(cncn1)N PB26435 [1,0,0,0,0,0|3,0,0]=4 240 B8R1.5 Cc1c(nccn1)Br PB10597 [1,0,0,0,0,0|3,0,0]=4 241 B8R1.5 Cc1c(nccn1)Cl PB18413 [1,0,0,0,0,0|3,0,0]=4 242 B8R1.5 Cc1c(nccn1)I PB26409 [1,0,0,0,0,0|3,0,0]=4 243 B8R1.5 Cc1c(nccn1)N PB32667 [1,0,0,0,0,0|3,0,0]=4 244 B8R1.5 Cc1c(nccn1)O PB12942 [1,0,0,0,0,0|2,0,0]=3 245 B8R1.5 Cc1cccnc1Br AB05448 [1,0,0,0,0,0|3,0,0]=4 246 B8R1.5 Cc1cccnc1Cl AB05179 [1,0,0,0,0,0|3,0,0]=4 247 B8R1.5 Cc1cccnc1N AB17908 [1,0,0,0,0,0|3,0,0]=4 248 B8R1.5 Cc1cccnc1O AB03538 [1,0,0,0,0,0|2,0,0]=3 249 B8R1.5 Cc1ccncc1Br AB03104 [1,0,0,0,0,0|3,0,0]=4 250 B8R1.5 Cc1ccncc1Cl AB18019 [1,0,0,0,0,0|3,0,0]=4 251 B8R1.5 Cc1ccncc1F AB18002 [1,0,0,0,0,0|3,0,0]=4 252 B8R1.5 Cc1ccncc1N PB14127 [1,0,0,0,0,0|3,0,0]=4 253 B8R1.5 Cc1ccncc1O PB23391 [1,0,0,0,0,0|2,0,0]=3 254 B8R1.5 Cc1cnccc1Br AB20846 [1,0,0,0,0,0|3,0,0]=4 255 B8R1.5 Cc1cnccc1Br PB23248 [1,0,0,0,0,0|3,0,0]=4 256 B8R1.5 Cc1cnccc1Cl AB11511 [1,0,0,0,0,0|3,0,0]=4 257 B8R1.5 Cc1cnccc1F AB18013 [1,0,0,0,0,0|3,0,0]=4 258 B8R1.5 Cc1cnccc1N PB17234 [1,0,0,0,0,0|3,0,0]=4 259 B8R1.5 Cc1cncnc1O AB09558 [1,0,0,0,0,0|3,0,0]=4 260 B8R1.5 c1cc(c(nc1)Br)Br AB05083 [1,0,0,0,0,0|3,0,0]=4 261 B8R1.5 c1cc(c(nc1)Br)Cl AB17348 [1,0,0,0,0,0|3,0,0]=4 262 B8R1.5 c1cc(c(nc1)Br)F PB14380 [1,0,0,0,0,0|3,0,0]=4 263 B8R1.5 c1cc(c(nc1)Br)I MB06974 [1,0,0,0,0,0|3,0,0]=4 264 B8R1.5 c1cc(c(nc1)Br)N AB17900 [1,0,0,0,0,0|3,0,0]=4 265 B8R1.5 c1cc(c(nc1)Br)N PB26005 [1,0,0,0,0,0|3,0,0]=4 266 B8R1.5 c1cc(c(nc1)Br)O PB28951 [1,0,0,0,0,0|2,0,0]=3 267 B8R1.5 c1cc(c(nc1)Cl)Br PB33875 [1,0,0,0,0,0|3,0,0]=4 268 B8R1.5 c1cc(c(nc1)Cl)Cl AB00641 [1,0,0,0,0,0|3,0,0]=4 269 B8R1.5 c1cc(c(nc1)Cl)F AB13662 [1,0,0,0,0,0|3,0,0]=4 270 B8R1.5 c1cc(c(nc1)Cl)I AB06631 [1,0,0,0,0,0|3,0,0]=4 271 B8R1.5 c1cc(c(nc1)Cl)N PB23167 [1,0,0,0,0,0|3,0,0]=4 272 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [1,0,0,0,0,0|2,0,0]=3 273 B8R1.5 c1cc(c(nc1)F)I AB13652 [1,0,0,0,0,0|3,0,0]=4 274 B8R1.5 c1cc(c(nc1)F)N AB17917 [1,0,0,0,0,0|3,0,0]=4 275 B8R1.5 c1cc(c(nc1)I)Br AB45745 [1,0,0,0,0,0|3,0,0]=4 276 B8R1.5 c1cc(c(nc1)I)F AB13656 [1,0,0,0,0,0|3,0,0]=4 277 B8R1.5 c1cc(c(nc1)I)I AB25846 [1,0,0,0,0,0|3,0,0]=4 278 B8R1.5 c1cc(c(nc1)I)O MB00322 [1,0,0,0,0,0|2,0,0]=3 279 B8R1.5 c1cc(c(nc1)N)Br PB20016 [1,0,0,0,0,0|3,0,0]=4 280 B8R1.5 c1cc(c(nc1)N)Cl AB15555 [1,0,0,0,0,0|3,0,0]=4 281 B8R1.5 c1cc(c(nc1)N)F AB17912 [1,0,0,0,0,0|3,0,0]=4 282 B8R1.5 c1cc(c(nc1)N)I PB12756 [1,0,0,0,0,0|3,0,0]=4 283 B8R1.5 c1cc(c(nc1)N)O AB00700 [1,0,0,0,0,0|2,0,0]=3 284 B8R1.5 c1cc(c(nc1)N)O AB17906 [1,0,0,0,0,0|2,0,0]=3 285 B8R1.5 c1cc(c(nc1)N)S AB64540 [1,0,0,0,0,0|2,1,0]=4 286 B8R1.5 c1cc(c(nc1)O)Br PB12284 [1,0,0,0,0,0|3,0,0]=4 287 B8R1.5 c1cc(c(nc1)O)F AB13427 [1,0,0,0,0,0|3,0,0]=4 288 B8R1.5 c1cc(c(nc1)O)I AB53303 [1,0,0,0,0,0|3,0,0]=4 289 B8R1.5 c1cc(c(nc1)O)N PB30752 [1,0,0,0,0,0|3,0,0]=4 290 B8R1.5 c1cncc(c1Br)Br AB05087 [1,0,0,0,0,0|3,0,0]=4 291 B8R1.5 c1cncc(c1Br)Cl AB17643 [1,0,0,0,0,0|3,0,0]=4 292 B8R1.5 c1cncc(c1Br)F PB23387 [1,0,0,0,0,0|3,0,0]=4 293 B8R1.5 c1cncc(c1Br)N AB17638 [1,0,0,0,0,0|3,0,0]=4 294 B8R1.5 c1cncc(c1Br)O AB13187 [1,0,0,0,0,0|2,0,0]=3 295 B8R1.5 c1cncc(c1Cl)Br AB05074 [1,0,0,0,0,0|3,0,0]=4 296 B8R1.5 c1cncc(c1Cl)Cl AB10192 [1,0,0,0,0,0|3,0,0]=4 297 B8R1.5 c1cncc(c1Cl)F AB15511 [1,0,0,0,0,0|3,0,0]=4 298 B8R1.5 c1cncc(c1Cl)I AB05089 [1,0,0,0,0,0|3,0,0]=4 299 B8R1.5 c1cncc(c1Cl)N AB05299 [1,0,0,0,0,0|3,0,0]=4 300 B8R1.5 c1cncc(c1Cl)O AB12281 [1,0,0,0,0,0|2,0,0]=3 301 B8R1.5 c1cncc(c1F)Br AB17892 [1,0,0,0,0,0|3,0,0]=4 302 B8R1.5 c1cncc(c1F)Cl AB21349 [1,0,0,0,0,0|3,0,0]=4 303 B8R1.5 c1cncc(c1F)F AB18023 [1,0,0,0,0,0|3,0,0]=4 304 B8R1.5 c1cncc(c1F)N AB50028 [1,0,0,0,0,0|3,0,0]=4 305 B8R1.5 c1cncc(c1F)O AB64515 [1,0,0,0,0,0|2,0,0]=3 306 B8R1.5 c1cncc(c1I)F PB21191 [1,0,0,0,0,0|3,0,0]=4 307 B8R1.5 c1cncc(c1I)N PB23406 [1,0,0,0,0,0|3,0,0]=4 308 B8R1.5 c1cncc(c1I)O MB06807 [1,0,0,0,0,0|2,0,0]=3 309 B8R1.5 c1cncc(c1N)Br AB28611 [1,0,0,0,0,0|3,0,0]=4 310 B8R1.5 c1cncc(c1N)Cl AB16891 [1,0,0,0,0,0|3,0,0]=4 311 B8R1.5 c1cncc(c1N)F PB33879 [1,0,0,0,0,0|3,0,0]=4 312 B8R1.5 c1cncc(c1N)I AB12095 [1,0,0,0,0,0|3,0,0]=4 313 B8R1.5 c1cncc(c1O)Br AB09574 [1,0,0,0,0,0|2,0,1]=4 314 B8R1.5 c1cncc(c1O)F AB18011 [1,0,0,0,0,0|2,0,1]=4 315 B8R1.5 c1cnnc(c1Br)O AB77052 [1,0,0,0,0,0|3,0,0]=4 316 B10R1.2 CCc1cccc(c1Br)O MB24080 [0,1,0,0,0,0|2,0,1]=4 317 B10R1.2 CCc1cccc(c1C)O MB24030 [0,1,0,0,0,0|2,0,1]=4 318 B10R1.2 CCc1cccc(c1Cl)O MB24081 [0,1,0,0,0,0|2,0,1]=4 319 B10R1.2 CCc1cccc(c1F)O MB24054 [0,1,0,0,0,0|2,0,1]=4 320 B10R1.2 CCc1cccc(c1I)O MB24055 [0,1,0,0,0,0|2,0,1]=4 321 B10R1.2 CCc1cccc(c1N)O MB24059 [0,1,0,0,0,0|2,0,1]=4 322 B10R1.2 CCc1cccc(c1O)Br MB02008 [0,1,0,0,0,0|2,0,0]=3 323 B10R1.2 CCc1cccc(c1O)Cl MB02005 [0,1,0,0,0,0|2,0,0]=3 324 B10R1.2 CCc1cccc(c1O)F MB24014 [0,1,0,0,0,0|2,0,0]=3 325 B10R1.2 CCc1cccc(c1O)I MB24016 [0,1,0,0,0,0|2,0,0]=3 326 B10R1.2 CCc1cccc(c1O)N MB24022 [0,1,0,0,0,0|2,0,0]=3 327 B10R1.2 CNc1cccc(c1Br)O MB28270 [0,1,0,0,0,0|2,0,1]=4 328 B10R1.2 CNc1cccc(c1Cl)O MB26964 [0,1,0,0,0,0|2,0,1]=4 329 B10R1.2 CNc1cccc(c1F)O MB34647 [0,1,0,0,0,0|2,0,1]=4 330 B10R1.2 CNc1cccc(c1I)O MB29498 [0,1,0,0,0,0|2,0,1]=4 331 B10R1.2 CNc1cccc(c1N)O MB33054 [0,1,0,0,0,0|2,0,1]=4 332 B10R1.2 CNc1cccc(c1O)Br MB26263 [0,1,0,0,0,0|2,0,0]=3 333 B10R1.2 CNc1cccc(c1O)Cl MB33654 [0,1,0,0,0,0|2,0,0]=3 334 B10R1.2 CNc1cccc(c1O)F MB28274 [0,1,0,0,0,0|2,0,0]=3 335 B10R1.2 CNc1cccc(c1O)I MB32214 [0,1,0,0,0,0|2,0,0]=3 336 B10R1.2 CNc1cccc(c1O)N MB33525 [0,1,0,0,0,0|2,0,0]=3 337 B10R1.2 COc1c(c(ccn1)Br)F AB71080 [0,1,0,0,0,0|3,0,0]=4 338 B10R1.2 COc1c(c(ccn1)Cl)N AB71673 [0,1,0,0,0,0|3,0,0]=4 339 B10R1.2 COc1c(c(ccn1)Cl)O AB75738 [0,1,0,0,0,0|2,0,0]=3 340 B10R1.2 COc1c(c(ccn1)I)F AB71332 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.2 COc1c(c(ccn1)N)Br PB32978 [0,1,0,0,0,0|3,0,0]=4 342 B10R1.2 COc1c(c(ccn1)N)Cl AB65262 [0,1,0,0,0,0|3,0,0]=4 343 B10R1.2 COc1c(c(ccn1)N)F AB70892 [0,1,0,0,0,0|3,0,0]=4 344 B10R1.2 COc1c(c(ccn1)N)N AB56399 [0,1,0,0,0,0|3,0,0]=4 345 B10R1.2 COc1c(c(ccn1)O)Cl AB71177 [0,1,0,0,0,0|2,0,1]=4 346 B10R1.2 COc1cccc(c1Br)O MB06929 [0,1,0,0,0,0|2,0,1]=4 347 B10R1.2 COc1cccc(c1Cl)N PB11874 [0,1,0,0,0,0|3,0,0]=4 348 B10R1.2 COc1cccc(c1Cl)O MB06074 [0,1,0,0,0,0|2,0,1]=4 349 B10R1.2 COc1cccc(c1F)O MB09318 [0,1,0,0,0,0|2,0,1]=4 350 B10R1.2 COc1cccc(c1I)O MB14766 [0,1,0,0,0,0|2,0,1]=4 351 B10R1.2 COc1cccc(c1N)O MB12204 [0,1,0,0,0,0|2,0,1]=4 352 B10R1.2 COc1cccc(c1O)Br PB18847 [0,1,0,0,0,0|2,0,0]=3 353 B10R1.2 COc1cccc(c1O)Cl MB25402 [0,1,0,0,0,0|2,0,0]=3 354 B10R1.2 COc1cccc(c1O)I MB09225 [0,1,0,0,0,0|2,0,0]=3 355 B10R1.2 COc1cccc(c1O)N MB25613 [0,1,0,0,0,0|2,0,0]=3 356 B10R1.2 COc1ccnc(c1O)Cl AB71167 [0,1,0,0,0,0|2,0,1]=4 357 B10R1.2 COc1cncc(c1O)Cl AB75737 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.2 CSc1cccc(c1Br)O MB26789 [0,1,0,0,0,0|2,0,1]=4 359 B10R1.2 CSc1cccc(c1Cl)O MB33312 [0,1,0,0,0,0|2,0,1]=4 360 B10R1.2 CSc1cccc(c1F)O MB25404 [0,1,0,0,0,0|2,0,1]=4 361 B10R1.2 CSc1cccc(c1I)O MB31760 [0,1,0,0,0,0|2,0,1]=4 362 B10R1.2 CSc1cccc(c1N)O MB32351 [0,1,0,0,0,0|2,0,1]=4 363 B10R1.2 CSc1cccc(c1O)Cl MB27718 [0,1,0,0,0,0|2,0,0]=3 364 B10R1.2 CSc1cccc(c1O)F MB25614 [0,1,0,0,0,0|2,0,0]=3 365 B10R1.2 CSc1cccc(c1O)I MB28360 [0,1,0,0,0,0|2,0,0]=3 366 B10R1.2 CSc1cccc(c1O)N MB28757 [0,1,0,0,0,0|2,0,0]=3 367 B10R1.2 Cc1c(c(ccn1)C=O)Cl AB71247 [0,1,0,0,0,0|2,0,0]=3 368 B10R1.2 Cc1c(c(ccn1)C=O)N AB70908 [0,1,0,0,0,0|2,0,0]=3 369 B10R1.2 Cc1c(c(ccn1)C=O)O AB24800 [0,1,0,0,0,0|1,0,0]=2 370 B10R1.2 Cc1c(c(ccn1)CCl)Cl AB71122 [0,1,0,0,0,0|3,0,0]=4 371 B10R1.2 Cc1c(c(ccn1)CN)Cl AB75137 [0,1,0,0,0,0|3,0,0]=4 372 B10R1.2 Cc1c(cccc1O)C=O MB08410 [0,1,0,0,0,0|3,0,0]=4 373 B10R1.2 Cc1c(cccc1O)NC MB37053 [0,1,0,0,0,0|2,0,1]=4 374 B10R1.2 Cc1c(cccc1OC)O MB09432 [0,1,0,0,0,0|2,0,1]=4 375 B10R1.2 Cc1c(cccc1SC)O MB35924 [0,1,0,0,0,0|2,0,1]=4 376 B10R1.2 Cc1c(ccnc1CCl)Cl AB75387 [0,1,0,0,0,0|3,0,0]=4 377 B10R1.2 Cc1c(ccnc1CCl)F AB82925 [0,1,0,0,0,0|3,0,0]=4 378 B10R1.2 Cc1c(ccnc1CN)Br AB40727 [0,1,0,0,0,0|3,0,0]=4 379 B10R1.2 Cc1c(ccnc1CN)Cl AB40719 [0,1,0,0,0,0|3,0,0]=4 380 B10R1.2 Cc1c(ccnc1CN)F AB82928 [0,1,0,0,0,0|3,0,0]=4 381 B10R1.2 Cc1c(ccnc1CO)Br AB53756 [0,1,0,0,0,0|3,0,0]=4 382 B10R1.2 Cc1c(ccnc1Cl)C=O AB55074 [0,1,0,0,0,0|3,0,0]=4 383 B10R1.2 Cc1c(ccnc1F)C=O AB71343 [0,1,0,0,0,0|3,0,0]=4 384 B10R1.2 Cc1c(nccc1C=O)C AB62887 [0,1,0,0,0,0|2,0,0]=3 385 B10R1.2 Cc1c(nccc1CCl)C AB75402 [0,1,0,0,0,0|3,0,0]=4 386 B10R1.2 Cc1c(nccc1CN)C AB75354 [0,1,0,0,0,0|3,0,0]=4 387 B10R1.2 Cc1c(nccc1CO)C AB62891 [0,1,0,0,0,0|2,0,1]=4 388 B10R1.2 Cc1cccc(c1N)C#N MB08131 [0,1,0,0,0,0|3,0,0]=4 389 B10R1.2 Cc1cccc(c1N)CN MB08906 [0,1,0,0,0,0|3,0,0]=4 390 B10R1.2 Cc1cccc(c1N)OC AB02877 [0,1,0,0,0,0|2,0,1]=4 391 B10R1.2 Cc1cccc(c1O)C#N MB07838 [0,1,0,0,0,0|2,0,0]=3 392 B10R1.2 Cc1cccc(c1O)CN MB05058 [0,1,0,0,0,0|2,0,0]=3 393 B10R1.2 Cc1cccc(c1O)NC MB31993 [0,1,0,0,0,0|2,0,0]=3 394 B10R1.2 Cc1cccc(c1O)SC MB31066 [0,1,0,0,0,0|1,1,0]=3 395 B10R1.2 Cc1ccnc(c1Br)OC PB25008 [0,1,0,0,0,0|3,0,0]=4 396 B10R1.2 Cc1ccnc(c1C)C=O AB66597 [0,1,0,0,0,0|3,0,0]=4 397 B10R1.2 Cc1ccnc(c1C)CCl AB49318 [0,1,0,0,0,0|3,0,0]=4 398 B10R1.2 Cc1ccnc(c1C)CN AB76790 [0,1,0,0,0,0|3,0,0]=4 399 B10R1.2 Cc1ccnc(c1Cl)C=O AB44896 [0,1,0,0,0,0|3,0,0]=4 400 B10R1.2 Cc1ccnc(c1Cl)CCl AB83300 [0,1,0,0,0,0|3,0,0]=4 401 B10R1.2 Cc1ccnc(c1Cl)CN AB83302 [0,1,0,0,0,0|3,0,0]=4 402 B10R1.2 Cc1ccnc(c1N)C=O AB83759 [0,1,0,0,0,0|3,0,0]=4 403 B10R1.2 Cc1ccnc(c1O)C=O AB75246 [0,1,0,0,0,0|2,0,0]=3 404 B10R1.2 Cc1cncc(c1C)C=O AB76785 [0,1,0,0,0,0|3,0,0]=4 405 B10R1.2 Cc1cncc(c1Cl)C=O AB67499 [0,1,0,0,0,0|3,0,0]=4 406 B10R1.2 Cc1cncc(c1F)C=O AB75176 [0,1,0,0,0,0|3,0,0]=4 407 B10R1.2 Cc1cncc(c1N)C=O AB83665 [0,1,0,0,0,0|3,0,0]=4 408 B10R1.2 Cc1cncc(c1O)C=O AB75247 [0,1,0,0,0,0|2,0,0]=3 409 B10R1.2 c1c(c(c(cn1)Br)O)C=O AB84418 [0,1,0,0,0,0|3,0,0]=4 410 B10R1.2 c1c(c(c(cn1)Cl)O)C=O AB84026 [0,1,0,0,0,0|3,0,0]=4 411 B10R1.2 c1c(c(c(cn1)Cl)O)CCl AB84031 [0,1,0,0,0,0|3,0,0]=4 412 B10R1.2 c1c(c(c(cn1)Cl)O)CN AB84033 [0,1,0,0,0,0|3,0,0]=4 413 B10R1.2 c1c(c(c(cn1)N)O)C=O AB84419 [0,1,0,0,0,0|3,0,0]=4 414 B10R1.2 c1cc(c(c(c1)Br)O)C#N PB14860 [0,1,0,0,0,0|2,0,1]=4 415 B10R1.2 c1cc(c(c(c1)Br)O)C=O AB01203 [0,1,0,0,0,0|2,0,0]=3 416 B10R1.2 c1cc(c(c(c1)Br)O)CN MB05060 [0,1,0,0,0,0|2,0,0]=3 417 B10R1.2 c1cc(c(c(c1)Cl)Br)C=O MB08895 [0,1,0,0,0,0|3,0,0]=4 418 B10R1.2 c1cc(c(c(c1)Cl)F)C=O AB09379 [0,1,0,0,0,0|3,0,0]=4 419 B10R1.2 c1cc(c(c(c1)Cl)O)C#N MB08412 [0,1,0,0,0,0|2,0,1]=4 420 B10R1.2 c1cc(c(c(c1)Cl)O)C=O AB21383 [0,1,0,0,0,0|2,0,0]=3 421 B10R1.2 c1cc(c(c(c1)Cl)O)CN MB34616 [0,1,0,0,0,0|2,0,0]=3 422 B10R1.2 c1cc(c(c(c1)F)F)CCl AB13673 [0,1,0,0,0,0|3,0,0]=4 423 B10R1.2 c1cc(c(c(c1)F)O)C#N MB11932 [0,1,0,0,0,0|2,0,1]=4 424 B10R1.2 c1cc(c(c(c1)F)O)C=O AB00313 [0,1,0,0,0,0|2,0,0]=3 425 B10R1.2 c1cc(c(c(c1)F)O)CN MB05070 [0,1,0,0,0,0|2,0,0]=3 426 B10R1.2 c1cc(c(c(c1)I)O)C#N MB14863 [0,1,0,0,0,0|2,0,1]=4 427 B10R1.2 c1cc(c(c(c1)I)O)C=O MB12368 [0,1,0,0,0,0|2,0,0]=3 428 B10R1.2 c1cc(c(c(c1)I)O)CN MB29107 [0,1,0,0,0,0|2,0,0]=3 429 B10R1.2 c1cc(c(c(c1)N)F)CN AB65760 [0,1,0,0,0,0|3,0,0]=4 430 B10R1.2 c1cc(c(c(c1)N)O)C#N MB02411 [0,1,0,0,0,0|2,0,1]=4 431 B10R1.2 c1cc(c(c(c1)N)O)CN MB34782 [0,1,0,0,0,0|2,0,0]=3 432 B10R1.2 c1cc(c(c(c1)O)Br)C=O AB03304 [0,1,0,0,0,0|3,0,0]=4 433 B10R1.2 c1cc(c(c(c1)O)Br)CN MB08516 [0,1,0,0,0,0|2,0,1]=4 434 B10R1.2 c1cc(c(c(c1)O)F)C=O AB63446 [0,1,0,0,0,0|3,0,0]=4 435 B10R1.2 c1cc(c(c(c1)O)F)CN MB25461 [0,1,0,0,0,0|2,0,1]=4 436 B10R1.2 c1cc(c(c(c1)O)I)C=O MB07518 [0,1,0,0,0,0|3,0,0]=4 437 B10R1.2 c1cc(c(c(c1)O)I)CN MB34403 [0,1,0,0,0,0|2,0,1]=4 438 B10R1.2 c1cc(c(c(c1)O)N)C=O MB38000 [0,1,0,0,0,0|3,0,0]=4 439 B10R1.2 c1cc(c(c(c1)O)N)CN MB35261 [0,1,0,0,0,0|2,0,1]=4 440 B10R1.2 c1cnc(c(c1Br)O)C=O AB84603 [0,1,0,0,0,0|2,0,1]=4 441 B10R1.2 c1cnc(c(c1C=O)Cl)F AB66309 [0,1,0,0,0,0|3,0,0]=4 442 B10R1.2 c1cnc(c(c1C=O)Cl)N AB83932 [0,1,0,0,0,0|3,0,0]=4 443 B10R1.2 c1cnc(c(c1C=O)Cl)O AB70959 [0,1,0,0,0,0|3,0,0]=4 444 B10R1.2 c1cnc(c(c1C=O)F)Cl AB20966 [0,1,0,0,0,0|3,0,0]=4 445 B10R1.2 c1cnc(c(c1C=O)N)Br AB71718 [0,1,0,0,0,0|3,0,0]=4 446 B10R1.2 c1cnc(c(c1C=O)N)Cl AB71714 [0,1,0,0,0,0|3,0,0]=4 447 B10R1.2 c1cnc(c(c1C=O)N)N AB83595 [0,1,0,0,0,0|3,0,0]=4 448 B10R1.2 c1cnc(c(c1C=O)O)Br AB69695 [0,1,0,0,0,0|2,0,0]=3 449 B10R1.2 c1cnc(c(c1C=O)O)Cl AB69323 [0,1,0,0,0,0|2,0,0]=3 450 B10R1.2 c1cnc(c(c1C=O)O)N AB84363 [0,1,0,0,0,0|2,0,0]=3 451 B10R1.2 c1cnc(c(c1CCl)O)Cl AB71002 [0,1,0,0,0,0|3,0,0]=4 452 B10R1.2 c1cnc(c(c1CN)O)Cl AB76795 [0,1,0,0,0,0|3,0,0]=4 453 B10R1.2 c1cnc(c(c1Cl)F)CCl AB70769 [0,1,0,0,0,0|3,0,0]=4 454 B10R1.2 c1cnc(c(c1Cl)F)CN AB70770 [0,1,0,0,0,0|3,0,0]=4 455 B10R1.2 c1cnc(c(c1Cl)O)C=O AB75013 [0,1,0,0,0,0|2,0,1]=4 456 B10R1.2 c1cnc(c(c1Cl)O)CCl AB83984 [0,1,0,0,0,0|2,0,0]=3 457 B10R1.2 c1cnc(c(c1Cl)O)CN AB76801 [0,1,0,0,0,0|2,0,0]=3 458 B10R1.2 c1cnc(c(c1F)Cl)CCl AB83006 [0,1,0,0,0,0|3,0,0]=4 459 B10R1.2 c1cnc(c(c1F)Cl)CN AB83007 [0,1,0,0,0,0|3,0,0]=4 460 B10R1.2 c1cnc(c(c1N)Cl)CN AB83927 [0,1,0,0,0,0|3,0,0]=4 461 B10R1.2 c1cnc(c(c1N)O)C=O AB84604 [0,1,0,0,0,0|2,0,1]=4 462 B10R1.2 c1cnc(c(c1O)Cl)CCl AB84054 [0,1,0,0,0,0|2,0,1]=4 463 B10R1.2 c1cnc(c(c1O)Cl)CN AB84056 [0,1,0,0,0,0|2,0,1]=4 464 B10R1.22 Cc1cc(nc(c1C)C)Br AB82584 [0,1,0,0,0,0|3,0,0]=4 465 B10R1.22 Cc1cc(nc(c1C)C)N AB76138 [0,1,0,0,0,0|3,0,0]=4 466 B10R1.22 Cc1cc(nc(c1C)C)O AB82587 [0,1,0,0,0,0|3,0,0]=4 467 B10R1.119 Cc1c(ccc(c1Cl)Br)N CB10999 [0,1,0,0,0,0|3,0,0]=4 468 B10R1.119 Cc1c(ccc(c1F)F)Br AB42398 [0,1,0,0,0,0|3,0,0]=4 469 B10R1.119 Cc1ccc(c(c1O)C)O AB24905 [0,1,0,0,0,0|2,0,0]=3 470 B10R1.119 Cc1ccc(c(c1O)Cl)N AB13339 [0,1,0,0,0,0|2,0,0]=3 471 B10R1.245 CCc1c(cccc1O)C MB23554 [0,1,0,0,0,0|2,0,1]=4 472 B10R1.245 COc1c(cccc1Br)F AB21504 [0,1,0,0,0,0|3,0,0]=4 473 B10R1.245 COc1c(cccc1Br)O MB09199 [0,1,0,0,0,0|2,0,1]=4 474 B10R1.245 COc1c(cccc1Cl)O MB34190 [0,1,0,0,0,0|2,0,1]=4 475 B10R1.245 COc1c(cccc1F)N MB00204 [0,1,0,0,0,0|3,0,0]=4 476 B10R1.245 COc1c(cccc1I)O MB33689 [0,1,0,0,0,0|2,0,1]=4 477 B10R1.245 COc1c(cccc1O)N MB14425 [0,1,0,0,0,0|2,0,1]=4 478 B10R1.245 Cc1c(c(ccn1)Br)C=O AB66858 [0,1,0,0,0,0|2,0,1]=4 479 B10R1.245 Cc1c(c(ccn1)Cl)C=O AB66851 [0,1,0,0,0,0|2,0,1]=4 480 B10R1.245 Cc1c(c(ccn1)Cl)CCl AB83333 [0,1,0,0,0,0|3,0,0]=4 481 B10R1.245 Cc1c(c(ccn1)Cl)CN AB83336 [0,1,0,0,0,0|3,0,0]=4 482 B10R1.245 Cc1c(c(ccn1)Cl)OC PB19448 [0,1,0,0,0,0|2,0,0]=3 483 B10R1.245 Cc1c(c(ccn1)F)C=O AB68033 [0,1,0,0,0,0|2,0,1]=4 484 B10R1.245 Cc1c(c(ccn1)F)CCl AB83019 [0,1,0,0,0,0|3,0,0]=4 485 B10R1.245 Cc1c(c(ccn1)F)CN AB83020 [0,1,0,0,0,0|3,0,0]=4 486 B10R1.245 Cc1c(c(ccn1)N)C=O AB68110 [0,1,0,0,0,0|2,0,1]=4 487 B10R1.245 Cc1c(c(ccn1)O)C=O AB84477 [0,1,0,0,0,0|1,0,2]=4 488 B10R1.245 Cc1cccc(c1C#N)O MB02406 [0,1,0,0,0,0|2,0,1]=4 489 B10R1.245 Cc1cccc(c1C=O)O MB14829 [0,1,0,0,0,0|1,0,2]=4 490 B10R1.245 Cc1cccc(c1CCl)C AB08451 [0,1,0,0,0,0|3,0,0]=4 491 B10R1.245 Cc1cccc(c1CN)O MB25667 [0,1,0,0,0,0|2,0,1]=4 492 B10R1.245 Cc1cccc(c1CO)C AB03562 [0,1,0,0,0,0|2,0,0]=3 493 B10R1.245 Cc1cccc(c1OC)O MB33579 [0,1,0,0,0,0|1,0,1]=3 494 B10R1.245 Cc1cccc(c1SC)O MB08534 [0,1,0,0,0,0|1,1,1]=4 495 B10R1.245 Cc1ccnc(c1C=O)C AB63129 [0,1,0,0,0,0|2,0,1]=4 496 B10R1.245 Cc1ccnc(c1CCl)C AB75399 [0,1,0,0,0,0|3,0,0]=4 497 B10R1.245 Cc1ccnc(c1CN)C AB75357 [0,1,0,0,0,0|3,0,0]=4 498 B10R1.245 c1cc(c(c(c1)Br)CO)F AB50340 [0,1,0,0,0,0|3,0,0]=4 499 B8R1.50 Cc1c(c(on1)C)Br PB14113 [0,0,0,0,1,0|3,0,0]=4 500 B8R1.50 Cc1c(c(on1)C)I AB04361 [0,0,0,0,1,0|3,0,0]=4 501 B7R0.2 C\C(=C\C(=O)C)\OC AB70394 [1,0,1,0,0,0|0,0,2]=4 502 B7R1.3 Cc1cccnn1 PB33649 [2,0,0,0,0,0|2,0,0]=4 503 B7R1.3 Cc1ccncn1 PB17038 [2,0,0,0,0,0|2,0,0]=4 504 B7R1.3 c1c(cncn1)O PB27730 [2,0,0,0,0,0|2,0,0]=4 505 B7R1.3 c1cc(cnc1)Br AB00739 [2,0,0,0,0,0|2,0,0]=4 506 B7R1.3 c1cc(cnc1)I AB01382 [2,0,0,0,0,0|2,0,0]=4 507 B7R1.3 c1cc(cnc1)[O-] MB00567 [2,0,0,0,0,0|1,0,1]=4 508 B7R1.3 c1cc(nnc1)O PB32258 [2,0,0,0,0,0|2,0,0]=4 509 B7R1.3 c1ccnc(c1)Br AB00627 [2,0,0,0,0,0|2,0,0]=4 510 B7R1.3 c1cnc(cn1)O AB05056 [2,0,0,0,0,0|2,0,0]=4 511 B7R1.3 c1cnccc1Br AB05093 [2,0,0,0,0,0|2,0,0]=4 512 B7R1.3 c1cnccc1I AB10861 [2,0,0,0,0,0|2,0,0]=4 513 B7R1.3 c1cnccc1O PB17041 [2,0,0,0,0,0|1,0,1]=4 514 B9R1.2 CCc1cc(ccn1)Br AB63995 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.2 CCc1cc(ccn1)O MB11624 [1,1,0,0,0,0|1,0,1]=4 516 B9R1.2 CNc1cc(ccn1)Br MB07801 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.2 CNc1cc(ccn1)O MB29569 [1,1,0,0,0,0|1,0,1]=4 518 B9R1.2 CNc1cccc(c1)O MB25493 [1,1,0,0,0,0|1,0,1]=4 519 B9R1.2 COc1cc(ccn1)Br AB44876 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.2 COc1cc(ccn1)Cl AB27571 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.2 COc1cc(ccn1)F AB53299 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.2 COc1cc(ccn1)I MB06098 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.2 COc1cc(ccn1)N PB20942 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.2 COc1cc(ccn1)O MB11972 [1,1,0,0,0,0|1,0,1]=4 525 B9R1.2 CSc1[nH]c(=O)ccn1 PB24697 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.2 CSc1cc(ccn1)Br MB09718 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.2 CSc1cc(ccn1)O MB36936 [1,1,0,0,0,0|1,0,1]=4 528 B9R1.2 Cc1cc(ccn1)C#C AB66571 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.2 Cc1cc(ccn1)C=O AB24827 [1,1,0,0,0,0|1,0,0]=3 530 B9R1.2 Cc1cc(ccn1)CCl AB59910 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.2 Cc1cc(ccn1)CN AB25370 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.2 Cc1cc(cnc1)C=O PB18860 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.2 Cc1cccc(n1)C=O AB00683 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.2 Cc1ccnc(c1)CCl AB42303 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.2 Cc1ccnc(c1)CN AB23452 [1,1,0,0,0,0|2,0,0]=4 536 B9R1.2 Cc1nccc(n1)C=O AB52721 [1,1,0,0,0,0|2,0,0]=4 537 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [1,1,0,0,0,0|2,0,0]=4 538 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [1,1,0,0,0,0|1,0,1]=4 539 B9R1.2 c1cnc(cc1Br)CCl AB67964 [1,1,0,0,0,0|2,0,0]=4 540 B9R1.2 c1cnc(cc1Br)CN PB17414 [1,1,0,0,0,0|2,0,0]=4 541 B9R1.2 c1cnc(cc1Br)CO PB31388 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.2 c1cnc(cc1C=O)Br AB17326 [1,1,0,0,0,0|2,0,0]=4 543 B9R1.2 c1cnc(cc1C=O)Cl PB21899 [1,1,0,0,0,0|2,0,0]=4 544 B9R1.2 c1cnc(cc1C=O)F AB24818 [1,1,0,0,0,0|2,0,0]=4 545 B9R1.2 c1cnc(cc1Cl)CCl AB42295 [1,1,0,0,0,0|2,0,0]=4 546 B9R1.2 c1cnc(cc1Cl)CCl MB05829 [1,1,0,0,0,0|2,0,0]=4 547 B9R1.2 c1cnc(cc1Cl)CN PB27784 [1,1,0,0,0,0|2,0,0]=4 548 B9R1.2 c1cnc(cc1Cl)CO PB23493 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.2 c1cnc(cc1F)CCl AB68051 [1,1,0,0,0,0|2,0,0]=4 550 B9R1.2 c1cnc(cc1F)CN AB65162 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.2 c1cnc(cc1O)CN MB14853 [1,1,0,0,0,0|1,0,1]=4 552 B9R1.34 Cc1cc([nH]c(=O)c1)O PB33379 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.34 Cc1cc(cc(c1)Br)Cl AB45173 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.34 Cc1cc(cc(c1)Br)F AB10112 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.34 Cc1cc(cc(c1)Br)O MB06890 [1,1,0,0,0,0|1,0,1]=4 556 B9R1.34 Cc1cc(cc(c1)Cl)Cl MB00382 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.34 Cc1cc(cc(c1)Cl)F AB13848 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.34 Cc1cc(cc(c1)Cl)O MB05590 [1,1,0,0,0,0|1,0,1]=4 559 B9R1.34 Cc1cc(cc(c1)I)O MB11871 [1,1,0,0,0,0|1,0,1]=4 560 B9R1.34 Cc1cc(cc(c1)O)N MB00602 [1,1,0,0,0,0|1,0,1]=4 561 B9R1.34 Cc1cc(cc(n1)Br)Cl AB70506 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.34 Cc1cc(cc(n1)Br)F AB71085 [1,1,0,0,0,0|2,0,0]=4 563 B9R1.34 Cc1cc(cc(n1)Br)N AB65433 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.34 Cc1cc(cc(n1)C)Br AB06743 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.34 Cc1cc(cc(n1)C)Cl AB09599 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.34 Cc1cc(cc(n1)C)N AB03678 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.34 Cc1cc(cc(n1)C)O AB07775 [1,1,0,0,0,0|1,0,1]=4 568 B9R1.34 Cc1cc(cc(n1)Cl)Cl AB46092 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.34 Cc1cc(cc(n1)Cl)N AB05304 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.34 Cc1cc(cc(n1)F)Br AB71093 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.34 Cc1cc(cc(n1)N)Cl AB07298 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.34 Cc1cc(cc(n1)N)F AB70902 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.34 Cc1cc(cc(n1)O)Cl AB71203 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.34 Cc1cc(cc(n1)O)F AB71321 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.34 Cc1cc(cc(n1)O)O AB10075 [1,1,0,0,0,0|1,0,1]=4 576 B9R1.34 Cc1cc(nc(c1)Br)C AB03103 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.34 Cc1cc(nc(c1)N)C AB00706 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.34 Cc1cc(nc(c1)O)C AB07368 [1,1,0,0,0,0|2,0,0]=4 579 B9R1.69 Cc1cc(c(cn1)Br)Cl PB25215 [1,1,0,0,0,0|2,0,0]=4 580 B9R1.69 Cc1cc(c(cn1)Br)F AB74992 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.69 Cc1cc(c(cn1)Br)N PB10415 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.69 Cc1cc(c(cn1)C)Br AB05202 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.69 Cc1cc(c(cn1)C)N AB05308 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.69 Cc1cc(c(cn1)C)O AB66580 [1,1,0,0,0,0|1,0,1]=4 585 B9R1.69 Cc1cc(c(cn1)Cl)Br AB71664 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.69 Cc1cc(c(cn1)Cl)I AB71748 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.69 Cc1cc(c(cn1)Cl)N AB40682 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.69 Cc1cc(c(cn1)Cl)O AB69303 [1,1,0,0,0,0|1,0,1]=4 589 B9R1.69 Cc1cc(c(cn1)F)Br AB74121 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.69 Cc1cc(c(cn1)F)N AB70850 [1,1,0,0,0,0|2,0,0]=4 591 B9R1.69 Cc1cc(c(cn1)N)Br AB68541 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.69 Cc1cc(c(cn1)N)Cl AB64291 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.69 Cc1cc(c(cn1)N)F AB73537 [1,1,0,0,0,0|2,0,0]=4 594 B9R1.69 Cc1cc(c(cn1)N)N AB51224 [1,1,0,0,0,0|2,0,0]=4 595 B9R1.69 Cc1cc(c(cn1)O)Cl AB75747 [1,1,0,0,0,0|2,0,0]=4 596 B9R1.69 Cc1cc(c(cn1)O)F AB74750 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.69 Cc1cc(cc[n+]1[O-])Br AB70404 [1,1,0,0,0,0|2,0,0]=4 598 B9R1.69 Cc1cc(ccc1I)O MB06793 [1,1,0,0,0,0|1,0,1]=4 599 B9R1.69 Cc1cc(ncc1Br)C AB53714 [1,1,0,0,0,0|2,0,0]=4 600 B9R1.69 Cc1cc(ncc1N)C AB41994 [1,1,0,0,0,0|2,0,0]=4 601 B9R1.69 Cc1cc(ncc1O)C AB44457 [1,1,0,0,0,0|2,0,0]=4 602 B9R1.69 Cc1ccc(c(c1)Br)S AB16734 [1,1,0,0,0,0|2,0,0]=4 603 B9R1.69 Cc1ccc(c(c1)F)Br AB01835 [1,1,0,0,0,0|2,0,0]=4 604 B9R1.69 Cc1ccc(c(c1)I)O MB00839 [1,1,0,0,0,0|2,0,0]=4 605 B9R1.69 Cc1ccc(c(c1)N)Br AB09930 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.69 Cc1ccc(c(c1)O)Br MB09252 [1,1,0,0,0,0|1,0,1]=4 607 B9R1.69 Cc1ccc(c(c1)O)I MB23426 [1,1,0,0,0,0|1,0,1]=4 608 B9R1.69 Cc1ccc(c(c1)O)N AB00890 [1,1,0,0,0,0|1,0,1]=4 609 B9R1.15 CCc1c(cccn1)Br AB68544 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.15 CCc1c(cccn1)O MB01433 [1,1,0,0,0,0|1,0,0]=3 611 B9R1.15 CCc1ccncc1O MB12325 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.15 CCc1cnccc1O MB24095 [1,1,0,0,0,0|2,0,0]=4 613 B9R1.15 CNc1ccncc1O MB27525 [1,1,0,0,0,0|2,0,0]=4 614 B9R1.15 CNc1cnccc1O MB29366 [1,1,0,0,0,0|2,0,0]=4 615 B9R1.15 COc1c(cccn1)Br PB20024 [1,1,0,0,0,0|2,0,0]=4 616 B9R1.15 COc1c(cccn1)Cl AB13603 [1,1,0,0,0,0|2,0,0]=4 617 B9R1.15 COc1c(cccn1)F AB13397 [1,1,0,0,0,0|2,0,0]=4 618 B9R1.15 COc1c(cccn1)I AB13400 [1,1,0,0,0,0|2,0,0]=4 619 B9R1.15 COc1c(cccn1)N AB07386 [1,1,0,0,0,0|2,0,0]=4 620 B9R1.15 COc1c(cccn1)O AB06074 [1,1,0,0,0,0|1,0,0]=3 621 B9R1.15 COc1cccnc1Br PB29151 [1,1,0,0,0,0|2,0,0]=4 622 B9R1.15 COc1cccnc1Cl AB14749 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.15 COc1cccnc1I AB05182 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.15 COc1cccnc1N AB40614 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.15 COc1cccnc1O AB43293 [1,1,0,0,0,0|2,0,0]=4 626 B9R1.15 COc1ccncc1O MB09117 [1,1,0,0,0,0|1,0,1]=4 627 B9R1.15 COc1cnccc1Br AB43705 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.15 COc1cnccc1Br MB09674 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.15 COc1cnccc1Cl AB66368 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.15 COc1cnccc1F AB66590 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.15 COc1cnccc1N AB55709 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.15 COc1cnccc1O MB25455 [1,1,0,0,0,0|1,0,1]=4 633 B9R1.15 CSc1c(cccn1)O MB01598 [1,1,0,0,0,0|1,0,0]=3 634 B9R1.15 CSc1ccncc1O MB25632 [1,1,0,0,0,0|1,1,0]=4 635 B9R1.15 CSc1cnccc1O MB31499 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.15 Cc1c(cccn1)C#C AB66573 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.15 Cc1c(cccn1)C#N PB23449 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.15 Cc1c(cccn1)C=O PB27878 [1,1,0,0,0,0|1,0,1]=4 639 B9R1.15 Cc1c(cccn1)CBr PB19196 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.15 Cc1c(cccn1)CCl AB51469 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.15 Cc1c(cccn1)CCl PB28159 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.15 Cc1c(cccn1)CN AB14093 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.15 Cc1c(cccn1)CO AB01512 [1,1,0,0,0,0|1,0,0]=3 644 B9R1.15 Cc1c(cccn1)OC AB03569 [1,1,0,0,0,0|1,0,0]=3 645 B9R1.15 Cc1c(nccn1)CO PB22269 [1,1,0,0,0,0|2,0,0]=4 646 B9R1.15 Cc1cccnc1CCl PB32645 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.15 Cc1cccnc1CN AB20671 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.15 Cc1cccnc1CO AB12590 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.15 Cc1cccnc1OC AB31414 [1,1,0,0,0,0|2,0,0]=4 650 B9R1.15 Cc1ccncc1CO PB21746 [1,1,0,0,0,0|2,0,0]=4 651 B9R1.15 Cc1cnccc1C=O AB11481 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.15 Cc1cnccc1CO PB32359 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [1,1,0,0,0,0|1,0,1]=4 655 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [1,1,0,0,0,0|2,0,0]=4 656 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [1,1,0,0,0,0|2,0,0]=4 658 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [1,1,0,0,0,0|2,0,0]=4 659 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [1,1,0,0,0,0|2,0,0]=4 660 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.15 c1cc(c(nc1)CN)F AB55320 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.15 c1cc(c(nc1)CN)F PB13118 [1,1,0,0,0,0|2,0,0]=4 664 B9R1.15 c1cc(c(nc1)CN)N AB48448 [1,1,0,0,0,0|2,0,0]=4 665 B9R1.15 c1cc(c(nc1)CN)O MB01728 [1,1,0,0,0,0|1,0,0]=3 666 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.15 c1cc(c(nc1)CO)F PB22208 [1,1,0,0,0,0|2,0,0]=4 668 B9R1.15 c1cc(c(nc1)CO)N AB31896 [1,1,0,0,0,0|2,0,0]=4 669 B9R1.15 c1cc(c(nc1)CO)O MB00702 [1,1,0,0,0,0|1,0,0]=3 670 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [1,1,0,0,0,0|2,0,0]=4 671 B9R1.15 c1cc(c(nc1)N)CO PB32383 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [1,1,0,0,0,0|2,0,0]=4 673 B9R1.15 c1cc(c(nc1)O)CO AB52938 [1,1,0,0,0,0|2,0,0]=4 674 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [1,1,0,0,0,0|2,0,0]=4 675 B9R1.15 c1ccc(c(c1)CI)O MB07048 [1,1,0,0,0,0|1,0,0]=3 676 B9R1.15 c1ccc(c(c1)CN)O MB01565 [1,1,0,0,0,0|1,0,0]=3 677 B9R1.15 c1cncc(c1C#N)O MB12322 [1,1,0,0,0,0|2,0,0]=4 678 B9R1.15 c1cncc(c1C=O)Br PB17335 [1,1,0,0,0,0|2,0,0]=4 679 B9R1.15 c1cncc(c1C=O)Cl AB23043 [1,1,0,0,0,0|2,0,0]=4 680 B9R1.15 c1cncc(c1C=O)F PB32422 [1,1,0,0,0,0|2,0,0]=4 681 B9R1.15 c1cncc(c1C=O)N PB20170 [1,1,0,0,0,0|2,0,0]=4 682 B9R1.15 c1cncc(c1C=O)O AB08714 [1,1,0,0,0,0|1,0,0]=3 683 B9R1.15 c1cncc(c1CN)O MB09249 [1,1,0,0,0,0|2,0,0]=4 684 B9R1.15 c1cncc(c1N)CO PB14435 [1,1,0,0,0,0|2,0,0]=4 685 B9R1.15 c1cncc(c1O)C=O AB59870 [1,1,0,0,0,0|2,0,0]=4 686 B9R1.15 c1cncc(c1O)CN MB35531 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.37 CC1C(=C(C(=O)O1)O)O CB11384 [0,1,0,0,1,0|0,0,2]=4 688 B11R1.8 Cc1cc(cc(c1O)OC)Br PB12607 [0,2,0,0,0,0|1,0,1]=4 689 B11R1.8 c1c(cc(c(c1C=O)O)Br)Br CB10011 [0,2,0,0,0,0|2,0,0]=4 690 B11R1.8 c1c(cc(c(c1C=O)O)F)Br AB16030 [0,2,0,0,0,0|2,0,0]=4 691 B11R1.13 C=CCc1cccc(c1O)N MB13698 [0,2,0,0,0,0|2,0,0]=4 692 B11R1.13 c1cnc(c(c1Cl)O)CCN AB83986 [0,2,0,0,0,0|2,0,0]=4 693 B11R1.72 c1cc(c(c(c1F)C=O)O)F CB11113 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.159 B(c1cccc(c1O)C)(O)O AB48273 [0,2,0,0,0,0|1,0,1]=4 695 B11R1.159 CC(=O)c1c(c(ccn1)Br)O AB84339 [0,2,0,0,0,0|2,0,0]=4 696 B11R1.159 CC(=O)c1c(c(ccn1)Cl)O AB75015 [0,2,0,0,0,0|2,0,0]=4 697 B11R1.159 CC(=O)c1c(c(ccn1)N)O AB84343 [0,2,0,0,0,0|2,0,0]=4 698 B11R1.159 CC(=O)c1cccc(c1O)Br AB43855 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.159 CC(=O)c1ccnc(c1O)Br AB84119 [0,2,0,0,0,0|2,0,0]=4 700 B11R1.159 CC(=O)c1ccnc(c1O)Cl AB74852 [0,2,0,0,0,0|2,0,0]=4 701 B11R1.159 CC(=O)c1ccnc(c1O)N AB84121 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.159 CC(C)c1cccc(c1O)Br MB22674 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.159 CC(C)c1cccc(c1O)Cl MB22677 [0,2,0,0,0,0|2,0,0]=4 704 B11R1.159 CC(C)c1cccc(c1O)F MB22618 [0,2,0,0,0,0|2,0,0]=4 705 B11R1.159 CC(C)c1cccc(c1O)I MB22620 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.159 CC(C)c1cccc(c1O)N MB06197 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.159 CN(C)c1cccc(c1O)Br MB24976 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.159 CN(C)c1cccc(c1O)Cl MB24979 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.159 CN(C)c1cccc(c1O)F MB24926 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.159 CN(C)c1cccc(c1O)I MB24928 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.159 CN(C)c1cccc(c1O)N MB24934 [0,2,0,0,0,0|2,0,0]=4 712 B11R1.159 Cc1c(c(ccn1)C(=O)C)Br AB41128 [0,2,0,0,0,0|2,0,0]=4 713 B11R1.159 Cc1c(c(ccn1)C(=O)C)Cl AB83308 [0,2,0,0,0,0|2,0,0]=4 714 B11R1.159 Cc1c(c(ccn1)C(=O)C)N AB41124 [0,2,0,0,0,0|2,0,0]=4 715 B11R1.159 Cc1c(c(ccn1)C(=O)C)O AB75262 [0,2,0,0,0,0|1,0,0]=3 716 B11R1.159 Cc1c(c(ccn1)C(=O)O)Cl AB71251 [0,2,0,0,0,0|2,0,0]=4 717 B11R1.159 Cc1c(c(ccn1)C(=O)O)N AB70614 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.159 Cc1c(nccc1C(=O)C)C AB55628 [0,2,0,0,0,0|2,0,0]=4 719 B11R1.159 Cc1c(nccc1C(=O)O)C AB63167 [0,2,0,0,0,0|2,0,0]=4 720 B11R1.159 Cc1c(nccc1[N+](=O)[O-])C AB20918 [0,2,0,0,0,0|2,0,0]=4 721 B11R1.159 Cc1cccc(c1F)[N+](=O)[O-] AB14386 [0,2,0,0,0,0|2,0,0]=4 722 B11R1.159 Cc1cccc(c1N)C(=O)O AB00891 [0,2,0,0,0,0|2,0,0]=4 723 B11R1.159 Cc1cccc(c1O)C(=O)N MB01077 [0,2,0,0,0,0|1,0,0]=3 724 B11R1.159 Cc1cccc(c1O)C(C)C MB01563 [0,2,0,0,0,0|2,0,0]=4 725 B11R1.159 Cc1cccc(c1O)N(C)C MB23472 [0,2,0,0,0,0|2,0,0]=4 726 B11R1.159 Cc1ccnc(c1O)C(=O)C AB84344 [0,2,0,0,0,0|2,0,0]=4 727 B11R1.159 Cc1cncc(c1O)C(=O)C AB84183 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)N MB00430 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)N MB08413 [0,2,0,0,0,0|2,0,0]=4 730 B11R1.159 c1cc(c(c(c1)F)O)C(=O)N MB25617 [0,2,0,0,0,0|2,0,0]=4 731 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O AB04085 [0,2,0,0,0,0|2,0,0]=4 732 B11R1.159 c1cc(c(c(c1)I)O)C(=O)N MB33272 [0,2,0,0,0,0|2,0,0]=4 733 B11R1.159 c1cc(c(c(c1)I)O)C(=O)O MB25549 [0,2,0,0,0,0|2,0,0]=4 734 B11R1.159 c1cc(c(c(c1)N)O)C(=O)N MB25600 [0,2,0,0,0,0|2,0,0]=4 735 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O AB01026 [0,2,0,0,0,0|2,0,0]=4 736 B11R1.159 c1cc(c(c(c1)[N+](=O)[O-])O)N AB12699 [0,2,0,0,0,0|2,0,0]=4 737 B11R1.159 c1cnc(c(c1C(=O)O)O)Br AB69694 [0,2,0,0,0,0|2,0,0]=4 738 B11R1.159 c1cnc(c(c1C(=O)O)O)Cl AB14198 [0,2,0,0,0,0|2,0,0]=4 739 B11R1.265 CCc1cccc(c1OC)O MB24065 [0,2,0,0,0,0|1,0,1]=4 740 B11R1.265 CNc1cccc(c1OC)O MB37522 [0,2,0,0,0,0|1,0,1]=4 741 B11R1.265 COc1c(cccc1O)C=O MB03871 [0,2,0,0,0,0|2,0,0]=4 742 B11R1.265 COc1c(cccc1O)CN MB27427 [0,2,0,0,0,0|1,0,1]=4 743 B11R1.267 CCc1cccc(c1O)C#N MB23994 [0,2,0,0,0,0|2,0,0]=4 744 B11R1.267 CCc1cccc(c1O)C=O MB06560 [0,2,0,0,0,0|1,0,0]=3 745 B11R1.267 CCc1cccc(c1O)CN MB24013 [0,2,0,0,0,0|2,0,0]=4 746 B11R1.267 CCc1cccc(c1O)NC MB24023 [0,2,0,0,0,0|2,0,0]=4 747 B11R1.267 CCc1cccc(c1O)OC MB24092 [0,2,0,0,0,0|1,0,1]=4 748 B11R1.267 CCc1cccc(c1O)SC MB24093 [0,2,0,0,0,0|1,1,0]=4 749 B11R1.267 CNc1cccc(c1O)C=O MB27331 [0,2,0,0,0,0|1,0,0]=3 750 B11R1.267 CNc1cccc(c1O)CN MB25850 [0,2,0,0,0,0|2,0,0]=4 751 B11R1.267 CNc1cccc(c1O)NC MB29673 [0,2,0,0,0,0|2,0,0]=4 752 B11R1.267 CNc1cccc(c1O)OC MB37936 [0,2,0,0,0,0|1,0,1]=4 753 B11R1.267 COc1c(c(ccn1)C=O)F AB70965 [0,2,0,0,0,0|2,0,0]=4 754 B11R1.267 COc1c(c(ccn1)C=O)N AB83587 [0,2,0,0,0,0|2,0,0]=4 755 B11R1.267 COc1c(c(ccn1)C=O)O AB74867 [0,2,0,0,0,0|1,0,0]=3 756 B11R1.267 COc1cccc(c1F)C=O AB14344 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.267 COc1cccc(c1N)C=O AB55845 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.267 COc1ccnc(c1O)C=O AB76798 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.267 COc1cncc(c1O)C=O AB74864 [0,2,0,0,0,0|2,0,0]=4 760 B11R1.267 CSc1cccc(c1O)C#N MB28116 [0,2,0,0,0,0|2,0,0]=4 761 B11R1.267 CSc1cccc(c1O)C=O MB33773 [0,2,0,0,0,0|1,0,0]=3 762 B11R1.267 CSc1cccc(c1O)CN MB32890 [0,2,0,0,0,0|1,1,0]=4 763 B11R1.267 c1c(c(c(cn1)C=O)O)CCl AB84427 [0,2,0,0,0,0|2,0,0]=4 764 B11R1.267 c1cc(c(c(c1)C#N)O)C=O MB25669 [0,2,0,0,0,0|1,0,1]=4 765 B11R1.267 c1cc(c(c(c1)C#N)O)CN MB25760 [0,2,0,0,0,0|2,0,0]=4 766 B11R1.267 c1cc(c(c(c1)CN)O)CN MB25533 [0,2,0,0,0,0|2,0,0]=4 767 B11R1.267 c1cnc(c(c1C=O)O)C=O AB84366 [0,2,0,0,0,0|1,0,1]=4 768 B11R1.267 c1cnc(c(c1CCl)O)C=O AB84610 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.14 Cc1cc(cc(c1O)C)C#N PB30622 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.14 Cc1cc(cc(c1O)Cl)C#N PB11866 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.464 Cc1c(c(cc(n1)Cl)Cl)OC PB29876 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.156 B(c1c(cccc1C)C)(O)O AB07956 [0,2,0,0,0,0|2,0,0]=4 773 B11R1.156 B(c1c(ccnc1C)C)(O)O AB41956 [0,2,0,0,0,0|2,0,0]=4 774 B11R1.156 B(c1c(nccc1Cl)C)(O)O AB75126 [0,2,0,0,0,0|2,0,0]=4 775 B11R1.156 B(c1c(nccc1F)C)(O)O AB83015 [0,2,0,0,0,0|2,0,0]=4 776 B11R1.156 Cc1c(c(ccn1)Br)C(=O)O AB66865 [0,2,0,0,0,0|2,0,0]=4 777 B11R1.156 Cc1c(c(ccn1)Cl)C(=O)O AB49266 [0,2,0,0,0,0|2,0,0]=4 778 B11R1.156 Cc1c(c(ccn1)F)C(=O)O AB66874 [0,2,0,0,0,0|2,0,0]=4 779 B11R1.156 Cc1c(c(ccn1)O)C(=O)O AB66885 [0,2,0,0,0,0|1,0,1]=4 780 B11R1.156 Cc1cccc(c1C(=O)O)O MB01720 [0,2,0,0,0,0|1,0,1]=4 781 B11R1.156 Cc1ccnc(c1C(=O)O)C AB13832 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.156 Cc1ccnc(c1C(=O)O)C AB21009 [0,2,0,0,0,0|2,0,0]=4 783 B9R1.41 Cc1c(ocn1)C(=O)O MB01897 [0,0,1,1,0,0|2,0,0]=4 784 B9R1.41 Cc1ccoc1C(=O)O AB01137 [0,0,1,1,0,0|2,0,0]=4 785 B9R1.41 c1coc(c1Br)C(=O)O AB03324 [0,0,1,1,0,0|2,0,0]=4 786 B9R1.41 c1coc(c1I)C(=O)O AB85068 [0,0,1,1,0,0|2,0,0]=4 787 B9R1.11 c1cc(oc1)C(=O)C=O AB04785 [0,0,1,1,0,0|0,0,2]=4 788 B9R1.11 c1cc(oc1)C(=O)C=O AB49990 [0,0,1,1,0,0|0,0,2]=4 789 B9R1.22 Cc1c(oc(n1)C)C=O AB27656 [0,0,1,1,0,0|1,0,1]=4 790 B9R1.22 Cc1c(oc(n1)Cl)C=O AB71590 [0,0,1,1,0,0|2,0,0]=4 791 B9R1.1 Cc1ccc(cn1)C=O PB17503 [0,0,1,1,0,0|2,0,0]=4 792 B9R1.1 Cc1ccc(nc1)C=O AB31466 [0,0,1,1,0,0|2,0,0]=4 793 B9R1.1 Cc1cnc(cn1)C=O PB23818 [0,0,1,1,0,0|2,0,0]=4 794 B9R1.21 c1c(nc(o1)C=O)C=O AB71575 [0,0,1,1,0,0|1,0,1]=4 795 B11R2.106 Cc1cccc2c1occ2 MB00742 [0,1,0,1,0,0|2,0,0]=4 796 B11R2.106 c1cnc2c(c1Br)OCO2 AB73694 [0,1,0,1,0,0|2,0,0]=4 797 B11R2.106 c1cnc2c(c1N)OCO2 AB73704 [0,1,0,1,0,0|2,0,0]=4 798 B7R1.2 CC1=NC(=O)N=C1 AB05017 [1,0,0,0,1,0|2,0,0]=4 799 B7R1.2 Cc1cc(cs1)Br AB20690 [1,0,0,0,1,0|1,1,0]=4 800 B7R1.2 Cc1cc(no1)N PB28932 [1,0,0,0,1,0|2,0,0]=4 801 B7R1.2 Cc1cc(sc1)C CB10250 [1,0,0,0,1,0|1,1,0]=4 802 B7R1.2 Cc1ccc(o1)Br AB64979 [1,0,0,0,1,0|2,0,0]=4 803 B7R1.2 Cc1nc(co1)N MB11373 [1,0,0,0,1,0|2,0,0]=4 804 B7R1.2 Cn1ccc(c1)Br AB63663 [1,0,0,0,1,0|2,0,0]=4 805 B7R1.4 Cc1c(cco1)N AB71442 [1,0,0,0,1,0|1,0,0]=3 806 B7R1.4 Cc1c(cno1)N MB10128 [1,0,0,0,1,0|2,0,0]=4 807 B7R1.4 Cc1c(nco1)N MB11380 [1,0,0,0,1,0|2,0,0]=4 808 B7R1.4 Cc1c(ocn1)C AB63543 [1,0,0,0,1,0|2,0,0]=4 809 B7R1.4 c1coc(c1N)Br AB71394 [1,0,0,0,1,0|2,0,0]=4