0 B9R1.69 C1=C(C=NC(=O)C1Cl)Br BC219130 [0,0,0,0,0,0|1,1,2]=4 1 B9R1.69 Cc1c(cc(cn1)Br)Cl BC216612 [0,0,0,0,0,0|2,1,1]=4 2 B9R1.69 Cc1c(cc(cn1)Br)N BC216613 [0,0,0,0,0,0|2,1,1]=4 3 B9R1.69 Cc1c(ccc(n1)Cl)F BC219165 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 Cc1c(ccc(n1)Cl)F BC677936 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.69 Cc1c(ccc(n1)Cl)N BC219100 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 Cc1c(ccc(n1)Cl)O BC240165 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.69 Cc1cc(c(nc1)Br)Br BC219171 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.69 Cc1cc(c(nc1)Br)Cl BC228752 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.69 Cc1cc(c(nc1)Cl)Br BC219126 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.69 Cc1cc(c(nc1)F)Br BC219140 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.69 Cc1cc(c(nc1)F)Cl BC677133 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.69 Cc1cc(c(nc1)F)I BC219175 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.69 Cc1cc(c(nc1)N)O BC228725 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.69 Cc1cc(ccc1Br)O BC207712 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.69 Cc1cc(ccc1Cl)Cl BC207920 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.69 Cc1cc(ccc1Cl)O BC207565 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.69 Cc1cc(ccc1F)Br BC207178 [0,0,0,0,0,0|3,1,0]=4 18 B9R1.69 Cc1cc(ccc1I)O BC211956 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.69 Cc1cc(ccc1N)I BC220172 [0,0,0,0,0,0|3,1,0]=4 20 B9R1.69 Cc1cc(ccc1N)N BC203474 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.69 Cc1cc(ccc1N)O BC649929 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.69 Cc1cc(ccc1O)O BC201519 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.69 Cc1cc(ccc1O)S BC220806 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.69 Cc1cc(cnc1Br)Cl BC219125 [0,0,0,0,0,0|2,0,1]=3 25 B9R1.69 Cc1cc(cnc1Br)I BC228774 [0,0,0,0,0,0|2,1,1]=4 26 B9R1.69 Cc1cc(cnc1Br)N BC227027 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.69 Cc1cc(cnc1Br)O BC228773 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.69 Cc1cc(cnc1Cl)Br BC204485 [0,0,0,0,0,0|2,1,1]=4 29 B9R1.69 Cc1cc(cnc1Cl)F BC219162 [0,0,0,0,0,0|2,1,1]=4 30 B9R1.69 Cc1cc(cnc1Cl)N BC219101 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.69 Cc1cc(cnc1F)Br BC219142 [0,0,0,0,0,0|2,1,1]=4 32 B9R1.69 Cc1cc(cnc1F)Cl BC219163 [0,0,0,0,0,0|2,0,1]=3 33 B9R1.69 Cc1cc(cnc1F)N BC219108 [0,0,0,0,0,0|3,0,1]=4 34 B9R1.69 Cc1cc(cnc1N)Br BC226638 [0,0,0,0,0,0|2,1,1]=4 35 B9R1.69 Cc1cc(cnc1N)N BC227178 [0,0,0,0,0,0|3,0,1]=4 36 B9R1.69 Cc1cc(nnc1Cl)Cl BC222083 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.69 Cc1ccc(c(c1)Br)C BC202051 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.69 Cc1ccc(c(c1)Br)O BC228036 [0,0,0,0,0,0|3,0,1]=4 39 B9R1.69 Cc1ccc(c(c1)C)S BC685862 [0,0,0,0,0,0|3,1,0]=4 40 B9R1.69 Cc1ccc(c(c1)N)F BC207170 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.69 Cc1ccc(c(c1)N)I BC680398 [0,0,0,0,0,0|4,0,0]=4 42 B9R1.69 Cc1ccc(c(c1)O)O BC204625 [0,0,0,0,0,0|2,0,1]=3 43 B9R1.69 Cc1ccc(c(n1)O)Br BC208734 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.69 Cc1ccc(cc1C)Br BC201497 [0,0,0,0,0,0|3,1,0]=4 45 B9R1.69 Cc1ccc(cc1F)Br BC227411 [0,0,0,0,0,0|3,1,0]=4 46 B9R1.69 Cc1ccc(cc1N)Br BC211655 [0,0,0,0,0,0|3,1,0]=4 47 B9R1.69 Cc1ccc(cc1N)F BC207142 [0,0,0,0,0,0|3,1,0]=4 48 B9R1.69 Cc1ccc(cc1O)Cl BC683431 [0,0,0,0,0,0|2,0,0]=2 49 B9R1.69 Cc1cnc(cc1Cl)Cl BC227174 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.69 c1c(c(cnc1Cl)Br)Cl BC244898 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.69 c1c(c(cnc1Cl)F)Br BC227054 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.69 c1c(c(cnc1Cl)F)I BC228801 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.69 c1c(c(cnc1Cl)N)I BC637063 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.69 c1c(c(cnc1Cl)N)N BC229038 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.69 c1c(c(cnc1O)Cl)O BC209060 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.69 c1c(cnc(c1Br)Cl)Cl BC219132 [0,0,0,0,0,0|2,0,1]=3 57 B9R1.69 c1c(cnc(c1Br)Cl)F BC253402 [0,0,0,0,0,0|2,1,1]=4 58 B9R1.69 c1c(cnc(c1Br)Cl)O BC228782 [0,0,0,0,0,0|3,0,1]=4 59 B9R1.69 c1c(cnc(c1Br)F)Cl BC219120 [0,0,0,0,0,0|2,0,1]=3 60 B9R1.69 c1c(cnc(c1Br)F)O BC228820 [0,0,0,0,0,0|3,0,1]=4 61 B9R1.69 c1c(cnc(c1Br)I)Br BC228860 [0,0,0,0,0,0|2,1,1]=4 62 B9R1.69 c1c(cnc(c1Br)N)Cl BC219091 [0,0,0,0,0,0|2,0,1]=3 63 B9R1.69 c1c(cnc(c1Br)N)F BC219093 [0,0,0,0,0,0|2,1,1]=4 64 B9R1.69 c1c(cnc(c1Br)O)F BC219134 [0,0,0,0,0,0|1,1,2]=4 65 B9R1.69 c1c(cnc(c1Cl)Br)Cl BC208803 [0,0,0,0,0,0|2,0,1]=3 66 B9R1.69 c1c(cnc(c1Cl)Br)O BC228750 [0,0,0,0,0,0|3,0,1]=4 67 B9R1.69 c1c(cnc(c1Cl)Cl)Br BC227034 [0,0,0,0,0,0|2,1,1]=4 68 B9R1.69 c1c(cnc(c1Cl)Cl)Cl BC204270 [0,0,0,0,0,0|2,0,1]=3 69 B9R1.69 c1c(cnc(c1Cl)Cl)N BC227051 [0,0,0,0,0,0|3,0,1]=4 70 B9R1.69 c1c(cnc(c1Cl)Cl)O BC227155 [0,0,0,0,0,0|3,0,1]=4 71 B9R1.69 c1c(cnc(c1Cl)N)O BC228700 [0,0,0,0,0,0|3,0,1]=4 72 B9R1.69 c1c(cnc(c1F)Br)F BC668600 [0,0,0,0,0,0|2,1,1]=4 73 B9R1.69 c1c(cnc(c1F)Cl)Br BC219121 [0,0,0,0,0,0|2,1,1]=4 74 B9R1.69 c1c(cnc(c1F)Cl)O BC228788 [0,0,0,0,0,0|3,0,1]=4 75 B9R1.69 c1c(cnc(c1F)F)Br BC227059 [0,0,0,0,0,0|2,1,1]=4 76 B9R1.69 c1c(cnc(c1F)F)F BC227023 [0,0,0,0,0,0|2,1,1]=4 77 B9R1.69 c1c(cnc(c1F)N)Br BC236256 [0,0,0,0,0,0|2,1,1]=4 78 B9R1.69 c1c(cnc(c1F)O)Br BC226863 [0,0,0,0,0,0|1,1,2]=4 79 B9R1.69 c1c(cnc(c1I)N)Br BC220342 [0,0,0,0,0,0|2,1,1]=4 80 B9R1.69 c1c(cnc(c1N)Br)F BC219094 [0,0,0,0,0,0|2,1,1]=4 81 B9R1.69 c1c(cnc(c1N)N)Cl BC227147 [0,0,0,0,0,0|2,0,1]=3 82 B9R1.69 c1c(cnc(c1N)N)F BC227148 [0,0,0,0,0,0|2,1,1]=4 83 B9R1.69 c1c(cnc(c1O)Cl)Br BC256298 [0,0,0,0,0,0|1,1,1]=3 84 B9R1.69 c1c(cnc(c1O)N)Br BC658447 [0,0,0,0,0,0|1,1,1]=3 85 B9R1.69 c1c(cnc(c1O)N)F BC228724 [0,0,0,0,0,0|1,1,1]=3 86 B9R1.69 c1c(nc(c(n1)Br)N)Cl BC268248 [0,0,0,0,0,0|3,0,1]=4 87 B9R1.69 c1cc(c(cc1Br)Cl)F BC203452 [0,0,0,0,0,0|3,1,0]=4 88 B9R1.69 c1cc(c(cc1Br)F)F BC226440 [0,0,0,0,0,0|3,1,0]=4 89 B9R1.69 c1cc(c(cc1Br)F)O BC200633 [0,0,0,0,0,0|2,1,1]=4 90 B9R1.69 c1cc(c(cc1Br)N)N BC222419 [0,0,0,0,0,0|3,1,0]=4 91 B9R1.69 c1cc(c(cc1Br)N)O BC216412 [0,0,0,0,0,0|2,1,1]=4 92 B9R1.69 c1cc(c(cc1Br)O)Cl BC680561 [0,0,0,0,0,0|2,1,0]=3 93 B9R1.69 c1cc(c(cc1Cl)Cl)F BC675767 [0,0,0,0,0,0|3,0,0]=3 94 B9R1.69 c1cc(c(cc1Cl)Cl)O BC683159 [0,0,0,0,0,0|2,0,1]=3 95 B9R1.69 c1cc(c(cc1Cl)Cl)S BC646085 [0,0,0,0,0,0|2,1,0]=3 96 B9R1.69 c1cc(c(cc1Cl)I)N BC227783 [0,0,0,0,0,0|3,0,0]=3 97 B9R1.69 c1cc(c(cc1Cl)N)Br BC645243 [0,0,0,0,0,0|3,0,0]=3 98 B9R1.69 c1cc(c(cc1Cl)N)N BC222890 [0,0,0,0,0,0|3,0,0]=3 99 B9R1.69 c1cc(c(cc1F)Br)F BC203460 [0,0,0,0,0,0|3,1,0]=4 100 B9R1.69 c1cc(c(cc1F)Br)O BC210241 [0,0,0,0,0,0|2,1,1]=4 101 B9R1.69 c1cc(c(cc1F)Cl)N BC209668 [0,0,0,0,0,0|3,1,0]=4 102 B9R1.69 c1cc(c(cc1F)Cl)O BC207122 [0,0,0,0,0,0|2,1,1]=4 103 B9R1.69 c1cc(c(cc1F)I)Cl BC675821 [0,0,0,0,0,0|3,1,0]=4 104 B9R1.69 c1cc(c(cc1F)N)F BC226439 [0,0,0,0,0,0|3,1,0]=4 105 B9R1.69 c1cc(c(cc1F)O)Br BC210242 [0,0,0,0,0,0|2,1,0]=3 106 B9R1.69 c1cc(c(cc1F)O)N BC686429 [0,0,0,0,0,0|2,1,0]=3 107 B9R1.69 c1cc(c(cc1F)O)O BC201436 [0,0,0,0,0,0|1,1,1]=3 108 B9R1.69 c1cc(c(cc1I)F)F BC201012 [0,0,0,0,0,0|3,1,0]=4 109 B9R1.69 c1cc(c(cc1I)F)O BC652354 [0,0,0,0,0,0|2,1,1]=4 110 B9R1.69 c1cc(c(cc1I)N)F BC686412 [0,0,0,0,0,0|3,1,0]=4 111 B9R1.69 c1cc(c(cc1N)Cl)Cl BC203358 [0,0,0,0,0,0|4,0,0]=4 112 B9R1.69 c1cc(c(cc1N)O)Cl BC677592 [0,0,0,0,0,0|3,0,0]=3 113 B9R1.69 c1cc(c(cc1N)O)O BC673428 [0,0,0,0,0,0|2,0,1]=3 114 B9R1.69 c1cc(c(cc1O)Br)F BC227792 [0,0,0,0,0,0|4,0,0]=4 115 B9R1.69 c1cc(c(cc1O)Cl)Br BC210230 [0,0,0,0,0,0|4,0,0]=4 116 B9R1.69 c1cc(c(cc1O)Cl)Cl BC210315 [0,0,0,0,0,0|4,0,0]=4 117 B9R1.69 c1cc(c(cc1O)Cl)N BC210179 [0,0,0,0,0,0|4,0,0]=4 118 B9R1.69 c1cc(c(cc1O)F)Cl BC227794 [0,0,0,0,0,0|4,0,0]=4 119 B9R1.69 c1cc(c(cc1O)N)Br BC638504 [0,0,0,0,0,0|4,0,0]=4 120 B9R1.69 c1cc(c(cc1O)N)F BC226676 [0,0,0,0,0,0|4,0,0]=4 121 B9R1.69 c1cc(c(cc1O)O)Br BC210237 [0,0,0,0,0,0|3,0,0]=3 122 B9R1.69 c1cc(nc(c1Cl)Cl)Cl BC210705 [0,0,0,0,0,0|4,0,0]=4 123 B8R1.3 C1=CC(=O)C=CC1=O BC250046 [1,0,0,0,0,0|2,0,0]=3 124 B8R1.3 Cc1ccc(cc1)I BC208320 [1,0,0,0,0,0|2,1,0]=4 125 B8R1.3 Cc1ccc(cn1)Br BC200848 [1,0,0,0,0,0|1,1,1]=4 126 B8R1.3 Cc1ccc(cn1)F BC219187 [1,0,0,0,0,0|1,1,1]=4 127 B8R1.3 Cc1ccc(cn1)I BC228957 [1,0,0,0,0,0|1,1,1]=4 128 B8R1.3 Cc1ccc(cn1)N BC202216 [1,0,0,0,0,0|2,0,1]=4 129 B8R1.3 Cc1ccc(cn1)O BC213724 [1,0,0,0,0,0|2,0,1]=4 130 B8R1.3 Cc1ccc(nc1)C BC220412 [1,0,0,0,0,0|2,0,1]=4 131 B8R1.3 Cc1ccc(nc1)Cl BC201252 [1,0,0,0,0,0|2,0,1]=4 132 B8R1.3 Cc1ccc(nc1)F BC219184 [1,0,0,0,0,0|2,0,1]=4 133 B8R1.3 Cc1ccc(nc1)N BC203509 [1,0,0,0,0,0|2,0,1]=4 134 B8R1.3 c1c(cnc(n1)Cl)Cl BC228087 [1,0,0,0,0,0|2,0,1]=4 135 B8R1.3 c1c(cnc(n1)I)Cl BC225380 [1,0,0,0,0,0|2,0,1]=4 136 B8R1.3 c1c(cnc(n1)O)Cl BC674915 [1,0,0,0,0,0|1,0,2]=4 137 B8R1.3 c1c(ncc(n1)Cl)Cl BC686148 [1,0,0,0,0,0|2,0,1]=4 138 B8R1.3 c1c(ncc(n1)Cl)O BC679835 [1,0,0,0,0,0|1,0,2]=4 139 B8R1.3 c1cc(ccc1Br)I BC206965 [1,0,0,0,0,0|2,1,0]=4 140 B8R1.3 c1cc(ccc1Cl)Br BC207086 [1,0,0,0,0,0|2,0,0]=3 141 B8R1.3 c1cc(ccc1Cl)I BC675841 [1,0,0,0,0,0|2,0,0]=3 142 B8R1.3 c1cc(ccc1N)Br BC204243 [1,0,0,0,0,0|2,1,0]=4 143 B8R1.3 c1cc(ccc1N)F BC226190 [1,0,0,0,0,0|2,1,0]=4 144 B8R1.3 c1cc(ccc1N)O BC227837 [1,0,0,0,0,0|2,0,1]=4 145 B8R1.3 c1cc(ccc1N)S BC676770 [1,0,0,0,0,0|2,1,0]=4 146 B8R1.3 c1cc(ccc1O)Br BC228016 [1,0,0,0,0,0|1,1,1]=4 147 B8R1.3 c1cc(ccc1O)I BC226747 [1,0,0,0,0,0|1,1,1]=4 148 B8R1.3 c1cc(ccc1O)O BC207641 [1,0,0,0,0,0|2,0,1]=4 149 B8R1.3 c1cc(n[nH]c1=O)Cl BC225810 [1,0,0,0,0,0|1,0,0]=2 150 B8R1.3 c1cc(ncc1Br)F BC211679 [1,0,0,0,0,0|1,1,1]=4 151 B8R1.3 c1cc(ncc1Br)N BC202223 [1,0,0,0,0,0|1,1,1]=4 152 B8R1.3 c1cc(ncc1Br)O BC219149 [1,0,0,0,0,0|0,1,2]=4 153 B8R1.3 c1cc(ncc1Cl)Br BC202228 [1,0,0,0,0,0|1,0,1]=3 154 B8R1.3 c1cc(ncc1Cl)Cl BC210322 [1,0,0,0,0,0|1,0,1]=3 155 B8R1.3 c1cc(ncc1Cl)F BC201381 [1,0,0,0,0,0|1,0,1]=3 156 B8R1.3 c1cc(ncc1Cl)I BC226646 [1,0,0,0,0,0|1,0,1]=3 157 B8R1.3 c1cc(ncc1F)Cl BC208051 [1,0,0,0,0,0|1,1,1]=4 158 B8R1.3 c1cc(ncc1F)N BC204792 [1,0,0,0,0,0|1,1,1]=4 159 B8R1.3 c1cc(ncc1F)O BC219174 [1,0,0,0,0,0|0,1,2]=4 160 B8R1.3 c1cc(ncc1I)Br BC219151 [1,0,0,0,0,0|1,1,1]=4 161 B8R1.3 c1cc(ncc1I)O BC228859 [1,0,0,0,0,0|0,1,2]=4 162 B8R1.3 c1cc(ncc1N)Br BC213741 [1,0,0,0,0,0|2,0,1]=4 163 B8R1.3 c1cc(ncc1N)Cl BC203573 [1,0,0,0,0,0|2,0,1]=4 164 B8R1.3 c1cc(ncc1N)O BC653280 [1,0,0,0,0,0|1,0,2]=4 165 B8R1.3 c1cc(ncc1O)Br BC208384 [1,0,0,0,0,0|2,0,1]=4 166 B8R1.3 c1cc(ncc1O)Cl BC208468 [1,0,0,0,0,0|2,0,1]=4 167 B8R1.3 c1cc(ncc1O)F BC221861 [1,0,0,0,0,0|2,0,1]=4 168 B8R1.3 c1cc(ncc1O)I BC200349 [1,0,0,0,0,0|2,0,1]=4 169 B8R1.3 c1cc(ncc1O)N BC226650 [1,0,0,0,0,0|2,0,1]=4 170 B8R1.3 c1cc(nnc1Cl)Cl BC225811 [1,0,0,0,0,0|2,0,1]=4 171 B8R1.3 c1cc(nnc1Cl)I BC677311 [1,0,0,0,0,0|2,0,1]=4 172 B8R1.3 c1cc(nnc1N)Cl BC677514 [1,0,0,0,0,0|2,0,1]=4 173 B8R1.4 Cc1cc(ccn1)Cl BC219169 [1,0,0,0,0,0|3,0,0]=4 174 B8R1.4 Cc1cc(ccn1)O BC208676 [1,0,0,0,0,0|3,0,0]=4 175 B8R1.4 Cc1cc(cnc1)Br BC202211 [1,0,0,0,0,0|1,1,1]=4 176 B8R1.4 Cc1cc(cnc1)N BC208421 [1,0,0,0,0,0|2,0,1]=4 177 B8R1.4 Cc1cc(cnc1)O BC201216 [1,0,0,0,0,0|1,0,1]=3 178 B8R1.4 Cc1cccc(c1)F BC675323 [1,0,0,0,0,0|2,1,0]=4 179 B8R1.4 Cc1cccc(c1)O BC207588 [1,0,0,0,0,0|2,0,0]=3 180 B8R1.4 Cc1cccc(n1)Cl BC227997 [1,0,0,0,0,0|3,0,0]=4 181 B8R1.4 c1c(cncc1Br)Br BC204490 [1,0,0,0,0,0|1,1,1]=4 182 B8R1.4 c1c(cncc1Br)O BC221860 [1,0,0,0,0,0|0,1,1]=3 183 B8R1.4 c1c(cncc1Cl)Cl BC204492 [1,0,0,0,0,0|1,0,1]=3 184 B8R1.4 c1c(cncc1Cl)N BC204497 [1,0,0,0,0,0|1,0,1]=3 185 B8R1.4 c1c(cncc1F)F BC225098 [1,0,0,0,0,0|1,1,1]=4 186 B8R1.4 c1c(cncc1N)N BC227073 [1,0,0,0,0,0|2,0,1]=4 187 B8R1.4 c1c(nc(cn1)Cl)Cl BC203419 [1,0,0,0,0,0|2,0,1]=4 188 B8R1.4 c1c(nc(cn1)Cl)N BC210181 [1,0,0,0,0,0|2,0,1]=4 189 B8R1.4 c1cc(cc(c1)Br)Br BC675855 [1,0,0,0,0,0|2,1,0]=4 190 B8R1.4 c1cc(cc(c1)Br)S BC667223 [1,0,0,0,0,0|1,2,0]=4 191 B8R1.4 c1cc(cc(c1)Cl)Cl BC205103 [1,0,0,0,0,0|2,0,0]=3 192 B8R1.4 c1cc(cc(c1)I)Br BC675850 [1,0,0,0,0,0|2,1,0]=4 193 B8R1.4 c1cc(cc(c1)I)N BC213647 [1,0,0,0,0,0|2,1,0]=4 194 B8R1.4 c1cc(cc(c1)O)O BC207605 [1,0,0,0,0,0|2,0,0]=3 195 B8R1.4 c1cc(nc(c1)Cl)N BC201207 [1,0,0,0,0,0|3,0,0]=4 196 B8R1.4 c1cnc(cc1Br)Cl BC204493 [1,0,0,0,0,0|3,0,0]=4 197 B8R1.4 c1cnc(cc1Br)O BC228856 [1,0,0,0,0,0|2,1,0]=4 198 B8R1.4 c1cnc(cc1Cl)Br BC204494 [1,0,0,0,0,0|3,0,0]=4 199 B8R1.4 c1cnc(cc1Cl)Cl BC204488 [1,0,0,0,0,0|3,0,0]=4 200 B8R1.4 c1cnc(cc1Cl)N BC225236 [1,0,0,0,0,0|3,0,0]=4 201 B8R1.4 c1cnc(cc1F)Cl BC226637 [1,0,0,0,0,0|3,0,0]=4 202 B8R1.4 c1cnc(cc1N)Cl BC227047 [1,0,0,0,0,0|3,0,0]=4 203 B8R1.4 c1cnc(cc1O)Br BC208749 [1,0,0,0,0,0|2,1,0]=4 204 B8R1.4 c1cnc(cc1O)F BC656317 [1,0,0,0,0,0|2,1,0]=4 205 B8R1.4 c1cnc(cc1O)N BC222335 [1,0,0,0,0,0|3,0,0]=4 206 B8R1.4 c1cnc(cc1O)O BC208052 [1,0,0,0,0,0|3,0,0]=4 207 B8R1.5 Cc1c(cccn1)Br BC225550 [1,0,0,0,0,0|2,0,1]=4 208 B8R1.5 Cc1c(cccn1)Cl BC656264 [1,0,0,0,0,0|2,0,1]=4 209 B8R1.5 Cc1c(cccn1)F BC677139 [1,0,0,0,0,0|2,0,1]=4 210 B8R1.5 Cc1c(cccn1)N BC219118 [1,0,0,0,0,0|2,0,1]=4 211 B8R1.5 Cc1c(cccn1)O BC225229 [1,0,0,0,0,0|1,0,1]=3 212 B8R1.5 Cc1cccnc1Br BC227989 [1,0,0,0,0,0|2,0,1]=4 213 B8R1.5 Cc1cccnc1N BC225899 [1,0,0,0,0,0|2,0,1]=4 214 B8R1.5 Cc1cccnc1O BC225228 [1,0,0,0,0,0|1,0,2]=4 215 B8R1.5 Cc1ccncc1O BC656328 [1,0,0,0,0,0|3,0,0]=4 216 B8R1.5 Cn1cccnc1=O BC224691 [1,0,0,0,0,0|2,0,1]=4 217 B8R1.5 c1c(c(=O)nc[nH]1)Br BC666251 [1,0,0,0,0,0|2,0,1]=4 218 B8R1.5 c1c(c(=O)nc[nH]1)O BC655988 [1,0,0,0,0,0|1,0,1]=3 219 B8R1.5 c1cc(c(nc1)Br)F BC227112 [1,0,0,0,0,0|2,0,1]=4 220 B8R1.5 c1cc(c(nc1)Br)N BC207481 [1,0,0,0,0,0|2,0,1]=4 221 B8R1.5 c1cc(c(nc1)Br)O BC206638 [1,0,0,0,0,0|1,0,1]=3 222 B8R1.5 c1cc(c(nc1)Cl)Br BC210233 [1,0,0,0,0,0|2,0,1]=4 223 B8R1.5 c1cc(c(nc1)Cl)Cl BC210321 [1,0,0,0,0,0|2,0,1]=4 224 B8R1.5 c1cc(c(nc1)Cl)I BC207966 [1,0,0,0,0,0|2,0,1]=4 225 B8R1.5 c1cc(c(nc1)Cl)N BC226077 [1,0,0,0,0,0|2,0,1]=4 226 B8R1.5 c1cc(c(nc1)Cl)O BC206637 [1,0,0,0,0,0|1,0,1]=3 227 B8R1.5 c1cc(c(nc1)F)Br BC219145 [1,0,0,0,0,0|2,0,1]=4 228 B8R1.5 c1cc(c(nc1)F)Cl BC214599 [1,0,0,0,0,0|2,0,1]=4 229 B8R1.5 c1cc(c(nc1)F)F BC211682 [1,0,0,0,0,0|2,0,1]=4 230 B8R1.5 c1cc(c(nc1)F)I BC213726 [1,0,0,0,0,0|2,0,1]=4 231 B8R1.5 c1cc(c(nc1)F)N BC219109 [1,0,0,0,0,0|2,0,1]=4 232 B8R1.5 c1cc(c(nc1)F)O BC677131 [1,0,0,0,0,0|1,0,1]=3 233 B8R1.5 c1cc(c(nc1)I)O BC206480 [1,0,0,0,0,0|1,0,1]=3 234 B8R1.5 c1cc(c(nc1)N)Br BC202222 [1,0,0,0,0,0|2,0,1]=4 235 B8R1.5 c1cc(c(nc1)N)Cl BC205827 [1,0,0,0,0,0|2,0,1]=4 236 B8R1.5 c1cc(c(nc1)N)F BC227098 [1,0,0,0,0,0|2,0,1]=4 237 B8R1.5 c1cc(c(nc1)N)I BC219764 [1,0,0,0,0,0|2,0,1]=4 238 B8R1.5 c1cc(c(nc1)N)N BC227150 [1,0,0,0,0,0|2,0,1]=4 239 B8R1.5 c1cc(c(nc1)N)O BC227987 [1,0,0,0,0,0|1,0,1]=3 240 B8R1.5 c1cc(c(nc1)O)F BC202279 [1,0,0,0,0,0|1,0,2]=4 241 B8R1.5 c1cc(c(nc1)O)N BC202198 [1,0,0,0,0,0|1,0,2]=4 242 B8R1.5 c1cc(c(nc1)O)O BC209278 [1,0,0,0,0,0|0,0,2]=3 243 B8R1.5 c1ccc(c(c1)N)Br BC677892 [1,0,0,0,0,0|3,0,0]=4 244 B8R1.5 c1ccc(c(c1)N)I BC213646 [1,0,0,0,0,0|3,0,0]=4 245 B8R1.5 c1ccc(c(c1)N)S BC250051 [1,0,0,0,0,0|2,1,0]=4 246 B8R1.5 c1ccc(c(c1)O)I BC213644 [1,0,0,0,0,0|2,0,0]=3 247 B8R1.5 c1ccc(c(c1)O)O BC205707 [1,0,0,0,0,0|1,0,1]=3 248 B8R1.5 c1cncc(c1Br)O BC228930 [1,0,0,0,0,0|3,0,0]=4 249 B8R1.5 c1cncc(c1I)O BC212690 [1,0,0,0,0,0|3,0,0]=4 250 B8R1.5 c1cncc(c1N)O BC228924 [1,0,0,0,0,0|3,0,0]=4 251 B8R1.5 c1cncc(c1O)N BC201447 [1,0,0,0,0,0|3,0,0]=4 252 B8R1.5 c1cncc(c1O)O BC678752 [1,0,0,0,0,0|2,0,1]=4 253 B10R1.22 Cc1cc(c(c(c1)O)C)C BC201110 [0,1,0,0,0,0|3,0,0]=4 254 B10R1.22 Cc1cc(cc(c1N)C)Cl BC227787 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.22 Cn1cc(cc(c1=O)Br)Br BC212246 [0,1,0,0,0,0|1,1,0]=3 256 B10R1.22 c1c(cc(c(c1Br)O)Br)Cl BC220179 [0,1,0,0,0,0|2,0,1]=4 257 B10R1.22 c1c(cc(c(c1Cl)Cl)Cl)Cl BC216090 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.22 c1c(cc(c(c1N)O)Cl)Cl BC210188 [0,1,0,0,0,0|2,0,1]=4 259 B10R1.25 CCc1ccc(cc1O)O BC201065 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.25 COc1c(cc(cn1)Cl)Br BC228873 [0,1,0,0,0,0|1,0,2]=4 261 B10R1.25 COc1ccc(cc1Br)Cl BC200800 [0,1,0,0,0,0|2,0,1]=4 262 B10R1.25 COc1ccc(cc1I)Cl BC646260 [0,1,0,0,0,0|2,0,1]=4 263 B10R1.25 COc1ccc(cc1O)Br BC678376 [0,1,0,0,0,0|1,1,1]=4 264 B10R1.25 Cc1cc(ccc1C#N)Cl BC210293 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.25 Cc1cc(ccc1C=O)F BC211665 [0,1,0,0,0,0|2,1,0]=4 266 B10R1.25 Cc1cc(ccc1C=O)O BC215465 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.25 Cc1ccc(c(c1)Br)C=O BC675522 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.25 Cc1ccc(c(c1)Cl)C=O BC658832 [0,1,0,0,0,0|3,0,0]=4 269 B10R1.25 Cc1ccc(c(c1)F)C=O BC211664 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.25 c1cc(c(cc1Br)Cl)C=O BC227733 [0,1,0,0,0,0|2,1,0]=4 271 B10R1.25 c1cc(c(cc1Br)F)C=O BC227694 [0,1,0,0,0,0|2,1,0]=4 272 B10R1.25 c1cc(c(cc1Br)O)C=O BC675928 [0,1,0,0,0,0|1,1,0]=3 273 B10R1.25 c1cc(c(cc1Cl)Br)C=O BC658860 [0,1,0,0,0,0|2,0,0]=3 274 B10R1.25 c1cc(c(cc1Cl)F)CCl BC200642 [0,1,0,0,0,0|3,0,0]=4 275 B10R1.25 c1cc(c(cc1Cl)F)CO BC226999 [0,1,0,0,0,0|2,0,1]=4 276 B10R1.25 c1cc(c(cc1Cl)O)C=O BC676335 [0,1,0,0,0,0|1,0,0]=2 277 B10R1.25 c1cc(c(cc1F)O)C=O BC215403 [0,1,0,0,0,0|1,1,0]=3 278 B10R1.25 c1cc(c(cc1N)O)C#N BC236841 [0,1,0,0,0,0|3,0,0]=4 279 B10R1.25 c1cc(c(cc1O)Cl)C=O BC676095 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.25 c1cc(c(cc1O)O)C=O BC676081 [0,1,0,0,0,0|2,0,0]=3 281 B10R1.25 c1cc(nc(c1C=O)Cl)Cl BC227133 [0,1,0,0,0,0|3,0,0]=4 282 B10R1.30 COc1cc(ccc1Br)Cl BC689392 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.30 COc1cc(ccc1F)N BC220812 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.30 COc1cc(ccc1I)N BC686423 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.30 COc1cc(ccc1N)Br BC214512 [0,1,0,0,0,0|2,1,0]=4 286 B10R1.30 COc1cc(ccc1O)O BC222291 [0,1,0,0,0,0|2,0,1]=4 287 B10R1.30 c1c(cnc(c1C=O)F)Cl BC219160 [0,1,0,0,0,0|1,0,2]=4 288 B10R1.30 c1cc(c(cc1Br)CO)F BC226996 [0,1,0,0,0,0|2,1,0]=4 289 B10R1.30 c1cc(c(cc1Cl)C#N)Br BC679473 [0,1,0,0,0,0|3,0,0]=4 290 B10R1.30 c1cc(c(cc1Cl)C=O)N BC676094 [0,1,0,0,0,0|2,0,1]=4 291 B10R1.30 c1cc(c(cc1Cl)CN)F BC211118 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.30 c1cc(c(cc1I)CO)Cl BC600271 [0,1,0,0,0,0|2,1,0]=4 293 B10R1.118 Cc1cc(c(cc1Cl)Br)F BC675890 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.118 Cc1cc(c(cc1Cl)C)Cl BC218653 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.118 Cc1cc(c(cc1F)Cl)N BC221801 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)Cl BC216089 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.118 c1c(c(cc(c1Cl)Cl)N)N BC216365 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.118 c1c(c(cc(c1Cl)O)Cl)N BC630700 [0,1,0,0,0,0|2,0,0]=3 299 B10R1.118 c1c(c(nc(c1Cl)Cl)O)Cl BC201837 [0,1,0,0,0,0|1,0,2]=4 300 B10R1.119 Cc1ccc(c(c1Cl)N)Cl BC213137 [0,1,0,0,0,0|3,0,0]=4 301 B10R1.119 Cc1ccc(c(c1O)C)O BC206302 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.119 c1cc(c(c(c1N)F)Cl)Cl BC227766 [0,1,0,0,0,0|3,0,0]=4 303 B10R1.176 COc1ccc(c(c1)O)Br BC210248 [0,1,0,0,0,0|3,0,0]=4 304 B10R1.176 Cc1ccc(cc1C)CCl BC215413 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.176 c1cc(c(cc1C#N)O)O BC220357 [0,1,0,0,0,0|2,0,1]=4 306 B10R1.176 c1cc(c(cc1CCl)F)Cl BC210962 [0,1,0,0,0,0|3,0,0]=4 307 B8R1.18 Cn1c(=O)cc(s1)Cl BC221924 [0,0,0,0,1,0|3,0,0]=4 308 B8R1.50 CC1=C(C(=O)CO1)O BC207037 [0,0,0,0,1,0|3,0,0]=4 309 B7R0.3 C=CCNC(=O)C=C BC669442 [1,0,1,0,0,0|1,0,1]=4 310 B7R1.3 Cc1cccnc1 BC228007 [2,0,0,0,0,0|1,0,1]=4 311 B7R1.3 c1c(cncn1)O BC228081 [2,0,0,0,0,0|1,0,1]=4 312 B7R1.3 c1c[nH]c(=O)nc1 BC215238 [2,0,0,0,0,0|1,0,0]=3 313 B7R1.3 c1cc(=O)[nH]nc1 BC225809 [2,0,0,0,0,0|1,0,0]=3 314 B7R1.3 c1cc(cnc1)Cl BC209276 [2,0,0,0,0,0|0,0,1]=3 315 B7R1.3 c1cc(cnc1)I BC225230 [2,0,0,0,0,0|0,1,1]=4 316 B7R1.3 c1cc(cnc1)S BC244412 [2,0,0,0,0,0|0,1,1]=4 317 B7R1.3 c1cc(nnc1)Cl BC675997 [2,0,0,0,0,0|1,0,1]=4 318 B7R1.3 c1ccnc(c1)Cl BC653330 [2,0,0,0,0,0|1,0,1]=4 319 B7R1.3 c1cnc(cn1)Cl BC226186 [2,0,0,0,0,0|1,0,1]=4 320 B7R1.3 c1cnc[nH]c1=O BC209585 [2,0,0,0,0,0|1,0,0]=3 321 B9R1.1 Cc1ccc(cc1)C=O BC211019 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.1 Cc1ccc(nc1)C=O BC207526 [1,1,0,0,0,0|1,0,1]=4 323 B9R1.1 c1cc(ccc1C=O)Br BC213531 [1,1,0,0,0,0|1,1,0]=4 324 B9R1.1 c1cc(ccc1C=O)N BC204291 [1,1,0,0,0,0|2,0,0]=4 325 B9R1.1 c1cc(ccc1C=O)O BC227835 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.1 c1cc(ccc1CBr)Cl BC202439 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.1 c1cc(ccc1CCl)Cl BC678529 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.1 c1cc(ccc1NN)Cl BC675025 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.1 c1cc(ncc1Br)C=O BC225554 [1,1,0,0,0,0|0,1,1]=4 330 B9R1.1 c1cc(ncc1C=O)Cl BC226370 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.1 c1cc(ncc1CCl)Cl BC201251 [1,1,0,0,0,0|1,0,1]=4 332 B9R1.1 c1cc(ncc1Cl)C#N BC208461 [1,1,0,0,0,0|1,0,1]=4 333 B9R1.2 COc1cc(cnc1)N BC678830 [1,1,0,0,0,0|1,0,1]=4 334 B9R1.2 COc1cccc(c1)Br BC208526 [1,1,0,0,0,0|1,1,0]=4 335 B9R1.2 COc1ccnc(c1)Cl BC201211 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.2 c1c(cncc1Br)CCl BC200350 [1,1,0,0,0,0|1,0,1]=4 337 B9R1.2 c1c(cncc1Br)CO BC207465 [1,1,0,0,0,0|0,1,1]=4 338 B9R1.2 c1c(cncc1O)C#N BC650813 [1,1,0,0,0,0|1,0,1]=4 339 B9R1.2 c1cc(cc(c1)Cl)C#N BC209644 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.2 c1cc(cc(c1)Cl)C=O BC227688 [1,1,0,0,0,0|1,0,1]=4 341 B9R1.2 c1cc(cc(c1)Cl)NN BC213414 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.2 c1cc(cc(c1)F)CCl BC675428 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.2 c1cc(cc(c1)O)C=O BC226069 [1,1,0,0,0,0|2,0,0]=4 344 B9R1.2 c1cc(nc(c1)Cl)CO BC208690 [1,1,0,0,0,0|2,0,0]=4 345 B9R1.2 c1cnc(cc1CO)Cl BC208450 [1,1,0,0,0,0|2,0,0]=4 346 B9R1.3 c1c(c(c(cn1)Cl)Cl)Cl BC226659 [1,1,0,0,0,0|1,0,1]=4 347 B9R1.3 c1cc(c(c(c1)Br)N)Cl BC600280 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.3 c1cc(c(c(c1)Cl)F)F BC675881 [1,1,0,0,0,0|2,0,0]=4 349 B9R1.3 c1cc(c(c(c1)Cl)F)N BC206739 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.3 c1cc(c(c(c1)Cl)O)Cl BC228038 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.3 c1cc(c(c(c1)F)Br)O BC210240 [1,1,0,0,0,0|1,1,0]=4 352 B9R1.3 c1cc(c(c(c1)O)Cl)N BC686632 [1,1,0,0,0,0|2,0,0]=4 353 B9R1.3 c1cc(c(c(c1)O)O)O BC202160 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.34 Cc1cc(cc(c1)O)C BC227805 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.34 c1c(cc(cc1Br)Br)Cl BC213775 [1,1,0,0,0,0|2,0,0]=4 356 B9R1.34 c1c(cc(cc1Br)Br)O BC201431 [1,1,0,0,0,0|1,1,0]=4 357 B9R1.34 c1c(cc(cc1Cl)Br)F BC211112 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.34 c1c(cc(cc1Cl)Cl)O BC227802 [1,1,0,0,0,0|1,0,0]=3 359 B9R1.34 c1c(cc(cc1Cl)I)Cl BC213655 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.34 c1c(cc(cc1F)Cl)N BC209669 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.34 c1c(cc(cc1F)F)O BC200196 [1,1,0,0,0,0|1,1,0]=4 362 B9R1.34 c1c(cc(cc1O)O)O BC200250 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.15 COc1ccc[nH]c1=O BC228848 [1,1,0,0,0,0|0,0,0]=2 364 B9R1.15 COc1cccnc1Cl BC201214 [1,1,0,0,0,0|1,0,1]=4 365 B9R1.15 Cc1cccnc1C=O BC207525 [1,1,0,0,0,0|1,0,1]=4 366 B9R1.15 c1cc(c(nc1)C=O)Br BC227128 [1,1,0,0,0,0|1,0,1]=4 367 B9R1.15 c1cc(c(nc1)C=O)F BC200347 [1,1,0,0,0,0|1,0,1]=4 368 B9R1.15 c1cc(c(nc1)C=O)O BC222334 [1,1,0,0,0,0|0,0,1]=3 369 B9R1.15 c1cc(c(nc1)N)CO BC208411 [1,1,0,0,0,0|1,0,1]=4 370 B9R1.15 c1ccc(c(c1)C#N)O BC211029 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.15 c1ccc(c(c1)C=O)Br BC227689 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.15 c1ccc(c(c1)CO)Br BC211129 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.22 Cc1cc([nH]c1C=O)C BC227861 [0,1,0,0,1,0|2,0,0]=4 374 B11R1.37 COc1cc(ccc1C=O)F BC227711 [0,2,0,0,0,0|1,1,0]=4 375 B11R1.37 Cc1ccc(c(c1)OC)C=O BC682025 [0,2,0,0,0,0|2,0,0]=4 376 B11R1.166 CC(=O)c1ccc(cc1Br)Cl BC652621 [0,2,0,0,0,0|2,0,0]=4 377 B11R1.166 CC(=O)c1ccc(cc1F)Cl BC686320 [0,2,0,0,0,0|2,0,0]=4 378 B11R1.166 CC(=O)c1ccc(cc1O)O BC676988 [0,2,0,0,0,0|2,0,0]=4 379 B11R1.166 Cc1cc(ccc1C(=O)O)Cl BC227504 [0,2,0,0,0,0|2,0,0]=4 380 B11R1.166 Cc1ccc(c(c1)O)C(=O)N BC202384 [0,2,0,0,0,0|2,0,0]=4 381 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl BC220335 [0,2,0,0,0,0|1,0,1]=4 382 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O BC210276 [0,2,0,0,0,0|2,0,0]=4 383 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N BC620183 [0,2,0,0,0,0|2,0,0]=4 384 B11R1.166 c1cc(c(cc1F)O)C(=O)O BC201515 [0,2,0,0,0,0|1,1,0]=4 385 B11R1.166 c1cc(c(cc1N)O)C(=O)O BC205364 [0,2,0,0,0,0|2,0,0]=4 386 B11R1.277 Cc1cc(c(cc1Cl)OC)N BC200687 [0,2,0,0,0,0|2,0,0]=4 387 B11R1.278 Cc1c(ccc(c1O)C=O)O BC202522 [0,2,0,0,0,0|2,0,0]=4 388 B11R1.279 c1cc(c(cc1C#N)O)C=O BC686622 [0,2,0,0,0,0|2,0,0]=4 389 B11R1.167 B(c1cc(ccc1O)Cl)(O)O BC670614 [0,2,0,0,0,0|1,0,1]=4 390 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl BC219210 [0,2,0,0,0,0|1,0,1]=4 391 B11R1.167 c1c(cnc(c1C(=O)O)F)Cl BC219211 [0,2,0,0,0,0|1,0,1]=4 392 B11R1.167 c1c(cnc(c1C(=O)O)N)Cl BC228739 [0,2,0,0,0,0|1,0,1]=4 393 B7R1.2 C1=CC(=O)OC1=O BC200750 [1,0,0,0,1,0|2,0,0]=4 394 B7R1.2 Cc1ccc([nH]1)C BC203703 [1,0,0,0,1,0|2,0,0]=4