0 B8R1.3 C1=CC(=O)C=CC1=O TS04136 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.3 C1=CC(=O)C=CC1=[OH+] TS75395 [0,0,0,0,0,0|1,0,1]=2 2 B8R1.3 Cc1cc[n+](cc1)C TS25680 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.3 Cc1ccc(=O)[nH]c1 TS92956 [0,0,0,0,0,0|1,0,1]=2 4 B8R1.3 Cc1ccc(=O)[nH]n1 TS88402 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.3 Cc1ccc(cc1)Br TS09620 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.3 Cc1ccc(cc1)C TS04096 [0,0,0,0,0,0|1,0,0]=1 7 B8R1.3 Cc1ccc(cc1)C TS77016 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.3 Cc1ccc(cc1)Cl TS39593 [0,0,0,0,0,0|1,0,0]=1 9 B8R1.3 Cc1ccc(cc1)F TS31829 [0,0,0,0,0,0|1,0,0]=1 10 B8R1.3 Cc1ccc(cc1)I TS07804 [0,0,0,0,0,0|1,0,0]=1 11 B8R1.3 Cc1ccc(cc1)I TS67797 [0,0,0,0,0,0|1,0,0]=1 12 B8R1.3 Cc1ccc(cc1)N TS04112 [0,0,0,0,0,0|1,0,0]=1 13 B8R1.3 Cc1ccc(cc1)N TS40127 [0,0,0,0,0,0|1,0,0]=1 14 B8R1.3 Cc1ccc(cc1)O TS05157 [0,0,0,0,0,0|0,0,0]=0 15 B8R1.3 Cc1ccc(cc1)O TS94395 [0,0,0,0,0,0|0,0,0]=0 16 B8R1.3 Cc1ccc(cc1)P TS32593 [0,0,0,0,0,0|1,0,0]=1 17 B8R1.3 Cc1ccc(cc1)S TS39763 [0,0,0,0,0,0|0,1,0]=1 18 B8R1.3 Cc1ccc(cc1)[Si] TS04930 [0,0,0,0,0,0|1,0,0]=1 19 B8R1.3 Cc1ccc(cn1)Br TS09799 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.3 Cc1ccc(cn1)Cl TS71507 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.3 Cc1ccc(cn1)F TS03302 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.3 Cc1ccc(cn1)I TS71574 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.3 Cc1ccc(cn1)N TS65872 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.3 Cc1ccc(cn1)O TS71569 [0,0,0,0,0,0|1,0,0]=1 25 B8R1.3 Cc1ccc(nc1)Br TS55127 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.3 Cc1ccc(nc1)C TS47280 [0,0,0,0,0,0|2,0,0]=2 27 B8R1.3 Cc1ccc(nc1)Cl TS00914 [0,0,0,0,0,0|2,0,0]=2 28 B8R1.3 Cc1ccc(nc1)F TS01010 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.3 Cc1ccc(nc1)N TS07049 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.3 Cc1ccc(nc1)N TS47444 [0,0,0,0,0,0|2,0,0]=2 31 B8R1.3 Cc1ccc(nc1)O TS01053 [0,0,0,0,0,0|1,0,0]=1 32 B8R1.3 Cc1ccc(nc1)S TS05105 [0,0,0,0,0,0|1,1,0]=2 33 B8R1.3 Cc1ccc(nn1)Br TS89616 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.3 Cc1ccc(nn1)C TS94711 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.3 Cc1ccc(nn1)Cl TS02708 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.3 Cc1ccc(nn1)I TS85912 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.3 Cc1ccc(nn1)N TS91497 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.3 Cc1ccn(=O)cc1 TS09774 [0,0,0,0,0,0|1,0,1]=2 39 B8R1.3 Cc1cnc(cn1)Br TS89981 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.3 Cc1cnc(cn1)C TS47279 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.3 Cc1cnc(cn1)N TS47443 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.3 Cc1cnc(nc1)Cl TS00915 [0,0,0,0,0,0|3,0,0]=3 43 B8R1.3 Cc1cnc(nc1)N TS47445 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.3 Cc1ncc(cn1)Br TS87704 [0,0,0,0,0,0|3,0,0]=3 45 B8R1.3 Cc1ncc(cn1)N TS03220 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.3 Cc1ncc(cn1)O TS02449 [0,0,0,0,0,0|2,0,0]=2 47 B8R1.3 c1c(cnc(=O)[nH]1)I TS01050 [0,0,0,0,0,0|3,0,1]=4 48 B8R1.3 c1c(cnc(n1)Br)Br TS47251 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.3 c1c(cnc(n1)Br)F TS01773 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.3 c1c(cnc(n1)Br)N TS71354 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.3 c1c(cnc(n1)Br)O TS90862 [0,0,0,0,0,0|3,0,0]=3 52 B8R1.3 c1c(cnc(n1)Cl)Br TS00904 [0,0,0,0,0,0|4,0,0]=4 53 B8R1.3 c1c(cnc(n1)Cl)Br TS93692 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.3 c1c(cnc(n1)Cl)Cl TS00668 [0,0,0,0,0,0|4,0,0]=4 55 B8R1.3 c1c(cnc(n1)Cl)F TS86944 [0,0,0,0,0,0|4,0,0]=4 56 B8R1.3 c1c(cnc(n1)Cl)N TS71358 [0,0,0,0,0,0|4,0,0]=4 57 B8R1.3 c1c(cnc(n1)Cl)O TS55250 [0,0,0,0,0,0|3,0,0]=3 58 B8R1.3 c1c(cnc(n1)F)Br TS39343 [0,0,0,0,0,0|4,0,0]=4 59 B8R1.3 c1c(cnc(n1)F)N TS32005 [0,0,0,0,0,0|4,0,0]=4 60 B8R1.3 c1c(cnc(n1)I)Br TS09787 [0,0,0,0,0,0|4,0,0]=4 61 B8R1.3 c1c(cnc(n1)I)Cl TS71499 [0,0,0,0,0,0|4,0,0]=4 62 B8R1.3 c1c(cnc(n1)N)Br TS09814 [0,0,0,0,0,0|4,0,0]=4 63 B8R1.3 c1c(cnc(n1)N)Cl TS00779 [0,0,0,0,0,0|4,0,0]=4 64 B8R1.3 c1c(cnc(n1)N)I TS47436 [0,0,0,0,0,0|4,0,0]=4 65 B8R1.3 c1c(cnc(n1)N)N TS47241 [0,0,0,0,0,0|4,0,0]=4 66 B8R1.3 c1c(cnc(n1)N)O TS00791 [0,0,0,0,0,0|3,0,0]=3 67 B8R1.3 c1c(cnc(n1)O)Br TS09782 [0,0,0,0,0,0|3,0,0]=3 68 B8R1.3 c1c(cnc(n1)O)Br TS94911 [0,0,0,0,0,0|3,0,0]=3 69 B8R1.3 c1c(cnc(n1)O)Cl TS71497 [0,0,0,0,0,0|3,0,0]=3 70 B8R1.3 c1c(ncc(n1)Br)Br TS47250 [0,0,0,0,0,0|4,0,0]=4 71 B8R1.3 c1c(ncc(n1)Br)Cl TS89584 [0,0,0,0,0,0|4,0,0]=4 72 B8R1.3 c1c(ncc(n1)Br)N TS47430 [0,0,0,0,0,0|4,0,0]=4 73 B8R1.3 c1c(ncc(n1)Br)O TS08345 [0,0,0,0,0,0|3,0,0]=3 74 B8R1.3 c1c(ncc(n1)Cl)Cl TS00665 [0,0,0,0,0,0|4,0,0]=4 75 B8R1.3 c1c(ncc(n1)Cl)N TS00777 [0,0,0,0,0,0|4,0,0]=4 76 B8R1.3 c1c(ncc(n1)Cl)O TS71495 [0,0,0,0,0,0|3,0,0]=3 77 B8R1.3 c1c(ncc(n1)I)Br TS89956 [0,0,0,0,0,0|4,0,0]=4 78 B8R1.3 c1c[n+](ccc1F)[O-] TS87895 [0,0,0,0,0,0|2,0,1]=3 79 B8R1.3 c1c[n+](ccc1O)[O-] TS04235 [0,0,0,0,0,0|2,0,0]=2 80 B8R1.3 c1cc(=S)[nH]cc1N TS36143 [0,0,0,0,0,0|2,1,0]=3 81 B8R1.3 c1cc(ccc1Br)Br TS07885 [0,0,0,0,0,0|2,0,0]=2 82 B8R1.3 c1cc(ccc1Br)I TS00413 [0,0,0,0,0,0|2,0,0]=2 83 B8R1.3 c1cc(ccc1Cl)Br TS09601 [0,0,0,0,0,0|2,0,0]=2 84 B8R1.3 c1cc(ccc1Cl)Cl TS40485 [0,0,0,0,0,0|2,0,0]=2 85 B8R1.3 c1cc(ccc1Cl)I TS64993 [0,0,0,0,0,0|2,0,0]=2 86 B8R1.3 c1cc(ccc1Cl)[Zn+] TS59235 [0,0,0,0,0,0|2,0,0]=2 87 B8R1.3 c1cc(ccc1F)Br TS09602 [0,0,0,0,0,0|2,0,0]=2 88 B8R1.3 c1cc(ccc1F)Cl TS09203 [0,0,0,0,0,0|2,0,0]=2 89 B8R1.3 c1cc(ccc1F)F TS59891 [0,0,0,0,0,0|2,0,0]=2 90 B8R1.3 c1cc(ccc1F)I TS39508 [0,0,0,0,0,0|2,0,0]=2 91 B8R1.3 c1cc(ccc1F)S TS05333 [0,0,0,0,0,0|1,1,0]=2 92 B8R1.3 c1cc(ccc1F)S TS12288 [0,0,0,0,0,0|1,1,0]=2 93 B8R1.3 c1cc(ccc1I)I TS46809 [0,0,0,0,0,0|2,0,0]=2 94 B8R1.3 c1cc(ccc1N)Br TS70992 [0,0,0,0,0,0|2,0,0]=2 95 B8R1.3 c1cc(ccc1N)Cl TS42659 [0,0,0,0,0,0|2,0,0]=2 96 B8R1.3 c1cc(ccc1N)Cl TS71059 [0,0,0,0,0,0|2,0,0]=2 97 B8R1.3 c1cc(ccc1N)F TS71137 [0,0,0,0,0,0|2,0,0]=2 98 B8R1.3 c1cc(ccc1N)I TS71193 [0,0,0,0,0,0|2,0,0]=2 99 B8R1.3 c1cc(ccc1N)N TS38978 [0,0,0,0,0,0|2,0,0]=2 100 B8R1.3 c1cc(ccc1N)O TS07145 [0,0,0,0,0,0|1,0,0]=1 101 B8R1.3 c1cc(ccc1N)O TS59709 [0,0,0,0,0,0|1,0,0]=1 102 B8R1.3 c1cc(ccc1N)S TS39734 [0,0,0,0,0,0|1,1,0]=2 103 B8R1.3 c1cc(ccc1O)Cl TS36377 [0,0,0,0,0,0|1,0,0]=1 104 B8R1.3 c1cc(ccc1O)Cl TS40947 [0,0,0,0,0,0|1,0,0]=1 105 B8R1.3 c1cc(ccc1O)F TS33165 [0,0,0,0,0,0|1,0,0]=1 106 B8R1.3 c1cc(ccc1O)I TS59518 [0,0,0,0,0,0|1,0,0]=1 107 B8R1.3 c1cc(ccc1O)O TS01676 [0,0,0,0,0,0|1,0,0]=1 108 B8R1.3 c1cc(ccc1O)O TS02292 [0,0,0,0,0,0|1,0,0]=1 109 B8R1.3 c1cc(ccc1O)O TS24537 [0,0,0,0,0,0|1,0,0]=1 110 B8R1.3 c1cc(ccc1O)S TS36138 [0,0,0,0,0,0|1,0,0]=1 111 B8R1.3 c1cc(ccc1S)Br TS39741 [0,0,0,0,0,0|1,1,0]=2 112 B8R1.3 c1cc(ccc1S)Cl TS07052 [0,0,0,0,0,0|1,1,0]=2 113 B8R1.3 c1cc(ccc1[Zn+])Br TS64616 [0,0,0,0,0,0|2,0,0]=2 114 B8R1.3 c1cc(n[nH]c1=O)Cl TS55572 [0,0,0,0,0,0|3,0,1]=4 115 B8R1.3 c1cc(ncc1Br)Br TS25985 [0,0,0,0,0,0|3,0,0]=3 116 B8R1.3 c1cc(ncc1Br)Cl TS71413 [0,0,0,0,0,0|3,0,0]=3 117 B8R1.3 c1cc(ncc1Br)F TS71426 [0,0,0,0,0,0|3,0,0]=3 118 B8R1.3 c1cc(ncc1Br)I TS09786 [0,0,0,0,0,0|3,0,0]=3 119 B8R1.3 c1cc(ncc1Br)N TS47431 [0,0,0,0,0,0|3,0,0]=3 120 B8R1.3 c1cc(ncc1Br)N TS90623 [0,0,0,0,0,0|3,0,0]=3 121 B8R1.3 c1cc(ncc1Br)O TS09781 [0,0,0,0,0,0|2,0,0]=2 122 B8R1.3 c1cc(ncc1Cl)Br TS55123 [0,0,0,0,0,0|3,0,0]=3 123 B8R1.3 c1cc(ncc1Cl)Cl TS00666 [0,0,0,0,0,0|3,0,0]=3 124 B8R1.3 c1cc(ncc1Cl)F TS71487 [0,0,0,0,0,0|3,0,0]=3 125 B8R1.3 c1cc(ncc1Cl)I TS71498 [0,0,0,0,0,0|3,0,0]=3 126 B8R1.3 c1cc(ncc1Cl)N TS00778 [0,0,0,0,0,0|3,0,0]=3 127 B8R1.3 c1cc(ncc1Cl)O TS71496 [0,0,0,0,0,0|2,0,0]=2 128 B8R1.3 c1cc(ncc1F)Br TS08342 [0,0,0,0,0,0|3,0,0]=3 129 B8R1.3 c1cc(ncc1F)Cl TS85452 [0,0,0,0,0,0|3,0,0]=3 130 B8R1.3 c1cc(ncc1F)F TS47260 [0,0,0,0,0,0|3,0,0]=3 131 B8R1.3 c1cc(ncc1F)I TS50245 [0,0,0,0,0,0|3,0,0]=3 132 B8R1.3 c1cc(ncc1F)N TS00788 [0,0,0,0,0,0|3,0,0]=3 133 B8R1.3 c1cc(ncc1F)N TS85448 [0,0,0,0,0,0|3,0,0]=3 134 B8R1.3 c1cc(ncc1F)O TS71538 [0,0,0,0,0,0|2,0,0]=2 135 B8R1.3 c1cc(ncc1I)Br TS08347 [0,0,0,0,0,0|3,0,0]=3 136 B8R1.3 c1cc(ncc1I)Cl TS55251 [0,0,0,0,0,0|3,0,0]=3 137 B8R1.3 c1cc(ncc1I)F TS85441 [0,0,0,0,0,0|3,0,0]=3 138 B8R1.3 c1cc(ncc1I)I TS59927 [0,0,0,0,0,0|3,0,0]=3 139 B8R1.3 c1cc(ncc1I)N TS47435 [0,0,0,0,0,0|3,0,0]=3 140 B8R1.3 c1cc(ncc1I)O TS60294 [0,0,0,0,0,0|2,0,0]=2 141 B8R1.3 c1cc(ncc1N)Br TS65865 [0,0,0,0,0,0|3,0,0]=3 142 B8R1.3 c1cc(ncc1N)Cl TS71356 [0,0,0,0,0,0|3,0,0]=3 143 B8R1.3 c1cc(ncc1N)F TS01234 [0,0,0,0,0,0|3,0,0]=3 144 B8R1.3 c1cc(ncc1N)I TS71363 [0,0,0,0,0,0|3,0,0]=3 145 B8R1.3 c1cc(ncc1N)N TS47239 [0,0,0,0,0,0|3,0,0]=3 146 B8R1.3 c1cc(ncc1N)N TS47240 [0,0,0,0,0,0|3,0,0]=3 147 B8R1.3 c1cc(ncc1N)O TS07283 [0,0,0,0,0,0|2,0,0]=2 148 B8R1.3 c1cc(ncc1N)O TS71362 [0,0,0,0,0,0|2,0,0]=2 149 B8R1.3 c1cc(ncc1O)Br TS08346 [0,0,0,0,0,0|2,0,0]=2 150 B8R1.3 c1cc(ncc1O)Cl TS55249 [0,0,0,0,0,0|2,0,0]=2 151 B8R1.3 c1cc(ncc1O)F TS01000 [0,0,0,0,0,0|2,0,0]=2 152 B8R1.3 c1cc(ncc1O)I TS23214 [0,0,0,0,0,0|2,0,0]=2 153 B8R1.3 c1cc(ncc1O)N TS00790 [0,0,0,0,0,0|2,0,0]=2 154 B8R1.3 c1cc(ncc1O)O TS47263 [0,0,0,0,0,0|2,0,0]=2 155 B8R1.3 c1cc(nnc1Br)Br TS02604 [0,0,0,0,0,0|4,0,0]=4 156 B8R1.3 c1cc(nnc1Cl)Cl TS02605 [0,0,0,0,0,0|4,0,0]=4 157 B8R1.3 c1cc(nnc1Cl)I TS86647 [0,0,0,0,0,0|4,0,0]=4 158 B8R1.3 c1cc(nnc1I)I TS63749 [0,0,0,0,0,0|4,0,0]=4 159 B8R1.3 c1cc(nnc1N)Br TS65863 [0,0,0,0,0,0|4,0,0]=4 160 B8R1.3 c1cc(nnc1N)Cl TS33360 [0,0,0,0,0,0|4,0,0]=4 161 B8R1.3 c1cc(nnc1N)Cl TS65868 [0,0,0,0,0,0|4,0,0]=4 162 B8R1.3 c1cc(nnc1N)I TS90422 [0,0,0,0,0,0|4,0,0]=4 163 B8R1.3 c1cc(nnc1N)N TS07284 [0,0,0,0,0,0|4,0,0]=4 164 B8R1.3 c1cc(nnc1O)Cl TS36566 [0,0,0,0,0,0|3,0,0]=3 165 B8R1.3 c1cc(nnc1O)O TS93162 [0,0,0,0,0,0|3,0,0]=3 166 B8R1.3 c1cn(=O)ccc1Cl TS05502 [0,0,0,0,0,0|2,0,1]=3 167 B7R1.3 B=N1=CC=CC=C1 TS71871 [1,0,0,0,0,0|2,0,0]=3 168 B7R1.3 CC1CC=CC=C1 TS03676 [1,0,0,0,0,0|0,0,2]=3 169 B7R1.3 C[n+]1ccccc1 TS05508 [1,0,0,0,0,0|1,0,0]=2 170 B7R1.3 C[n+]1ccccc1 TS45717 [1,0,0,0,0,0|1,0,0]=2 171 B7R1.3 Cc1ccccc1 TS71861 [1,0,0,0,0,0|0,0,0]=1 172 B7R1.3 Cc1ccccn1 TS71881 [1,0,0,0,0,0|1,0,0]=2 173 B7R1.3 Cc1ccccn1 TS93768 [1,0,0,0,0,0|1,0,0]=2 174 B7R1.3 Cc1cccnc1 TS39719 [1,0,0,0,0,0|1,0,0]=2 175 B7R1.3 Cc1cccnn1 TS70675 [1,0,0,0,0,0|2,0,0]=3 176 B7R1.3 Cc1ccncc1 TS02242 [1,0,0,0,0,0|1,0,0]=2 177 B7R1.3 Cc1ccncn1 TS71236 [1,0,0,0,0,0|2,0,0]=3 178 B7R1.3 Cc1ccnnc1 TS03181 [1,0,0,0,0,0|2,0,0]=3 179 B7R1.3 Cc1cnccn1 TS02445 [1,0,0,0,0,0|2,0,0]=3 180 B7R1.3 Cc1cncnc1 TS01164 [1,0,0,0,0,0|2,0,0]=3 181 B7R1.3 Cc1ncccn1 TS59978 [1,0,0,0,0,0|2,0,0]=3 182 B7R1.3 [Li]c1ccccc1 TS03475 [1,0,0,0,0,0|1,0,0]=2 183 B7R1.3 c1c(cncn1)Br TS09816 [1,0,0,0,0,0|3,0,0]=4 184 B7R1.3 c1c(cncn1)Cl TS71524 [1,0,0,0,0,0|3,0,0]=4 185 B7R1.3 c1c(cncn1)F TS71551 [1,0,0,0,0,0|3,0,0]=4 186 B7R1.3 c1c(cncn1)N TS71385 [1,0,0,0,0,0|3,0,0]=4 187 B7R1.3 c1c(cncn1)O TS03344 [1,0,0,0,0,0|2,0,0]=3 188 B7R1.3 c1cc(cnc1)Br TS09497 [1,0,0,0,0,0|2,0,0]=3 189 B7R1.3 c1cc(cnc1)Cl TS66010 [1,0,0,0,0,0|2,0,0]=3 190 B7R1.3 c1cc(cnc1)F TS02768 [1,0,0,0,0,0|2,0,0]=3 191 B7R1.3 c1cc(cnc1)I TS70634 [1,0,0,0,0,0|2,0,0]=3 192 B7R1.3 c1cc(cnc1)N TS02672 [1,0,0,0,0,0|2,0,0]=3 193 B7R1.3 c1cc(cnc1)O TS32269 [1,0,0,0,0,0|1,0,0]=2 194 B7R1.3 c1cc(nnc1)Cl TS66009 [1,0,0,0,0,0|3,0,0]=4 195 B7R1.3 c1cc(nnc1)Cl TS91704 [1,0,0,0,0,0|3,0,0]=4 196 B7R1.3 c1cc(nnc1)N TS02670 [1,0,0,0,0,0|3,0,0]=4 197 B7R1.3 c1cc(nnc1)N TS02671 [1,0,0,0,0,0|3,0,0]=4 198 B7R1.3 c1cc(nnc1)O TS91073 [1,0,0,0,0,0|2,0,0]=3 199 B7R1.3 c1cc[n+](cc1)F TS15405 [1,0,0,0,0,0|2,0,0]=3 200 B7R1.3 c1cc[n+](cc1)N TS50044 [1,0,0,0,0,0|2,0,0]=3 201 B7R1.3 c1ccc(cc1)Br TS33230 [1,0,0,0,0,0|1,0,0]=2 202 B7R1.3 c1ccc(cc1)Cl TS39829 [1,0,0,0,0,0|1,0,0]=2 203 B7R1.3 c1ccc(cc1)F TS03718 [1,0,0,0,0,0|1,0,0]=2 204 B7R1.3 c1ccc(cc1)I TS01502 [1,0,0,0,0,0|1,0,0]=2 205 B7R1.3 c1ccc(cc1)I TS09193 [1,0,0,0,0,0|1,0,0]=2 206 B7R1.3 c1ccc(cc1)N TS05506 [1,0,0,0,0,0|1,0,0]=2 207 B7R1.3 c1ccc(cc1)N TS17238 [1,0,0,0,0,0|1,0,0]=2 208 B7R1.3 c1ccc(cc1)N TS31115 [1,0,0,0,0,0|1,0,0]=2 209 B7R1.3 c1ccc(cc1)N TS45718 [1,0,0,0,0,0|1,0,0]=2 210 B7R1.3 c1ccc(cc1)N TS50550 [1,0,0,0,0,0|1,0,0]=2 211 B7R1.3 c1ccc(cc1)N TS71877 [1,0,0,0,0,0|1,0,0]=2 212 B7R1.3 c1ccc(cc1)O TS03667 [1,0,0,0,0,0|0,0,0]=1 213 B7R1.3 c1ccc(cc1)P TS04186 [1,0,0,0,0,0|1,0,0]=2 214 B7R1.3 c1ccc(cc1)S TS04213 [1,0,0,0,0,0|0,1,0]=2 215 B7R1.3 c1ccc(cc1)[AsH2] TS10367 [1,0,0,0,0,0|1,0,0]=2 216 B7R1.3 c1ccc(cc1)[O-] TS31486 [1,0,0,0,0,0|0,0,1]=2 217 B7R1.3 c1ccc(cc1)[O-] TS45086 [1,0,0,0,0,0|0,0,1]=2 218 B7R1.3 c1ccc(cc1)[S-] TS13286 [1,0,0,0,0,0|0,1,0]=2 219 B7R1.3 c1ccc(cc1)[S-] TS36665 [1,0,0,0,0,0|0,1,0]=2 220 B7R1.3 c1ccc(cc1)[SiH3] TS04151 [1,0,0,0,0,0|0,1,0]=2 221 B7R1.3 c1ccc(cc1)[Zn+] TS23551 [1,0,0,0,0,0|1,0,0]=2 222 B7R1.3 c1ccn(=O)cc1 TS60161 [1,0,0,0,0,0|1,0,1]=3 223 B7R1.3 c1ccnc(c1)Cl TS02148 [1,0,0,0,0,0|2,0,0]=3 224 B7R1.3 c1ccnc(c1)F TS60290 [1,0,0,0,0,0|2,0,0]=3 225 B7R1.3 c1ccnc(c1)I TS01085 [1,0,0,0,0,0|2,0,0]=3 226 B7R1.3 c1ccnc(c1)N TS03671 [1,0,0,0,0,0|2,0,0]=3 227 B7R1.3 c1ccnc(c1)O TS03693 [1,0,0,0,0,0|1,0,0]=2 228 B7R1.3 c1ccnc(c1)S TS31885 [1,0,0,0,0,0|1,1,0]=3 229 B7R1.3 c1ccnc(c1)[Zn+] TS50356 [1,0,0,0,0,0|2,0,0]=3 230 B7R1.3 c1ccoc(=O)c1 TS03711 [1,0,0,0,0,0|1,0,1]=3 231 B7R1.3 c1cn(=O)ccn1 TS03715 [1,0,0,0,0,0|2,0,1]=4 232 B7R1.3 c1cnc(cn1)Br TS00861 [1,0,0,0,0,0|3,0,0]=4 233 B7R1.3 c1cnc(cn1)Cl TS00954 [1,0,0,0,0,0|3,0,0]=4 234 B7R1.3 c1cnc(cn1)F TS01036 [1,0,0,0,0,0|3,0,0]=4 235 B7R1.3 c1cnc(cn1)N TS00818 [1,0,0,0,0,0|3,0,0]=4 236 B7R1.3 c1cnc(cn1)O TS55403 [1,0,0,0,0,0|2,0,0]=3 237 B7R1.3 c1cnc(cn1)S TS04306 [1,0,0,0,0,0|2,1,0]=4 238 B7R1.3 c1cnc(nc1)Br TS00866 [1,0,0,0,0,0|3,0,0]=4 239 B7R1.3 c1cnc(nc1)Cl TS00959 [1,0,0,0,0,0|3,0,0]=4 240 B7R1.3 c1cnc(nc1)Cl TS00963 [1,0,0,0,0,0|3,0,0]=4 241 B7R1.3 c1cnc(nc1)I TS38910 [1,0,0,0,0,0|3,0,0]=4 242 B7R1.3 c1cnc(nc1)N TS00821 [1,0,0,0,0,0|3,0,0]=4 243 B7R1.3 c1cnc(nc1)O TS13789 [1,0,0,0,0,0|2,0,0]=3 244 B7R1.3 c1cnc(nc1)O TS55405 [1,0,0,0,0,0|2,0,0]=3 245 B7R1.3 c1cnc(nc1)O TS55406 [1,0,0,0,0,0|2,0,0]=3 246 B7R1.3 c1cnc(nc1)S TS55424 [1,0,0,0,0,0|2,1,0]=4 247 B7R1.3 c1cnccc1Br TS57179 [1,0,0,0,0,0|2,0,0]=3 248 B7R1.3 c1cnccc1Cl TS09693 [1,0,0,0,0,0|2,0,0]=3 249 B7R1.3 c1cnccc1I TS09722 [1,0,0,0,0,0|2,0,0]=3 250 B7R1.3 c1cnccc1N TS70921 [1,0,0,0,0,0|2,0,0]=3 251 B7R1.3 c1cnccc1O TS87252 [1,0,0,0,0,0|1,0,0]=2 252 B7R1.3 c1cnccc1S TS31884 [1,0,0,0,0,0|1,1,0]=3 253 B7R1.3 c1cncnc1Br TS09614 [1,0,0,0,0,0|3,0,0]=4 254 B7R1.3 c1cncnc1Cl TS71077 [1,0,0,0,0,0|3,0,0]=4 255 B7R1.3 c1cncnc1Cl TS86366 [1,0,0,0,0,0|3,0,0]=4 256 B7R1.3 c1cncnc1N TS70922 [1,0,0,0,0,0|3,0,0]=4 257 B7R1.3 c1cncnc1O TS03137 [1,0,0,0,0,0|2,0,0]=3 258 B7R1.3 c1cncnc1O TS15021 [1,0,0,0,0,0|2,0,0]=3 259 B7R1.3 c1cncnc1O TS16881 [1,0,0,0,0,0|2,0,0]=3 260 B7R1.3 c1cnncc1Br TS59608 [1,0,0,0,0,0|3,0,0]=4 261 B7R1.3 c1cnncc1N TS70920 [1,0,0,0,0,0|3,0,0]=4 262 B7R1.3 c1cnncc1N TS92859 [1,0,0,0,0,0|3,0,0]=4 263 B7R1.3 c1cnncc1O TS03136 [1,0,0,0,0,0|2,0,0]=3 264 B7R1.3 c1coccc1=O TS39928 [1,0,0,0,0,0|1,0,1]=3 265 B9R1.1 C#Cc1ccc(cc1)Br TS39997 [0,1,0,0,0,0|1,0,1]=3 266 B9R1.1 C#Cc1ccc(cc1)Cl TS46931 [0,1,0,0,0,0|1,0,1]=3 267 B9R1.1 C#Cc1ccc(cc1)F TS07664 [0,1,0,0,0,0|1,0,1]=3 268 B9R1.1 C#Cc1ccc(cc1)N TS04675 [0,1,0,0,0,0|1,0,1]=3 269 B9R1.1 C#Cc1ccc(cc1)O TS71112 [0,1,0,0,0,0|0,0,1]=2 270 B9R1.1 C#Cc1ccc(cn1)Br TS14869 [0,1,0,0,0,0|2,0,1]=4 271 B9R1.1 C#Cc1ccc(cn1)F TS04857 [0,1,0,0,0,0|2,0,1]=4 272 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [0,1,0,0,0,0|1,0,1]=3 273 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [0,1,0,0,0,0|1,0,1]=3 274 B9R1.1 C=Cc1ccc(cc1)F TS32505 [0,1,0,0,0,0|1,0,1]=3 275 B9R1.1 C=Cc1ccc(cc1)N TS04791 [0,1,0,0,0,0|1,0,1]=3 276 B9R1.1 C=Cc1ccc(cc1)O TS71308 [0,1,0,0,0,0|0,0,1]=2 277 B9R1.1 CCc1ccc(cc1)Br TS01944 [0,1,0,0,0,0|1,0,0]=2 278 B9R1.1 CCc1ccc(cc1)Cl TS37449 [0,1,0,0,0,0|1,0,0]=2 279 B9R1.1 CCc1ccc(cc1)F TS05030 [0,1,0,0,0,0|1,0,0]=2 280 B9R1.1 CCc1ccc(cc1)I TS25158 [0,1,0,0,0,0|1,0,0]=2 281 B9R1.1 CCc1ccc(cc1)N TS04870 [0,1,0,0,0,0|1,0,0]=2 282 B9R1.1 CCc1ccc(cc1)O TS04905 [0,1,0,0,0,0|0,0,0]=1 283 B9R1.1 CCc1ccc(cc1)S TS06298 [0,1,0,0,0,0|0,1,0]=2 284 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [0,1,0,0,0,0|1,0,0]=2 285 B9R1.1 CCc1ccc(nc1)C TS32477 [0,1,0,0,0,0|2,0,0]=3 286 B9R1.1 CCc1ccc(nc1)O TS04959 [0,1,0,0,0,0|1,0,0]=2 287 B9R1.1 CCc1cnc(nc1)Cl TS55238 [0,1,0,0,0,0|3,0,0]=4 288 B9R1.1 CCc1cnc(nc1)N TS03294 [0,1,0,0,0,0|3,0,0]=4 289 B9R1.1 CCc1ncc(cn1)N TS86011 [0,1,0,0,0,0|3,0,0]=4 290 B9R1.1 CN1C=CC(=CN1)CN TS89058 [0,1,0,0,0,0|3,0,0]=4 291 B9R1.1 CNc1ccc(cc1)Br TS48830 [0,1,0,0,0,0|1,0,0]=2 292 B9R1.1 CNc1ccc(cc1)Cl TS37534 [0,1,0,0,0,0|1,0,0]=2 293 B9R1.1 CNc1ccc(cc1)F TS36055 [0,1,0,0,0,0|1,0,0]=2 294 B9R1.1 CNc1ccc(cc1)I TS32640 [0,1,0,0,0,0|1,0,0]=2 295 B9R1.1 CNc1ccc(cc1)N TS04921 [0,1,0,0,0,0|1,0,0]=2 296 B9R1.1 CNc1ccc(cc1)N TS17998 [0,1,0,0,0,0|1,0,0]=2 297 B9R1.1 CNc1ccc(cc1)O TS04963 [0,1,0,0,0,0|0,0,0]=1 298 B9R1.1 CNc1ccc(cc1)O TS78698 [0,1,0,0,0,0|0,0,0]=1 299 B9R1.1 CNc1ccc(nc1)Br TS49023 [0,1,0,0,0,0|2,0,0]=3 300 B9R1.1 CNc1ncc(cn1)Br TS08700 [0,1,0,0,0,0|3,0,0]=4 301 B9R1.1 COc1ccc(cc1)Cl TS37682 [0,1,0,0,0,0|1,0,0]=2 302 B9R1.1 COc1ccc(cc1)F TS32969 [0,1,0,0,0,0|1,0,0]=2 303 B9R1.1 COc1ccc(cc1)I TS59516 [0,1,0,0,0,0|1,0,0]=2 304 B9R1.1 COc1ccc(cc1)N TS01634 [0,1,0,0,0,0|1,0,0]=2 305 B9R1.1 COc1ccc(cc1)N TS11193 [0,1,0,0,0,0|1,0,0]=2 306 B9R1.1 COc1ccc(cc1)N TS93025 [0,1,0,0,0,0|1,0,0]=2 307 B9R1.1 COc1ccc(cc1)O TS02083 [0,1,0,0,0,0|0,0,0]=1 308 B9R1.1 COc1ccc(cc1)S TS06486 [0,1,0,0,0,0|0,1,0]=2 309 B9R1.1 COc1ccc(cc1)[Zn+] TS74539 [0,1,0,0,0,0|1,0,0]=2 310 B9R1.1 COc1ccc(cn1)Br TS09790 [0,1,0,0,0,0|2,0,0]=3 311 B9R1.1 COc1ccc(cn1)Cl TS71503 [0,1,0,0,0,0|2,0,0]=3 312 B9R1.1 COc1ccc(cn1)F TS71544 [0,1,0,0,0,0|2,0,0]=3 313 B9R1.1 COc1ccc(cn1)I TS01075 [0,1,0,0,0,0|2,0,0]=3 314 B9R1.1 COc1ccc(cn1)N TS05017 [0,1,0,0,0,0|2,0,0]=3 315 B9R1.1 COc1ccc(cn1)O TS71568 [0,1,0,0,0,0|1,0,0]=2 316 B9R1.1 COc1ccc(nc1)Br TS08354 [0,1,0,0,0,0|2,0,0]=3 317 B9R1.1 COc1ccc(nc1)Cl TS00910 [0,1,0,0,0,0|2,0,0]=3 318 B9R1.1 COc1ccc(nc1)N TS47440 [0,1,0,0,0,0|2,0,0]=3 319 B9R1.1 COc1ccc(nn1)Cl TS02707 [0,1,0,0,0,0|3,0,0]=4 320 B9R1.1 COc1ccc(nn1)N TS65871 [0,1,0,0,0,0|3,0,0]=4 321 B9R1.1 COc1ccn(=O)cc1 TS71219 [0,1,0,0,0,0|1,0,1]=3 322 B9R1.1 COc1cnc(cn1)Br TS08353 [0,1,0,0,0,0|3,0,0]=4 323 B9R1.1 COc1cnc(cn1)Cl TS40268 [0,1,0,0,0,0|3,0,0]=4 324 B9R1.1 COc1cnc(cn1)N TS47439 [0,1,0,0,0,0|3,0,0]=4 325 B9R1.1 COc1cnc(nc1)Br TS88266 [0,1,0,0,0,0|3,0,0]=4 326 B9R1.1 COc1cnc(nc1)Cl TS00911 [0,1,0,0,0,0|3,0,0]=4 327 B9R1.1 COc1cnc(nc1)N TS90642 [0,1,0,0,0,0|3,0,0]=4 328 B9R1.1 COc1ncc(cn1)Br TS09791 [0,1,0,0,0,0|3,0,0]=4 329 B9R1.1 COc1ncc(cn1)N TS55434 [0,1,0,0,0,0|3,0,0]=4 330 B9R1.1 CSc1ccc(cc1)Br TS09618 [0,1,0,0,0,0|1,0,0]=2 331 B9R1.1 CSc1ccc(cc1)Cl TS42001 [0,1,0,0,0,0|1,0,0]=2 332 B9R1.1 CSc1ccc(cc1)F TS06687 [0,1,0,0,0,0|1,0,0]=2 333 B9R1.1 CSc1ccc(cc1)I TS27986 [0,1,0,0,0,0|1,0,0]=2 334 B9R1.1 CSc1ccc(cc1)N TS06394 [0,1,0,0,0,0|1,0,0]=2 335 B9R1.1 CSc1ccc(cc1)O TS37396 [0,1,0,0,0,0|0,0,0]=1 336 B9R1.1 CSc1ccc(cc1)S TS41710 [0,1,0,0,0,0|0,1,0]=2 337 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [0,1,0,0,0,0|1,0,0]=2 338 B9R1.1 CSc1ccc(cn1)Br TS71433 [0,1,0,0,0,0|2,0,0]=3 339 B9R1.1 CSc1ccc(nc1)N TS37399 [0,1,0,0,0,0|2,0,0]=3 340 B9R1.1 CSc1ncc(cn1)Br TS38756 [0,1,0,0,0,0|3,0,0]=4 341 B9R1.1 C[n+]1ccc(cc1)C#N TS62240 [0,1,0,0,0,0|2,0,0]=3 342 B9R1.1 Cc1ccc(cc1)C#C TS32874 [0,1,0,0,0,0|1,0,0]=2 343 B9R1.1 Cc1ccc(cc1)C#N TS04679 [0,1,0,0,0,0|1,0,0]=2 344 B9R1.1 Cc1ccc(cc1)C=C TS71237 [0,1,0,0,0,0|1,0,0]=2 345 B9R1.1 Cc1ccc(cc1)C=O TS09079 [0,1,0,0,0,0|0,0,1]=2 346 B9R1.1 Cc1ccc(cc1)CBr TS03170 [0,1,0,0,0,0|1,0,0]=2 347 B9R1.1 Cc1ccc(cc1)CCl TS37455 [0,1,0,0,0,0|1,0,0]=2 348 B9R1.1 Cc1ccc(cc1)CN TS32473 [0,1,0,0,0,0|1,0,0]=2 349 B9R1.1 Cc1ccc(cc1)CO TS04902 [0,1,0,0,0,0|0,0,0]=1 350 B9R1.1 Cc1ccc(cc1)CS TS06300 [0,1,0,0,0,0|0,1,0]=2 351 B9R1.1 Cc1ccc(cc1)NC TS32470 [0,1,0,0,0,0|1,0,0]=2 352 B9R1.1 Cc1ccc(cc1)NN TS01655 [0,1,0,0,0,0|1,0,0]=2 353 B9R1.1 Cc1ccc(cc1)NN TS23082 [0,1,0,0,0,0|1,0,0]=2 354 B9R1.1 Cc1ccc(cc1)OC TS04894 [0,1,0,0,0,0|0,0,0]=1 355 B9R1.1 Cc1ccc(cc1)SC TS71244 [0,1,0,0,0,0|0,1,0]=2 356 B9R1.1 Cc1ccc(cc1)[Hg]Cl TS77673 [0,1,0,0,0,0|1,0,0]=2 357 B9R1.1 Cc1ccc(cc1)[Mg]Cl TS40955 [0,1,0,0,0,0|1,0,0]=2 358 B9R1.1 Cc1ccc(cn1)C#N TS03281 [0,1,0,0,0,0|2,0,0]=3 359 B9R1.1 Cc1ccc(cn1)C=C TS55464 [0,1,0,0,0,0|2,0,0]=3 360 B9R1.1 Cc1ccc(cn1)C=O TS01266 [0,1,0,0,0,0|1,0,1]=3 361 B9R1.1 Cc1ccc(cn1)CN TS88042 [0,1,0,0,0,0|2,0,0]=3 362 B9R1.1 Cc1ccc(cn1)NN TS32994 [0,1,0,0,0,0|2,0,0]=3 363 B9R1.1 Cc1ccc(cn1)NN TS94799 [0,1,0,0,0,0|2,0,0]=3 364 B9R1.1 Cc1ccc(cn1)OC TS04979 [0,1,0,0,0,0|1,0,0]=2 365 B9R1.1 Cc1ccc(nc1)C#N TS55297 [0,1,0,0,0,0|2,0,0]=3 366 B9R1.1 Cc1ccc(nc1)C=O TS01160 [0,1,0,0,0,0|1,0,1]=3 367 B9R1.1 Cc1ccc(nc1)CN TS08057 [0,1,0,0,0,0|2,0,0]=3 368 B9R1.1 Cc1ccc(nn1)C#N TS88312 [0,1,0,0,0,0|3,0,0]=4 369 B9R1.1 Cc1ccc(nn1)CN TS87880 [0,1,0,0,0,0|3,0,0]=4 370 B9R1.1 Cc1cnc(cn1)C#N TS01162 [0,1,0,0,0,0|3,0,0]=4 371 B9R1.1 Cc1cnc(cn1)C=C TS04818 [0,1,0,0,0,0|3,0,0]=4 372 B9R1.1 Cc1cnc(cn1)C=O TS88939 [0,1,0,0,0,0|2,0,1]=4 373 B9R1.1 Cc1cnc(cn1)CCl TS85706 [0,1,0,0,0,0|3,0,0]=4 374 B9R1.1 Cc1cnc(cn1)CN TS08244 [0,1,0,0,0,0|3,0,0]=4 375 B9R1.1 Cc1cnc(nc1)C#N TS90958 [0,1,0,0,0,0|3,0,0]=4 376 B9R1.1 Cc1cnc(nc1)C=O TS90871 [0,1,0,0,0,0|2,0,1]=4 377 B9R1.1 Cc1cnc(nc1)CCl TS87948 [0,1,0,0,0,0|3,0,0]=4 378 B9R1.1 Cc1cnc(nc1)CCl TS90870 [0,1,0,0,0,0|3,0,0]=4 379 B9R1.1 Cc1cnc(nc1)CN TS88592 [0,1,0,0,0,0|3,0,0]=4 380 B9R1.1 Cc1cnc(nc1)CO TS88936 [0,1,0,0,0,0|2,0,0]=3 381 B9R1.1 Cc1ncc(cn1)C#N TS88469 [0,1,0,0,0,0|3,0,0]=4 382 B9R1.1 Cc1ncc(cn1)C=O TS08763 [0,1,0,0,0,0|2,0,1]=4 383 B9R1.1 Cc1ncc(cn1)CCl TS88571 [0,1,0,0,0,0|3,0,0]=4 384 B9R1.1 Cc1ncc(cn1)CN TS86706 [0,1,0,0,0,0|3,0,0]=4 385 B9R1.1 Cc1ncc(cn1)CO TS55462 [0,1,0,0,0,0|2,0,0]=3 386 B9R1.1 [C-]#[N+]c1ccc(cc1)Br TS14866 [0,1,0,0,0,0|1,0,1]=3 387 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl TS37137 [0,1,0,0,0,0|1,0,1]=3 388 B9R1.1 [C-]#[N+]c1ccc(cc1)F TS04858 [0,1,0,0,0,0|1,0,1]=3 389 B9R1.1 c1c(cnc(n1)CCl)Br TS86319 [0,1,0,0,0,0|3,0,0]=4 390 B9R1.1 c1c(cnc(n1)CCl)Cl TS88123 [0,1,0,0,0,0|3,0,0]=4 391 B9R1.1 c1c(cnc(n1)CCl)F TS85772 [0,1,0,0,0,0|3,0,0]=4 392 B9R1.1 c1c(cnc(n1)CN)Br TS87860 [0,1,0,0,0,0|3,0,0]=4 393 B9R1.1 c1c(cnc(n1)CN)Cl TS91236 [0,1,0,0,0,0|3,0,0]=4 394 B9R1.1 c1c(cnc(n1)CN)F TS90934 [0,1,0,0,0,0|3,0,0]=4 395 B9R1.1 c1c(cnc(n1)CO)Br TS87154 [0,1,0,0,0,0|3,0,0]=4 396 B9R1.1 c1c(cnc(n1)CO)Cl TS90027 [0,1,0,0,0,0|3,0,0]=4 397 B9R1.1 c1c(cnc(n1)CO)F TS90129 [0,1,0,0,0,0|3,0,0]=4 398 B9R1.1 c1c(cnc(n1)Cl)CCl TS86318 [0,1,0,0,0,0|3,0,0]=4 399 B9R1.1 c1c(cnc(n1)Cl)CN TS91652 [0,1,0,0,0,0|3,0,0]=4 400 B9R1.1 c1c(cnc(n1)Cl)CO TS87546 [0,1,0,0,0,0|3,0,0]=4 401 B9R1.1 c1c(cnc(n1)N)CCl TS00776 [0,1,0,0,0,0|3,0,0]=4 402 B9R1.1 c1c(cnc(n1)N)CO TS88930 [0,1,0,0,0,0|3,0,0]=4 403 B9R1.1 c1c(ncc(n1)Cl)CO TS88145 [0,1,0,0,0,0|3,0,0]=4 404 B9R1.1 c1cc(=O)[nH]cc1CN TS71378 [0,1,0,0,0,0|1,0,1]=3 405 B9R1.1 c1cc(=O)[nH]cc1CO TS03336 [0,1,0,0,0,0|1,0,1]=3 406 B9R1.1 c1cc(ccc1C#N)Br TS09595 [0,1,0,0,0,0|1,0,1]=3 407 B9R1.1 c1cc(ccc1C#N)Cl TS33152 [0,1,0,0,0,0|1,0,1]=3 408 B9R1.1 c1cc(ccc1C#N)F TS93132 [0,1,0,0,0,0|1,0,1]=3 409 B9R1.1 c1cc(ccc1C#N)I TS09717 [0,1,0,0,0,0|1,0,1]=3 410 B9R1.1 c1cc(ccc1C#N)N TS70912 [0,1,0,0,0,0|1,0,1]=3 411 B9R1.1 c1cc(ccc1C#N)O TS03063 [0,1,0,0,0,0|0,0,1]=2 412 B9R1.1 c1cc(ccc1C#N)S TS03071 [0,1,0,0,0,0|0,1,1]=3 413 B9R1.1 c1cc(ccc1C#N)[Zn+] TS27647 [0,1,0,0,0,0|1,0,1]=3 414 B9R1.1 c1cc(ccc1C=O)Br TS09589 [0,1,0,0,0,0|1,0,1]=3 415 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [0,1,0,0,0,0|1,0,1]=3 416 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [0,1,0,0,0,0|1,0,1]=3 417 B9R1.1 c1cc(ccc1C=O)F TS03079 [0,1,0,0,0,0|1,0,1]=3 418 B9R1.1 c1cc(ccc1C=O)I TS71194 [0,1,0,0,0,0|1,0,1]=3 419 B9R1.1 c1cc(ccc1C=O)N TS08868 [0,1,0,0,0,0|1,0,1]=3 420 B9R1.1 c1cc(ccc1C=O)O TS01630 [0,1,0,0,0,0|0,0,1]=2 421 B9R1.1 c1cc(ccc1C=O)O TS42180 [0,1,0,0,0,0|0,0,1]=2 422 B9R1.1 c1cc(ccc1CBr)Br TS09598 [0,1,0,0,0,0|1,0,0]=2 423 B9R1.1 c1cc(ccc1CBr)Cl TS46748 [0,1,0,0,0,0|1,0,0]=2 424 B9R1.1 c1cc(ccc1CBr)F TS03088 [0,1,0,0,0,0|1,0,0]=2 425 B9R1.1 c1cc(ccc1CBr)I TS09718 [0,1,0,0,0,0|1,0,0]=2 426 B9R1.1 c1cc(ccc1CBr)O TS16899 [0,1,0,0,0,0|0,0,0]=1 427 B9R1.1 c1cc(ccc1CCl)Br TS16774 [0,1,0,0,0,0|1,0,0]=2 428 B9R1.1 c1cc(ccc1CCl)Cl TS39591 [0,1,0,0,0,0|1,0,0]=2 429 B9R1.1 c1cc(ccc1CCl)F TS07044 [0,1,0,0,0,0|1,0,0]=2 430 B9R1.1 c1cc(ccc1CN)Br TS09597 [0,1,0,0,0,0|1,0,0]=2 431 B9R1.1 c1cc(ccc1CN)Br TS60052 [0,1,0,0,0,0|1,0,0]=2 432 B9R1.1 c1cc(ccc1CN)Cl TS33154 [0,1,0,0,0,0|1,0,0]=2 433 B9R1.1 c1cc(ccc1CN)Cl TS71062 [0,1,0,0,0,0|1,0,0]=2 434 B9R1.1 c1cc(ccc1CN)F TS03087 [0,1,0,0,0,0|1,0,0]=2 435 B9R1.1 c1cc(ccc1CN)F TS42359 [0,1,0,0,0,0|1,0,0]=2 436 B9R1.1 c1cc(ccc1CN)I TS07803 [0,1,0,0,0,0|1,0,0]=2 437 B9R1.1 c1cc(ccc1CN)I TS73917 [0,1,0,0,0,0|1,0,0]=2 438 B9R1.1 c1cc(ccc1CN)N TS32510 [0,1,0,0,0,0|1,0,0]=2 439 B9R1.1 c1cc(ccc1CN)O TS38524 [0,1,0,0,0,0|0,0,0]=1 440 B9R1.1 c1cc(ccc1CN)O TS71170 [0,1,0,0,0,0|0,0,0]=1 441 B9R1.1 c1cc(ccc1CO)Br TS16773 [0,1,0,0,0,0|1,0,0]=2 442 B9R1.1 c1cc(ccc1CO)Cl TS37684 [0,1,0,0,0,0|1,0,0]=2 443 B9R1.1 c1cc(ccc1CO)F TS36109 [0,1,0,0,0,0|1,0,0]=2 444 B9R1.1 c1cc(ccc1CO)I TS02234 [0,1,0,0,0,0|1,0,0]=2 445 B9R1.1 c1cc(ccc1CO)N TS70914 [0,1,0,0,0,0|1,0,0]=2 446 B9R1.1 c1cc(ccc1CO)O TS46479 [0,1,0,0,0,0|0,0,0]=1 447 B9R1.1 c1cc(ccc1CO)S TS37388 [0,1,0,0,0,0|0,1,0]=2 448 B9R1.1 c1cc(ccc1CS)Br TS19522 [0,1,0,0,0,0|1,0,0]=2 449 B9R1.1 c1cc(ccc1CS)Cl TS42005 [0,1,0,0,0,0|1,0,0]=2 450 B9R1.1 c1cc(ccc1CS)F TS06684 [0,1,0,0,0,0|1,0,0]=2 451 B9R1.1 c1cc(ccc1C[Zn+])Br TS76764 [0,1,0,0,0,0|1,0,0]=2 452 B9R1.1 c1cc(ccc1F)[Mg]Br TS16672 [0,1,0,0,0,0|2,0,0]=3 453 B9R1.1 c1cc(ccc1N=O)O TS32551 [0,1,0,0,0,0|1,0,0]=2 454 B9R1.1 c1cc(ccc1NN)Br TS50374 [0,1,0,0,0,0|2,0,0]=3 455 B9R1.1 c1cc(ccc1NN)Cl TS06801 [0,1,0,0,0,0|2,0,0]=3 456 B9R1.1 c1cc(ccc1NN)Cl TS67272 [0,1,0,0,0,0|2,0,0]=3 457 B9R1.1 c1cc(ccc1NN)I TS53552 [0,1,0,0,0,0|2,0,0]=3 458 B9R1.1 c1cc(ccc1[Mg]Br)Cl TS21953 [0,1,0,0,0,0|2,0,0]=3 459 B9R1.1 c1cc(ccc1[Mg]Cl)Cl TS45365 [0,1,0,0,0,0|2,0,0]=3 460 B9R1.1 c1cc(ccc1[N+]#N)Br TS30906 [0,1,0,0,0,0|2,0,0]=3 461 B9R1.1 c1cc(ncc1Br)C#N TS71416 [0,1,0,0,0,0|2,0,1]=4 462 B9R1.1 c1cc(ncc1Br)C=O TS71427 [0,1,0,0,0,0|2,0,1]=4 463 B9R1.1 c1cc(ncc1Br)CO TS71442 [0,1,0,0,0,0|2,0,0]=3 464 B9R1.1 c1cc(ncc1Br)NN TS71429 [0,1,0,0,0,0|3,0,0]=4 465 B9R1.1 c1cc(ncc1C#N)Br TS55125 [0,1,0,0,0,0|2,0,1]=4 466 B9R1.1 c1cc(ncc1C#N)Cl TS55237 [0,1,0,0,0,0|2,0,1]=4 467 B9R1.1 c1cc(ncc1C#N)F TS04893 [0,1,0,0,0,0|2,0,1]=4 468 B9R1.1 c1cc(ncc1C#N)O TS39788 [0,1,0,0,0,0|1,0,1]=3 469 B9R1.1 c1cc(ncc1C=O)Br TS16478 [0,1,0,0,0,0|2,0,1]=4 470 B9R1.1 c1cc(ncc1C=O)Cl TS85443 [0,1,0,0,0,0|2,0,1]=4 471 B9R1.1 c1cc(ncc1C=O)F TS01040 [0,1,0,0,0,0|2,0,1]=4 472 B9R1.1 c1cc(ncc1C=O)N TS87752 [0,1,0,0,0,0|2,0,1]=4 473 B9R1.1 c1cc(ncc1C=O)O TS55611 [0,1,0,0,0,0|1,0,1]=3 474 B9R1.1 c1cc(ncc1CBr)Cl TS71318 [0,1,0,0,0,0|2,0,0]=3 475 B9R1.1 c1cc(ncc1CBr)F TS90058 [0,1,0,0,0,0|2,0,0]=3 476 B9R1.1 c1cc(ncc1CCl)Cl TS47256 [0,1,0,0,0,0|2,0,0]=3 477 B9R1.1 c1cc(ncc1CCl)F TS86320 [0,1,0,0,0,0|2,0,0]=3 478 B9R1.1 c1cc(ncc1CN)Cl TS71379 [0,1,0,0,0,0|2,0,0]=3 479 B9R1.1 c1cc(ncc1CN)F TS87785 [0,1,0,0,0,0|2,0,0]=3 480 B9R1.1 c1cc(ncc1CO)Br TS22929 [0,1,0,0,0,0|2,0,0]=3 481 B9R1.1 c1cc(ncc1CO)Cl TS55248 [0,1,0,0,0,0|2,0,0]=3 482 B9R1.1 c1cc(ncc1CO)F TS85126 [0,1,0,0,0,0|2,0,0]=3 483 B9R1.1 c1cc(ncc1CO)N TS46564 [0,1,0,0,0,0|2,0,0]=3 484 B9R1.1 c1cc(ncc1Cl)C#N TS09833 [0,1,0,0,0,0|2,0,1]=4 485 B9R1.1 c1cc(ncc1Cl)C=O TS71489 [0,1,0,0,0,0|2,0,1]=4 486 B9R1.1 c1cc(ncc1Cl)CCl TS87444 [0,1,0,0,0,0|2,0,0]=3 487 B9R1.1 c1cc(ncc1F)C=O TS60090 [0,1,0,0,0,0|2,0,1]=4 488 B9R1.1 c1cc(ncc1F)CO TS88541 [0,1,0,0,0,0|2,0,0]=3 489 B9R1.1 c1cc(ncc1N)C#N TS65869 [0,1,0,0,0,0|2,0,1]=4 490 B9R1.1 c1cc(ncc1N)CN TS32573 [0,1,0,0,0,0|2,0,0]=3 491 B9R1.1 c1cc(ncc1O)C#N TS55294 [0,1,0,0,0,0|1,0,1]=3 492 B9R1.1 c1cc(ncc1O)C=O TS03343 [0,1,0,0,0,0|1,0,1]=3 493 B9R1.1 c1cc(nnc1CCl)Cl TS86323 [0,1,0,0,0,0|3,0,0]=4 494 B9R1.1 c1cc(nnc1CO)Cl TS87479 [0,1,0,0,0,0|3,0,0]=4 495 B9R1.1 c1cn(=O)ccc1C#N TS32414 [0,1,0,0,0,0|1,0,2]=4 496 B9R1.1 c1cn(=O)ccc1C=O TS32549 [0,1,0,0,0,0|1,0,2]=4 497 B9R1.1 c1cn(=O)ccc1CO TS59701 [0,1,0,0,0,0|1,0,1]=3 498 B9R1.69 C1=CC(=O)C(=CC1=O)Br TS15751 [0,1,0,0,0,0|1,0,1]=3 499 B9R1.69 C1=CC(=O)C(=CC1=O)Cl TS37678 [0,1,0,0,0,0|1,0,1]=3 500 B9R1.69 CC1=CC(=O)C=CC1=O TS32490 [0,1,0,0,0,0|1,0,1]=3 501 B9R1.69 Cc1[nH]cc(c(=O)n1)N TS05092 [0,1,0,0,0,0|3,0,0]=4 502 B9R1.69 Cc1c(cc(cn1)Br)Br TS02571 [0,1,0,0,0,0|2,0,0]=3 503 B9R1.69 Cc1c(cc(cn1)Br)Cl TS89257 [0,1,0,0,0,0|2,0,0]=3 504 B9R1.69 Cc1c(cc(cn1)Br)N TS49019 [0,1,0,0,0,0|2,0,0]=3 505 B9R1.69 Cc1c(cc(cn1)Br)O TS15906 [0,1,0,0,0,0|2,0,0]=3 506 B9R1.69 Cc1c(cc(cn1)Cl)N TS88641 [0,1,0,0,0,0|2,0,0]=3 507 B9R1.69 Cc1c(cc(cn1)N)Br TS03226 [0,1,0,0,0,0|2,0,0]=3 508 B9R1.69 Cc1c(ccc(n1)Br)Br TS47246 [0,1,0,0,0,0|3,0,0]=4 509 B9R1.69 Cc1c(ccc(n1)Br)F TS51005 [0,1,0,0,0,0|3,0,0]=4 510 B9R1.69 Cc1c(ccc(n1)Br)F TS85438 [0,1,0,0,0,0|3,0,0]=4 511 B9R1.69 Cc1c(ccc(n1)Br)N TS71351 [0,1,0,0,0,0|3,0,0]=4 512 B9R1.69 Cc1c(ccc(n1)Cl)Br TS09467 [0,1,0,0,0,0|3,0,0]=4 513 B9R1.69 Cc1c(ccc(n1)Cl)F TS55571 [0,1,0,0,0,0|3,0,0]=4 514 B9R1.69 Cc1c(ccc(n1)Cl)I TS28512 [0,1,0,0,0,0|3,0,0]=4 515 B9R1.69 Cc1c(ccc(n1)Cl)N TS65867 [0,1,0,0,0,0|3,0,0]=4 516 B9R1.69 Cc1c(ccc(n1)F)Br TS09469 [0,1,0,0,0,0|3,0,0]=4 517 B9R1.69 Cc1c(ccc(n1)F)I TS85259 [0,1,0,0,0,0|3,0,0]=4 518 B9R1.69 Cc1c(ccc(n1)F)N TS36112 [0,1,0,0,0,0|3,0,0]=4 519 B9R1.69 Cc1c(ccc(n1)N)Br TS47426 [0,1,0,0,0,0|3,0,0]=4 520 B9R1.69 Cc1c(ccc(n1)N)Cl TS06806 [0,1,0,0,0,0|3,0,0]=4 521 B9R1.69 Cc1c(ccc(n1)N)F TS09105 [0,1,0,0,0,0|3,0,0]=4 522 B9R1.69 Cc1c(ccc(n1)N)I TS47434 [0,1,0,0,0,0|3,0,0]=4 523 B9R1.69 Cc1c(ccc(n1)N)N TS32572 [0,1,0,0,0,0|3,0,0]=4 524 B9R1.69 Cc1c(ccc(n1)O)Br TS09470 [0,1,0,0,0,0|2,0,0]=3 525 B9R1.69 Cc1c(ccc(n1)O)N TS32613 [0,1,0,0,0,0|2,0,0]=3 526 B9R1.69 Cc1c(cnc(n1)C)N TS00641 [0,1,0,0,0,0|3,0,0]=4 527 B9R1.69 Cc1c(nc(cn1)N)Br TS50644 [0,1,0,0,0,0|3,0,0]=4 528 B9R1.69 Cc1c[nH]c(=O)[nH]c1=O TS09147 [0,1,0,0,0,0|2,0,1]=4 529 B9R1.69 Cc1c[nH]c(=O)[nH]c1=O TS36264 [0,1,0,0,0,0|2,0,1]=4 530 B9R1.69 Cc1c[nH]c(=O)nc1N TS09146 [0,1,0,0,0,0|2,0,1]=4 531 B9R1.69 Cc1c[nH]c(=O)nc1N TS42357 [0,1,0,0,0,0|2,0,1]=4 532 B9R1.69 Cc1cc(c(cn1)Br)Cl TS89287 [0,1,0,0,0,0|2,0,0]=3 533 B9R1.69 Cc1cc(c(cn1)Br)N TS09798 [0,1,0,0,0,0|2,0,0]=3 534 B9R1.69 Cc1cc(c(cn1)Cl)Cl TS02900 [0,1,0,0,0,0|2,0,0]=3 535 B9R1.69 Cc1cc(c(cn1)Cl)N TS37693 [0,1,0,0,0,0|2,0,0]=3 536 B9R1.69 Cc1cc(c(cn1)F)Cl TS07141 [0,1,0,0,0,0|2,0,0]=3 537 B9R1.69 Cc1cc(c(cn1)N)N TS01272 [0,1,0,0,0,0|2,0,0]=3 538 B9R1.69 Cc1cc(c(nc1)Br)Br TS47134 [0,1,0,0,0,0|2,0,0]=3 539 B9R1.69 Cc1cc(c(nc1)Br)Cl TS08291 [0,1,0,0,0,0|2,0,0]=3 540 B9R1.69 Cc1cc(c(nc1)Br)F TS51006 [0,1,0,0,0,0|2,0,0]=3 541 B9R1.69 Cc1cc(c(nc1)Br)I TS55993 [0,1,0,0,0,0|2,0,0]=3 542 B9R1.69 Cc1cc(c(nc1)Br)N TS55086 [0,1,0,0,0,0|2,0,0]=3 543 B9R1.69 Cc1cc(c(nc1)C)Br TS48831 [0,1,0,0,0,0|2,0,0]=3 544 B9R1.69 Cc1cc(c(nc1)C)C TS04868 [0,1,0,0,0,0|2,0,0]=3 545 B9R1.69 Cc1cc(c(nc1)Cl)Cl TS11476 [0,1,0,0,0,0|2,0,0]=3 546 B9R1.69 Cc1cc(c(nc1)Cl)F TS08396 [0,1,0,0,0,0|2,0,0]=3 547 B9R1.69 Cc1cc(c(nc1)Cl)I TS28510 [0,1,0,0,0,0|2,0,0]=3 548 B9R1.69 Cc1cc(c(nc1)Cl)N TS02676 [0,1,0,0,0,0|2,0,0]=3 549 B9R1.69 Cc1cc(c(nc1)F)Br TS16862 [0,1,0,0,0,0|2,0,0]=3 550 B9R1.69 Cc1cc(c(nc1)F)I TS02160 [0,1,0,0,0,0|2,0,0]=3 551 B9R1.69 Cc1cc(c(nc1)N)Br TS08281 [0,1,0,0,0,0|2,0,0]=3 552 B9R1.69 Cc1cc(c(nc1)N)O TS05015 [0,1,0,0,0,0|2,0,0]=3 553 B9R1.69 Cc1cc(c(nc1)O)Br TS15901 [0,1,0,0,0,0|1,0,0]=2 554 B9R1.69 Cc1cc(c(nc1)O)N TS32609 [0,1,0,0,0,0|1,0,0]=2 555 B9R1.69 Cc1cc(ccc1Br)Br TS27975 [0,1,0,0,0,0|2,0,0]=3 556 B9R1.69 Cc1cc(ccc1Br)Cl TS65377 [0,1,0,0,0,0|2,0,0]=3 557 B9R1.69 Cc1cc(ccc1Br)F TS85460 [0,1,0,0,0,0|2,0,0]=3 558 B9R1.69 Cc1cc(ccc1Br)I TS08348 [0,1,0,0,0,0|2,0,0]=3 559 B9R1.69 Cc1cc(ccc1Br)N TS09584 [0,1,0,0,0,0|2,0,0]=3 560 B9R1.69 Cc1cc(ccc1Br)O TS09587 [0,1,0,0,0,0|1,0,0]=2 561 B9R1.69 Cc1cc(ccc1Cl)Br TS39530 [0,1,0,0,0,0|2,0,0]=3 562 B9R1.69 Cc1cc(ccc1Cl)Cl TS11354 [0,1,0,0,0,0|2,0,0]=3 563 B9R1.69 Cc1cc(ccc1Cl)F TS40274 [0,1,0,0,0,0|2,0,0]=3 564 B9R1.69 Cc1cc(ccc1Cl)I TS65398 [0,1,0,0,0,0|2,0,0]=3 565 B9R1.69 Cc1cc(ccc1Cl)N TS09644 [0,1,0,0,0,0|2,0,0]=3 566 B9R1.69 Cc1cc(ccc1Cl)O TS09645 [0,1,0,0,0,0|1,0,0]=2 567 B9R1.69 Cc1cc(ccc1F)Br TS16784 [0,1,0,0,0,0|2,0,0]=3 568 B9R1.69 Cc1cc(ccc1F)Cl TS65151 [0,1,0,0,0,0|2,0,0]=3 569 B9R1.69 Cc1cc(ccc1F)F TS22993 [0,1,0,0,0,0|2,0,0]=3 570 B9R1.69 Cc1cc(ccc1F)I TS65051 [0,1,0,0,0,0|2,0,0]=3 571 B9R1.69 Cc1cc(ccc1F)N TS36056 [0,1,0,0,0,0|2,0,0]=3 572 B9R1.69 Cc1cc(ccc1F)O TS71121 [0,1,0,0,0,0|1,0,0]=2 573 B9R1.69 Cc1cc(ccc1F)S TS06691 [0,1,0,0,0,0|1,1,0]=3 574 B9R1.69 Cc1cc(ccc1I)Br TS59717 [0,1,0,0,0,0|2,0,0]=3 575 B9R1.69 Cc1cc(ccc1I)Cl TS71500 [0,1,0,0,0,0|2,0,0]=3 576 B9R1.69 Cc1cc(ccc1I)F TS71539 [0,1,0,0,0,0|2,0,0]=3 577 B9R1.69 Cc1cc(ccc1I)I TS78661 [0,1,0,0,0,0|2,0,0]=3 578 B9R1.69 Cc1cc(ccc1N)Br TS23566 [0,1,0,0,0,0|2,0,0]=3 579 B9R1.69 Cc1cc(ccc1N)Br TS93925 [0,1,0,0,0,0|2,0,0]=3 580 B9R1.69 Cc1cc(ccc1N)Cl TS46376 [0,1,0,0,0,0|2,0,0]=3 581 B9R1.69 Cc1cc(ccc1N)Cl TS71019 [0,1,0,0,0,0|2,0,0]=3 582 B9R1.69 Cc1cc(ccc1N)I TS71186 [0,1,0,0,0,0|2,0,0]=3 583 B9R1.69 Cc1cc(ccc1N)N TS00178 [0,1,0,0,0,0|2,0,0]=3 584 B9R1.69 Cc1cc(ccc1N)N TS17999 [0,1,0,0,0,0|2,0,0]=3 585 B9R1.69 Cc1cc(ccc1N)N TS23083 [0,1,0,0,0,0|2,0,0]=3 586 B9R1.69 Cc1cc(ccc1N)O TS02998 [0,1,0,0,0,0|1,0,0]=2 587 B9R1.69 Cc1cc(ccc1O)Br TS01121 [0,1,0,0,0,0|1,0,0]=2 588 B9R1.69 Cc1cc(ccc1O)Cl TS32635 [0,1,0,0,0,0|1,0,0]=2 589 B9R1.69 Cc1cc(ccc1O)F TS09704 [0,1,0,0,0,0|1,0,0]=2 590 B9R1.69 Cc1cc(ccc1O)I TS53550 [0,1,0,0,0,0|1,0,0]=2 591 B9R1.69 Cc1cc(ccc1O)N TS08867 [0,1,0,0,0,0|1,0,0]=2 592 B9R1.69 Cc1cc(ccc1O)O TS32600 [0,1,0,0,0,0|1,0,0]=2 593 B9R1.69 Cc1cc(ccc1O)S TS70667 [0,1,0,0,0,0|1,0,0]=2 594 B9R1.69 Cc1cc(cnc1Br)Br TS47243 [0,1,0,0,0,0|3,0,0]=4 595 B9R1.69 Cc1cc(cnc1Br)Cl TS39092 [0,1,0,0,0,0|3,0,0]=4 596 B9R1.69 Cc1cc(cnc1Br)F TS16270 [0,1,0,0,0,0|3,0,0]=4 597 B9R1.69 Cc1cc(cnc1Br)I TS55994 [0,1,0,0,0,0|3,0,0]=4 598 B9R1.69 Cc1cc(cnc1Br)O TS15904 [0,1,0,0,0,0|2,0,0]=3 599 B9R1.69 Cc1cc(cnc1Cl)Cl TS47254 [0,1,0,0,0,0|3,0,0]=4 600 B9R1.69 Cc1cc(cnc1Cl)F TS55240 [0,1,0,0,0,0|3,0,0]=4 601 B9R1.69 Cc1cc(cnc1Cl)I TS28511 [0,1,0,0,0,0|3,0,0]=4 602 B9R1.69 Cc1cc(cnc1Cl)N TS71355 [0,1,0,0,0,0|3,0,0]=4 603 B9R1.69 Cc1cc(cnc1Cl)O TS90895 [0,1,0,0,0,0|2,0,0]=3 604 B9R1.69 Cc1cc(cnc1F)Br TS71418 [0,1,0,0,0,0|3,0,0]=4 605 B9R1.69 Cc1cc(cnc1F)Cl TS09836 [0,1,0,0,0,0|3,0,0]=4 606 B9R1.69 Cc1cc(cnc1F)I TS25995 [0,1,0,0,0,0|3,0,0]=4 607 B9R1.69 Cc1cc(cnc1F)N TS71359 [0,1,0,0,0,0|3,0,0]=4 608 B9R1.69 Cc1cc(cnc1I)Br TS55995 [0,1,0,0,0,0|3,0,0]=4 609 B9R1.69 Cc1cc(cnc1N)Br TS00769 [0,1,0,0,0,0|3,0,0]=4 610 B9R1.69 Cc1cc(cnc1N)Cl TS47374 [0,1,0,0,0,0|3,0,0]=4 611 B9R1.69 Cc1cc(cnc1N)F TS03314 [0,1,0,0,0,0|3,0,0]=4 612 B9R1.69 Cc1cc(cnc1N)I TS47433 [0,1,0,0,0,0|3,0,0]=4 613 B9R1.69 Cc1cc(cnc1N)N TS32578 [0,1,0,0,0,0|3,0,0]=4 614 B9R1.69 Cc1cc(cnc1O)Br TS01048 [0,1,0,0,0,0|2,0,0]=3 615 B9R1.69 Cc1cc(cnc1O)Cl TS06904 [0,1,0,0,0,0|2,0,0]=3 616 B9R1.69 Cc1cc(cnc1O)I TS25667 [0,1,0,0,0,0|2,0,0]=3 617 B9R1.69 Cc1cc(cnc1O)N TS05009 [0,1,0,0,0,0|2,0,0]=3 618 B9R1.69 Cc1cc(n[nH]c1=O)C TS87639 [0,1,0,0,0,0|2,0,1]=4 619 B9R1.69 Cc1cc(ncc1Br)Br TS47245 [0,1,0,0,0,0|3,0,0]=4 620 B9R1.69 Cc1cc(ncc1Br)Cl TS55229 [0,1,0,0,0,0|3,0,0]=4 621 B9R1.69 Cc1cc(ncc1Br)F TS85252 [0,1,0,0,0,0|3,0,0]=4 622 B9R1.69 Cc1cc(ncc1Br)N TS47423 [0,1,0,0,0,0|3,0,0]=4 623 B9R1.69 Cc1cc(ncc1Br)O TS50643 [0,1,0,0,0,0|2,0,0]=3 624 B9R1.69 Cc1cc(ncc1Cl)Cl TS11472 [0,1,0,0,0,0|3,0,0]=4 625 B9R1.69 Cc1cc(ncc1Cl)F TS65149 [0,1,0,0,0,0|3,0,0]=4 626 B9R1.69 Cc1cc(ncc1Cl)N TS37690 [0,1,0,0,0,0|3,0,0]=4 627 B9R1.69 Cc1cc(ncc1F)Br TS16269 [0,1,0,0,0,0|3,0,0]=4 628 B9R1.69 Cc1cc(ncc1F)Cl TS55242 [0,1,0,0,0,0|3,0,0]=4 629 B9R1.69 Cc1cc(ncc1F)N TS00784 [0,1,0,0,0,0|3,0,0]=4 630 B9R1.69 Cc1cc(ncc1I)F TS25994 [0,1,0,0,0,0|3,0,0]=4 631 B9R1.69 Cc1cc(ncc1I)N TS53553 [0,1,0,0,0,0|3,0,0]=4 632 B9R1.69 Cc1cc(ncc1N)Br TS71350 [0,1,0,0,0,0|3,0,0]=4 633 B9R1.69 Cc1cc(ncc1N)Cl TS85166 [0,1,0,0,0,0|3,0,0]=4 634 B9R1.69 Cc1cc(ncc1N)N TS32570 [0,1,0,0,0,0|3,0,0]=4 635 B9R1.69 Cc1cc(nnc1Cl)C TS90980 [0,1,0,0,0,0|3,0,0]=4 636 B9R1.69 Cc1cc(nnc1O)O TS05141 [0,1,0,0,0,0|3,0,0]=4 637 B9R1.69 Cc1cc[n+](c(c1)C)[O-] TS32562 [0,1,0,0,0,0|1,0,1]=3 638 B9R1.69 Cc1ccc(c(c1)Br)Br TS65445 [0,1,0,0,0,0|1,0,0]=2 639 B9R1.69 Cc1ccc(c(c1)Br)C TS47274 [0,1,0,0,0,0|1,0,0]=2 640 B9R1.69 Cc1ccc(c(c1)Br)Cl TS20046 [0,1,0,0,0,0|1,0,0]=2 641 B9R1.69 Cc1ccc(c(c1)Br)F TS50843 [0,1,0,0,0,0|1,0,0]=2 642 B9R1.69 Cc1ccc(c(c1)Br)I TS58697 [0,1,0,0,0,0|1,0,0]=2 643 B9R1.69 Cc1ccc(c(c1)Br)N TS08330 [0,1,0,0,0,0|1,0,0]=2 644 B9R1.69 Cc1ccc(c(c1)Br)O TS16847 [0,1,0,0,0,0|0,0,0]=1 645 B9R1.69 Cc1ccc(c(c1)Br)S TS19523 [0,1,0,0,0,0|0,1,0]=2 646 B9R1.69 Cc1ccc(c(c1)C)Br TS46909 [0,1,0,0,0,0|1,0,0]=2 647 B9R1.69 Cc1ccc(c(c1)C)C TS04828 [0,1,0,0,0,0|1,0,0]=2 648 B9R1.69 Cc1ccc(c(c1)C)Cl TS37451 [0,1,0,0,0,0|1,0,0]=2 649 B9R1.69 Cc1ccc(c(c1)C)F TS05028 [0,1,0,0,0,0|1,0,0]=2 650 B9R1.69 Cc1ccc(c(c1)C)I TS25159 [0,1,0,0,0,0|1,0,0]=2 651 B9R1.69 Cc1ccc(c(c1)C)N TS07913 [0,1,0,0,0,0|1,0,0]=2 652 B9R1.69 Cc1ccc(c(c1)C)N TS10928 [0,1,0,0,0,0|1,0,0]=2 653 B9R1.69 Cc1ccc(c(c1)C)O TS04909 [0,1,0,0,0,0|0,0,0]=1 654 B9R1.69 Cc1ccc(c(c1)C)S TS06302 [0,1,0,0,0,0|0,1,0]=2 655 B9R1.69 Cc1ccc(c(c1)C)S TS93257 [0,1,0,0,0,0|0,1,0]=2 656 B9R1.69 Cc1ccc(c(c1)Cl)Br TS20045 [0,1,0,0,0,0|1,0,0]=2 657 B9R1.69 Cc1ccc(c(c1)Cl)C TS37459 [0,1,0,0,0,0|1,0,0]=2 658 B9R1.69 Cc1ccc(c(c1)Cl)Cl TS11352 [0,1,0,0,0,0|1,0,0]=2 659 B9R1.69 Cc1ccc(c(c1)Cl)F TS60347 [0,1,0,0,0,0|1,0,0]=2 660 B9R1.69 Cc1ccc(c(c1)Cl)I TS60349 [0,1,0,0,0,0|1,0,0]=2 661 B9R1.69 Cc1ccc(c(c1)Cl)N TS55232 [0,1,0,0,0,0|1,0,0]=2 662 B9R1.69 Cc1ccc(c(c1)Cl)O TS55235 [0,1,0,0,0,0|0,0,0]=1 663 B9R1.69 Cc1ccc(c(c1)F)Br TS16767 [0,1,0,0,0,0|1,0,0]=2 664 B9R1.69 Cc1ccc(c(c1)F)C TS05029 [0,1,0,0,0,0|1,0,0]=2 665 B9R1.69 Cc1ccc(c(c1)F)Cl TS07782 [0,1,0,0,0,0|1,0,0]=2 666 B9R1.69 Cc1ccc(c(c1)F)F TS60321 [0,1,0,0,0,0|1,0,0]=2 667 B9R1.69 Cc1ccc(c(c1)F)I TS16740 [0,1,0,0,0,0|1,0,0]=2 668 B9R1.69 Cc1ccc(c(c1)F)N TS55340 [0,1,0,0,0,0|1,0,0]=2 669 B9R1.69 Cc1ccc(c(c1)I)C TS53267 [0,1,0,0,0,0|1,0,0]=2 670 B9R1.69 Cc1ccc(c(c1)I)F TS09121 [0,1,0,0,0,0|1,0,0]=2 671 B9R1.69 Cc1ccc(c(c1)I)I TS78660 [0,1,0,0,0,0|1,0,0]=2 672 B9R1.69 Cc1ccc(c(c1)I)N TS53415 [0,1,0,0,0,0|1,0,0]=2 673 B9R1.69 Cc1ccc(c(c1)N)Br TS08357 [0,1,0,0,0,0|1,0,0]=2 674 B9R1.69 Cc1ccc(c(c1)N)C TS32478 [0,1,0,0,0,0|1,0,0]=2 675 B9R1.69 Cc1ccc(c(c1)N)Cl TS00912 [0,1,0,0,0,0|1,0,0]=2 676 B9R1.69 Cc1ccc(c(c1)N)F TS65073 [0,1,0,0,0,0|1,0,0]=2 677 B9R1.69 Cc1ccc(c(c1)N)I TS60299 [0,1,0,0,0,0|1,0,0]=2 678 B9R1.69 Cc1ccc(c(c1)N)N TS02532 [0,1,0,0,0,0|1,0,0]=2 679 B9R1.69 Cc1ccc(c(c1)N)O TS04958 [0,1,0,0,0,0|0,0,0]=1 680 B9R1.69 Cc1ccc(c(c1)N)O TS11194 [0,1,0,0,0,0|0,0,0]=1 681 B9R1.69 Cc1ccc(c(c1)O)C TS47276 [0,1,0,0,0,0|1,0,0]=2 682 B9R1.69 Cc1ccc(c(c1)O)Cl TS37680 [0,1,0,0,0,0|1,0,0]=2 683 B9R1.69 Cc1ccc(c(c1)O)F TS65415 [0,1,0,0,0,0|1,0,0]=2 684 B9R1.69 Cc1ccc(c(c1)O)N TS32560 [0,1,0,0,0,0|1,0,0]=2 685 B9R1.69 Cc1ccc(c(c1)O)O TS32594 [0,1,0,0,0,0|0,0,0]=1 686 B9R1.69 Cc1ccc(c(c1)S)C TS59929 [0,1,0,0,0,0|1,0,0]=2 687 B9R1.69 Cc1ccc(c(c1)S)S TS26110 [0,1,0,0,0,0|0,1,0]=2 688 B9R1.69 Cc1ccc(c(c1)S)S TS41709 [0,1,0,0,0,0|0,1,0]=2 689 B9R1.69 Cc1ccc(c(c1)S)S TS49681 [0,1,0,0,0,0|0,1,0]=2 690 B9R1.69 Cc1ccc(c(c1)[Zn+])C TS55968 [0,1,0,0,0,0|1,0,0]=2 691 B9R1.69 Cc1ccc(c(n1)Br)Br TS47137 [0,1,0,0,0,0|2,0,0]=3 692 B9R1.69 Cc1ccc(c(n1)Br)F TS08296 [0,1,0,0,0,0|2,0,0]=3 693 B9R1.69 Cc1ccc(c(n1)Br)N TS02622 [0,1,0,0,0,0|2,0,0]=3 694 B9R1.69 Cc1ccc(c(n1)Br)O TS15902 [0,1,0,0,0,0|1,0,0]=2 695 B9R1.69 Cc1ccc(c(n1)C)Br TS60331 [0,1,0,0,0,0|2,0,0]=3 696 B9R1.69 Cc1ccc(c(n1)C)N TS39700 [0,1,0,0,0,0|2,0,0]=3 697 B9R1.69 Cc1ccc(c(n1)C)O TS47319 [0,1,0,0,0,0|1,0,0]=2 698 B9R1.69 Cc1ccc(c(n1)Cl)Br TS16856 [0,1,0,0,0,0|2,0,0]=3 699 B9R1.69 Cc1ccc(c(n1)Cl)Cl TS11475 [0,1,0,0,0,0|2,0,0]=3 700 B9R1.69 Cc1ccc(c(n1)Cl)F TS07142 [0,1,0,0,0,0|2,0,0]=3 701 B9R1.69 Cc1ccc(c(n1)Cl)N TS02626 [0,1,0,0,0,0|2,0,0]=3 702 B9R1.69 Cc1ccc(c(n1)Cl)O TS40117 [0,1,0,0,0,0|1,0,0]=2 703 B9R1.69 Cc1ccc(c(n1)F)Br TS16863 [0,1,0,0,0,0|2,0,0]=3 704 B9R1.69 Cc1ccc(c(n1)F)I TS65046 [0,1,0,0,0,0|2,0,0]=3 705 B9R1.69 Cc1ccc(c(n1)F)N TS36113 [0,1,0,0,0,0|2,0,0]=3 706 B9R1.69 Cc1ccc(c(n1)F)O TS02159 [0,1,0,0,0,0|1,0,0]=2 707 B9R1.69 Cc1ccc(c(n1)I)O TS60300 [0,1,0,0,0,0|1,0,0]=2 708 B9R1.69 Cc1ccc(c(n1)N)Br TS60256 [0,1,0,0,0,0|2,0,0]=3 709 B9R1.69 Cc1ccc(c(n1)N)I TS39254 [0,1,0,0,0,0|2,0,0]=3 710 B9R1.69 Cc1ccc(c(n1)N)N TS32571 [0,1,0,0,0,0|2,0,0]=3 711 B9R1.69 Cc1ccc(c(n1)N)O TS08957 [0,1,0,0,0,0|1,0,0]=2 712 B9R1.69 Cc1ccc(c(n1)O)Br TS65901 [0,1,0,0,0,0|2,0,0]=3 713 B9R1.69 Cc1ccc(cc1Br)Br TS47196 [0,1,0,0,0,0|1,0,0]=2 714 B9R1.69 Cc1ccc(cc1Br)Cl TS55095 [0,1,0,0,0,0|1,0,0]=2 715 B9R1.69 Cc1ccc(cc1Br)I TS08325 [0,1,0,0,0,0|1,0,0]=2 716 B9R1.69 Cc1ccc(cc1Br)N TS09455 [0,1,0,0,0,0|1,0,0]=2 717 B9R1.69 Cc1ccc(cc1C)Br TS39736 [0,1,0,0,0,0|1,0,0]=2 718 B9R1.69 Cc1ccc(cc1C)Cl TS37457 [0,1,0,0,0,0|1,0,0]=2 719 B9R1.69 Cc1ccc(cc1C)F TS65457 [0,1,0,0,0,0|1,0,0]=2 720 B9R1.69 Cc1ccc(cc1C)I TS25161 [0,1,0,0,0,0|1,0,0]=2 721 B9R1.69 Cc1ccc(cc1C)N TS32462 [0,1,0,0,0,0|1,0,0]=2 722 B9R1.69 Cc1ccc(cc1C)O TS00123 [0,1,0,0,0,0|0,0,0]=1 723 B9R1.69 Cc1ccc(cc1C)S TS06303 [0,1,0,0,0,0|0,1,0]=2 724 B9R1.69 Cc1ccc(cc1Cl)Br TS16935 [0,1,0,0,0,0|1,0,0]=2 725 B9R1.69 Cc1ccc(cc1Cl)Cl TS07911 [0,1,0,0,0,0|1,0,0]=2 726 B9R1.69 Cc1ccc(cc1Cl)I TS63184 [0,1,0,0,0,0|1,0,0]=2 727 B9R1.69 Cc1ccc(cc1Cl)N TS37536 [0,1,0,0,0,0|1,0,0]=2 728 B9R1.69 Cc1ccc(cc1Cl)O TS65985 [0,1,0,0,0,0|0,0,0]=1 729 B9R1.69 Cc1ccc(cc1F)Br TS16763 [0,1,0,0,0,0|1,0,0]=2 730 B9R1.69 Cc1ccc(cc1F)Cl TS40275 [0,1,0,0,0,0|1,0,0]=2 731 B9R1.69 Cc1ccc(cc1F)F TS47222 [0,1,0,0,0,0|1,0,0]=2 732 B9R1.69 Cc1ccc(cc1F)I TS02163 [0,1,0,0,0,0|1,0,0]=2 733 B9R1.69 Cc1ccc(cc1F)N TS02755 [0,1,0,0,0,0|1,0,0]=2 734 B9R1.69 Cc1ccc(cc1F)O TS02758 [0,1,0,0,0,0|0,0,0]=1 735 B9R1.69 Cc1ccc(cc1F)S TS06690 [0,1,0,0,0,0|0,1,0]=2 736 B9R1.69 Cc1ccc(cc1F)[Zn+] TS59080 [0,1,0,0,0,0|1,0,0]=2 737 B9R1.69 Cc1ccc(cc1I)Cl TS63183 [0,1,0,0,0,0|1,0,0]=2 738 B9R1.69 Cc1ccc(cc1I)F TS60397 [0,1,0,0,0,0|1,0,0]=2 739 B9R1.69 Cc1ccc(cc1I)N TS53418 [0,1,0,0,0,0|1,0,0]=2 740 B9R1.69 Cc1ccc(cc1N)Br TS47394 [0,1,0,0,0,0|1,0,0]=2 741 B9R1.69 Cc1ccc(cc1N)Cl TS46379 [0,1,0,0,0,0|1,0,0]=2 742 B9R1.69 Cc1ccc(cc1N)Cl TS71504 [0,1,0,0,0,0|1,0,0]=2 743 B9R1.69 Cc1ccc(cc1N)F TS71546 [0,1,0,0,0,0|1,0,0]=2 744 B9R1.69 Cc1ccc(cc1N)I TS08884 [0,1,0,0,0,0|1,0,0]=2 745 B9R1.69 Cc1ccc(cc1N)N TS32517 [0,1,0,0,0,0|1,0,0]=2 746 B9R1.69 Cc1ccc(cc1N)O TS65470 [0,1,0,0,0,0|0,0,0]=1 747 B9R1.69 Cc1ccc(cc1O)Br TS09797 [0,1,0,0,0,0|1,0,0]=2 748 B9R1.69 Cc1ccc(cc1O)Cl TS37685 [0,1,0,0,0,0|1,0,0]=2 749 B9R1.69 Cc1ccc(cc1O)F TS65133 [0,1,0,0,0,0|1,0,0]=2 750 B9R1.69 Cc1ccc(cc1O)O TS65139 [0,1,0,0,0,0|0,0,0]=1 751 B9R1.69 Cc1ccc(cc1S)Cl TS41999 [0,1,0,0,0,0|1,0,0]=2 752 B9R1.69 Cc1ccc(cc1S)F TS06686 [0,1,0,0,0,0|1,0,0]=2 753 B9R1.69 Cc1ccc(cn1=O)Br TS09800 [0,1,0,0,0,0|2,0,0]=3 754 B9R1.69 Cc1ccc(nc1C)C TS04872 [0,1,0,0,0,0|2,0,0]=3 755 B9R1.69 Cc1ccc(nc1C)C TS26913 [0,1,0,0,0,0|2,0,0]=3 756 B9R1.69 Cc1ccc(nc1C)N TS04919 [0,1,0,0,0,0|2,0,0]=3 757 B9R1.69 Cc1ccc(nc1Cl)Cl TS11473 [0,1,0,0,0,0|2,0,0]=3 758 B9R1.69 Cc1ccc(nc1N)C TS02606 [0,1,0,0,0,0|2,0,0]=3 759 B9R1.69 Cc1cnc(c(n1)Br)N TS08280 [0,1,0,0,0,0|3,0,0]=4 760 B9R1.69 Cc1cnc(c(n1)C)C TS04917 [0,1,0,0,0,0|3,0,0]=4 761 B9R1.69 Cc1cnc(c(n1)C)N TS08856 [0,1,0,0,0,0|3,0,0]=4 762 B9R1.69 Cc1cnc(c(n1)Cl)C TS06805 [0,1,0,0,0,0|3,0,0]=4 763 B9R1.69 Cc1cnc(cc1Cl)Cl TS00611 [0,1,0,0,0,0|2,0,0]=3 764 B9R1.69 Cc1cnc(cc1I)F TS08417 [0,1,0,0,0,0|2,0,0]=3 765 B9R1.69 Cc1cnc(cn1=O)C TS05014 [0,1,0,0,0,0|3,0,0]=4 766 B9R1.69 Cc1cnc(nc1Cl)Cl TS00612 [0,1,0,0,0,0|3,0,0]=4 767 B9R1.69 Cc1cnc(nc1Cl)N TS89156 [0,1,0,0,0,0|3,0,0]=4 768 B9R1.69 Cc1cnc(nc1N)Cl TS70874 [0,1,0,0,0,0|3,0,0]=4 769 B9R1.69 Cc1ncc(c(n1)Cl)F TS29442 [0,1,0,0,0,0|3,0,0]=4 770 B9R1.69 Cn1c(=O)cc(cn1)I TS92081 [0,1,0,0,0,0|3,0,0]=4 771 B9R1.69 Cn1c(=O)cc(cn1)N TS87921 [0,1,0,0,0,0|3,0,0]=4 772 B9R1.69 Cn1c(=O)ccc(n1)O TS36102 [0,1,0,0,0,0|3,0,0]=4 773 B9R1.69 Cn1cc(ccc1=O)Br TS91224 [0,1,0,0,0,0|2,0,1]=4 774 B9R1.69 Cn1cc(ccc1=O)F TS03324 [0,1,0,0,0,0|2,0,1]=4 775 B9R1.69 Cn1cc(ccc1=O)N TS87923 [0,1,0,0,0,0|2,0,1]=4 776 B9R1.69 Cn1ccc(=O)[nH]c1=O TS47007 [0,1,0,0,0,0|2,0,1]=4 777 B9R1.69 Cn1ccc(cc1=O)Br TS89656 [0,1,0,0,0,0|2,0,0]=3 778 B9R1.69 Cn1ccc(cc1=O)N TS85868 [0,1,0,0,0,0|2,0,0]=3 779 B9R1.69 Cn1ccc(nc1=O)N TS05093 [0,1,0,0,0,0|3,0,0]=4 780 B9R1.69 c1c(c(c[nH]c1=O)Cl)O TS07137 [0,1,0,0,0,0|2,0,1]=4 781 B9R1.69 c1c(c(cnc1Cl)Br)Cl TS33097 [0,1,0,0,0,0|3,0,0]=4 782 B9R1.69 c1c(c(cnc1Cl)Br)N TS89598 [0,1,0,0,0,0|3,0,0]=4 783 B9R1.69 c1c(c(cnc1Cl)Cl)Br TS01844 [0,1,0,0,0,0|3,0,0]=4 784 B9R1.69 c1c(c(cnc1Cl)Cl)N TS11650 [0,1,0,0,0,0|3,0,0]=4 785 B9R1.69 c1c(c(cnc1Cl)Cl)O TS11787 [0,1,0,0,0,0|3,0,0]=4 786 B9R1.69 c1c(c(cnc1Cl)F)Br TS43886 [0,1,0,0,0,0|3,0,0]=4 787 B9R1.69 c1c(c(cnc1Cl)F)I TS55241 [0,1,0,0,0,0|3,0,0]=4 788 B9R1.69 c1c(c(cnc1Cl)I)Cl TS33094 [0,1,0,0,0,0|3,0,0]=4 789 B9R1.69 c1c(c(cnc1Cl)I)N TS89284 [0,1,0,0,0,0|3,0,0]=4 790 B9R1.69 c1c(c(cnc1Cl)N)Cl TS70838 [0,1,0,0,0,0|3,0,0]=4 791 B9R1.69 c1c(c(cnc1Cl)N)N TS86592 [0,1,0,0,0,0|3,0,0]=4 792 B9R1.69 c1c(c(cnc1F)Br)Cl TS43887 [0,1,0,0,0,0|3,0,0]=4 793 B9R1.69 c1c(c(cnc1F)Br)N TS88671 [0,1,0,0,0,0|3,0,0]=4 794 B9R1.69 c1c(c(cnc1F)Cl)I TS09837 [0,1,0,0,0,0|3,0,0]=4 795 B9R1.69 c1c(c(cnc1F)F)F TS00587 [0,1,0,0,0,0|3,0,0]=4 796 B9R1.69 c1c(c(cnc1F)I)Cl TS33095 [0,1,0,0,0,0|3,0,0]=4 797 B9R1.69 c1c(c(cnc1F)N)N TS36214 [0,1,0,0,0,0|3,0,0]=4 798 B9R1.69 c1c(c(cnc1N)Br)Cl TS85360 [0,1,0,0,0,0|3,0,0]=4 799 B9R1.69 c1c(c(cnc1N)Cl)Cl TS02901 [0,1,0,0,0,0|3,0,0]=4 800 B9R1.69 c1c(c(cnc1N)N)N TS47177 [0,1,0,0,0,0|3,0,0]=4 801 B9R1.69 c1c(c(cnc1O)F)Br TS17404 [0,1,0,0,0,0|2,0,0]=3 802 B9R1.69 c1c(c(nc(n1)O)O)O TS05308 [0,1,0,0,0,0|3,0,0]=4 803 B9R1.69 c1c(c(nc(n1)O)S)F TS40381 [0,1,0,0,0,0|3,0,0]=4 804 B9R1.69 c1c(c(nnc1O)O)Cl TS07275 [0,1,0,0,0,0|3,0,0]=4 805 B9R1.69 c1c(cnc(c1Br)Br)Br TS61254 [0,1,0,0,0,0|3,0,0]=4 806 B9R1.69 c1c(cnc(c1Br)Br)Cl TS00552 [0,1,0,0,0,0|3,0,0]=4 807 B9R1.69 c1c(cnc(c1Br)Br)F TS47133 [0,1,0,0,0,0|3,0,0]=4 808 B9R1.69 c1c(cnc(c1Br)Br)N TS63064 [0,1,0,0,0,0|3,0,0]=4 809 B9R1.69 c1c(cnc(c1Br)Cl)Br TS08390 [0,1,0,0,0,0|3,0,0]=4 810 B9R1.69 c1c(cnc(c1Br)Cl)Cl TS52450 [0,1,0,0,0,0|3,0,0]=4 811 B9R1.69 c1c(cnc(c1Br)Cl)F TS16855 [0,1,0,0,0,0|3,0,0]=4 812 B9R1.69 c1c(cnc(c1Br)Cl)N TS03224 [0,1,0,0,0,0|3,0,0]=4 813 B9R1.69 c1c(cnc(c1Br)Cl)O TS08391 [0,1,0,0,0,0|2,0,0]=3 814 B9R1.69 c1c(cnc(c1Br)F)Br TS02567 [0,1,0,0,0,0|3,0,0]=4 815 B9R1.69 c1c(cnc(c1Br)F)Cl TS43885 [0,1,0,0,0,0|3,0,0]=4 816 B9R1.69 c1c(cnc(c1Br)F)N TS03225 [0,1,0,0,0,0|3,0,0]=4 817 B9R1.69 c1c(cnc(c1Br)F)O TS17403 [0,1,0,0,0,0|2,0,0]=3 818 B9R1.69 c1c(cnc(c1Br)N)Br TS94749 [0,1,0,0,0,0|3,0,0]=4 819 B9R1.69 c1c(cnc(c1Br)N)Cl TS08278 [0,1,0,0,0,0|3,0,0]=4 820 B9R1.69 c1c(cnc(c1Br)N)F TS08279 [0,1,0,0,0,0|3,0,0]=4 821 B9R1.69 c1c(cnc(c1Br)N)N TS50646 [0,1,0,0,0,0|3,0,0]=4 822 B9R1.69 c1c(cnc(c1Br)N)O TS08881 [0,1,0,0,0,0|2,0,0]=3 823 B9R1.69 c1c(cnc(c1Br)O)Br TS02570 [0,1,0,0,0,0|2,0,0]=3 824 B9R1.69 c1c(cnc(c1Br)O)Cl TS39301 [0,1,0,0,0,0|2,0,0]=3 825 B9R1.69 c1c(cnc(c1Br)O)F TS39708 [0,1,0,0,0,0|2,0,0]=3 826 B9R1.69 c1c(cnc(c1Cl)Br)Br TS33275 [0,1,0,0,0,0|3,0,0]=4 827 B9R1.69 c1c(cnc(c1Cl)Br)Cl TS55085 [0,1,0,0,0,0|3,0,0]=4 828 B9R1.69 c1c(cnc(c1Cl)Br)N TS43338 [0,1,0,0,0,0|3,0,0]=4 829 B9R1.69 c1c(cnc(c1Cl)Br)O TS20651 [0,1,0,0,0,0|2,0,0]=3 830 B9R1.69 c1c(cnc(c1Cl)Cl)Br TS52451 [0,1,0,0,0,0|3,0,0]=4 831 B9R1.69 c1c(cnc(c1Cl)Cl)Cl TS00541 [0,1,0,0,0,0|3,0,0]=4 832 B9R1.69 c1c(cnc(c1Cl)Cl)Cl TS93900 [0,1,0,0,0,0|3,0,0]=4 833 B9R1.69 c1c(cnc(c1Cl)Cl)I TS33548 [0,1,0,0,0,0|3,0,0]=4 834 B9R1.69 c1c(cnc(c1Cl)Cl)N TS02644 [0,1,0,0,0,0|3,0,0]=4 835 B9R1.69 c1c(cnc(c1Cl)F)Br TS02158 [0,1,0,0,0,0|3,0,0]=4 836 B9R1.69 c1c(cnc(c1Cl)F)Cl TS12129 [0,1,0,0,0,0|3,0,0]=4 837 B9R1.69 c1c(cnc(c1Cl)F)O TS65966 [0,1,0,0,0,0|2,0,0]=3 838 B9R1.69 c1c(cnc(c1Cl)N)Br TS43336 [0,1,0,0,0,0|3,0,0]=4 839 B9R1.69 c1c(cnc(c1Cl)N)Cl TS07934 [0,1,0,0,0,0|3,0,0]=4 840 B9R1.69 c1c(cnc(c1F)Br)Br TS47242 [0,1,0,0,0,0|3,0,0]=4 841 B9R1.69 c1c(cnc(c1F)Br)Cl TS85457 [0,1,0,0,0,0|3,0,0]=4 842 B9R1.69 c1c(cnc(c1F)Br)F TS09118 [0,1,0,0,0,0|3,0,0]=4 843 B9R1.69 c1c(cnc(c1F)Cl)Br TS16976 [0,1,0,0,0,0|3,0,0]=4 844 B9R1.69 c1c(cnc(c1F)Cl)Cl TS85454 [0,1,0,0,0,0|3,0,0]=4 845 B9R1.69 c1c(cnc(c1F)Cl)O TS08395 [0,1,0,0,0,0|2,0,0]=3 846 B9R1.69 c1c(cnc(c1F)F)Br TS16968 [0,1,0,0,0,0|3,0,0]=4 847 B9R1.69 c1c(cnc(c1F)F)F TS00543 [0,1,0,0,0,0|3,0,0]=4 848 B9R1.69 c1c(cnc(c1F)N)Cl TS00771 [0,1,0,0,0,0|3,0,0]=4 849 B9R1.69 c1c(cnc(c1F)N)F TS08273 [0,1,0,0,0,0|3,0,0]=4 850 B9R1.69 c1c(cnc(c1F)O)Cl TS85208 [0,1,0,0,0,0|2,0,0]=3 851 B9R1.69 c1c(cnc(c1I)Cl)Br TS61411 [0,1,0,0,0,0|3,0,0]=4 852 B9R1.69 c1c(cnc(c1I)Cl)F TS29100 [0,1,0,0,0,0|3,0,0]=4 853 B9R1.69 c1c(cnc(c1I)N)Br TS47368 [0,1,0,0,0,0|3,0,0]=4 854 B9R1.69 c1c(cnc(c1I)N)Cl TS28683 [0,1,0,0,0,0|3,0,0]=4 855 B9R1.69 c1c(cnc(c1I)N)F TS00783 [0,1,0,0,0,0|3,0,0]=4 856 B9R1.69 c1c(cnc(c1I)O)Br TS74565 [0,1,0,0,0,0|2,0,0]=3 857 B9R1.69 c1c(cnc(c1N)Br)Br TS63063 [0,1,0,0,0,0|3,0,0]=4 858 B9R1.69 c1c(cnc(c1N)Br)Cl TS02620 [0,1,0,0,0,0|3,0,0]=4 859 B9R1.69 c1c(cnc(c1N)Br)F TS02621 [0,1,0,0,0,0|3,0,0]=4 860 B9R1.69 c1c(cnc(c1N)Cl)Br TS02645 [0,1,0,0,0,0|3,0,0]=4 861 B9R1.69 c1c(cnc(c1N)Cl)Cl TS65840 [0,1,0,0,0,0|3,0,0]=4 862 B9R1.69 c1c(cnc(c1N)Cl)F TS02624 [0,1,0,0,0,0|3,0,0]=4 863 B9R1.69 c1c(cnc(c1N)Cl)I TS28681 [0,1,0,0,0,0|3,0,0]=4 864 B9R1.69 c1c(cnc(c1N)Cl)N TS40120 [0,1,0,0,0,0|3,0,0]=4 865 B9R1.69 c1c(cnc(c1N)F)Br TS02646 [0,1,0,0,0,0|3,0,0]=4 866 B9R1.69 c1c(cnc(c1N)F)Cl TS02648 [0,1,0,0,0,0|3,0,0]=4 867 B9R1.69 c1c(cnc(c1N)N)Br TS71411 [0,1,0,0,0,0|3,0,0]=4 868 B9R1.69 c1c(cnc(c1N)N)Br TS85537 [0,1,0,0,0,0|3,0,0]=4 869 B9R1.69 c1c(cnc(c1N)N)Cl TS00546 [0,1,0,0,0,0|3,0,0]=4 870 B9R1.69 c1c(cnc(c1N)N)F TS03326 [0,1,0,0,0,0|3,0,0]=4 871 B9R1.69 c1c(cnc(c1N)O)Br TS55381 [0,1,0,0,0,0|2,0,0]=3 872 B9R1.69 c1c(cnc(c1N)O)Br TS85461 [0,1,0,0,0,0|2,0,0]=3 873 B9R1.69 c1c(cnc(c1N)O)Cl TS55382 [0,1,0,0,0,0|2,0,0]=3 874 B9R1.69 c1c(cnc(c1O)Br)Cl TS20650 [0,1,0,0,0,0|3,0,0]=4 875 B9R1.69 c1c(cnc(c1O)Cl)Br TS71412 [0,1,0,0,0,0|3,0,0]=4 876 B9R1.69 c1c(cnc(c1O)Cl)F TS07716 [0,1,0,0,0,0|3,0,0]=4 877 B9R1.69 c1c(cnc(c1O)F)Br TS55325 [0,1,0,0,0,0|3,0,0]=4 878 B9R1.69 c1c(cnc(c1O)N)Cl TS40265 [0,1,0,0,0,0|3,0,0]=4 879 B9R1.69 c1c(cnc(c1O)O)Cl TS09823 [0,1,0,0,0,0|2,0,0]=3 880 B9R1.69 c1c(nc(c(n1)O)Br)Br TS02569 [0,1,0,0,0,0|3,0,0]=4 881 B9R1.69 c1cc(c(cc1Br)Br)F TS65339 [0,1,0,0,0,0|2,0,0]=3 882 B9R1.69 c1cc(c(cc1Br)Br)N TS28127 [0,1,0,0,0,0|2,0,0]=3 883 B9R1.69 c1cc(c(cc1Br)Br)O TS63061 [0,1,0,0,0,0|1,0,0]=2 884 B9R1.69 c1cc(c(cc1Br)Cl)Br TS30840 [0,1,0,0,0,0|2,0,0]=3 885 B9R1.69 c1cc(c(cc1Br)Cl)Cl TS60379 [0,1,0,0,0,0|2,0,0]=3 886 B9R1.69 c1cc(c(cc1Br)Cl)F TS16928 [0,1,0,0,0,0|2,0,0]=3 887 B9R1.69 c1cc(c(cc1Br)Cl)I TS00005 [0,1,0,0,0,0|2,0,0]=3 888 B9R1.69 c1cc(c(cc1Br)Cl)N TS16930 [0,1,0,0,0,0|2,0,0]=3 889 B9R1.69 c1cc(c(cc1Br)Cl)O TS16932 [0,1,0,0,0,0|1,0,0]=2 890 B9R1.69 c1cc(c(cc1Br)F)Cl TS08877 [0,1,0,0,0,0|2,0,0]=3 891 B9R1.69 c1cc(c(cc1Br)F)F TS17594 [0,1,0,0,0,0|2,0,0]=3 892 B9R1.69 c1cc(c(cc1Br)F)I TS16936 [0,1,0,0,0,0|2,0,0]=3 893 B9R1.69 c1cc(c(cc1Br)F)N TS16937 [0,1,0,0,0,0|2,0,0]=3 894 B9R1.69 c1cc(c(cc1Br)F)N TS30908 [0,1,0,0,0,0|2,0,0]=3 895 B9R1.69 c1cc(c(cc1Br)F)O TS16943 [0,1,0,0,0,0|1,0,0]=2 896 B9R1.69 c1cc(c(cc1Br)I)Br TS65341 [0,1,0,0,0,0|2,0,0]=3 897 B9R1.69 c1cc(c(cc1Br)I)F TS39503 [0,1,0,0,0,0|2,0,0]=3 898 B9R1.69 c1cc(c(cc1Br)I)I TS81371 [0,1,0,0,0,0|2,0,0]=3 899 B9R1.69 c1cc(c(cc1Br)I)N TS93998 [0,1,0,0,0,0|2,0,0]=3 900 B9R1.69 c1cc(c(cc1Br)N)Br TS47330 [0,1,0,0,0,0|2,0,0]=3 901 B9R1.69 c1cc(c(cc1Br)N)Cl TS00908 [0,1,0,0,0,0|2,0,0]=3 902 B9R1.69 c1cc(c(cc1Br)N)F TS51004 [0,1,0,0,0,0|2,0,0]=3 903 B9R1.69 c1cc(c(cc1Br)N)N TS09591 [0,1,0,0,0,0|2,0,0]=3 904 B9R1.69 c1cc(c(cc1Br)N)O TS47391 [0,1,0,0,0,0|1,0,0]=2 905 B9R1.69 c1cc(c(cc1Br)O)Br TS47249 [0,1,0,0,0,0|2,0,0]=3 906 B9R1.69 c1cc(c(cc1Br)O)Cl TS02066 [0,1,0,0,0,0|2,0,0]=3 907 B9R1.69 c1cc(c(cc1Br)O)F TS71425 [0,1,0,0,0,0|2,0,0]=3 908 B9R1.69 c1cc(c(cc1Br)O)N TS47429 [0,1,0,0,0,0|2,0,0]=3 909 B9R1.69 c1cc(c(cc1Br)O)O TS09600 [0,1,0,0,0,0|1,0,0]=2 910 B9R1.69 c1cc(c(cc1Br)S)N TS38531 [0,1,0,0,0,0|2,0,0]=3 911 B9R1.69 c1cc(c(cc1Cl)Br)Cl TS52251 [0,1,0,0,0,0|2,0,0]=3 912 B9R1.69 c1cc(c(cc1Cl)Br)F TS09446 [0,1,0,0,0,0|2,0,0]=3 913 B9R1.69 c1cc(c(cc1Cl)Br)I TS32903 [0,1,0,0,0,0|2,0,0]=3 914 B9R1.69 c1cc(c(cc1Cl)Br)N TS39093 [0,1,0,0,0,0|2,0,0]=3 915 B9R1.69 c1cc(c(cc1Cl)Br)O TS43333 [0,1,0,0,0,0|1,0,0]=2 916 B9R1.69 c1cc(c(cc1Cl)Cl)Br TS32864 [0,1,0,0,0,0|2,0,0]=3 917 B9R1.69 c1cc(c(cc1Cl)Cl)Cl TS48137 [0,1,0,0,0,0|2,0,0]=3 918 B9R1.69 c1cc(c(cc1Cl)Cl)F TS42843 [0,1,0,0,0,0|2,0,0]=3 919 B9R1.69 c1cc(c(cc1Cl)Cl)I TS00600 [0,1,0,0,0,0|2,0,0]=3 920 B9R1.69 c1cc(c(cc1Cl)Cl)N TS11477 [0,1,0,0,0,0|2,0,0]=3 921 B9R1.69 c1cc(c(cc1Cl)Cl)O TS11646 [0,1,0,0,0,0|1,0,0]=2 922 B9R1.69 c1cc(c(cc1Cl)Cl)S TS14336 [0,1,0,0,0,0|1,1,0]=3 923 B9R1.69 c1cc(c(cc1Cl)F)Br TS00411 [0,1,0,0,0,0|2,0,0]=3 924 B9R1.69 c1cc(c(cc1Cl)F)Cl TS02132 [0,1,0,0,0,0|2,0,0]=3 925 B9R1.69 c1cc(c(cc1Cl)F)F TS40699 [0,1,0,0,0,0|2,0,0]=3 926 B9R1.69 c1cc(c(cc1Cl)F)I TS67911 [0,1,0,0,0,0|2,0,0]=3 927 B9R1.69 c1cc(c(cc1Cl)F)N TS03038 [0,1,0,0,0,0|2,0,0]=3 928 B9R1.69 c1cc(c(cc1Cl)F)O TS03043 [0,1,0,0,0,0|1,0,0]=2 929 B9R1.69 c1cc(c(cc1Cl)I)Cl TS33453 [0,1,0,0,0,0|2,0,0]=3 930 B9R1.69 c1cc(c(cc1Cl)I)F TS67910 [0,1,0,0,0,0|2,0,0]=3 931 B9R1.69 c1cc(c(cc1Cl)I)N TS03048 [0,1,0,0,0,0|2,0,0]=3 932 B9R1.69 c1cc(c(cc1Cl)I)O TS03049 [0,1,0,0,0,0|1,0,0]=2 933 B9R1.69 c1cc(c(cc1Cl)N)Br TS55117 [0,1,0,0,0,0|2,0,0]=3 934 B9R1.69 c1cc(c(cc1Cl)N)Cl TS11478 [0,1,0,0,0,0|2,0,0]=3 935 B9R1.69 c1cc(c(cc1Cl)N)F TS09838 [0,1,0,0,0,0|2,0,0]=3 936 B9R1.69 c1cc(c(cc1Cl)N)I TS07823 [0,1,0,0,0,0|2,0,0]=3 937 B9R1.69 c1cc(c(cc1Cl)N)N TS09680 [0,1,0,0,0,0|2,0,0]=3 938 B9R1.69 c1cc(c(cc1Cl)N)O TS07921 [0,1,0,0,0,0|1,0,0]=2 939 B9R1.69 c1cc(c(cc1Cl)N)S TS11197 [0,1,0,0,0,0|1,1,0]=3 940 B9R1.69 c1cc(c(cc1Cl)N)S TS53595 [0,1,0,0,0,0|1,1,0]=3 941 B9R1.69 c1cc(c(cc1Cl)O)Br TS55121 [0,1,0,0,0,0|2,0,0]=3 942 B9R1.69 c1cc(c(cc1Cl)O)Cl TS11648 [0,1,0,0,0,0|2,0,0]=3 943 B9R1.69 c1cc(c(cc1Cl)O)I TS32985 [0,1,0,0,0,0|2,0,0]=3 944 B9R1.69 c1cc(c(cc1Cl)O)N TS08950 [0,1,0,0,0,0|2,0,0]=3 945 B9R1.69 c1cc(c(cc1Cl)O)O TS40260 [0,1,0,0,0,0|1,0,0]=2 946 B9R1.69 c1cc(c(cc1Cl)S)Cl TS47675 [0,1,0,0,0,0|2,0,0]=3 947 B9R1.69 c1cc(c(cc1Cl)S)N TS11199 [0,1,0,0,0,0|2,0,0]=3 948 B9R1.69 c1cc(c(cc1F)Br)Br TS65271 [0,1,0,0,0,0|2,0,0]=3 949 B9R1.69 c1cc(c(cc1F)Br)Cl TS09284 [0,1,0,0,0,0|2,0,0]=3 950 B9R1.69 c1cc(c(cc1F)Br)F TS55068 [0,1,0,0,0,0|2,0,0]=3 951 B9R1.69 c1cc(c(cc1F)Br)I TS08319 [0,1,0,0,0,0|2,0,0]=3 952 B9R1.69 c1cc(c(cc1F)Br)N TS08968 [0,1,0,0,0,0|2,0,0]=3 953 B9R1.69 c1cc(c(cc1F)Br)O TS17209 [0,1,0,0,0,0|1,0,0]=2 954 B9R1.69 c1cc(c(cc1F)Cl)Br TS20790 [0,1,0,0,0,0|2,0,0]=3 955 B9R1.69 c1cc(c(cc1F)Cl)Cl TS60315 [0,1,0,0,0,0|2,0,0]=3 956 B9R1.69 c1cc(c(cc1F)Cl)F TS40700 [0,1,0,0,0,0|2,0,0]=3 957 B9R1.69 c1cc(c(cc1F)Cl)I TS67913 [0,1,0,0,0,0|2,0,0]=3 958 B9R1.69 c1cc(c(cc1F)Cl)N TS00883 [0,1,0,0,0,0|2,0,0]=3 959 B9R1.69 c1cc(c(cc1F)Cl)O TS55213 [0,1,0,0,0,0|1,0,0]=2 960 B9R1.69 c1cc(c(cc1F)Cl)S TS11629 [0,1,0,0,0,0|1,1,0]=3 961 B9R1.69 c1cc(c(cc1F)F)Br TS02129 [0,1,0,0,0,0|2,0,0]=3 962 B9R1.69 c1cc(c(cc1F)F)Cl TS40698 [0,1,0,0,0,0|2,0,0]=3 963 B9R1.69 c1cc(c(cc1F)F)F TS46768 [0,1,0,0,0,0|2,0,0]=3 964 B9R1.69 c1cc(c(cc1F)F)I TS26444 [0,1,0,0,0,0|2,0,0]=3 965 B9R1.69 c1cc(c(cc1F)F)N TS00627 [0,1,0,0,0,0|2,0,0]=3 966 B9R1.69 c1cc(c(cc1F)F)O TS00636 [0,1,0,0,0,0|1,0,0]=2 967 B9R1.69 c1cc(c(cc1F)F)S TS07912 [0,1,0,0,0,0|1,1,0]=3 968 B9R1.69 c1cc(c(cc1F)I)Br TS65383 [0,1,0,0,0,0|2,0,0]=3 969 B9R1.69 c1cc(c(cc1F)I)Cl TS67912 [0,1,0,0,0,0|2,0,0]=3 970 B9R1.69 c1cc(c(cc1F)I)F TS26443 [0,1,0,0,0,0|2,0,0]=3 971 B9R1.69 c1cc(c(cc1F)I)I TS64595 [0,1,0,0,0,0|2,0,0]=3 972 B9R1.69 c1cc(c(cc1F)I)N TS09698 [0,1,0,0,0,0|2,0,0]=3 973 B9R1.69 c1cc(c(cc1F)N)Br TS16271 [0,1,0,0,0,0|2,0,0]=3 974 B9R1.69 c1cc(c(cc1F)N)Cl TS55243 [0,1,0,0,0,0|2,0,0]=3 975 B9R1.69 c1cc(c(cc1F)N)F TS00672 [0,1,0,0,0,0|2,0,0]=3 976 B9R1.69 c1cc(c(cc1F)N)I TS07832 [0,1,0,0,0,0|2,0,0]=3 977 B9R1.69 c1cc(c(cc1F)N)N TS16670 [0,1,0,0,0,0|2,0,0]=3 978 B9R1.69 c1cc(c(cc1F)N)O TS00753 [0,1,0,0,0,0|1,0,0]=2 979 B9R1.69 c1cc(c(cc1F)O)Br TS65384 [0,1,0,0,0,0|2,0,0]=3 980 B9R1.69 c1cc(c(cc1F)O)Cl TS60278 [0,1,0,0,0,0|2,0,0]=3 981 B9R1.69 c1cc(c(cc1F)O)F TS36449 [0,1,0,0,0,0|2,0,0]=3 982 B9R1.69 c1cc(c(cc1F)O)N TS36211 [0,1,0,0,0,0|2,0,0]=3 983 B9R1.69 c1cc(c(cc1F)O)O TS39506 [0,1,0,0,0,0|1,0,0]=2 984 B9R1.69 c1cc(c(cc1F)S)F TS07211 [0,1,0,0,0,0|2,0,0]=3 985 B9R1.69 c1cc(c(cc1I)Br)F TS59948 [0,1,0,0,0,0|2,0,0]=3 986 B9R1.69 c1cc(c(cc1I)Cl)Br TS00016 [0,1,0,0,0,0|2,0,0]=3 987 B9R1.69 c1cc(c(cc1I)Cl)Cl TS65447 [0,1,0,0,0,0|2,0,0]=3 988 B9R1.69 c1cc(c(cc1I)Cl)F TS67914 [0,1,0,0,0,0|2,0,0]=3 989 B9R1.69 c1cc(c(cc1I)Cl)I TS79712 [0,1,0,0,0,0|2,0,0]=3 990 B9R1.69 c1cc(c(cc1I)Cl)N TS09275 [0,1,0,0,0,0|2,0,0]=3 991 B9R1.69 c1cc(c(cc1I)F)Br TS46915 [0,1,0,0,0,0|2,0,0]=3 992 B9R1.69 c1cc(c(cc1I)F)Cl TS67909 [0,1,0,0,0,0|2,0,0]=3 993 B9R1.69 c1cc(c(cc1I)F)F TS59549 [0,1,0,0,0,0|2,0,0]=3 994 B9R1.69 c1cc(c(cc1I)F)I TS65285 [0,1,0,0,0,0|2,0,0]=3 995 B9R1.69 c1cc(c(cc1I)F)N TS09293 [0,1,0,0,0,0|2,0,0]=3 996 B9R1.69 c1cc(c(cc1I)I)I TS82497 [0,1,0,0,0,0|2,0,0]=3 997 B9R1.69 c1cc(c(cc1I)I)N TS64466 [0,1,0,0,0,0|2,0,0]=3 998 B9R1.69 c1cc(c(cc1I)N)F TS25996 [0,1,0,0,0,0|2,0,0]=3 999 B9R1.69 c1cc(c(cc1I)N)N TS71178 [0,1,0,0,0,0|2,0,0]=3 1000 B9R1.69 c1cc(c(cc1I)O)Cl TS08661 [0,1,0,0,0,0|2,0,0]=3 1001 B9R1.69 c1cc(c(cc1N)Br)F TS65920 [0,1,0,0,0,0|2,0,0]=3 1002 B9R1.69 c1cc(c(cc1N)Br)N TS55152 [0,1,0,0,0,0|2,0,0]=3 1003 B9R1.69 c1cc(c(cc1N)Br)O TS02230 [0,1,0,0,0,0|1,0,0]=2 1004 B9R1.69 c1cc(c(cc1N)Cl)Br TS09570 [0,1,0,0,0,0|2,0,0]=3 1005 B9R1.69 c1cc(c(cc1N)Cl)Cl TS59994 [0,1,0,0,0,0|2,0,0]=3 1006 B9R1.69 c1cc(c(cc1N)Cl)F TS00141 [0,1,0,0,0,0|2,0,0]=3 1007 B9R1.69 c1cc(c(cc1N)Cl)I TS60348 [0,1,0,0,0,0|2,0,0]=3 1008 B9R1.69 c1cc(c(cc1N)Cl)N TS06797 [0,1,0,0,0,0|2,0,0]=3 1009 B9R1.69 c1cc(c(cc1N)Cl)N TS44726 [0,1,0,0,0,0|2,0,0]=3 1010 B9R1.69 c1cc(c(cc1N)Cl)N TS47670 [0,1,0,0,0,0|2,0,0]=3 1011 B9R1.69 c1cc(c(cc1N)Cl)O TS02692 [0,1,0,0,0,0|1,0,0]=2 1012 B9R1.69 c1cc(c(cc1N)F)Br TS09574 [0,1,0,0,0,0|2,0,0]=3 1013 B9R1.69 c1cc(c(cc1N)F)Cl TS02746 [0,1,0,0,0,0|2,0,0]=3 1014 B9R1.69 c1cc(c(cc1N)F)F TS65749 [0,1,0,0,0,0|2,0,0]=3 1015 B9R1.69 c1cc(c(cc1N)F)I TS02749 [0,1,0,0,0,0|2,0,0]=3 1016 B9R1.69 c1cc(c(cc1N)F)O TS02963 [0,1,0,0,0,0|1,0,0]=2 1017 B9R1.69 c1cc(c(cc1N)I)N TS01065 [0,1,0,0,0,0|2,0,0]=3 1018 B9R1.69 c1cc(c(cc1N)I)O TS25670 [0,1,0,0,0,0|1,0,0]=2 1019 B9R1.69 c1cc(c(cc1N)N)Cl TS37694 [0,1,0,0,0,0|2,0,0]=3 1020 B9R1.69 c1cc(c(cc1N)N)F TS65337 [0,1,0,0,0,0|2,0,0]=3 1021 B9R1.69 c1cc(c(cc1N)N)I TS53551 [0,1,0,0,0,0|2,0,0]=3 1022 B9R1.69 c1cc(c(cc1N)N)N TS00347 [0,1,0,0,0,0|2,0,0]=3 1023 B9R1.69 c1cc(c(cc1N)N)O TS53804 [0,1,0,0,0,0|1,0,0]=2 1024 B9R1.69 c1cc(c(cc1N)O)Cl TS40118 [0,1,0,0,0,0|2,0,0]=3 1025 B9R1.69 c1cc(c(cc1N)O)O TS20087 [0,1,0,0,0,0|1,0,0]=2 1026 B9R1.69 c1cc(c(cc1O)Br)Cl TS43334 [0,1,0,0,0,0|1,0,0]=2 1027 B9R1.69 c1cc(c(cc1O)Br)F TS09448 [0,1,0,0,0,0|1,0,0]=2 1028 B9R1.69 c1cc(c(cc1O)Br)O TS32902 [0,1,0,0,0,0|1,0,0]=2 1029 B9R1.69 c1cc(c(cc1O)Cl)Br TS59607 [0,1,0,0,0,0|1,0,0]=2 1030 B9R1.69 c1cc(c(cc1O)Cl)Cl TS11647 [0,1,0,0,0,0|1,0,0]=2 1031 B9R1.69 c1cc(c(cc1O)Cl)F TS60346 [0,1,0,0,0,0|1,0,0]=2 1032 B9R1.69 c1cc(c(cc1O)Cl)O TS40259 [0,1,0,0,0,0|1,0,0]=2 1033 B9R1.69 c1cc(c(cc1O)F)Br TS09579 [0,1,0,0,0,0|1,0,0]=2 1034 B9R1.69 c1cc(c(cc1O)F)Cl TS09636 [0,1,0,0,0,0|1,0,0]=2 1035 B9R1.69 c1cc(c(cc1O)F)F TS60320 [0,1,0,0,0,0|1,0,0]=2 1036 B9R1.69 c1cc(c(cc1O)F)N TS42650 [0,1,0,0,0,0|1,0,0]=2 1037 B9R1.69 c1cc(c(cc1O)F)N TS70881 [0,1,0,0,0,0|1,0,0]=2 1038 B9R1.69 c1cc(c(cc1O)F)O TS85396 [0,1,0,0,0,0|1,0,0]=2 1039 B9R1.69 c1cc(c(cc1O)N)Br TS15905 [0,1,0,0,0,0|1,0,0]=2 1040 B9R1.69 c1cc(c(cc1O)N)Cl TS08862 [0,1,0,0,0,0|1,0,0]=2 1041 B9R1.69 c1cc(c(cc1O)N)F TS65858 [0,1,0,0,0,0|1,0,0]=2 1042 B9R1.69 c1cc(c(cc1O)O)Br TS16112 [0,1,0,0,0,0|1,0,0]=2 1043 B9R1.69 c1cc(c(cc1O)O)F TS71140 [0,1,0,0,0,0|1,0,0]=2 1044 B9R1.69 c1cc(c(cc1O)O)N TS42356 [0,1,0,0,0,0|1,0,0]=2 1045 B9R1.69 c1cc(c(cc1O)O)O TS05134 [0,1,0,0,0,0|1,0,0]=2 1046 B9R1.69 c1cc(c(cc1S)Cl)Cl TS14335 [0,1,0,0,0,0|1,1,0]=3 1047 B9R1.69 c1cc(c(cc1S)Cl)F TS07744 [0,1,0,0,0,0|1,1,0]=3 1048 B9R1.69 c1cc(c(cc1S)F)F TS40406 [0,1,0,0,0,0|1,1,0]=3 1049 B9R1.69 c1cc(c(cc1S)F)N TS40078 [0,1,0,0,0,0|1,1,0]=3 1050 B9R1.69 c1cc(c(cc1S)S)Cl TS46207 [0,1,0,0,0,0|1,1,0]=3 1051 B9R1.69 c1cc(c(cc1[Zn+])Cl)Cl TS64119 [0,1,0,0,0,0|2,0,0]=3 1052 B9R1.69 c1cc(c(cc1[Zn+])Cl)F TS61674 [0,1,0,0,0,0|2,0,0]=3 1053 B9R1.69 c1cc(c(cc1[Zn+])F)Cl TS61673 [0,1,0,0,0,0|2,0,0]=3 1054 B9R1.69 c1cc(nc(c1Br)Cl)Cl TS47283 [0,1,0,0,0,0|3,0,0]=4 1055 B9R1.69 c1cc(nc(c1Br)N)N TS86593 [0,1,0,0,0,0|3,0,0]=4 1056 B9R1.69 c1cc(nc(c1Cl)Cl)Cl TS15054 [0,1,0,0,0,0|3,0,0]=4 1057 B9R1.69 c1cc(nc(c1Cl)Cl)Cl TS85447 [0,1,0,0,0,0|3,0,0]=4 1058 B9R1.69 c1cc(nc(c1F)Cl)Cl TS47284 [0,1,0,0,0,0|3,0,0]=4 1059 B9R1.69 c1cc(nc(c1F)F)F TS05805 [0,1,0,0,0,0|3,0,0]=4 1060 B9R1.69 c1cc(nc(c1I)Cl)Cl TS47287 [0,1,0,0,0,0|3,0,0]=4 1061 B9R1.69 c1cc(nc(c1N)Br)Br TS65841 [0,1,0,0,0,0|3,0,0]=4 1062 B9R1.69 c1cc(nc(c1N)Br)Cl TS91673 [0,1,0,0,0,0|3,0,0]=4 1063 B9R1.69 c1cc(nc(c1N)Cl)Cl TS65842 [0,1,0,0,0,0|3,0,0]=4 1064 B9R1.69 c1cc(nc(c1N)N)Cl TS40121 [0,1,0,0,0,0|3,0,0]=4 1065 B9R1.69 c1cc(nc(c1N)N)N TS05025 [0,1,0,0,0,0|3,0,0]=4 1066 B9R1.69 c1cc(nc(c1N)O)Br TS65864 [0,1,0,0,0,0|3,0,0]=4 1067 B9R1.69 c1cc(nc(c1O)Br)Br TS00688 [0,1,0,0,0,0|2,0,0]=3 1068 B9R1.69 c1cc(nc(c1O)I)Cl TS28821 [0,1,0,0,0,0|2,0,0]=3 1069 B7R0.3 CC=CCC(C)C=C TS31844 [0,0,1,0,0,0|1,0,2]=4 1070 B7R0.6 C(=CC(=O)O)C(=O)N TS32144 [0,0,1,0,0,0|3,0,0]=4 1071 B7R0.6 C(=CC(=O)O)C(=O)O TS32176 [0,0,1,0,0,0|3,0,0]=4 1072 B7R0.6 C(=CC(=O)[O-])C(=O)O TS37153 [0,0,1,0,0,0|3,0,0]=4 1073 B7R0.6 CC(=CC=C(C)C)C TS47272 [0,0,1,0,0,0|1,0,2]=4 1074 B7R0.6 CC(=CC=C(Cl)Cl)C TS09984 [0,0,1,0,0,0|2,0,1]=4 1075 B7R0.6 CC(=CCC(=O)O)C TS04452 [0,0,1,0,0,0|1,0,2]=4 1076 B7R0.6 CC(=O)C=CC(=O)O TS32041 [0,0,1,0,0,0|2,0,0]=3 1077 B7R0.6 CC(C)C=CC(=O)O TS04440 [0,0,1,0,0,0|1,0,2]=4 1078 B7R1.2 C1=CC(=O)NC1=O TS56220 [0,0,0,0,1,0|2,0,1]=4 1079 B7R1.2 C1=CC(=O)OC1=O TS03751 [0,0,0,0,1,0|2,0,1]=4 1080 B7R1.2 C1C(=O)C=C(N1)O TS31463 [0,0,0,0,1,0|2,0,1]=4 1081 B7R1.2 C1[C@H](C=CC1=O)O TS03770 [0,0,0,0,1,0|1,0,2]=4 1082 B7R1.2 CC1=CC(=O)CC1 TS60019 [0,0,0,0,1,0|0,0,3]=4 1083 B7R1.2 CC1=CC(=O)OC1 TS03763 [0,0,0,0,1,0|1,0,2]=4 1084 B7R1.2 CC1=CCC(=O)O1 TS03764 [0,0,0,0,1,0|1,0,2]=4 1085 B7R1.2 Cc1[nH]cc(n1)Br TS70962 [0,0,0,0,1,0|3,0,0]=4 1086 B7R1.2 Cc1[nH]cc(n1)I TS08883 [0,0,0,0,1,0|3,0,0]=4 1087 B7R1.2 Cc1c[nH]c(=O)[nH]1 TS03772 [0,0,0,0,1,0|2,0,1]=4 1088 B7R1.2 Cc1c[nH]c(n1)C TS00643 [0,0,0,0,1,0|3,0,0]=4 1089 B7R1.2 Cc1cc([nH]c1)C TS00646 [0,0,0,0,1,0|2,0,0]=3 1090 B7R1.2 Cc1cc(cs1)Br TS70964 [0,0,0,0,1,0|2,0,0]=3 1091 B7R1.2 Cc1cc(n[nH]1)C TS65819 [0,0,0,0,1,0|3,0,0]=4 1092 B7R1.2 Cc1cc(n[nH]1)Cl TS04650 [0,0,0,0,1,0|3,0,0]=4 1093 B7R1.2 Cc1cc(n[nH]1)N TS55479 [0,0,0,0,1,0|3,0,0]=4 1094 B7R1.2 Cc1cc(no1)Br TS65934 [0,0,0,0,1,0|3,0,0]=4 1095 B7R1.2 Cc1cc(no1)N TS48907 [0,0,0,0,1,0|3,0,0]=4 1096 B7R1.2 Cc1cc(no1)N TS60000 [0,0,0,0,1,0|3,0,0]=4 1097 B7R1.2 Cc1cc(no1)O TS31468 [0,0,0,0,1,0|2,0,0]=3 1098 B7R1.2 Cc1cc(on1)C TS08855 [0,0,0,0,1,0|3,0,0]=4 1099 B7R1.2 Cc1cc(on1)N TS02058 [0,0,0,0,1,0|3,0,0]=4 1100 B7R1.2 Cc1cc(sc1)C TS04334 [0,0,0,0,1,0|2,0,0]=3 1101 B7R1.2 Cc1cc(sn1)Br TS60427 [0,0,0,0,1,0|3,0,0]=4 1102 B7R1.2 Cc1cc(sn1)N TS03230 [0,0,0,0,1,0|3,0,0]=4 1103 B7R1.2 Cc1ccc([nH]1)C TS59928 [0,0,0,0,1,0|2,0,0]=3 1104 B7R1.2 Cc1ccc(o1)C TS31370 [0,0,0,0,1,0|2,0,0]=3 1105 B7R1.2 Cc1ccc(s1)Br TS55129 [0,0,0,0,1,0|2,0,0]=3 1106 B7R1.2 Cc1ccc(s1)C TS04332 [0,0,0,0,1,0|2,0,0]=3 1107 B7R1.2 Cc1ccc(s1)Cl TS00916 [0,0,0,0,1,0|2,0,0]=3 1108 B7R1.2 Cc1ccc(s1)I TS23773 [0,0,0,0,1,0|2,0,0]=3 1109 B7R1.2 Cc1ccn(n1)C TS39993 [0,0,0,0,1,0|3,0,0]=4 1110 B7R1.2 Cc1cnc([nH]1)N TS31400 [0,0,0,0,1,0|3,0,0]=4 1111 B7R1.2 Cc1cnc([nH]1)N TS36796 [0,0,0,0,1,0|3,0,0]=4 1112 B7R1.2 Cc1cnc(s1)Br TS55128 [0,0,0,0,1,0|3,0,0]=4 1113 B7R1.2 Cc1cnc(s1)C TS32026 [0,0,0,0,1,0|3,0,0]=4 1114 B7R1.2 Cc1cnc(s1)Cl TS60279 [0,0,0,0,1,0|3,0,0]=4 1115 B7R1.2 Cc1cnn(c1)C TS31378 [0,0,0,0,1,0|3,0,0]=4 1116 B7R1.2 Cc1coc(n1)C TS31396 [0,0,0,0,1,0|3,0,0]=4 1117 B7R1.2 Cc1coc(n1)N TS71223 [0,0,0,0,1,0|3,0,0]=4 1118 B7R1.2 Cc1csc(n1)Br TS08335 [0,0,0,0,1,0|3,0,0]=4 1119 B7R1.2 Cc1csc(n1)C TS00648 [0,0,0,0,1,0|3,0,0]=4 1120 B7R1.2 Cc1csc(n1)Cl TS00890 [0,0,0,0,1,0|3,0,0]=4 1121 B7R1.2 Cc1csc(n1)N TS47415 [0,0,0,0,1,0|3,0,0]=4 1122 B7R1.2 Cc1csc(n1)N TS47417 [0,0,0,0,1,0|3,0,0]=4 1123 B7R1.2 Cc1csc(n1)S TS36626 [0,0,0,0,1,0|2,1,0]=4 1124 B7R1.2 Cc1nc(cs1)Br TS46374 [0,0,0,0,1,0|3,0,0]=4 1125 B7R1.2 Cn1cc(cn1)Br TS70943 [0,0,0,0,1,0|3,0,0]=4 1126 B7R1.2 Cn1cc(cn1)Cl TS71016 [0,0,0,0,1,0|3,0,0]=4 1127 B7R1.2 Cn1cc(cn1)I TS71181 [0,0,0,0,1,0|3,0,0]=4 1128 B7R1.2 Cn1cc(cn1)N TS90319 [0,0,0,0,1,0|3,0,0]=4 1129 B7R1.2 Cn1cc(nc1)Br TS70942 [0,0,0,0,1,0|3,0,0]=4 1130 B7R1.2 Cn1cc(nc1)I TS71180 [0,0,0,0,1,0|3,0,0]=4 1131 B7R1.2 Cn1cc[n+](c1)C TS07882 [0,0,0,0,1,0|3,0,0]=4 1132 B7R1.2 Cn1cc[n+](c1)C TS94116 [0,0,0,0,1,0|3,0,0]=4 1133 B7R1.2 Cn1ccc(n1)Br TS16852 [0,0,0,0,1,0|3,0,0]=4 1134 B7R1.2 Cn1ccc(n1)I TS89582 [0,0,0,0,1,0|3,0,0]=4 1135 B7R1.2 Cn1ccc(n1)N TS00475 [0,0,0,0,1,0|3,0,0]=4 1136 B7R1.2 Cn1ccc(n1)N TS72253 [0,0,0,0,1,0|3,0,0]=4 1137 B7R1.2 c1c(csc1Br)Br TS00598 [0,0,0,0,1,0|3,0,0]=4 1138 B7R1.2 c1c(csc1Cl)Br TS16934 [0,0,0,0,1,0|3,0,0]=4 1139 B7R1.2 c1c(csc1Cl)N TS86871 [0,0,0,0,1,0|3,0,0]=4 1140 B7R1.2 c1c(n[nH]c1O)N TS31472 [0,0,0,0,1,0|3,0,0]=4 1141 B7R1.2 c1cc(oc1Br)Br TS52248 [0,0,0,0,1,0|3,0,0]=4 1142 B7R1.2 c1cc(sc1Br)Br TS39628 [0,0,0,0,1,0|3,0,0]=4 1143 B7R1.2 c1cc(sc1Cl)Br TS18509 [0,0,0,0,1,0|3,0,0]=4 1144 B7R1.2 c1cc(sc1Cl)Cl TS10273 [0,0,0,0,1,0|3,0,0]=4 1145 B7R1.2 c1cc(sc1Cl)[Zn+] TS68672 [0,0,0,0,1,0|3,0,0]=4 1146 B7R1.2 c1cc(sc1I)I TS63999 [0,0,0,0,1,0|3,0,0]=4 1147 B6R0.1 C=CC(=O)OC=C TS03768 [1,0,1,0,0,0|1,0,1]=4 1148 B6R0.1 C=CCC(C=C)O TS31423 [1,0,1,0,0,0|0,0,2]=4 1149 B6R0.1 CC(CC=C)C=C TS31383 [1,0,1,0,0,0|0,0,2]=4 1150 B6R0.1 CC=C(C)CC=C TS03736 [1,0,1,0,0,0|0,0,2]=4 1151 B6R0.1 CC=CC(=CC)C TS31385 [1,0,1,0,0,0|0,0,2]=4 1152 B6R0.4 C=CC=CC(=O)O TS03760 [1,0,1,0,0,0|1,0,0]=3 1153 B6R0.4 CC(=C)CCC=C TS03725 [1,0,1,0,0,0|0,0,2]=4 1154 B6R0.4 CC(=CCC=C)C TS03719 [1,0,1,0,0,0|0,0,2]=4 1155 B6R0.4 CC(C)C=CC=C TS31391 [1,0,1,0,0,0|0,0,2]=4 1156 B6R0.4 CCC=CC(=O)O TS03448 [1,0,1,0,0,0|1,0,1]=4 1157 B6R0.4 CCC=CC(=O)O TS31503 [1,0,1,0,0,0|1,0,1]=4 1158 B6R0.6 C(=CC=O)C=CBr TS11348 [1,0,1,0,0,0|1,0,1]=4 1159 B6R0.6 CC=CC=CC#N TS71880 [1,0,1,0,0,0|1,0,1]=4 1160 B6R0.6 CC=CC=CC=O TS31368 [1,0,1,0,0,0|1,0,0]=3 1161 B6R0.6 CC=CC=CCO TS31427 [1,0,1,0,0,0|0,0,2]=4 1162 B6R1.1 C1CC=CC=C1 TS49690 [2,0,0,0,0,0|0,0,2]=4 1163 B6R1.1 c1cc[nH+]cc1 TS05076 [2,0,0,0,0,0|1,0,0]=3 1164 B6R1.1 c1cc[nH+]cc1 TS06368 [2,0,0,0,0,0|1,0,0]=3 1165 B6R1.1 c1cc[nH+]cc1 TS18771 [2,0,0,0,0,0|1,0,0]=3 1166 B6R1.1 c1cc[nH+]cc1 TS39933 [2,0,0,0,0,0|1,0,0]=3 1167 B6R1.1 c1cc[nH+]cc1 TS77092 [2,0,0,0,0,0|1,0,0]=3 1168 B6R1.1 c1ccccc1 TS03437 [2,0,0,0,0,0|0,0,0]=2 1169 B6R1.1 c1ccccc1 TS34696 [2,0,0,0,0,0|0,0,0]=2 1170 B6R1.1 c1ccccc1 TS83230 [2,0,0,0,0,0|0,0,0]=2 1171 B6R1.1 c1ccncc1 TS03813 [2,0,0,0,0,0|1,0,0]=3 1172 B6R1.1 c1ccncc1 TS13697 [2,0,0,0,0,0|1,0,0]=3 1173 B6R1.1 c1ccncc1 TS26725 [2,0,0,0,0,0|1,0,0]=3 1174 B6R1.1 c1ccncc1 TS39930 [2,0,0,0,0,0|1,0,0]=3 1175 B6R1.1 c1ccncc1 TS42102 [2,0,0,0,0,0|1,0,0]=3 1176 B6R1.1 c1ccncc1 TS59378 [2,0,0,0,0,0|1,0,0]=3 1177 B6R1.1 c1ccncc1 TS71658 [2,0,0,0,0,0|1,0,0]=3 1178 B6R1.1 c1ccncc1 TS78229 [2,0,0,0,0,0|1,0,0]=3 1179 B6R1.1 c1ccncc1 TS80042 [2,0,0,0,0,0|1,0,0]=3 1180 B6R1.1 c1ccnnc1 TS00218 [2,0,0,0,0,0|2,0,0]=4 1181 B6R1.1 c1cnccn1 TS09080 [2,0,0,0,0,0|2,0,0]=4 1182 B6R1.1 c1cncnc1 TS71665 [2,0,0,0,0,0|2,0,0]=4 1183 B8R1.2 C#Cc1ccccc1 TS39865 [1,1,0,0,0,0|0,0,1]=3 1184 B8R1.2 C#Cc1ccccn1 TS55319 [1,1,0,0,0,0|1,0,1]=4 1185 B8R1.2 C#Cc1cccnc1 TS16364 [1,1,0,0,0,0|1,0,1]=4 1186 B8R1.2 C#Cc1ccncc1 TS71113 [1,1,0,0,0,0|1,0,1]=4 1187 B8R1.2 C#Cc1ccncc1 TS90305 [1,1,0,0,0,0|1,0,1]=4 1188 B8R1.2 C=Cc1ccccc1 TS04045 [1,1,0,0,0,0|0,0,1]=3 1189 B8R1.2 C=Cc1ccccn1 TS31704 [1,1,0,0,0,0|1,0,1]=4 1190 B8R1.2 C=Cc1cccnc1 TS31705 [1,1,0,0,0,0|1,0,1]=4 1191 B8R1.2 C=Cc1ccncc1 TS33177 [1,1,0,0,0,0|1,0,1]=4 1192 B8R1.2 CCC1=CCC=CC1 TS04142 [1,1,0,0,0,0|0,0,2]=4 1193 B8R1.2 CC[n+]1ccccc1 TS40125 [1,1,0,0,0,0|1,0,0]=3 1194 B8R1.2 CC[n+]1ccccc1 TS50650 [1,1,0,0,0,0|1,0,0]=3 1195 B8R1.2 CCc1ccccc1 TS04102 [1,1,0,0,0,0|0,0,0]=2 1196 B8R1.2 CCc1ccccn1 TS55316 [1,1,0,0,0,0|1,0,0]=3 1197 B8R1.2 CCc1cccnc1 TS04113 [1,1,0,0,0,0|1,0,0]=3 1198 B8R1.2 CCc1ccncc1 TS04110 [1,1,0,0,0,0|1,0,0]=3 1199 B8R1.2 CCc1cnccn1 TS31774 [1,1,0,0,0,0|2,0,0]=4 1200 B8R1.2 CNc1ccccc1 TS31758 [1,1,0,0,0,0|0,0,0]=2 1201 B8R1.2 CNc1ccccc1 TS40129 [1,1,0,0,0,0|0,0,0]=2 1202 B8R1.2 CNc1ccccn1 TS22814 [1,1,0,0,0,0|1,0,0]=3 1203 B8R1.2 CNc1cccnc1 TS09432 [1,1,0,0,0,0|1,0,0]=3 1204 B8R1.2 CNc1ccncc1 TS16891 [1,1,0,0,0,0|1,0,0]=3 1205 B8R1.2 CNc1cnccn1 TS31803 [1,1,0,0,0,0|2,0,0]=4 1206 B8R1.2 CNc1ncccn1 TS31802 [1,1,0,0,0,0|2,0,0]=4 1207 B8R1.2 COc1ccccc1 TS39801 [1,1,0,0,0,0|0,0,0]=2 1208 B8R1.2 COc1cccnn1 TS02827 [1,1,0,0,0,0|2,0,0]=4 1209 B8R1.2 COc1ccncc1 TS03163 [1,1,0,0,0,0|1,0,0]=3 1210 B8R1.2 COc1ccncn1 TS31815 [1,1,0,0,0,0|2,0,0]=4 1211 B8R1.2 COc1cnccn1 TS55429 [1,1,0,0,0,0|2,0,0]=4 1212 B8R1.2 COc1ncccn1 TS31823 [1,1,0,0,0,0|2,0,0]=4 1213 B8R1.2 CPc1ccccc1 TS32592 [1,1,0,0,0,0|0,0,0]=2 1214 B8R1.2 CSc1ccccc1 TS36022 [1,1,0,0,0,0|0,0,0]=2 1215 B8R1.2 CSc1ccccn1 TS05101 [1,1,0,0,0,0|1,0,0]=3 1216 B8R1.2 CSc1cccnc1 TS05108 [1,1,0,0,0,0|1,0,0]=3 1217 B8R1.2 CSc1cnccn1 TS55418 [1,1,0,0,0,0|2,0,0]=4 1218 B8R1.2 CSc1ncccn1 TS36144 [1,1,0,0,0,0|2,0,0]=4 1219 B8R1.2 C[NH2+]c1ccccc1 TS49917 [1,1,0,0,0,0|0,0,0]=2 1220 B8R1.2 C[SiH2]c1ccccc1 TS04929 [1,1,0,0,0,0|0,0,0]=2 1221 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [1,1,0,0,0,0|0,0,1]=3 1222 B8R1.2 c1c(cncn1)CCl TS91001 [1,1,0,0,0,0|2,0,0]=4 1223 B8R1.2 c1c(cncn1)CCl TS91653 [1,1,0,0,0,0|2,0,0]=4 1224 B8R1.2 c1c(cncn1)CN TS55503 [1,1,0,0,0,0|2,0,0]=4 1225 B8R1.2 c1c(cncn1)CO TS55504 [1,1,0,0,0,0|2,0,0]=4 1226 B8R1.2 c1cc(cnc1)C#N TS02037 [1,1,0,0,0,0|1,0,1]=4 1227 B8R1.2 c1cc(cnc1)CBr TS09437 [1,1,0,0,0,0|1,0,0]=3 1228 B8R1.2 c1cc(cnc1)CCl TS00113 [1,1,0,0,0,0|1,0,0]=3 1229 B8R1.2 c1cc(cnc1)CCl TS02031 [1,1,0,0,0,0|1,0,0]=3 1230 B8R1.2 c1cc(cnc1)CI TS49544 [1,1,0,0,0,0|1,0,0]=3 1231 B8R1.2 c1cc(cnc1)CI TS64566 [1,1,0,0,0,0|1,0,0]=3 1232 B8R1.2 c1cc(cnc1)CN TS02883 [1,1,0,0,0,0|1,0,0]=3 1233 B8R1.2 c1cc(cnc1)CO TS92960 [1,1,0,0,0,0|1,0,0]=3 1234 B8R1.2 c1cc(cnc1)CO TS93835 [1,1,0,0,0,0|1,0,0]=3 1235 B8R1.2 c1cc(cnc1)NN TS87727 [1,1,0,0,0,0|2,0,0]=4 1236 B8R1.2 c1cc(nnc1)CCl TS90180 [1,1,0,0,0,0|2,0,0]=4 1237 B8R1.2 c1cc(nnc1)CN TS90318 [1,1,0,0,0,0|2,0,0]=4 1238 B8R1.2 c1cc(nnc1)CO TS59365 [1,1,0,0,0,0|2,0,0]=4 1239 B8R1.2 c1ccc(cc1)C#N TS01882 [1,1,0,0,0,0|0,0,1]=3 1240 B8R1.2 c1ccc(cc1)C#N TS80489 [1,1,0,0,0,0|0,0,1]=3 1241 B8R1.2 c1ccc(cc1)C=O TS43757 [1,1,0,0,0,0|0,0,1]=3 1242 B8R1.2 c1ccc(cc1)CCl TS36191 [1,1,0,0,0,0|0,0,0]=2 1243 B8R1.2 c1ccc(cc1)CF TS31826 [1,1,0,0,0,0|0,0,0]=2 1244 B8R1.2 c1ccc(cc1)CI TS09176 [1,1,0,0,0,0|0,0,0]=2 1245 B8R1.2 c1ccc(cc1)CN TS01379 [1,1,0,0,0,0|0,0,0]=2 1246 B8R1.2 c1ccc(cc1)CN TS40124 [1,1,0,0,0,0|0,0,0]=2 1247 B8R1.2 c1ccc(cc1)CO TS31769 [1,1,0,0,0,0|0,0,0]=2 1248 B8R1.2 c1ccc(cc1)CS TS36023 [1,1,0,0,0,0|0,0,0]=2 1249 B8R1.2 c1ccc(cc1)I=O TS49692 [1,1,0,0,0,0|0,0,1]=3 1250 B8R1.2 c1ccc(cc1)N=O TS31751 [1,1,0,0,0,0|0,0,1]=3 1251 B8R1.2 c1ccc(cc1)NN TS07047 [1,1,0,0,0,0|1,0,0]=3 1252 B8R1.2 c1ccc(cc1)NN TS31771 [1,1,0,0,0,0|1,0,0]=3 1253 B8R1.2 c1ccc(cc1)NN TS61145 [1,1,0,0,0,0|1,0,0]=3 1254 B8R1.2 c1ccc(cc1)NN TS76102 [1,1,0,0,0,0|1,0,0]=3 1255 B8R1.2 c1ccc(cc1)NO TS31793 [1,1,0,0,0,0|0,0,0]=2 1256 B8R1.2 c1ccc(cc1)NO TS37696 [1,1,0,0,0,0|0,0,0]=2 1257 B8R1.2 c1ccc(cc1)ON TS07146 [1,1,0,0,0,0|0,0,0]=2 1258 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [1,1,0,0,0,0|1,0,0]=3 1259 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [1,1,0,0,0,0|1,0,0]=3 1260 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [1,1,0,0,0,0|1,0,0]=3 1261 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [1,1,0,0,0,0|1,0,0]=3 1262 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [1,1,0,0,0,0|1,0,0]=3 1263 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [1,1,0,0,0,0|1,0,0]=3 1264 B8R1.2 c1ccnc(c1)C#N TS59347 [1,1,0,0,0,0|1,0,1]=4 1265 B8R1.2 c1ccnc(c1)C=O TS02469 [1,1,0,0,0,0|1,0,1]=4 1266 B8R1.2 c1ccnc(c1)CBr TS47083 [1,1,0,0,0,0|1,0,0]=3 1267 B8R1.2 c1ccnc(c1)CCl TS47089 [1,1,0,0,0,0|1,0,0]=3 1268 B8R1.2 c1ccnc(c1)CCl TS47090 [1,1,0,0,0,0|1,0,0]=3 1269 B8R1.2 c1ccnc(c1)CN TS00811 [1,1,0,0,0,0|1,0,0]=3 1270 B8R1.2 c1ccnc(c1)CO TS07144 [1,1,0,0,0,0|1,0,0]=3 1271 B8R1.2 c1ccnc(c1)CO TS31798 [1,1,0,0,0,0|1,0,0]=3 1272 B8R1.2 c1ccnc(c1)CS TS05100 [1,1,0,0,0,0|1,0,0]=3 1273 B8R1.2 c1ccnc(c1)NN TS14875 [1,1,0,0,0,0|2,0,0]=4 1274 B8R1.2 c1ccnc(c1)NN TS55380 [1,1,0,0,0,0|2,0,0]=4 1275 B8R1.2 c1cnc(cn1)CCl TS88127 [1,1,0,0,0,0|2,0,0]=4 1276 B8R1.2 c1cnc(cn1)CN TS01661 [1,1,0,0,0,0|2,0,0]=4 1277 B8R1.2 c1cnc(cn1)CO TS88438 [1,1,0,0,0,0|2,0,0]=4 1278 B8R1.2 c1cnc(cn1)CS TS36139 [1,1,0,0,0,0|2,0,0]=4 1279 B8R1.2 c1cnc(nc1)CCl TS47091 [1,1,0,0,0,0|2,0,0]=4 1280 B8R1.2 c1cnc(nc1)CCl TS88108 [1,1,0,0,0,0|2,0,0]=4 1281 B8R1.2 c1cnc(nc1)CN TS02480 [1,1,0,0,0,0|2,0,0]=4 1282 B8R1.2 c1cnc(nc1)CO TS00517 [1,1,0,0,0,0|2,0,0]=4 1283 B8R1.2 c1cnccc1C#N TS03069 [1,1,0,0,0,0|1,0,1]=4 1284 B8R1.2 c1cnccc1C=O TS59369 [1,1,0,0,0,0|1,0,1]=4 1285 B8R1.2 c1cnccc1CBr TS39318 [1,1,0,0,0,0|1,0,0]=3 1286 B8R1.2 c1cnccc1CCl TS16903 [1,1,0,0,0,0|1,0,0]=3 1287 B8R1.2 c1cnccc1CN TS31773 [1,1,0,0,0,0|1,0,0]=3 1288 B8R1.2 c1cnccc1CO TS07149 [1,1,0,0,0,0|1,0,0]=3 1289 B8R1.2 c1cnccc1CO TS71297 [1,1,0,0,0,0|1,0,0]=3 1290 B8R1.2 c1cnccc1NN TS89841 [1,1,0,0,0,0|2,0,0]=4 1291 B8R1.2 c1cncnc1CN TS16892 [1,1,0,0,0,0|2,0,0]=4 1292 B8R1.2 c1cncnc1CN TS85609 [1,1,0,0,0,0|2,0,0]=4 1293 B8R1.2 c1cncnc1CO TS33139 [1,1,0,0,0,0|2,0,0]=4 1294 B8R1.2 c1cnncc1CN TS90837 [1,1,0,0,0,0|2,0,0]=4 1295 B8R1.2 c1cnncc1CO TS89532 [1,1,0,0,0,0|2,0,0]=4 1296 B8R1.4 CC1=CCC=C(C1)C TS04144 [1,1,0,0,0,0|0,0,2]=4 1297 B8R1.4 C[n+]1cccc(c1)Br TS74567 [1,1,0,0,0,0|1,0,0]=3 1298 B8R1.4 Cc1cc(=O)[nH]nc1 TS31816 [1,1,0,0,0,0|2,0,0]=4 1299 B8R1.4 Cc1cc(ccn1)Br TS20656 [1,1,0,0,0,0|1,0,0]=3 1300 B8R1.4 Cc1cc(ccn1)Br TS85446 [1,1,0,0,0,0|1,0,0]=3 1301 B8R1.4 Cc1cc(ccn1)Cl TS42660 [1,1,0,0,0,0|1,0,0]=3 1302 B8R1.4 Cc1cc(ccn1)Cl TS71029 [1,1,0,0,0,0|1,0,0]=3 1303 B8R1.4 Cc1cc(ccn1)F TS04247 [1,1,0,0,0,0|1,0,0]=3 1304 B8R1.4 Cc1cc(ccn1)I TS22520 [1,1,0,0,0,0|1,0,0]=3 1305 B8R1.4 Cc1cc(ccn1)N TS93456 [1,1,0,0,0,0|1,0,0]=3 1306 B8R1.4 Cc1cc(ccn1)O TS03105 [1,1,0,0,0,0|1,0,0]=3 1307 B8R1.4 Cc1cc(cnc1)Br TS65935 [1,1,0,0,0,0|1,0,0]=3 1308 B8R1.4 Cc1cc(cnc1)C TS31757 [1,1,0,0,0,0|1,0,0]=3 1309 B8R1.4 Cc1cc(cnc1)Cl TS66000 [1,1,0,0,0,0|1,0,0]=3 1310 B8R1.4 Cc1cc(cnc1)F TS70587 [1,1,0,0,0,0|1,0,0]=3 1311 B8R1.4 Cc1cc(cnc1)N TS02653 [1,1,0,0,0,0|1,0,0]=3 1312 B8R1.4 Cc1cc(cnc1)O TS70616 [1,1,0,0,0,0|1,0,0]=3 1313 B8R1.4 Cc1cc(ncn1)C TS02936 [1,1,0,0,0,0|2,0,0]=4 1314 B8R1.4 Cc1cc(ncn1)Cl TS03167 [1,1,0,0,0,0|2,0,0]=4 1315 B8R1.4 Cc1cc(ncn1)N TS86037 [1,1,0,0,0,0|2,0,0]=4 1316 B8R1.4 Cc1cc(ncn1)O TS71161 [1,1,0,0,0,0|2,0,0]=4 1317 B8R1.4 Cc1cc(nnc1)Cl TS00181 [1,1,0,0,0,0|2,0,0]=4 1318 B8R1.4 Cc1cc[nH]c(=O)n1 TS87771 [1,1,0,0,0,0|2,0,0]=4 1319 B8R1.4 Cc1cccc(c1)Br TS39711 [1,1,0,0,0,0|0,0,0]=2 1320 B8R1.4 Cc1cccc(c1)C TS04101 [1,1,0,0,0,0|0,0,0]=2 1321 B8R1.4 Cc1cccc(c1)Cl TS36194 [1,1,0,0,0,0|0,0,0]=2 1322 B8R1.4 Cc1cccc(c1)F TS31827 [1,1,0,0,0,0|0,0,0]=2 1323 B8R1.4 Cc1cccc(c1)I TS49342 [1,1,0,0,0,0|0,0,0]=2 1324 B8R1.4 Cc1cccc(c1)N TS04111 [1,1,0,0,0,0|0,0,0]=2 1325 B8R1.4 Cc1cccc(c1)N TS40126 [1,1,0,0,0,0|0,0,0]=2 1326 B8R1.4 Cc1cccc(c1)O TS31767 [1,1,0,0,0,0|0,0,0]=2 1327 B8R1.4 Cc1cccc(c1)S TS05038 [1,1,0,0,0,0|0,0,0]=2 1328 B8R1.4 Cc1cccc(n1)Br TS08371 [1,1,0,0,0,0|1,0,0]=3 1329 B8R1.4 Cc1cccc(n1)Br TS94756 [1,1,0,0,0,0|1,0,0]=3 1330 B8R1.4 Cc1cccc(n1)C TS60248 [1,1,0,0,0,0|1,0,0]=3 1331 B8R1.4 Cc1cccc(n1)Cl TS00936 [1,1,0,0,0,0|1,0,0]=3 1332 B8R1.4 Cc1cccc(n1)F TS55370 [1,1,0,0,0,0|1,0,0]=3 1333 B8R1.4 Cc1cccc(n1)I TS59623 [1,1,0,0,0,0|1,0,0]=3 1334 B8R1.4 Cc1cccc(n1)N TS47459 [1,1,0,0,0,0|1,0,0]=3 1335 B8R1.4 Cc1cccc(n1)O TS01270 [1,1,0,0,0,0|1,0,0]=3 1336 B8R1.4 Cc1cccc(n1)S TS05106 [1,1,0,0,0,0|1,0,0]=3 1337 B8R1.4 Cc1cccn(=O)c1 TS02882 [1,1,0,0,0,0|1,0,0]=3 1338 B8R1.4 Cc1ccnc(c1)Br TS08333 [1,1,0,0,0,0|1,0,0]=3 1339 B8R1.4 Cc1ccnc(c1)C TS07700 [1,1,0,0,0,0|1,0,0]=3 1340 B8R1.4 Cc1ccnc(c1)Cl TS55236 [1,1,0,0,0,0|1,0,0]=3 1341 B8R1.4 Cc1ccnc(c1)F TS85429 [1,1,0,0,0,0|1,0,0]=3 1342 B8R1.4 Cc1ccnc(c1)I TS33096 [1,1,0,0,0,0|1,0,0]=3 1343 B8R1.4 Cc1ccnc(c1)O TS01045 [1,1,0,0,0,0|1,0,0]=3 1344 B8R1.4 Cc1ccnc(n1)Br TS08334 [1,1,0,0,0,0|2,0,0]=4 1345 B8R1.4 Cc1ccnc(n1)Cl TS00889 [1,1,0,0,0,0|2,0,0]=4 1346 B8R1.4 Cc1ccnc(n1)N TS47413 [1,1,0,0,0,0|2,0,0]=4 1347 B8R1.4 Cc1ccnc(n1)O TS01046 [1,1,0,0,0,0|2,0,0]=4 1348 B8R1.4 Cc1ccnc(n1)S TS36140 [1,1,0,0,0,0|2,0,0]=4 1349 B8R1.4 Cc1cncc(n1)Br TS08370 [1,1,0,0,0,0|2,0,0]=4 1350 B8R1.4 Cc1cncc(n1)C TS31775 [1,1,0,0,0,0|2,0,0]=4 1351 B8R1.4 Cc1cncc(n1)Cl TS00934 [1,1,0,0,0,0|2,0,0]=4 1352 B8R1.4 Cc1cncc(n1)N TS01269 [1,1,0,0,0,0|2,0,0]=4 1353 B8R1.4 Cc1cncc(n1)O TS01059 [1,1,0,0,0,0|2,0,0]=4 1354 B8R1.4 Cc1nccc(n1)Cl TS71022 [1,1,0,0,0,0|2,0,0]=4 1355 B8R1.4 Cc1nccc(n1)O TS03106 [1,1,0,0,0,0|2,0,0]=4 1356 B8R1.4 c1c(cncc1Br)Br TS02580 [1,1,0,0,0,0|2,0,0]=4 1357 B8R1.4 c1c(cncc1Br)Cl TS85436 [1,1,0,0,0,0|2,0,0]=4 1358 B8R1.4 c1c(cncc1Br)F TS16987 [1,1,0,0,0,0|2,0,0]=4 1359 B8R1.4 c1c(cncc1Br)N TS09813 [1,1,0,0,0,0|2,0,0]=4 1360 B8R1.4 c1c(cncc1Br)O TS65929 [1,1,0,0,0,0|1,0,0]=3 1361 B8R1.4 c1c(cncc1Cl)Cl TS65794 [1,1,0,0,0,0|2,0,0]=4 1362 B8R1.4 c1c(cncc1Cl)F TS65996 [1,1,0,0,0,0|2,0,0]=4 1363 B8R1.4 c1c(cncc1Cl)N TS02649 [1,1,0,0,0,0|2,0,0]=4 1364 B8R1.4 c1c(cncc1Cl)O TS03267 [1,1,0,0,0,0|1,0,0]=3 1365 B8R1.4 c1c(cncc1F)N TS16742 [1,1,0,0,0,0|2,0,0]=4 1366 B8R1.4 c1c(cncc1F)N TS85434 [1,1,0,0,0,0|2,0,0]=4 1367 B8R1.4 c1c(cncc1F)O TS70584 [1,1,0,0,0,0|1,0,0]=3 1368 B8R1.4 c1c(cncc1I)Br TS65930 [1,1,0,0,0,0|2,0,0]=4 1369 B8R1.4 c1c(cncc1I)Cl TS57281 [1,1,0,0,0,0|2,0,0]=4 1370 B8R1.4 c1c(cncc1I)F TS50246 [1,1,0,0,0,0|2,0,0]=4 1371 B8R1.4 c1c(cncc1I)I TS87998 [1,1,0,0,0,0|2,0,0]=4 1372 B8R1.4 c1c(cncc1I)N TS02651 [1,1,0,0,0,0|2,0,0]=4 1373 B8R1.4 c1c(cncc1N)N TS02192 [1,1,0,0,0,0|2,0,0]=4 1374 B8R1.4 c1c(cncc1O)N TS31814 [1,1,0,0,0,0|1,0,0]=3 1375 B8R1.4 c1c(cncc1O)O TS02592 [1,1,0,0,0,0|1,0,0]=3 1376 B8R1.4 c1c(ncnc1Cl)O TS08422 [1,1,0,0,0,0|2,0,0]=4 1377 B8R1.4 c1c(ncnc1O)O TS70839 [1,1,0,0,0,0|2,0,0]=4 1378 B8R1.4 c1cc(cc(c1)Br)Br TS46796 [1,1,0,0,0,0|1,0,0]=3 1379 B8R1.4 c1cc(cc(c1)Br)Cl TS00027 [1,1,0,0,0,0|1,0,0]=3 1380 B8R1.4 c1cc(cc(c1)Br)F TS65943 [1,1,0,0,0,0|1,0,0]=3 1381 B8R1.4 c1cc(cc(c1)Br)N TS60009 [1,1,0,0,0,0|1,0,0]=3 1382 B8R1.4 c1cc(cc(c1)Br)O TS65958 [1,1,0,0,0,0|0,0,0]=2 1383 B8R1.4 c1cc(cc(c1)Br)S TS09503 [1,1,0,0,0,0|0,1,0]=3 1384 B8R1.4 c1cc(cc(c1)Cl)Cl TS59887 [1,1,0,0,0,0|1,0,0]=3 1385 B8R1.4 c1cc(cc(c1)Cl)F TS08691 [1,1,0,0,0,0|1,0,0]=3 1386 B8R1.4 c1cc(cc(c1)Cl)N TS02027 [1,1,0,0,0,0|1,0,0]=3 1387 B8R1.4 c1cc(cc(c1)Cl)N TS42658 [1,1,0,0,0,0|1,0,0]=3 1388 B8R1.4 c1cc(cc(c1)Cl)O TS02721 [1,1,0,0,0,0|0,0,0]=2 1389 B8R1.4 c1cc(cc(c1)Cl)S TS07051 [1,1,0,0,0,0|0,1,0]=3 1390 B8R1.4 c1cc(cc(c1)F)F TS07881 [1,1,0,0,0,0|1,0,0]=3 1391 B8R1.4 c1cc(cc(c1)F)N TS07389 [1,1,0,0,0,0|1,0,0]=3 1392 B8R1.4 c1cc(cc(c1)F)N TS70590 [1,1,0,0,0,0|1,0,0]=3 1393 B8R1.4 c1cc(cc(c1)F)O TS70601 [1,1,0,0,0,0|0,0,0]=2 1394 B8R1.4 c1cc(cc(c1)I)Br TS46926 [1,1,0,0,0,0|1,0,0]=3 1395 B8R1.4 c1cc(cc(c1)I)Cl TS26262 [1,1,0,0,0,0|1,0,0]=3 1396 B8R1.4 c1cc(cc(c1)I)F TS70597 [1,1,0,0,0,0|1,0,0]=3 1397 B8R1.4 c1cc(cc(c1)I)I TS65281 [1,1,0,0,0,0|1,0,0]=3 1398 B8R1.4 c1cc(cc(c1)I)N TS39444 [1,1,0,0,0,0|1,0,0]=3 1399 B8R1.4 c1cc(cc(c1)I)O TS49693 [1,1,0,0,0,0|0,0,0]=2 1400 B8R1.4 c1cc(cc(c1)N)N TS31777 [1,1,0,0,0,0|1,0,0]=3 1401 B8R1.4 c1cc(cc(c1)N)N TS38980 [1,1,0,0,0,0|1,0,0]=3 1402 B8R1.4 c1cc(cc(c1)N)N TS48030 [1,1,0,0,0,0|1,0,0]=3 1403 B8R1.4 c1cc(cc(c1)O)N TS07147 [1,1,0,0,0,0|0,0,0]=2 1404 B8R1.4 c1cc(cc(c1)O)N TS39704 [1,1,0,0,0,0|0,0,0]=2 1405 B8R1.4 c1cc(cc(c1)O)O TS04191 [1,1,0,0,0,0|0,0,0]=2 1406 B8R1.4 c1cc(cc(c1)S)F TS02772 [1,1,0,0,0,0|0,1,0]=3 1407 B8R1.4 c1cc(cc(c1)S)N TS05107 [1,1,0,0,0,0|0,1,0]=3 1408 B8R1.4 c1cc(cc(c1)S)O TS00159 [1,1,0,0,0,0|0,0,0]=2 1409 B8R1.4 c1cc(cc(c1)S)S TS06771 [1,1,0,0,0,0|0,1,0]=3 1410 B8R1.4 c1cc(cc(c1)[Zn+])Cl TS59236 [1,1,0,0,0,0|1,0,0]=3 1411 B8R1.4 c1cc(cn(=O)c1)Br TS45713 [1,1,0,0,0,0|1,0,1]=4 1412 B8R1.4 c1cc(cn(=O)c1)Cl TS05503 [1,1,0,0,0,0|1,0,1]=4 1413 B8R1.4 c1cc(cn(=O)c1)F TS65086 [1,1,0,0,0,0|1,0,1]=4 1414 B8R1.4 c1cc(cn(=O)c1)O TS04234 [1,1,0,0,0,0|1,0,0]=3 1415 B8R1.4 c1cc(nc(c1)Br)Br TS00699 [1,1,0,0,0,0|2,0,0]=4 1416 B8R1.4 c1cc(nc(c1)Br)Cl TS55142 [1,1,0,0,0,0|2,0,0]=4 1417 B8R1.4 c1cc(nc(c1)Br)F TS08361 [1,1,0,0,0,0|2,0,0]=4 1418 B8R1.4 c1cc(nc(c1)Br)N TS00798 [1,1,0,0,0,0|2,0,0]=4 1419 B8R1.4 c1cc(nc(c1)Br)O TS08364 [1,1,0,0,0,0|1,0,0]=3 1420 B8R1.4 c1cc(nc(c1)Cl)Cl TS34640 [1,1,0,0,0,0|2,0,0]=4 1421 B8R1.4 c1cc(nc(c1)Cl)F TS55260 [1,1,0,0,0,0|2,0,0]=4 1422 B8R1.4 c1cc(nc(c1)Cl)N TS00804 [1,1,0,0,0,0|2,0,0]=4 1423 B8R1.4 c1cc(nc(c1)Cl)O TS55264 [1,1,0,0,0,0|1,0,0]=3 1424 B8R1.4 c1cc(nc(c1)F)F TS47310 [1,1,0,0,0,0|2,0,0]=4 1425 B8R1.4 c1cc(nc(c1)F)N TS00806 [1,1,0,0,0,0|2,0,0]=4 1426 B8R1.4 c1cc(nc(c1)F)O TS32004 [1,1,0,0,0,0|1,0,0]=3 1427 B8R1.4 c1cc(nc(c1)I)Br TS54680 [1,1,0,0,0,0|2,0,0]=4 1428 B8R1.4 c1cc(nc(c1)I)Cl TS57280 [1,1,0,0,0,0|2,0,0]=4 1429 B8R1.4 c1cc(nc(c1)I)I TS07928 [1,1,0,0,0,0|2,0,0]=4 1430 B8R1.4 c1cc(nc(c1)I)N TS39789 [1,1,0,0,0,0|2,0,0]=4 1431 B8R1.4 c1cc(nc(c1)N)N TS00686 [1,1,0,0,0,0|2,0,0]=4 1432 B8R1.4 c1cc(nc(c1)N)N TS20354 [1,1,0,0,0,0|2,0,0]=4 1433 B8R1.4 c1cc(nc(c1)O)N TS00808 [1,1,0,0,0,0|1,0,0]=3 1434 B8R1.4 c1cc(nc(c1)O)O TS07388 [1,1,0,0,0,0|1,0,0]=3 1435 B8R1.4 c1cc(nc(c1)O)O TS47313 [1,1,0,0,0,0|1,0,0]=3 1436 B8R1.4 c1cc(nc(c1)S)S TS06879 [1,1,0,0,0,0|1,1,0]=4 1437 B8R1.4 c1cnc(cc1Br)Br TS47198 [1,1,0,0,0,0|2,0,0]=4 1438 B8R1.4 c1cnc(cc1Br)Cl TS85435 [1,1,0,0,0,0|2,0,0]=4 1439 B8R1.4 c1cnc(cc1Br)F TS16945 [1,1,0,0,0,0|2,0,0]=4 1440 B8R1.4 c1cnc(cc1Br)I TS54678 [1,1,0,0,0,0|2,0,0]=4 1441 B8R1.4 c1cnc(cc1Br)N TS47392 [1,1,0,0,0,0|2,0,0]=4 1442 B8R1.4 c1cnc(cc1Br)O TS70957 [1,1,0,0,0,0|1,0,0]=3 1443 B8R1.4 c1cnc(cc1Cl)Br TS55100 [1,1,0,0,0,0|2,0,0]=4 1444 B8R1.4 c1cnc(cc1Cl)Cl TS00617 [1,1,0,0,0,0|2,0,0]=4 1445 B8R1.4 c1cnc(cc1Cl)Cl TS85445 [1,1,0,0,0,0|2,0,0]=4 1446 B8R1.4 c1cnc(cc1Cl)F TS03044 [1,1,0,0,0,0|2,0,0]=4 1447 B8R1.4 c1cnc(cc1Cl)N TS00747 [1,1,0,0,0,0|2,0,0]=4 1448 B8R1.4 c1cnc(cc1Cl)O TS03047 [1,1,0,0,0,0|1,0,0]=3 1449 B8R1.4 c1cnc(cc1F)Br TS08322 [1,1,0,0,0,0|2,0,0]=4 1450 B8R1.4 c1cnc(cc1F)Cl TS55216 [1,1,0,0,0,0|2,0,0]=4 1451 B8R1.4 c1cnc(cc1F)F TS47221 [1,1,0,0,0,0|2,0,0]=4 1452 B8R1.4 c1cnc(cc1F)N TS00754 [1,1,0,0,0,0|2,0,0]=4 1453 B8R1.4 c1cnc(cc1F)O TS32002 [1,1,0,0,0,0|1,0,0]=3 1454 B8R1.4 c1cnc(cc1I)Br TS08326 [1,1,0,0,0,0|2,0,0]=4 1455 B8R1.4 c1cnc(cc1I)Cl TS55222 [1,1,0,0,0,0|2,0,0]=4 1456 B8R1.4 c1cnc(cc1I)F TS08421 [1,1,0,0,0,0|2,0,0]=4 1457 B8R1.4 c1cnc(cc1I)I TS63698 [1,1,0,0,0,0|2,0,0]=4 1458 B8R1.4 c1cnc(cc1I)N TS49694 [1,1,0,0,0,0|2,0,0]=4 1459 B8R1.4 c1cnc(cc1N)Br TS70872 [1,1,0,0,0,0|2,0,0]=4 1460 B8R1.4 c1cnc(cc1N)Cl TS75450 [1,1,0,0,0,0|2,0,0]=4 1461 B8R1.4 c1cnc(cc1N)Cl TS89130 [1,1,0,0,0,0|2,0,0]=4 1462 B8R1.4 c1cnc(cc1N)F TS01037 [1,1,0,0,0,0|2,0,0]=4 1463 B8R1.4 c1cnc(cc1N)N TS59371 [1,1,0,0,0,0|2,0,0]=4 1464 B8R1.4 c1cnc(cc1N)O TS02965 [1,1,0,0,0,0|1,0,0]=3 1465 B8R1.4 c1cnc(cc1N)O TS86931 [1,1,0,0,0,0|1,0,0]=3 1466 B8R1.4 c1cnc(cc1O)Br TS08324 [1,1,0,0,0,0|1,0,0]=3 1467 B8R1.4 c1cnc(cc1O)Cl TS55220 [1,1,0,0,0,0|1,0,0]=3 1468 B8R1.4 c1cnc(cc1O)F TS32003 [1,1,0,0,0,0|1,0,0]=3 1469 B8R1.4 c1cnc(cc1O)N TS47399 [1,1,0,0,0,0|1,0,0]=3 1470 B8R1.4 c1cnc(cc1O)O TS04243 [1,1,0,0,0,0|1,0,0]=3 1471 B8R1.4 c1cnc(nc1O)N TS04245 [1,1,0,0,0,0|2,0,0]=4 1472 B8R1.4 c1cnc(nc1O)O TS39605 [1,1,0,0,0,0|2,0,0]=4 1473 B8R1.5 C[n+]1ccccc1Cl TS08381 [1,1,0,0,0,0|1,0,0]=3 1474 B8R1.5 C[n+]1ccccc1Cl TS20654 [1,1,0,0,0,0|1,0,0]=3 1475 B8R1.5 Cc1c(cccn1)Br TS65908 [1,1,0,0,0,0|1,0,0]=3 1476 B8R1.5 Cc1c(cccn1)Cl TS65978 [1,1,0,0,0,0|1,0,0]=3 1477 B8R1.5 Cc1c(cccn1)F TS70573 [1,1,0,0,0,0|1,0,0]=3 1478 B8R1.5 Cc1c(cccn1)I TS02809 [1,1,0,0,0,0|1,0,0]=3 1479 B8R1.5 Cc1c(cccn1)N TS31778 [1,1,0,0,0,0|1,0,0]=3 1480 B8R1.5 Cc1c(cccn1)O TS87617 [1,1,0,0,0,0|1,0,0]=3 1481 B8R1.5 Cc1c(cncn1)Br TS17002 [1,1,0,0,0,0|2,0,0]=4 1482 B8R1.5 Cc1c(cncn1)N TS03237 [1,1,0,0,0,0|2,0,0]=4 1483 B8R1.5 Cc1c(nccn1)Br TS08309 [1,1,0,0,0,0|2,0,0]=4 1484 B8R1.5 Cc1c(nccn1)C TS47169 [1,1,0,0,0,0|2,0,0]=4 1485 B8R1.5 Cc1c(nccn1)Cl TS55202 [1,1,0,0,0,0|2,0,0]=4 1486 B8R1.5 Cc1c(nccn1)I TS89593 [1,1,0,0,0,0|2,0,0]=4 1487 B8R1.5 Cc1c(nccn1)N TS00719 [1,1,0,0,0,0|2,0,0]=4 1488 B8R1.5 Cc1c(nccn1)O TS55386 [1,1,0,0,0,0|2,0,0]=4 1489 B8R1.5 Cc1ccc[nH]c1=O TS55401 [1,1,0,0,0,0|1,0,0]=3 1490 B8R1.5 Cc1cccc[n+]1C TS25681 [1,1,0,0,0,0|1,0,0]=3 1491 B8R1.5 Cc1ccccc1Br TS00024 [1,1,0,0,0,0|0,0,0]=2 1492 B8R1.5 Cc1ccccc1C TS04099 [1,1,0,0,0,0|0,0,0]=2 1493 B8R1.5 Cc1ccccc1Cl TS36192 [1,1,0,0,0,0|0,0,0]=2 1494 B8R1.5 Cc1ccccc1F TS31828 [1,1,0,0,0,0|0,0,0]=2 1495 B8R1.5 Cc1ccccc1I TS49343 [1,1,0,0,0,0|0,0,0]=2 1496 B8R1.5 Cc1ccccc1N TS40130 [1,1,0,0,0,0|0,0,0]=2 1497 B8R1.5 Cc1ccccc1N TS46845 [1,1,0,0,0,0|0,0,0]=2 1498 B8R1.5 Cc1ccccc1O TS31768 [1,1,0,0,0,0|0,0,0]=2 1499 B8R1.5 Cc1ccccc1S TS05037 [1,1,0,0,0,0|0,0,0]=2 1500 B8R1.5 Cc1ccccn1=O TS00106 [1,1,0,0,0,0|1,0,0]=3 1501 B8R1.5 Cc1cccnc1Br TS08310 [1,1,0,0,0,0|1,0,0]=3 1502 B8R1.5 Cc1cccnc1C TS07903 [1,1,0,0,0,0|1,0,0]=3 1503 B8R1.5 Cc1cccnc1Cl TS55203 [1,1,0,0,0,0|1,0,0]=3 1504 B8R1.5 Cc1cccnc1F TS08402 [1,1,0,0,0,0|1,0,0]=3 1505 B8R1.5 Cc1cccnc1I TS01069 [1,1,0,0,0,0|1,0,0]=3 1506 B8R1.5 Cc1cccnc1N TS00720 [1,1,0,0,0,0|1,0,0]=3 1507 B8R1.5 Cc1cccnc1N TS01794 [1,1,0,0,0,0|1,0,0]=3 1508 B8R1.5 Cc1cccnc1O TS31800 [1,1,0,0,0,0|1,0,0]=3 1509 B8R1.5 Cc1cccnc1[Zn+] TS26092 [1,1,0,0,0,0|1,0,0]=3 1510 B8R1.5 Cc1ccn[nH]c1=O TS70611 [1,1,0,0,0,0|2,0,0]=4 1511 B8R1.5 Cc1ccncc1Br TS09458 [1,1,0,0,0,0|1,0,0]=3 1512 B8R1.5 Cc1ccncc1C TS00124 [1,1,0,0,0,0|1,0,0]=3 1513 B8R1.5 Cc1ccncc1Cl TS65986 [1,1,0,0,0,0|1,0,0]=3 1514 B8R1.5 Cc1ccncc1F TS70582 [1,1,0,0,0,0|1,0,0]=3 1515 B8R1.5 Cc1ccncc1N TS02641 [1,1,0,0,0,0|1,0,0]=3 1516 B8R1.5 Cc1ccncc1O TS03183 [1,1,0,0,0,0|1,0,0]=3 1517 B8R1.5 Cc1ccnnc1Cl TS02026 [1,1,0,0,0,0|2,0,0]=4 1518 B8R1.5 Cc1cnccc1Br TS39326 [1,1,0,0,0,0|1,0,0]=3 1519 B8R1.5 Cc1cnccc1Br TS88793 [1,1,0,0,0,0|1,0,0]=3 1520 B8R1.5 Cc1cnccc1F TS71122 [1,1,0,0,0,0|1,0,0]=3 1521 B8R1.5 Cc1cnccc1N TS70892 [1,1,0,0,0,0|1,0,0]=3 1522 B8R1.5 Cc1cnccc1O TS70666 [1,1,0,0,0,0|1,0,0]=3 1523 B8R1.5 Cc1cncnc1Cl TS71045 [1,1,0,0,0,0|2,0,0]=4 1524 B8R1.5 Cc1cncnc1O TS59515 [1,1,0,0,0,0|2,0,0]=4 1525 B8R1.5 Cn1ccccc1=O TS31799 [1,1,0,0,0,0|1,0,0]=3 1526 B8R1.5 Cn1ccccc1=S TS05102 [1,1,0,0,0,0|1,0,0]=3 1527 B8R1.5 c1c(c(=O)nc[nH]1)O TS03331 [1,1,0,0,0,0|2,0,0]=4 1528 B8R1.5 c1c(c(ncn1)O)Br TS91053 [1,1,0,0,0,0|2,0,0]=4 1529 B8R1.5 c1c(c(ncn1)O)Cl TS86679 [1,1,0,0,0,0|2,0,0]=4 1530 B8R1.5 c1c(c(ncn1)O)F TS03316 [1,1,0,0,0,0|2,0,0]=4 1531 B8R1.5 c1c(c(ncn1)O)I TS91520 [1,1,0,0,0,0|2,0,0]=4 1532 B8R1.5 c1c[nH]cc(c1=O)I TS23215 [1,1,0,0,0,0|1,0,1]=4 1533 B8R1.5 c1cc(c(=O)oc1)O TS00155 [1,1,0,0,0,0|1,0,0]=3 1534 B8R1.5 c1cc(c(=S)[nH]c1)N TS36142 [1,1,0,0,0,0|1,1,0]=4 1535 B8R1.5 c1cc(c(nc1)Br)Br TS47142 [1,1,0,0,0,0|2,0,0]=4 1536 B8R1.5 c1cc(c(nc1)Br)Cl TS08294 [1,1,0,0,0,0|2,0,0]=4 1537 B8R1.5 c1cc(c(nc1)Br)F TS08302 [1,1,0,0,0,0|2,0,0]=4 1538 B8R1.5 c1cc(c(nc1)Br)N TS02623 [1,1,0,0,0,0|2,0,0]=4 1539 B8R1.5 c1cc(c(nc1)Br)N TS20796 [1,1,0,0,0,0|2,0,0]=4 1540 B8R1.5 c1cc(c(nc1)Br)O TS08304 [1,1,0,0,0,0|1,0,0]=3 1541 B8R1.5 c1cc(c(nc1)Cl)Br TS16857 [1,1,0,0,0,0|2,0,0]=4 1542 B8R1.5 c1cc(c(nc1)Cl)Cl TS47154 [1,1,0,0,0,0|2,0,0]=4 1543 B8R1.5 c1cc(c(nc1)Cl)F TS55193 [1,1,0,0,0,0|2,0,0]=4 1544 B8R1.5 c1cc(c(nc1)Cl)I TS55194 [1,1,0,0,0,0|2,0,0]=4 1545 B8R1.5 c1cc(c(nc1)Cl)N TS88773 [1,1,0,0,0,0|2,0,0]=4 1546 B8R1.5 c1cc(c(nc1)Cl)O TS05504 [1,1,0,0,0,0|1,0,0]=3 1547 B8R1.5 c1cc(c(nc1)F)Br TS16866 [1,1,0,0,0,0|2,0,0]=4 1548 B8R1.5 c1cc(c(nc1)F)Cl TS65972 [1,1,0,0,0,0|2,0,0]=4 1549 B8R1.5 c1cc(c(nc1)F)F TS00561 [1,1,0,0,0,0|2,0,0]=4 1550 B8R1.5 c1cc(c(nc1)F)I TS55327 [1,1,0,0,0,0|2,0,0]=4 1551 B8R1.5 c1cc(c(nc1)F)N TS02630 [1,1,0,0,0,0|2,0,0]=4 1552 B8R1.5 c1cc(c(nc1)F)N TS40702 [1,1,0,0,0,0|2,0,0]=4 1553 B8R1.5 c1cc(c(nc1)F)O TS55326 [1,1,0,0,0,0|1,0,0]=3 1554 B8R1.5 c1cc(c(nc1)I)Cl TS57282 [1,1,0,0,0,0|2,0,0]=4 1555 B8R1.5 c1cc(c(nc1)I)F TS70569 [1,1,0,0,0,0|2,0,0]=4 1556 B8R1.5 c1cc(c(nc1)I)I TS63699 [1,1,0,0,0,0|2,0,0]=4 1557 B8R1.5 c1cc(c(nc1)I)N TS02634 [1,1,0,0,0,0|2,0,0]=4 1558 B8R1.5 c1cc(c(nc1)I)O TS01068 [1,1,0,0,0,0|1,0,0]=3 1559 B8R1.5 c1cc(c(nc1)N)Br TS08286 [1,1,0,0,0,0|2,0,0]=4 1560 B8R1.5 c1cc(c(nc1)N)Cl TS47358 [1,1,0,0,0,0|2,0,0]=4 1561 B8R1.5 c1cc(c(nc1)N)F TS47362 [1,1,0,0,0,0|2,0,0]=4 1562 B8R1.5 c1cc(c(nc1)N)I TS47370 [1,1,0,0,0,0|2,0,0]=4 1563 B8R1.5 c1cc(c(nc1)N)N TS00550 [1,1,0,0,0,0|2,0,0]=4 1564 B8R1.5 c1cc(c(nc1)N)O TS07282 [1,1,0,0,0,0|1,0,0]=3 1565 B8R1.5 c1cc(c(nc1)N)O TS47366 [1,1,0,0,0,0|1,0,0]=3 1566 B8R1.5 c1cc(c(nc1)N)S TS36141 [1,1,0,0,0,0|1,1,0]=4 1567 B8R1.5 c1cc(c(nc1)O)Br TS09496 [1,1,0,0,0,0|1,0,0]=3 1568 B8R1.5 c1cc(c(nc1)O)Cl TS65974 [1,1,0,0,0,0|1,0,0]=3 1569 B8R1.5 c1cc(c(nc1)O)F TS70564 [1,1,0,0,0,0|1,0,0]=3 1570 B8R1.5 c1cc(c(nc1)O)N TS31820 [1,1,0,0,0,0|1,0,0]=3 1571 B8R1.5 c1cc(c(nc1)O)O TS04242 [1,1,0,0,0,0|1,0,0]=3 1572 B8R1.5 c1cc(c(nc1)S)O TS05265 [1,1,0,0,0,0|1,0,0]=3 1573 B8R1.5 c1cc[n+](c(c1)O)[O-] TS93221 [1,1,0,0,0,0|1,0,0]=3 1574 B8R1.5 c1cc[n+](c(c1)S)[O-] TS93094 [1,1,0,0,0,0|1,0,1]=4 1575 B8R1.5 c1ccc(c(c1)Br)Br TS46780 [1,1,0,0,0,0|1,0,0]=3 1576 B8R1.5 c1ccc(c(c1)Br)I TS65287 [1,1,0,0,0,0|1,0,0]=3 1577 B8R1.5 c1ccc(c(c1)Cl)Br TS00021 [1,1,0,0,0,0|1,0,0]=3 1578 B8R1.5 c1ccc(c(c1)Cl)Cl TS40486 [1,1,0,0,0,0|1,0,0]=3 1579 B8R1.5 c1ccc(c(c1)Cl)I TS26261 [1,1,0,0,0,0|1,0,0]=3 1580 B8R1.5 c1ccc(c(c1)Cl)[Zn+] TS59237 [1,1,0,0,0,0|1,0,0]=3 1581 B8R1.5 c1ccc(c(c1)F)Br TS46916 [1,1,0,0,0,0|1,0,0]=3 1582 B8R1.5 c1ccc(c(c1)F)Cl TS02147 [1,1,0,0,0,0|1,0,0]=3 1583 B8R1.5 c1ccc(c(c1)F)F TS07875 [1,1,0,0,0,0|1,0,0]=3 1584 B8R1.5 c1ccc(c(c1)F)I TS65430 [1,1,0,0,0,0|1,0,0]=3 1585 B8R1.5 c1ccc(c(c1)F)S TS46406 [1,1,0,0,0,0|0,1,0]=3 1586 B8R1.5 c1ccc(c(c1)I)I TS65275 [1,1,0,0,0,0|1,0,0]=3 1587 B8R1.5 c1ccc(c(c1)N)Br TS20655 [1,1,0,0,0,0|1,0,0]=3 1588 B8R1.5 c1ccc(c(c1)N)Br TS55149 [1,1,0,0,0,0|1,0,0]=3 1589 B8R1.5 c1ccc(c(c1)N)F TS39663 [1,1,0,0,0,0|1,0,0]=3 1590 B8R1.5 c1ccc(c(c1)N)I TS01078 [1,1,0,0,0,0|1,0,0]=3 1591 B8R1.5 c1ccc(c(c1)N)N TS31770 [1,1,0,0,0,0|1,0,0]=3 1592 B8R1.5 c1ccc(c(c1)N)N TS38979 [1,1,0,0,0,0|1,0,0]=3 1593 B8R1.5 c1ccc(c(c1)N)N TS48029 [1,1,0,0,0,0|1,0,0]=3 1594 B8R1.5 c1ccc(c(c1)N)O TS00817 [1,1,0,0,0,0|0,0,0]=2 1595 B8R1.5 c1ccc(c(c1)N)O TS07143 [1,1,0,0,0,0|0,0,0]=2 1596 B8R1.5 c1ccc(c(c1)N)O TS76832 [1,1,0,0,0,0|0,0,0]=2 1597 B8R1.5 c1ccc(c(c1)N)S TS47467 [1,1,0,0,0,0|0,1,0]=3 1598 B8R1.5 c1ccc(c(c1)O)Br TS00855 [1,1,0,0,0,0|0,0,0]=2 1599 B8R1.5 c1ccc(c(c1)O)Cl TS36378 [1,1,0,0,0,0|0,0,0]=2 1600 B8R1.5 c1ccc(c(c1)O)F TS04282 [1,1,0,0,0,0|0,0,0]=2 1601 B8R1.5 c1ccc(c(c1)O)I TS49691 [1,1,0,0,0,0|0,0,0]=2 1602 B8R1.5 c1ccc(c(c1)O)O TS01670 [1,1,0,0,0,0|0,0,0]=2 1603 B8R1.5 c1ccc(c(c1)O)S TS36136 [1,1,0,0,0,0|0,0,0]=2 1604 B8R1.5 c1ccc(c(c1)P)P TS06642 [1,1,0,0,0,0|1,0,0]=3 1605 B8R1.5 c1ccc(c(c1)S)Br TS50856 [1,1,0,0,0,0|0,1,0]=3 1606 B8R1.5 c1ccc(c(c1)S)Cl TS07050 [1,1,0,0,0,0|0,1,0]=3 1607 B8R1.5 c1ccc(c(c1)S)S TS06772 [1,1,0,0,0,0|0,1,0]=3 1608 B8R1.5 c1ccn(=O)c(c1)Br TS07709 [1,1,0,0,0,0|1,0,1]=4 1609 B8R1.5 c1ccn(=O)c(c1)Br TS43892 [1,1,0,0,0,0|1,0,1]=4 1610 B8R1.5 c1ccn(=O)c(c1)Cl TS42984 [1,1,0,0,0,0|1,0,1]=4 1611 B8R1.5 c1ccn(=O)c(c1)Cl TS85343 [1,1,0,0,0,0|1,0,1]=4 1612 B8R1.5 c1ccn(=O)c(c1)N TS04192 [1,1,0,0,0,0|1,0,1]=4 1613 B8R1.5 c1ccn(=O)c(c1)O TS04239 [1,1,0,0,0,0|1,0,0]=3 1614 B8R1.5 c1ccn(=O)c(c1)[S-] TS07545 [1,1,0,0,0,0|1,0,1]=4 1615 B8R1.5 c1cnc(c(n1)O)O TS04272 [1,1,0,0,0,0|2,0,0]=4 1616 B8R1.5 c1cncc(c1Br)Br TS02534 [1,1,0,0,0,0|2,0,0]=4 1617 B8R1.5 c1cncc(c1Br)Cl TS09572 [1,1,0,0,0,0|2,0,0]=4 1618 B8R1.5 c1cncc(c1Br)F TS88832 [1,1,0,0,0,0|2,0,0]=4 1619 B8R1.5 c1cncc(c1Br)I TS54679 [1,1,0,0,0,0|2,0,0]=4 1620 B8R1.5 c1cncc(c1Br)N TS65852 [1,1,0,0,0,0|2,0,0]=4 1621 B8R1.5 c1cncc(c1Br)O TS09582 [1,1,0,0,0,0|1,0,0]=3 1622 B8R1.5 c1cncc(c1Cl)Br TS52758 [1,1,0,0,0,0|2,0,0]=4 1623 B8R1.5 c1cncc(c1Cl)Br TS65918 [1,1,0,0,0,0|2,0,0]=4 1624 B8R1.5 c1cncc(c1Cl)Cl TS15363 [1,1,0,0,0,0|2,0,0]=4 1625 B8R1.5 c1cncc(c1Cl)Cl TS65745 [1,1,0,0,0,0|2,0,0]=4 1626 B8R1.5 c1cncc(c1Cl)I TS57279 [1,1,0,0,0,0|2,0,0]=4 1627 B8R1.5 c1cncc(c1Cl)N TS65854 [1,1,0,0,0,0|2,0,0]=4 1628 B8R1.5 c1cncc(c1Cl)O TS09640 [1,1,0,0,0,0|1,0,0]=3 1629 B8R1.5 c1cncc(c1F)Br TS09450 [1,1,0,0,0,0|2,0,0]=4 1630 B8R1.5 c1cncc(c1F)Cl TS36634 [1,1,0,0,0,0|2,0,0]=4 1631 B8R1.5 c1cncc(c1F)F TS32143 [1,1,0,0,0,0|2,0,0]=4 1632 B8R1.5 c1cncc(c1I)Cl TS02697 [1,1,0,0,0,0|2,0,0]=4 1633 B8R1.5 c1cncc(c1I)Cl TS85392 [1,1,0,0,0,0|2,0,0]=4 1634 B8R1.5 c1cncc(c1I)F TS50244 [1,1,0,0,0,0|2,0,0]=4 1635 B8R1.5 c1cncc(c1I)N TS09721 [1,1,0,0,0,0|2,0,0]=4 1636 B8R1.5 c1cncc(c1I)N TS88838 [1,1,0,0,0,0|2,0,0]=4 1637 B8R1.5 c1cncc(c1N)F TS70882 [1,1,0,0,0,0|2,0,0]=4 1638 B8R1.5 c1cncc(c1N)F TS85432 [1,1,0,0,0,0|2,0,0]=4 1639 B8R1.5 c1cncc(c1N)I TS70887 [1,1,0,0,0,0|2,0,0]=4 1640 B8R1.5 c1cncc(c1N)N TS02530 [1,1,0,0,0,0|2,0,0]=4 1641 B8R1.5 c1cncc(c1O)Br TS09465 [1,1,0,0,0,0|1,0,0]=3 1642 B8R1.5 c1cncc(c1O)Cl TS02695 [1,1,0,0,0,0|1,0,0]=3 1643 B8R1.5 c1cncc(c1O)F TS02748 [1,1,0,0,0,0|1,0,0]=3 1644 B8R1.5 c1cncc(c1O)N TS65860 [1,1,0,0,0,0|1,0,0]=3 1645 B8R1.5 c1cncc(c1O)O TS59374 [1,1,0,0,0,0|1,0,0]=3 1646 B8R1.1 CCC1=CCC(=C1)C TS04143 [0,1,0,0,1,0|1,0,1]=4 1647 B8R1.1 CCc1ccc(s1)C TS36173 [0,1,0,0,1,0|2,0,0]=4 1648 B8R1.1 Cc1cc(no1)CO TS70625 [0,1,0,0,1,0|2,0,0]=4 1649 B8R1.1 Cc1cc(oc1)CN TS89029 [0,1,0,0,1,0|2,0,0]=4 1650 B8R1.1 Cc1cc(sc1)C=O TS36137 [0,1,0,0,1,0|1,0,1]=4 1651 B8R1.1 Cc1cc(sc1)CN TS36247 [0,1,0,0,1,0|2,0,0]=4 1652 B8R1.1 Cc1cc(sc1)CO TS05369 [0,1,0,0,1,0|1,0,0]=3 1653 B8R1.1 Cc1ccc(o1)C=O TS29447 [0,1,0,0,1,0|1,0,1]=4 1654 B8R1.1 Cc1ccc(o1)CBr TS13614 [0,1,0,0,1,0|2,0,0]=4 1655 B8R1.1 Cc1ccc(o1)CN TS31873 [0,1,0,0,1,0|2,0,0]=4 1656 B8R1.1 Cc1ccc(o1)CO TS39784 [0,1,0,0,1,0|1,0,0]=3 1657 B8R1.1 Cc1ccc(s1)C#N TS86062 [0,1,0,0,1,0|2,0,0]=4 1658 B8R1.1 Cc1ccc(s1)C=O TS01147 [0,1,0,0,1,0|1,0,1]=4 1659 B8R1.1 Cc1ccc(s1)CN TS36252 [0,1,0,0,1,0|2,0,0]=4 1660 B8R1.1 Cc1ncc(s1)OC TS05467 [0,1,0,0,1,0|2,0,0]=4 1661 B8R1.1 Cn1cc(cn1)CO TS32833 [0,1,0,0,1,0|2,0,0]=4 1662 B8R1.1 Cn1cc(nc1)CO TS04287 [0,1,0,0,1,0|2,0,0]=4 1663 B8R1.1 Cn1ccc(n1)CO TS88082 [0,1,0,0,1,0|2,0,0]=4 1664 B8R1.1 c1c(csc1Br)CN TS91257 [0,1,0,0,1,0|2,0,0]=4 1665 B8R1.1 c1c(csc1CN)Br TS89953 [0,1,0,0,1,0|2,0,0]=4 1666 B8R1.1 c1c(csc1CN)Cl TS87176 [0,1,0,0,1,0|2,0,0]=4 1667 B8R1.1 c1c(csc1CO)Br TS59852 [0,1,0,0,1,0|2,0,0]=4 1668 B8R1.1 c1c(csc1CO)Cl TS89056 [0,1,0,0,1,0|2,0,0]=4 1669 B8R1.1 c1c(csc1Cl)CN TS86823 [0,1,0,0,1,0|2,0,0]=4 1670 B8R1.1 c1c(csc1Cl)CO TS86398 [0,1,0,0,1,0|2,0,0]=4 1671 B8R1.1 c1cc(sc1CCl)Cl TS12342 [0,1,0,0,1,0|2,0,0]=4 1672 B8R1.1 c1cc(sc1CN)Br TS16792 [0,1,0,0,1,0|2,0,0]=4 1673 B8R1.1 c1cc(sc1CN)Cl TS07393 [0,1,0,0,1,0|2,0,0]=4 1674 B8R1.1 c1cc(sc1CN)F TS91365 [0,1,0,0,1,0|2,0,0]=4 1675 B8R1.1 c1cc(sc1CO)Br TS51585 [0,1,0,0,1,0|2,0,0]=4 1676 B8R1.1 c1cc(sc1CO)Cl TS40709 [0,1,0,0,1,0|2,0,0]=4 1677 B8R1.1 c1cc(sc1CO)F TS90950 [0,1,0,0,1,0|2,0,0]=4 1678 B8R1.18 CC1=CC(=O)OC1=O TS22789 [0,1,0,0,1,0|1,0,1]=4 1679 B8R1.18 Cc1c(cc(s1)Br)Br TS67792 [0,1,0,0,1,0|2,0,0]=4 1680 B8R1.18 Cc1cc(c(o1)C)S TS36314 [0,1,0,0,1,0|1,1,0]=4 1681 B8R1.18 Cc1cc(sc1Br)Br TS67791 [0,1,0,0,1,0|2,0,0]=4 1682 B8R1.18 Cc1cc(sc1C)C TS36170 [0,1,0,0,1,0|2,0,0]=4 1683 B8R1.18 Cc1cc(sc1Cl)Cl TS12343 [0,1,0,0,1,0|2,0,0]=4 1684 B8R1.50 Cc1ccc(n1C)C TS31807 [0,1,0,0,1,0|2,0,0]=4 1685 B8R1.50 Cc1csc(c1Br)Br TS07689 [0,1,0,0,1,0|2,0,0]=4 1686 B10R1.332 c1cc(c(=O)ccc1Br)O TS19138 [0,1,0,0,0,1|1,0,0]=3 1687 B10R1.1 C=CCc1ccc(cc1)O TS36845 [0,2,0,0,0,0|0,0,0]=2 1688 B10R1.1 CCCc1ccc(cc1)Br TS54164 [0,2,0,0,0,0|1,0,0]=3 1689 B10R1.1 CCCc1ccc(cc1)C TS05929 [0,2,0,0,0,0|1,0,0]=3 1690 B10R1.1 CCCc1ccc(cc1)Cl TS41466 [0,2,0,0,0,0|1,0,0]=3 1691 B10R1.1 CCCc1ccc(cc1)F TS07665 [0,2,0,0,0,0|1,0,0]=3 1692 B10R1.1 CCCc1ccc(cc1)I TS27402 [0,2,0,0,0,0|1,0,0]=3 1693 B10R1.1 CCCc1ccc(cc1)N TS36955 [0,2,0,0,0,0|1,0,0]=3 1694 B10R1.1 CCCc1ccc(cc1)O TS06088 [0,2,0,0,0,0|0,0,0]=2 1695 B10R1.1 CCNc1ccc(cc1)C TS36952 [0,2,0,0,0,0|1,0,0]=3 1696 B10R1.1 CCNc1ccc(cc1)Cl TS10637 [0,2,0,0,0,0|1,0,0]=3 1697 B10R1.1 CCOc1ccc(cc1)Br TS38042 [0,2,0,0,0,0|1,0,0]=3 1698 B10R1.1 CCOc1ccc(cc1)C TS06082 [0,2,0,0,0,0|0,0,0]=2 1699 B10R1.1 CCOc1ccc(cc1)Cl TS41721 [0,2,0,0,0,0|1,0,0]=3 1700 B10R1.1 CCOc1ccc(cc1)F TS37363 [0,2,0,0,0,0|1,0,0]=3 1701 B10R1.1 CCOc1ccc(cc1)I TS59517 [0,2,0,0,0,0|1,0,0]=3 1702 B10R1.1 CCOc1ccc(cc1)N TS33162 [0,2,0,0,0,0|1,0,0]=3 1703 B10R1.1 CCOc1ccc(cc1)N TS45702 [0,2,0,0,0,0|1,0,0]=3 1704 B10R1.1 CCOc1ccc(cc1)O TS06257 [0,2,0,0,0,0|0,0,0]=2 1705 B10R1.1 CCOc1ccc(cn1)Br TS71417 [0,2,0,0,0,0|2,0,0]=4 1706 B10R1.1 CCOc1ccc(cn1)N TS37183 [0,2,0,0,0,0|2,0,0]=4 1707 B10R1.1 CCOc1ccc(nc1)Br TS19313 [0,2,0,0,0,0|2,0,0]=4 1708 B10R1.1 CCOc1ccc(nc1)Cl TS10915 [0,2,0,0,0,0|2,0,0]=4 1709 B10R1.1 CCOc1ccn(=O)cc1 TS06374 [0,2,0,0,0,0|1,0,1]=4 1710 B10R1.1 CCOc1cnc(cn1)C TS06278 [0,2,0,0,0,0|2,0,0]=4 1711 B10R1.1 CCSc1ccc(cc1)Br TS49222 [0,2,0,0,0,0|1,0,0]=3 1712 B10R1.1 CCSc1ccc(cc1)Cl TS13282 [0,2,0,0,0,0|1,0,0]=3 1713 B10R1.1 CNCc1ccc(cc1)Cl TS08033 [0,2,0,0,0,0|1,0,0]=3 1714 B10R1.1 COCc1ccc(cc1)F TS37375 [0,2,0,0,0,0|1,0,0]=3 1715 B10R1.1 CSCc1ccc(cc1)Cl TS13281 [0,2,0,0,0,0|1,0,0]=3 1716 B10R1.1 Cc1ccc(cc1)C=NO TS36931 [0,2,0,0,0,0|0,0,0]=2 1717 B10R1.1 Cc1ccc(cc1)CC#N TS03175 [0,2,0,0,0,0|1,0,0]=3 1718 B10R1.1 Cc1ccc(cc1)CC=C TS05765 [0,2,0,0,0,0|1,0,0]=3 1719 B10R1.1 Cc1ccc(cc1)CC=O TS59814 [0,2,0,0,0,0|0,0,1]=3 1720 B10R1.1 Cc1ccc(cc1)CCBr TS18768 [0,2,0,0,0,0|1,0,0]=3 1721 B10R1.1 Cc1ccc(cc1)CCN TS36945 [0,2,0,0,0,0|1,0,0]=3 1722 B10R1.1 Cc1ccc(cc1)CCO TS06073 [0,2,0,0,0,0|0,0,0]=2 1723 B10R1.1 Cc1ccc(cc1)CNC TS01603 [0,2,0,0,0,0|1,0,0]=3 1724 B10R1.1 Cc1ccc(cc1)N=C=O TS01656 [0,2,0,0,0,0|0,0,1]=3 1725 B10R1.1 Cc1ccc(cc1)N=C=S TS07589 [0,2,0,0,0,0|0,1,0]=3 1726 B10R1.1 Cc1ccc(cc1)NC=O TS36928 [0,2,0,0,0,0|0,0,1]=3 1727 B10R1.1 Cc1ccc(cc1)SCCl TS13278 [0,2,0,0,0,0|0,1,0]=3 1728 B10R1.1 Cc1ccc(cn1)CCO TS06184 [0,2,0,0,0,0|1,0,0]=3 1729 B10R1.1 Cc1ccc(cn1)N=C=O TS36819 [0,2,0,0,0,0|1,0,1]=4 1730 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Br TS18167 [0,2,0,0,0,0|1,0,0]=3 1731 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Cl TS41066 [0,2,0,0,0,0|1,0,0]=3 1732 B10R1.1 c1cc(ccc1C=NO)Cl TS09010 [0,2,0,0,0,0|1,0,0]=3 1733 B10R1.1 c1cc(ccc1C=NO)F TS37276 [0,2,0,0,0,0|1,0,0]=3 1734 B10R1.1 c1cc(ccc1CC#N)Br TS71003 [0,2,0,0,0,0|1,0,0]=3 1735 B10R1.1 c1cc(ccc1CC#N)Cl TS39554 [0,2,0,0,0,0|1,0,0]=3 1736 B10R1.1 c1cc(ccc1CC#N)F TS09126 [0,2,0,0,0,0|1,0,0]=3 1737 B10R1.1 c1cc(ccc1CC#N)I TS09719 [0,2,0,0,0,0|1,0,0]=3 1738 B10R1.1 c1cc(ccc1CC#N)N TS05748 [0,2,0,0,0,0|1,0,0]=3 1739 B10R1.1 c1cc(ccc1CC#N)N TS12627 [0,2,0,0,0,0|1,0,0]=3 1740 B10R1.1 c1cc(ccc1CC#N)O TS59576 [0,2,0,0,0,0|0,0,0]=2 1741 B10R1.1 c1cc(ccc1CC=O)Br TS59562 [0,2,0,0,0,0|1,0,0]=3 1742 B10R1.1 c1cc(ccc1CC=O)Cl TS08034 [0,2,0,0,0,0|1,0,0]=3 1743 B10R1.1 c1cc(ccc1CC=O)F TS47060 [0,2,0,0,0,0|1,0,0]=3 1744 B10R1.1 c1cc(ccc1CC=O)N TS36921 [0,2,0,0,0,0|1,0,0]=3 1745 B10R1.1 c1cc(ccc1CC=O)O TS36982 [0,2,0,0,0,0|0,0,0]=2 1746 B10R1.1 c1cc(ccc1CCBr)Br TS71001 [0,2,0,0,0,0|1,0,0]=3 1747 B10R1.1 c1cc(ccc1CCBr)Cl TS08144 [0,2,0,0,0,0|1,0,0]=3 1748 B10R1.1 c1cc(ccc1CCBr)F TS38380 [0,2,0,0,0,0|1,0,0]=3 1749 B10R1.1 c1cc(ccc1CCBr)O TS38051 [0,2,0,0,0,0|0,0,0]=2 1750 B10R1.1 c1cc(ccc1CCCl)F TS11092 [0,2,0,0,0,0|1,0,0]=3 1751 B10R1.1 c1cc(ccc1CCN)Br TS34272 [0,2,0,0,0,0|1,0,0]=3 1752 B10R1.1 c1cc(ccc1CCN)Br TS71000 [0,2,0,0,0,0|1,0,0]=3 1753 B10R1.1 c1cc(ccc1CCN)Cl TS10636 [0,2,0,0,0,0|1,0,0]=3 1754 B10R1.1 c1cc(ccc1CCN)Cl TS51403 [0,2,0,0,0,0|1,0,0]=3 1755 B10R1.1 c1cc(ccc1CCN)F TS03097 [0,2,0,0,0,0|1,0,0]=3 1756 B10R1.1 c1cc(ccc1CCN)F TS13760 [0,2,0,0,0,0|1,0,0]=3 1757 B10R1.1 c1cc(ccc1CCN)I TS27555 [0,2,0,0,0,0|1,0,0]=3 1758 B10R1.1 c1cc(ccc1CCN)N TS09521 [0,2,0,0,0,0|1,0,0]=3 1759 B10R1.1 c1cc(ccc1CCN)N TS37024 [0,2,0,0,0,0|1,0,0]=3 1760 B10R1.1 c1cc(ccc1CCN)O TS01822 [0,2,0,0,0,0|0,0,0]=2 1761 B10R1.1 c1cc(ccc1CCN)O TS39727 [0,2,0,0,0,0|0,0,0]=2 1762 B10R1.1 c1cc(ccc1CCO)Br TS16460 [0,2,0,0,0,0|1,0,0]=3 1763 B10R1.1 c1cc(ccc1CCO)Cl TS10797 [0,2,0,0,0,0|1,0,0]=3 1764 B10R1.1 c1cc(ccc1CCO)F TS39509 [0,2,0,0,0,0|1,0,0]=3 1765 B10R1.1 c1cc(ccc1CCO)N TS39616 [0,2,0,0,0,0|1,0,0]=3 1766 B10R1.1 c1cc(ccc1CCO)O TS47066 [0,2,0,0,0,0|0,0,0]=2 1767 B10R1.1 c1cc(ccc1CNN)Br TS91149 [0,2,0,0,0,0|1,0,0]=3 1768 B10R1.1 c1cc(ccc1CNN)Cl TS90344 [0,2,0,0,0,0|1,0,0]=3 1769 B10R1.1 c1cc(ccc1CNN)F TS88239 [0,2,0,0,0,0|1,0,0]=3 1770 B10R1.1 c1cc(ccc1CNN)F TS94903 [0,2,0,0,0,0|1,0,0]=3 1771 B10R1.1 c1cc(ccc1CO[NH3+])Cl TS39582 [0,2,0,0,0,0|1,0,0]=3 1772 B10R1.1 c1cc(ccc1CO[NH3+])F TS93852 [0,2,0,0,0,0|1,0,0]=3 1773 B10R1.1 c1cc(ccc1N)N=[N+]=[N-] TS45244 [0,2,0,0,0,0|2,0,0]=4 1774 B10R1.1 c1cc(ccc1N=C=O)Br TS53945 [0,2,0,0,0,0|1,0,1]=4 1775 B10R1.1 c1cc(ccc1N=C=O)Cl TS09683 [0,2,0,0,0,0|1,0,1]=4 1776 B10R1.1 c1cc(ccc1N=C=O)F TS01852 [0,2,0,0,0,0|1,0,1]=4 1777 B10R1.1 c1cc(ccc1N=C=O)I TS62098 [0,2,0,0,0,0|1,0,1]=4 1778 B10R1.1 c1cc(ccc1N=C=S)Br TS44460 [0,2,0,0,0,0|1,0,1]=4 1779 B10R1.1 c1cc(ccc1N=C=S)Cl TS09684 [0,2,0,0,0,0|1,0,1]=4 1780 B10R1.1 c1cc(ccc1N=C=S)F TS03101 [0,2,0,0,0,0|1,0,1]=4 1781 B10R1.1 c1cc(ccc1NC=O)Cl TS10616 [0,2,0,0,0,0|1,0,1]=4 1782 B10R1.1 c1cc(ccc1NC=O)F TS37270 [0,2,0,0,0,0|1,0,1]=4 1783 B10R1.1 c1cc(ccc1NC=O)O TS37097 [0,2,0,0,0,0|0,0,1]=3 1784 B10R1.1 c1cc(ncc1Br)CC#N TS59677 [0,2,0,0,0,0|2,0,0]=4 1785 B10R1.1 c1cc(ncc1Br)CCN TS88073 [0,2,0,0,0,0|2,0,0]=4 1786 B10R1.1 c1cc(ncc1Br)CCO TS86702 [0,2,0,0,0,0|2,0,0]=4 1787 B10R1.1 c1cc(ncc1CC#N)Cl TS00897 [0,2,0,0,0,0|2,0,0]=4 1788 B10R1.3 C#Cc1ccc(cc1)C#C TS05164 [0,2,0,0,0,0|1,0,1]=4 1789 B10R1.3 C#Cc1ccc(cc1)C#N TS32967 [0,2,0,0,0,0|1,0,1]=4 1790 B10R1.3 C#Cc1ccc(cc1)C=O TS71109 [0,2,0,0,0,0|0,0,2]=4 1791 B10R1.3 C1=CC(=NO)C=CC1=NO TS06241 [0,2,0,0,0,0|1,0,0]=3 1792 B10R1.3 C=Cc1ccc(cc1)C#N TS05461 [0,2,0,0,0,0|1,0,1]=4 1793 B10R1.3 C=Cc1ccc(cc1)C=C TS36514 [0,2,0,0,0,0|1,0,1]=4 1794 B10R1.3 C=Cc1ccc(cc1)C=O TS93446 [0,2,0,0,0,0|0,0,2]=4 1795 B10R1.3 C=Cc1ccc(cc1)CO TS36844 [0,2,0,0,0,0|0,0,1]=3 1796 B10R1.3 C=Cc1ccc(cc1)CO TS69333 [0,2,0,0,0,0|0,0,1]=3 1797 B10R1.3 CCc1ccc(cc1)C#C TS59670 [0,2,0,0,0,0|1,0,0]=3 1798 B10R1.3 CCc1ccc(cc1)C#N TS05665 [0,2,0,0,0,0|1,0,0]=3 1799 B10R1.3 CCc1ccc(cc1)C=C TS36711 [0,2,0,0,0,0|1,0,0]=3 1800 B10R1.3 CCc1ccc(cc1)C=O TS36835 [0,2,0,0,0,0|0,0,1]=3 1801 B10R1.3 CCc1ccc(cc1)CC TS05932 [0,2,0,0,0,0|1,0,0]=3 1802 B10R1.3 CCc1ccc(cc1)CCl TS07791 [0,2,0,0,0,0|1,0,0]=3 1803 B10R1.3 CCc1ccc(cc1)CN TS36956 [0,2,0,0,0,0|1,0,0]=3 1804 B10R1.3 CCc1ccc(cc1)CO TS06078 [0,2,0,0,0,0|0,0,0]=2 1805 B10R1.3 CCc1ccc(cc1)OC TS06096 [0,2,0,0,0,0|0,0,0]=2 1806 B10R1.3 CCc1ccc(nc1)C=C TS65158 [0,2,0,0,0,0|2,0,0]=4 1807 B10R1.3 CNc1ccc(cc1)C#N TS07763 [0,2,0,0,0,0|1,0,0]=3 1808 B10R1.3 CNc1ccc(cc1)OC TS01939 [0,2,0,0,0,0|0,0,0]=2 1809 B10R1.3 COc1ccc(cc1)C#C TS03157 [0,2,0,0,0,0|0,0,1]=3 1810 B10R1.3 COc1ccc(cc1)C#N TS07812 [0,2,0,0,0,0|0,0,1]=3 1811 B10R1.3 COc1ccc(cc1)C=C TS36841 [0,2,0,0,0,0|0,0,1]=3 1812 B10R1.3 COc1ccc(cc1)C=O TS36981 [0,2,0,0,0,0|0,0,1]=3 1813 B10R1.3 COc1ccc(cc1)CBr TS03143 [0,2,0,0,0,0|0,0,0]=2 1814 B10R1.3 COc1ccc(cc1)CCl TS60060 [0,2,0,0,0,0|0,0,0]=2 1815 B10R1.3 COc1ccc(cc1)CN TS03142 [0,2,0,0,0,0|0,0,0]=2 1816 B10R1.3 COc1ccc(cc1)CS TS03144 [0,2,0,0,0,0|0,0,0]=2 1817 B10R1.3 COc1ccc(cc1)C[Zn+] TS50043 [0,2,0,0,0,0|0,0,0]=2 1818 B10R1.3 COc1ccc(cc1)NN TS45874 [0,2,0,0,0,0|1,0,0]=3 1819 B10R1.3 COc1ccc(cc1)OC TS07887 [0,2,0,0,0,0|0,0,0]=2 1820 B10R1.3 COc1ccc(cc1)SC TS41410 [0,2,0,0,0,0|0,0,0]=2 1821 B10R1.3 COc1ccc(cc1)[Mg]Br TS44050 [0,2,0,0,0,0|1,0,0]=3 1822 B10R1.3 COc1ccc(cc1)[N+]#N TS50040 [0,2,0,0,0,0|1,0,0]=3 1823 B10R1.3 COc1ccc(cc1)[N+]#[C-] TS36751 [0,2,0,0,0,0|0,0,1]=3 1824 B10R1.3 COc1ccc(cn1)C#C TS88941 [0,2,0,0,0,0|1,0,1]=4 1825 B10R1.3 COc1ccc(cn1)C#N TS55433 [0,2,0,0,0,0|1,0,1]=4 1826 B10R1.3 COc1ccc(cn1)C=O TS55618 [0,2,0,0,0,0|1,0,1]=4 1827 B10R1.3 COc1ccc(cn1)CN TS91541 [0,2,0,0,0,0|1,0,0]=3 1828 B10R1.3 COc1ccc(cn1)CO TS87332 [0,2,0,0,0,0|1,0,0]=3 1829 B10R1.3 COc1ccc(cn1)NN TS71564 [0,2,0,0,0,0|2,0,0]=4 1830 B10R1.3 COc1ccc(nc1)C#N TS91172 [0,2,0,0,0,0|1,0,1]=4 1831 B10R1.3 COc1ccc(nc1)C=O TS87371 [0,2,0,0,0,0|1,0,1]=4 1832 B10R1.3 COc1ccc(nc1)CCl TS90886 [0,2,0,0,0,0|1,0,0]=3 1833 B10R1.3 COc1ccc(nc1)CO TS91157 [0,2,0,0,0,0|1,0,0]=3 1834 B10R1.3 COc1ccc(nc1)OC TS94185 [0,2,0,0,0,0|1,0,0]=3 1835 B10R1.3 COc1ncc(cn1)CN TS06379 [0,2,0,0,0,0|2,0,0]=4 1836 B10R1.3 CSc1ccc(cc1)C#N TS40765 [0,2,0,0,0,0|1,0,0]=3 1837 B10R1.3 CSc1ccc(cc1)C=O TS71245 [0,2,0,0,0,0|0,0,1]=3 1838 B10R1.3 CSc1ccc(cc1)CCl TS13280 [0,2,0,0,0,0|0,1,0]=3 1839 B10R1.3 CSc1ccc(cc1)CO TS41407 [0,2,0,0,0,0|0,0,0]=2 1840 B10R1.3 CSc1ccc(cc1)NN TS46693 [0,2,0,0,0,0|1,0,0]=3 1841 B10R1.3 CSc1ccc(cc1)[Mg]Br TS24404 [0,2,0,0,0,0|1,0,0]=3 1842 B10R1.3 CSc1ccc(cc1)[Mg]Cl TS15085 [0,2,0,0,0,0|1,0,0]=3 1843 B10R1.3 [C-]#[N+]c1ccc(cc1)[N+]#[C-] TS05319 [0,2,0,0,0,0|1,0,1]=4 1844 B10R1.3 c1cc(ccc1C#N)C#N TS05323 [0,2,0,0,0,0|1,0,1]=4 1845 B10R1.3 c1cc(ccc1C#N)NN TS03066 [0,2,0,0,0,0|1,0,1]=4 1846 B10R1.3 c1cc(ccc1C=O)C#N TS03056 [0,2,0,0,0,0|0,0,2]=4 1847 B10R1.3 c1cc(ccc1C=O)C=O TS36801 [0,2,0,0,0,0|0,0,2]=4 1848 B10R1.3 c1cc(ccc1CBr)C#N TS03060 [0,2,0,0,0,0|1,0,0]=3 1849 B10R1.3 c1cc(ccc1CBr)C=O TS08637 [0,2,0,0,0,0|0,0,1]=3 1850 B10R1.3 c1cc(ccc1CBr)CBr TS39926 [0,2,0,0,0,0|1,0,0]=3 1851 B10R1.3 c1cc(ccc1CCl)C#N TS33158 [0,2,0,0,0,0|1,0,0]=3 1852 B10R1.3 c1cc(ccc1CCl)CCl TS13622 [0,2,0,0,0,0|1,0,0]=3 1853 B10R1.3 c1cc(ccc1CN)C#N TS03059 [0,2,0,0,0,0|1,0,0]=3 1854 B10R1.3 c1cc(ccc1CN)C#N TS16889 [0,2,0,0,0,0|1,0,0]=3 1855 B10R1.3 c1cc(ccc1CN)CO TS03000 [0,2,0,0,0,0|0,0,0]=2 1856 B10R1.3 c1cc(ccc1CN)CO TS45704 [0,2,0,0,0,0|0,0,0]=2 1857 B10R1.3 c1cc(ccc1CO)C#N TS01797 [0,2,0,0,0,0|0,0,1]=3 1858 B10R1.3 c1cc(ccc1CO)CBr TS16757 [0,2,0,0,0,0|0,0,0]=2 1859 B10R1.3 c1cc(ccc1CO)CO TS06244 [0,2,0,0,0,0|0,0,0]=2 1860 B10R1.3 c1cc(ccc1CS)CS TS12899 [0,2,0,0,0,0|0,1,0]=3 1861 B10R1.3 c1cc(ccc1C[Zn+])C#N TS68531 [0,2,0,0,0,0|1,0,0]=3 1862 B10R1.3 c1cc(ncc1CBr)C#N TS18395 [0,2,0,0,0,0|2,0,0]=4 1863 B10R1.3 c1cc(ncc1CN)C#N TS36769 [0,2,0,0,0,0|2,0,0]=4 1864 B10R1.13 B(c1ccc(cc1)Br)(O)O TS71004 [0,2,0,0,0,0|1,0,0]=3 1865 B10R1.13 B(c1ccc(cc1)C)(O)O TS06030 [0,2,0,0,0,0|0,0,0]=2 1866 B10R1.13 B(c1ccc(cc1)Cl)(O)O TS10782 [0,2,0,0,0,0|1,0,0]=3 1867 B10R1.13 B(c1ccc(cc1)I)(O)O TS93847 [0,2,0,0,0,0|1,0,0]=3 1868 B10R1.13 B(c1ccc(cc1)N)(O)O TS94631 [0,2,0,0,0,0|1,0,0]=3 1869 B10R1.13 B(c1ccc(cc1)O)(O)O TS94040 [0,2,0,0,0,0|1,0,0]=3 1870 B10R1.13 B(c1ccc(cc1)S)(O)O TS71196 [0,2,0,0,0,0|1,0,0]=3 1871 B10R1.13 B(c1ccc(cn1)Br)(O)O TS19298 [0,2,0,0,0,0|2,0,0]=4 1872 B10R1.13 B(c1ccc(cn1)Cl)(O)O TS03263 [0,2,0,0,0,0|2,0,0]=4 1873 B10R1.13 B(c1ccc(nc1)Br)(O)O TS00865 [0,2,0,0,0,0|2,0,0]=4 1874 B10R1.13 B(c1ccc(nc1)C)(O)O TS55461 [0,2,0,0,0,0|1,0,0]=3 1875 B10R1.13 B(c1ccc(nc1)C)(O)S TS01189 [0,2,0,0,0,0|1,0,0]=3 1876 B10R1.13 B(c1ccc(nc1)Cl)(O)O TS00956 [0,2,0,0,0,0|2,0,0]=4 1877 B10R1.13 B(c1ccc(nc1)F)(O)O TS55353 [0,2,0,0,0,0|2,0,0]=4 1878 B10R1.13 B(c1ccc(nc1)N)(O)O TS90857 [0,2,0,0,0,0|2,0,0]=4 1879 B10R1.13 B(c1cnc(nc1)C)(O)O TS90341 [0,2,0,0,0,0|2,0,0]=4 1880 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [0,2,0,0,0,0|1,0,0]=3 1881 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [0,2,0,0,0,0|1,0,0]=3 1882 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [0,2,0,0,0,0|1,0,0]=3 1883 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [0,2,0,0,0,0|1,0,0]=3 1884 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [0,2,0,0,0,0|1,0,0]=3 1885 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [0,2,0,0,0,0|1,0,0]=3 1886 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [0,2,0,0,0,0|1,0,0]=3 1887 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [0,2,0,0,0,0|2,0,0]=4 1888 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [0,2,0,0,0,0|1,0,0]=3 1889 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [0,2,0,0,0,0|2,0,0]=4 1890 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [0,2,0,0,0,0|2,0,0]=4 1891 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [0,2,0,0,0,0|1,0,1]=4 1892 B10R1.13 CC(C)c1ccc(cc1)Br TS00030 [0,2,0,0,0,0|1,0,0]=3 1893 B10R1.13 CC(C)c1ccc(cc1)F TS06283 [0,2,0,0,0,0|1,0,0]=3 1894 B10R1.13 CC(C)c1ccc(cc1)I TS27405 [0,2,0,0,0,0|1,0,0]=3 1895 B10R1.13 CC(C)c1ccc(cc1)N TS39757 [0,2,0,0,0,0|1,0,0]=3 1896 B10R1.13 CC(C)c1ccc(cc1)O TS06072 [0,2,0,0,0,0|0,0,0]=2 1897 B10R1.13 CC(C)c1ccc(cc1)S TS41192 [0,2,0,0,0,0|0,1,0]=3 1898 B10R1.13 CC(C)c1ccc(cn1)N TS88530 [0,2,0,0,0,0|2,0,0]=4 1899 B10R1.13 CC(C)c1ccc(cn1)O TS06186 [0,2,0,0,0,0|1,0,0]=3 1900 B10R1.13 CC(c1ccc(cc1)Cl)N TS10633 [0,2,0,0,0,0|1,0,0]=3 1901 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [0,2,0,0,0,0|1,0,0]=3 1902 B10R1.13 CC(c1ccc(cc1)F)O TS46723 [0,2,0,0,0,0|1,0,0]=3 1903 B10R1.13 CC(c1ccc(cc1)N)O TS37111 [0,2,0,0,0,0|1,0,0]=3 1904 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [0,2,0,0,0,0|0,0,0]=2 1905 B10R1.13 CC(c1ccc(cn1)F)N TS89780 [0,2,0,0,0,0|2,0,0]=4 1906 B10R1.13 CN(C)c1ccc(cc1)Br TS39551 [0,2,0,0,0,0|1,0,0]=3 1907 B10R1.13 CN(C)c1ccc(cc1)F TS37295 [0,2,0,0,0,0|1,0,0]=3 1908 B10R1.13 CN(C)c1ccc(cc1)I TS27558 [0,2,0,0,0,0|1,0,0]=3 1909 B10R1.13 CN(C)c1ccc(cc1)N TS24168 [0,2,0,0,0,0|1,0,0]=3 1910 B10R1.13 CN(C)c1ccc(cc1)N TS37038 [0,2,0,0,0,0|1,0,0]=3 1911 B10R1.13 CN(C)c1ccc(cc1)S TS10342 [0,2,0,0,0,0|0,1,0]=3 1912 B10R1.13 CN(C)c1ccc(cn1)N TS43731 [0,2,0,0,0,0|2,0,0]=4 1913 B10R1.13 CN(C)c1ccc(cn1)N TS90829 [0,2,0,0,0,0|2,0,0]=4 1914 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [0,2,0,0,0,0|1,0,0]=3 1915 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [0,2,0,0,0,0|1,0,0]=3 1916 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [0,2,0,0,0,0|0,0,0]=2 1917 B10R1.13 C[C@@H](c1ccc(cc1)Br)N TS08104 [0,2,0,0,0,0|1,0,0]=3 1918 B10R1.13 C[C@@H](c1ccc(cc1)Br)O TS38046 [0,2,0,0,0,0|1,0,0]=3 1919 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N TS41561 [0,2,0,0,0,0|1,0,0]=3 1920 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [0,2,0,0,0,0|1,0,0]=3 1921 B10R1.13 C[C@@H](c1ccc(cc1)F)N TS39575 [0,2,0,0,0,0|1,0,0]=3 1922 B10R1.13 C[C@@H](c1ccc(cc1)F)O TS06456 [0,2,0,0,0,0|1,0,0]=3 1923 B10R1.13 C[C@@H](c1ccc(cc1)N)N TS20700 [0,2,0,0,0,0|1,0,0]=3 1924 B10R1.13 C[C@H](c1ccc(cc1)Br)O TS38043 [0,2,0,0,0,0|1,0,0]=3 1925 B10R1.13 C[C@H](c1ccc(cc1)Cl)N TS10630 [0,2,0,0,0,0|1,0,0]=3 1926 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [0,2,0,0,0,0|1,0,0]=3 1927 B10R1.13 C[C@H](c1ccc(cc1)F)O TS06452 [0,2,0,0,0,0|1,0,0]=3 1928 B10R1.13 C[C@H](c1ccc(cc1)N)N TS20699 [0,2,0,0,0,0|1,0,0]=3 1929 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [0,2,0,0,0,0|1,0,0]=3 1930 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [0,2,0,0,0,0|1,0,0]=3 1931 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [0,2,0,0,0,0|1,0,0]=3 1932 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [0,2,0,0,0,0|0,0,1]=3 1933 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [0,2,0,0,0,0|0,0,1]=3 1934 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [0,2,0,0,0,0|0,0,1]=3 1935 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [0,2,0,0,0,0|0,0,0]=2 1936 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [0,2,0,0,0,0|0,1,0]=3 1937 B10R1.13 Cc1ccc(cc1)C(C)C TS36855 [0,2,0,0,0,0|1,0,0]=3 1938 B10R1.13 Cc1ccc(cc1)C(C)C TS84159 [0,2,0,0,0,0|1,0,0]=3 1939 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [0,2,0,0,0,0|1,0,0]=3 1940 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [0,2,0,0,0,0|0,0,0]=2 1941 B10R1.13 Cc1ccc(cc1)C(Cl)Cl TS13626 [0,2,0,0,0,0|1,0,0]=3 1942 B10R1.13 Cc1ccc(cc1)N(C)C TS34593 [0,2,0,0,0,0|1,0,0]=3 1943 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [0,2,0,0,0,0|0,0,1]=3 1944 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [0,2,0,0,0,0|0,0,1]=3 1945 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [0,2,0,0,0,0|0,0,1]=3 1946 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [0,2,0,0,0,0|0,0,1]=3 1947 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [0,2,0,0,0,0|0,0,1]=3 1948 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [0,2,0,0,0,0|0,0,1]=3 1949 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [0,2,0,0,0,0|0,0,1]=3 1950 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [0,2,0,0,0,0|0,0,1]=3 1951 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [0,2,0,0,0,0|1,0,0]=3 1952 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [0,2,0,0,0,0|1,0,0]=3 1953 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [0,2,0,0,0,0|1,0,0]=3 1954 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [0,2,0,0,0,0|0,0,1]=3 1955 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [0,2,0,0,0,0|1,0,1]=4 1956 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [0,2,0,0,0,0|1,0,1]=4 1957 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [0,2,0,0,0,0|1,0,0]=3 1958 B10R1.13 Cc1ccc(cn1)C(=S)N TS41172 [0,2,0,0,0,0|1,1,0]=4 1959 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] TS55458 [0,2,0,0,0,0|1,0,1]=4 1960 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [0,2,0,0,0,0|1,0,1]=4 1961 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [0,2,0,0,0,0|1,0,0]=3 1962 B10R1.13 Cc1ccc(nc1)C(C)N TS37026 [0,2,0,0,0,0|2,0,0]=4 1963 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] TS06235 [0,2,0,0,0,0|1,0,1]=4 1964 B10R1.13 Cc1cnc(cn1)C(=O)O TS01145 [0,2,0,0,0,0|2,0,0]=4 1965 B10R1.13 Cc1cnc(nc1)C(=O)O TS90420 [0,2,0,0,0,0|2,0,0]=4 1966 B10R1.13 Cc1ncc(cn1)C(=O)O TS02452 [0,2,0,0,0,0|2,0,0]=4 1967 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [0,2,0,0,0,0|2,0,0]=4 1968 B10R1.13 c1cc(ccc1C(=N)N)Br TS09590 [0,2,0,0,0,0|1,0,1]=4 1969 B10R1.13 c1cc(ccc1C(=N)N)Br TS39740 [0,2,0,0,0,0|1,0,1]=4 1970 B10R1.13 c1cc(ccc1C(=N)N)Cl TS33150 [0,2,0,0,0,0|1,0,1]=4 1971 B10R1.13 c1cc(ccc1C(=N)N)Cl TS54571 [0,2,0,0,0,0|1,0,1]=4 1972 B10R1.13 c1cc(ccc1C(=N)N)Cl TS71058 [0,2,0,0,0,0|1,0,1]=4 1973 B10R1.13 c1cc(ccc1C(=N)N)F TS03080 [0,2,0,0,0,0|1,0,1]=4 1974 B10R1.13 c1cc(ccc1C(=N)N)I TS54570 [0,2,0,0,0,0|1,0,1]=4 1975 B10R1.13 c1cc(ccc1C(=N)N)N TS45388 [0,2,0,0,0,0|1,0,1]=4 1976 B10R1.13 c1cc(ccc1C(=N)N)N TS70909 [0,2,0,0,0,0|1,0,1]=4 1977 B10R1.13 c1cc(ccc1C(=N)N)O TS59618 [0,2,0,0,0,0|0,0,1]=3 1978 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [0,2,0,0,0,0|1,0,1]=4 1979 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [0,2,0,0,0,0|1,0,1]=4 1980 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [0,2,0,0,0,0|1,0,1]=4 1981 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [0,2,0,0,0,0|1,0,1]=4 1982 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [0,2,0,0,0,0|1,0,1]=4 1983 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [0,2,0,0,0,0|1,0,1]=4 1984 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [0,2,0,0,0,0|1,0,1]=4 1985 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [0,2,0,0,0,0|1,0,1]=4 1986 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [0,2,0,0,0,0|1,0,1]=4 1987 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [0,2,0,0,0,0|0,0,1]=3 1988 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [0,2,0,0,0,0|1,0,0]=3 1989 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [0,2,0,0,0,0|1,0,0]=3 1990 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [0,2,0,0,0,0|1,0,0]=3 1991 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [0,2,0,0,0,0|1,0,0]=3 1992 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [0,2,0,0,0,0|1,0,0]=3 1993 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [0,2,0,0,0,0|1,0,0]=3 1994 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [0,2,0,0,0,0|0,0,1]=3 1995 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [0,2,0,0,0,0|1,0,0]=3 1996 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [0,2,0,0,0,0|1,0,1]=4 1997 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [0,2,0,0,0,0|1,0,1]=4 1998 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [0,2,0,0,0,0|1,0,1]=4 1999 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [0,2,0,0,0,0|0,0,1]=3 2000 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [0,2,0,0,0,0|0,0,1]=3 2001 B10R1.13 c1cc(ccc1C(=S)N)Br TS21979 [0,2,0,0,0,0|1,0,1]=4 2002 B10R1.13 c1cc(ccc1C(=S)N)Cl TS09015 [0,2,0,0,0,0|1,0,1]=4 2003 B10R1.13 c1cc(ccc1C(=S)N)F TS41515 [0,2,0,0,0,0|1,0,1]=4 2004 B10R1.13 c1cc(ccc1C(=S)N)N TS10202 [0,2,0,0,0,0|1,0,1]=4 2005 B10R1.13 c1cc(ccc1C(=S)N)O TS03140 [0,2,0,0,0,0|0,0,1]=3 2006 B10R1.13 c1cc(ccc1C(Cl)Cl)Cl TS52070 [0,2,0,0,0,0|1,0,0]=3 2007 B10R1.13 c1cc(ccc1C(Cl)Cl)F TS47663 [0,2,0,0,0,0|1,0,0]=3 2008 B10R1.13 c1cc(ccc1C(F)F)Br TS00409 [0,2,0,0,0,0|1,0,0]=3 2009 B10R1.13 c1cc(ccc1Cl)[Se](=O)O TS50375 [0,2,0,0,0,0|1,0,0]=3 2010 B10R1.13 c1cc(ccc1F)S(=O)[O-] TS01688 [0,2,0,0,0,0|1,0,1]=4 2011 B10R1.13 c1cc(ccc1N(=O)=O)F TS03096 [0,2,0,0,0,0|1,0,1]=4 2012 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] TS09744 [0,2,0,0,0,0|1,0,1]=4 2013 B10R1.13 c1cc(ccc1S(=O)[O-])Br TS54208 [0,2,0,0,0,0|1,0,1]=4 2014 B10R1.13 c1cc(ccc1S(=O)[O-])Cl TS18735 [0,2,0,0,0,0|1,0,1]=4 2015 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br TS00415 [0,2,0,0,0,0|1,0,1]=4 2016 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl TS41832 [0,2,0,0,0,0|1,0,1]=4 2017 B10R1.13 c1cc(ccc1[N+](=O)[O-])I TS09204 [0,2,0,0,0,0|1,0,1]=4 2018 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS06354 [0,2,0,0,0,0|1,0,0]=3 2019 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS92945 [0,2,0,0,0,0|1,0,0]=3 2020 B10R1.13 c1cc(ccc1[N+](=O)[O-])S TS41511 [0,2,0,0,0,0|1,0,1]=4 2021 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [0,2,0,0,0,0|2,0,0]=4 2022 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [0,2,0,0,0,0|2,0,0]=4 2023 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [0,2,0,0,0,0|2,0,0]=4 2024 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [0,2,0,0,0,0|2,0,0]=4 2025 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [0,2,0,0,0,0|2,0,0]=4 2026 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [0,2,0,0,0,0|2,0,0]=4 2027 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [0,2,0,0,0,0|1,0,1]=4 2028 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [0,2,0,0,0,0|2,0,0]=4 2029 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [0,2,0,0,0,0|2,0,0]=4 2030 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [0,2,0,0,0,0|2,0,0]=4 2031 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [0,2,0,0,0,0|2,0,0]=4 2032 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [0,2,0,0,0,0|2,0,0]=4 2033 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [0,2,0,0,0,0|1,0,1]=4 2034 B10R1.13 c1cc(ncc1O)[N+](=O)[O-] TS55630 [0,2,0,0,0,0|2,0,0]=4 2035 B10R1.13 c1cc(ncc1[N+](=O)[O-])O TS01055 [0,2,0,0,0,0|2,0,0]=4 2036 B10R1.13 c1cn(=O)ccc1C(=O)O TS39932 [0,2,0,0,0,0|2,0,0]=4 2037 B10R1.25 C#Cc1ccc(cc1F)Br TS18764 [0,2,0,0,0,0|1,0,1]=4 2038 B10R1.25 C=Cc1ccc(cc1F)F TS06427 [0,2,0,0,0,0|1,0,1]=4 2039 B10R1.25 CCc1c(cc(cn1)Br)N TS85926 [0,2,0,0,0,0|2,0,0]=4 2040 B10R1.25 CCc1ccc([nH]c1=O)C TS37106 [0,2,0,0,0,0|2,0,0]=4 2041 B10R1.25 CCc1ccc(cc1C)C TS36871 [0,2,0,0,0,0|1,0,0]=3 2042 B10R1.25 CCc1ccc(cc1O)O TS06247 [0,2,0,0,0,0|0,0,0]=2 2043 B10R1.25 CCc1ccc(nc1N)C TS06103 [0,2,0,0,0,0|2,0,0]=4 2044 B10R1.25 CCc1cnc(cc1N)C TS03292 [0,2,0,0,0,0|2,0,0]=4 2045 B10R1.25 CCn1ccc(cc1=O)Br TS92560 [0,2,0,0,0,0|2,0,0]=4 2046 B10R1.25 CCn1ccc(cc1=O)N TS88737 [0,2,0,0,0,0|2,0,0]=4 2047 B10R1.25 CNc1ccc(cc1F)F TS40063 [0,2,0,0,0,0|1,0,0]=3 2048 B10R1.25 COc1c(cc(cn1)Br)Br TS85440 [0,2,0,0,0,0|2,0,0]=4 2049 B10R1.25 COc1c(cc(cn1)Br)Cl TS23559 [0,2,0,0,0,0|2,0,0]=4 2050 B10R1.25 COc1c(cc(cn1)Br)F TS60302 [0,2,0,0,0,0|2,0,0]=4 2051 B10R1.25 COc1c(cc(cn1)Br)I TS61113 [0,2,0,0,0,0|2,0,0]=4 2052 B10R1.25 COc1c(cc(cn1)Br)N TS86976 [0,2,0,0,0,0|2,0,0]=4 2053 B10R1.25 COc1c(cc(cn1)Br)O TS86842 [0,2,0,0,0,0|2,0,0]=4 2054 B10R1.25 COc1c(cc(cn1)Cl)Br TS55426 [0,2,0,0,0,0|2,0,0]=4 2055 B10R1.25 COc1c(cc(cn1)Cl)F TS11466 [0,2,0,0,0,0|2,0,0]=4 2056 B10R1.25 COc1c(cc(cn1)F)Br TS65083 [0,2,0,0,0,0|2,0,0]=4 2057 B10R1.25 COc1c(cc(cn1)N)Br TS16776 [0,2,0,0,0,0|2,0,0]=4 2058 B10R1.25 COc1c(cc(cn1)N)F TS02650 [0,2,0,0,0,0|2,0,0]=4 2059 B10R1.25 COc1ccc(cc1Br)Br TS73450 [0,2,0,0,0,0|1,0,0]=3 2060 B10R1.25 COc1ccc(cc1Br)Cl TS16842 [0,2,0,0,0,0|1,0,0]=3 2061 B10R1.25 COc1ccc(cc1Br)F TS55106 [0,2,0,0,0,0|1,0,0]=3 2062 B10R1.25 COc1ccc(cc1Cl)Br TS00004 [0,2,0,0,0,0|1,0,0]=3 2063 B10R1.25 COc1ccc(cc1Cl)Cl TS13955 [0,2,0,0,0,0|1,0,0]=3 2064 B10R1.25 COc1ccc(cc1Cl)F TS09271 [0,2,0,0,0,0|1,0,0]=3 2065 B10R1.25 COc1ccc(cc1Cl)N TS10908 [0,2,0,0,0,0|1,0,0]=3 2066 B10R1.25 COc1ccc(cc1F)Br TS60384 [0,2,0,0,0,0|1,0,0]=3 2067 B10R1.25 COc1ccc(cc1F)Cl TS39482 [0,2,0,0,0,0|1,0,0]=3 2068 B10R1.25 COc1ccc(cc1F)F TS09234 [0,2,0,0,0,0|1,0,0]=3 2069 B10R1.25 COc1ccc(cc1F)N TS02745 [0,2,0,0,0,0|1,0,0]=3 2070 B10R1.25 COc1ccc(cc1F)O TS02753 [0,2,0,0,0,0|0,0,0]=2 2071 B10R1.25 COc1ccc(cc1F)S TS10975 [0,2,0,0,0,0|0,1,0]=3 2072 B10R1.25 COc1ccc(cc1I)Cl TS39489 [0,2,0,0,0,0|1,0,0]=3 2073 B10R1.25 COc1ccc(cc1I)N TS39440 [0,2,0,0,0,0|1,0,0]=3 2074 B10R1.25 COc1ccc(cc1I)N TS54863 [0,2,0,0,0,0|1,0,0]=3 2075 B10R1.25 COc1ccc(cc1N)Br TS38194 [0,2,0,0,0,0|1,0,0]=3 2076 B10R1.25 COc1ccc(cc1N)Cl TS03051 [0,2,0,0,0,0|1,0,0]=3 2077 B10R1.25 COc1ccc(cc1N)Cl TS10909 [0,2,0,0,0,0|1,0,0]=3 2078 B10R1.25 COc1ccc(cc1N)Cl TS17765 [0,2,0,0,0,0|1,0,0]=3 2079 B10R1.25 COc1ccc(cc1N)F TS07833 [0,2,0,0,0,0|1,0,0]=3 2080 B10R1.25 COc1ccc(cc1N)I TS65363 [0,2,0,0,0,0|1,0,0]=3 2081 B10R1.25 COc1ccc(cc1N)N TS37199 [0,2,0,0,0,0|1,0,0]=3 2082 B10R1.25 COc1ccc(cc1N)N TS43949 [0,2,0,0,0,0|1,0,0]=3 2083 B10R1.25 COc1ccc(cc1N)N TS56780 [0,2,0,0,0,0|1,0,0]=3 2084 B10R1.25 COc1ccc(cc1O)Br TS85281 [0,2,0,0,0,0|1,0,0]=3 2085 B10R1.25 COc1ccc(cc1O)F TS07835 [0,2,0,0,0,0|1,0,0]=3 2086 B10R1.25 COc1ccc(cc1O)N TS37282 [0,2,0,0,0,0|1,0,0]=3 2087 B10R1.25 COc1ccc(cc1O)O TS06433 [0,2,0,0,0,0|0,0,0]=2 2088 B10R1.25 COc1ccc(cc1S)F TS10974 [0,2,0,0,0,0|1,0,0]=3 2089 B10R1.25 COc1ccc(cn1=O)F TS40058 [0,2,0,0,0,0|2,0,0]=4 2090 B10R1.25 COc1ccc(nc1Br)N TS60092 [0,2,0,0,0,0|2,0,0]=4 2091 B10R1.25 COc1ccc(nc1Cl)N TS85122 [0,2,0,0,0,0|2,0,0]=4 2092 B10R1.25 COc1ccc(nc1F)Br TS32806 [0,2,0,0,0,0|2,0,0]=4 2093 B10R1.25 COc1cnc(cc1Cl)N TS86843 [0,2,0,0,0,0|2,0,0]=4 2094 B10R1.25 CSc1ccc(cc1Cl)N TS45707 [0,2,0,0,0,0|1,0,0]=3 2095 B10R1.25 Cc1c(ccc(n1)F)CO TS06581 [0,2,0,0,0,0|2,0,0]=4 2096 B10R1.25 Cc1c(ccc(n1)N)CN TS06202 [0,2,0,0,0,0|2,0,0]=4 2097 B10R1.25 Cc1c(ccc(n1)N)OC TS37202 [0,2,0,0,0,0|2,0,0]=4 2098 B10R1.25 Cc1cc(c(cn1)C#N)Cl TS10257 [0,2,0,0,0,0|2,0,0]=4 2099 B10R1.25 Cc1cc(ccc1C#N)Br TS70961 [0,2,0,0,0,0|1,0,1]=4 2100 B10R1.25 Cc1cc(ccc1C#N)Cl TS41072 [0,2,0,0,0,0|1,0,1]=4 2101 B10R1.25 Cc1cc(ccc1C#N)F TS09703 [0,2,0,0,0,0|1,0,1]=4 2102 B10R1.25 Cc1cc(ccc1C=O)Cl TS71020 [0,2,0,0,0,0|1,0,1]=4 2103 B10R1.25 Cc1cc(ccc1C=O)F TS65134 [0,2,0,0,0,0|1,0,1]=4 2104 B10R1.25 Cc1cc(ccc1C=O)O TS03103 [0,2,0,0,0,0|0,0,1]=3 2105 B10R1.25 Cc1cc(ccc1CN)Cl TS10634 [0,2,0,0,0,0|1,0,0]=3 2106 B10R1.25 Cc1cc(ccc1CN)F TS37292 [0,2,0,0,0,0|1,0,0]=3 2107 B10R1.25 Cc1cc(ccc1CO)F TS06460 [0,2,0,0,0,0|1,0,0]=3 2108 B10R1.25 Cc1cc(ccc1NN)Cl TS51589 [0,2,0,0,0,0|2,0,0]=4 2109 B10R1.25 Cc1cc(ccc1NN)F TS37376 [0,2,0,0,0,0|2,0,0]=4 2110 B10R1.25 Cc1cc(ccc1OC)Br TS38047 [0,2,0,0,0,0|1,0,0]=3 2111 B10R1.25 Cc1cc(ccc1OC)Cl TS10800 [0,2,0,0,0,0|1,0,0]=3 2112 B10R1.25 Cc1cc(ccc1OC)F TS06457 [0,2,0,0,0,0|1,0,0]=3 2113 B10R1.25 Cc1cc(ccc1OC)I TS62512 [0,2,0,0,0,0|1,0,0]=3 2114 B10R1.25 Cc1cc(ccc1OC)N TS71211 [0,2,0,0,0,0|1,0,0]=3 2115 B10R1.25 Cc1cc(ccc1SC)O TS41411 [0,2,0,0,0,0|0,0,0]=2 2116 B10R1.25 Cc1cc(ccc1[Mg]Br)F TS21539 [0,2,0,0,0,0|2,0,0]=4 2117 B10R1.25 Cc1cc(ccc1[N+]#[C-])F TS05985 [0,2,0,0,0,0|1,0,1]=4 2118 B10R1.25 Cc1cc(cnc1C#N)O TS08755 [0,2,0,0,0,0|1,0,1]=4 2119 B10R1.25 Cc1cc(cnc1OC)Br TS85280 [0,2,0,0,0,0|2,0,0]=4 2120 B10R1.25 Cc1cc(cnc1OC)F TS39347 [0,2,0,0,0,0|2,0,0]=4 2121 B10R1.25 Cc1cc(ncc1C#N)C TS05752 [0,2,0,0,0,0|2,0,0]=4 2122 B10R1.25 Cc1ccc(c(=O)[nH]1)C#N TS32937 [0,2,0,0,0,0|2,0,0]=4 2123 B10R1.25 Cc1ccc(c(c1)Br)C#N TS60262 [0,2,0,0,0,0|1,0,0]=3 2124 B10R1.25 Cc1ccc(c(c1)Br)C=O TS08331 [0,2,0,0,0,0|0,0,1]=3 2125 B10R1.25 Cc1ccc(c(c1)Br)OC TS09331 [0,2,0,0,0,0|0,0,0]=2 2126 B10R1.25 Cc1ccc(c(c1)Br)[N+]#[C-] TS18164 [0,2,0,0,0,0|1,0,0]=3 2127 B10R1.25 Cc1ccc(c(c1)C)C#N TS05671 [0,2,0,0,0,0|1,0,0]=3 2128 B10R1.25 Cc1ccc(c(c1)C)C=C TS05767 [0,2,0,0,0,0|1,0,0]=3 2129 B10R1.25 Cc1ccc(c(c1)C)C=O TS36832 [0,2,0,0,0,0|0,0,1]=3 2130 B10R1.25 Cc1ccc(c(c1)C)CBr TS54162 [0,2,0,0,0,0|1,0,0]=3 2131 B10R1.25 Cc1ccc(c(c1)C)CCl TS41471 [0,2,0,0,0,0|1,0,0]=3 2132 B10R1.25 Cc1ccc(c(c1)C)CN TS06003 [0,2,0,0,0,0|1,0,0]=3 2133 B10R1.25 Cc1ccc(c(c1)C)CO TS37015 [0,2,0,0,0,0|0,0,0]=2 2134 B10R1.25 Cc1ccc(c(c1)C)NN TS00644 [0,2,0,0,0,0|1,0,0]=3 2135 B10R1.25 Cc1ccc(c(c1)C)OC TS06090 [0,2,0,0,0,0|0,0,0]=2 2136 B10R1.25 Cc1ccc(c(c1)Cl)C#N TS55233 [0,2,0,0,0,0|1,0,0]=3 2137 B10R1.25 Cc1ccc(c(c1)Cl)NN TS08829 [0,2,0,0,0,0|1,0,0]=3 2138 B10R1.25 Cc1ccc(c(c1)Cl)OC TS41726 [0,2,0,0,0,0|0,0,0]=2 2139 B10R1.25 Cc1ccc(c(c1)F)C#N TS55342 [0,2,0,0,0,0|1,0,0]=3 2140 B10R1.25 Cc1ccc(c(c1)F)C=O TS01780 [0,2,0,0,0,0|0,0,1]=3 2141 B10R1.25 Cc1ccc(c(c1)F)NN TS13943 [0,2,0,0,0,0|1,0,0]=3 2142 B10R1.25 Cc1ccc(c(c1)F)OC TS06451 [0,2,0,0,0,0|0,0,0]=2 2143 B10R1.25 Cc1ccc(c(c1)I)OC TS39442 [0,2,0,0,0,0|0,0,0]=2 2144 B10R1.25 Cc1ccc(c(c1)N)C#N TS65364 [0,2,0,0,0,0|1,0,0]=3 2145 B10R1.25 Cc1ccc(c(c1)N)OC TS06191 [0,2,0,0,0,0|0,0,0]=2 2146 B10R1.25 Cc1ccc(c(c1)O)C#N TS01044 [0,2,0,0,0,0|1,0,0]=3 2147 B10R1.25 Cc1ccc(c(c1)O)C=O TS01043 [0,2,0,0,0,0|0,0,1]=3 2148 B10R1.25 Cc1ccc(c(c1)O)OC TS06265 [0,2,0,0,0,0|0,0,0]=2 2149 B10R1.25 Cc1ccc(c(n1)Br)C#N TS90324 [0,2,0,0,0,0|2,0,0]=4 2150 B10R1.25 Cc1ccc(c(n1)Br)OC TS19318 [0,2,0,0,0,0|1,0,0]=3 2151 B10R1.25 Cc1ccc(c(n1)C)C=O TS00707 [0,2,0,0,0,0|1,0,1]=4 2152 B10R1.25 Cc1ccc(c(n1)C)CO TS06194 [0,2,0,0,0,0|1,0,0]=3 2153 B10R1.25 Cc1ccc(c(n1)Cl)C#N TS46397 [0,2,0,0,0,0|2,0,0]=4 2154 B10R1.25 Cc1ccc(c(n1)Cl)C=O TS10622 [0,2,0,0,0,0|1,0,1]=4 2155 B10R1.25 Cc1ccc(c(n1)F)C#N TS36974 [0,2,0,0,0,0|2,0,0]=4 2156 B10R1.25 Cc1ccc(c(n1)N)C=O TS06053 [0,2,0,0,0,0|1,0,1]=4 2157 B10R1.25 Cc1ncc(c(n1)N)CO TS46541 [0,2,0,0,0,0|2,0,0]=4 2158 B10R1.25 [C-]#[N+]c1ccc(cc1Cl)Br TS49173 [0,2,0,0,0,0|1,0,1]=4 2159 B10R1.25 [C-]#[N+]c1ccc(cc1F)Br TS18922 [0,2,0,0,0,0|1,0,1]=4 2160 B10R1.25 c1c(c(cnc1Cl)CCl)Cl TS18346 [0,2,0,0,0,0|2,0,0]=4 2161 B10R1.25 c1c(c(cnc1Cl)CO)Cl TS46363 [0,2,0,0,0,0|2,0,0]=4 2162 B10R1.25 c1c(cnc(c1Cl)CO)Cl TS46364 [0,2,0,0,0,0|2,0,0]=4 2163 B10R1.25 c1c(cnc(c1F)CN)Br TS89047 [0,2,0,0,0,0|2,0,0]=4 2164 B10R1.25 c1c(cnc(c1F)CO)Br TS91722 [0,2,0,0,0,0|2,0,0]=4 2165 B10R1.25 c1c(cnc(c1N)CO)Br TS92343 [0,2,0,0,0,0|2,0,0]=4 2166 B10R1.25 c1cc(c(cc1Br)Cl)C#N TS60048 [0,2,0,0,0,0|1,0,1]=4 2167 B10R1.25 c1cc(c(cc1Br)Cl)C=O TS00880 [0,2,0,0,0,0|1,0,1]=4 2168 B10R1.25 c1cc(c(cc1Br)F)C=O TS16938 [0,2,0,0,0,0|1,0,1]=4 2169 B10R1.25 c1cc(c(cc1Br)F)CCl TS50366 [0,2,0,0,0,0|1,0,0]=3 2170 B10R1.25 c1cc(c(cc1Br)F)CN TS00009 [0,2,0,0,0,0|1,0,0]=3 2171 B10R1.25 c1cc(c(cc1Br)F)CN TS26597 [0,2,0,0,0,0|1,0,0]=3 2172 B10R1.25 c1cc(c(cc1Br)F)CO TS60386 [0,2,0,0,0,0|1,0,0]=3 2173 B10R1.25 c1cc(c(cc1Br)F)CS TS49908 [0,2,0,0,0,0|1,0,0]=3 2174 B10R1.25 c1cc(c(cc1Br)O)C#N TS70956 [0,2,0,0,0,0|1,0,1]=4 2175 B10R1.25 c1cc(c(cc1Br)O)C=O TS16946 [0,2,0,0,0,0|1,0,1]=4 2176 B10R1.25 c1cc(c(cc1Br)O)CO TS60424 [0,2,0,0,0,0|1,0,0]=3 2177 B10R1.25 c1cc(c(cc1Cl)Br)C#N TS49172 [0,2,0,0,0,0|1,0,1]=4 2178 B10R1.25 c1cc(c(cc1Cl)Cl)C#N TS13096 [0,2,0,0,0,0|1,0,1]=4 2179 B10R1.25 c1cc(c(cc1Cl)Cl)C=O TS13611 [0,2,0,0,0,0|1,0,1]=4 2180 B10R1.25 c1cc(c(cc1Cl)Cl)CCl TS52075 [0,2,0,0,0,0|1,0,0]=3 2181 B10R1.25 c1cc(c(cc1Cl)Cl)CN TS46039 [0,2,0,0,0,0|1,0,0]=3 2182 B10R1.25 c1cc(c(cc1Cl)Cl)CO TS13963 [0,2,0,0,0,0|1,0,0]=3 2183 B10R1.25 c1cc(c(cc1Cl)Cl)CS TS51591 [0,2,0,0,0,0|1,0,0]=3 2184 B10R1.25 c1cc(c(cc1Cl)Cl)[N+]#N TS45715 [0,2,0,0,0,0|2,0,0]=4 2185 B10R1.25 c1cc(c(cc1Cl)Cl)[N+]#N TS68438 [0,2,0,0,0,0|2,0,0]=4 2186 B10R1.25 c1cc(c(cc1Cl)F)C=O TS11081 [0,2,0,0,0,0|1,0,1]=4 2187 B10R1.25 c1cc(c(cc1Cl)F)CBr TS39484 [0,2,0,0,0,0|1,0,0]=3 2188 B10R1.25 c1cc(c(cc1Cl)F)CCl TS47666 [0,2,0,0,0,0|1,0,0]=3 2189 B10R1.25 c1cc(c(cc1Cl)F)CN TS18170 [0,2,0,0,0,0|1,0,0]=3 2190 B10R1.25 c1cc(c(cc1Cl)F)CN TS39485 [0,2,0,0,0,0|1,0,0]=3 2191 B10R1.25 c1cc(c(cc1Cl)F)CO TS42237 [0,2,0,0,0,0|1,0,0]=3 2192 B10R1.25 c1cc(c(cc1Cl)F)NN TS39487 [0,2,0,0,0,0|2,0,0]=4 2193 B10R1.25 c1cc(c(cc1Cl)F)NN TS42240 [0,2,0,0,0,0|2,0,0]=4 2194 B10R1.25 c1cc(c(cc1Cl)N)C#N TS41211 [0,2,0,0,0,0|1,0,1]=4 2195 B10R1.25 c1cc(c(cc1Cl)O)C=O TS03046 [0,2,0,0,0,0|1,0,1]=4 2196 B10R1.25 c1cc(c(cc1F)Br)C#N TS08317 [0,2,0,0,0,0|1,0,1]=4 2197 B10R1.25 c1cc(c(cc1F)Br)C=O TS08316 [0,2,0,0,0,0|1,0,1]=4 2198 B10R1.25 c1cc(c(cc1F)Br)CBr TS08318 [0,2,0,0,0,0|1,0,0]=3 2199 B10R1.25 c1cc(c(cc1F)Br)CN TS26596 [0,2,0,0,0,0|1,0,0]=3 2200 B10R1.25 c1cc(c(cc1F)Br)CO TS19894 [0,2,0,0,0,0|1,0,0]=3 2201 B10R1.25 c1cc(c(cc1F)Cl)C#N TS85439 [0,2,0,0,0,0|1,0,1]=4 2202 B10R1.25 c1cc(c(cc1F)Cl)C=O TS00884 [0,2,0,0,0,0|1,0,1]=4 2203 B10R1.25 c1cc(c(cc1F)Cl)CBr TS09272 [0,2,0,0,0,0|1,0,0]=3 2204 B10R1.25 c1cc(c(cc1F)Cl)CCl TS47667 [0,2,0,0,0,0|1,0,0]=3 2205 B10R1.25 c1cc(c(cc1F)Cl)CN TS09273 [0,2,0,0,0,0|1,0,0]=3 2206 B10R1.25 c1cc(c(cc1F)Cl)CO TS42235 [0,2,0,0,0,0|1,0,0]=3 2207 B10R1.25 c1cc(c(cc1F)Cl)NN TS18403 [0,2,0,0,0,0|2,0,0]=4 2208 B10R1.25 c1cc(c(cc1F)F)C#N TS00631 [0,2,0,0,0,0|1,0,1]=4 2209 B10R1.25 c1cc(c(cc1F)F)C=O TS00628 [0,2,0,0,0,0|1,0,1]=4 2210 B10R1.25 c1cc(c(cc1F)F)CCl TS09236 [0,2,0,0,0,0|1,0,0]=3 2211 B10R1.25 c1cc(c(cc1F)F)CN TS00632 [0,2,0,0,0,0|1,0,0]=3 2212 B10R1.25 c1cc(c(cc1F)F)CO TS09235 [0,2,0,0,0,0|1,0,0]=3 2213 B10R1.25 c1cc(c(cc1F)F)NN TS47218 [0,2,0,0,0,0|2,0,0]=4 2214 B10R1.25 c1cc(c(cc1F)F)NN TS47219 [0,2,0,0,0,0|2,0,0]=4 2215 B10R1.25 c1cc(c(cc1F)I)CBr TS76743 [0,2,0,0,0,0|1,0,0]=3 2216 B10R1.25 c1cc(c(cc1F)N)C#N TS00752 [0,2,0,0,0,0|1,0,1]=4 2217 B10R1.25 c1cc(c(cc1F)N)CBr TS19670 [0,2,0,0,0,0|1,0,0]=3 2218 B10R1.25 c1cc(c(cc1F)N)CCl TS11188 [0,2,0,0,0,0|1,0,0]=3 2219 B10R1.25 c1cc(c(cc1F)O)C=O TS71141 [0,2,0,0,0,0|1,0,1]=4 2220 B10R1.25 c1cc(c(cc1I)Br)C=O TS08969 [0,2,0,0,0,0|1,0,1]=4 2221 B10R1.25 c1cc(c(cc1I)F)C#N TS09295 [0,2,0,0,0,0|1,0,1]=4 2222 B10R1.25 c1cc(c(cc1I)F)C=O TS08418 [0,2,0,0,0,0|1,0,1]=4 2223 B10R1.25 c1cc(c(cc1N)Cl)C#N TS39462 [0,2,0,0,0,0|1,0,1]=4 2224 B10R1.25 c1cc(c(cc1N)F)C#N TS71089 [0,2,0,0,0,0|1,0,1]=4 2225 B10R1.25 c1cc(c(cc1O)Cl)C#N TS09274 [0,2,0,0,0,0|0,0,1]=3 2226 B10R1.25 c1cc(c(cc1O)Cl)C=O TS10791 [0,2,0,0,0,0|0,0,1]=3 2227 B10R1.25 c1cc(c(cc1O)F)C#N TS09292 [0,2,0,0,0,0|0,0,1]=3 2228 B10R1.25 c1cc(c(cc1O)F)C=O TS08415 [0,2,0,0,0,0|0,0,1]=3 2229 B10R1.25 c1cc(c(cc1O)O)C#N TS07698 [0,2,0,0,0,0|0,0,1]=3 2230 B10R1.25 c1cc(c(cc1O)O)C=O TS47229 [0,2,0,0,0,0|0,0,1]=3 2231 B10R1.25 c1cc(c(cc1O)O)CO TS37344 [0,2,0,0,0,0|0,0,0]=2 2232 B10R1.25 c1cc(c(cc1O)O)N=O TS06355 [0,2,0,0,0,0|1,0,0]=3 2233 B10R1.25 c1cc(nc(c1CCl)Cl)Cl TS18344 [0,2,0,0,0,0|2,0,0]=4 2234 B10R1.25 c1cc(nc(c1CO)Cl)Cl TS91241 [0,2,0,0,0,0|2,0,0]=4 2235 B10R1.176 C#Cc1ccc(c(c1)Cl)Cl TS46781 [0,2,0,0,0,0|1,0,1]=4 2236 B10R1.176 C#Cc1ccc(c(c1)F)F TS06225 [0,2,0,0,0,0|1,0,1]=4 2237 B10R1.176 C1C(=NC=C(C1=O)O)CO TS37471 [0,2,0,0,0,0|1,0,1]=4 2238 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl TS45579 [0,2,0,0,0,0|1,0,1]=4 2239 B10R1.176 C=Cc1ccc(c(c1)F)F TS06429 [0,2,0,0,0,0|1,0,1]=4 2240 B10R1.176 CCc1ccc(c(c1)C)C TS05926 [0,2,0,0,0,0|1,0,0]=3 2241 B10R1.176 CCc1ccc(c(c1)O)Cl TS41725 [0,2,0,0,0,0|1,0,0]=3 2242 B10R1.176 CCc1ccc(c(c1)O)N TS45705 [0,2,0,0,0,0|1,0,0]=3 2243 B10R1.176 CCc1ccc(c(c1)O)O TS06251 [0,2,0,0,0,0|0,0,0]=2 2244 B10R1.176 COc1cc(c(cn1)Br)N TS87112 [0,2,0,0,0,0|2,0,0]=4 2245 B10R1.176 COc1cc(c(cn1)F)Br TS16770 [0,2,0,0,0,0|2,0,0]=4 2246 B10R1.176 COc1cc(c(cn1)F)I TS65163 [0,2,0,0,0,0|2,0,0]=4 2247 B10R1.176 COc1cc(c(cn1)N)N TS01260 [0,2,0,0,0,0|2,0,0]=4 2248 B10R1.176 COc1cc(c(nc1)Cl)Cl TS46360 [0,2,0,0,0,0|2,0,0]=4 2249 B10R1.176 COc1ccc(c(c1)Br)Br TS65444 [0,2,0,0,0,0|1,0,0]=3 2250 B10R1.176 COc1ccc(c(c1)Br)Cl TS09326 [0,2,0,0,0,0|1,0,0]=3 2251 B10R1.176 COc1ccc(c(c1)Br)N TS19316 [0,2,0,0,0,0|1,0,0]=3 2252 B10R1.176 COc1ccc(c(c1)Cl)Br TS09571 [0,2,0,0,0,0|1,0,0]=3 2253 B10R1.176 COc1ccc(c(c1)Cl)Cl TS13958 [0,2,0,0,0,0|1,0,0]=3 2254 B10R1.176 COc1ccc(c(c1)Cl)F TS42230 [0,2,0,0,0,0|1,0,0]=3 2255 B10R1.176 COc1ccc(c(c1)Cl)O TS55224 [0,2,0,0,0,0|0,0,0]=2 2256 B10R1.176 COc1ccc(c(c1)F)Br TS32865 [0,2,0,0,0,0|1,0,0]=3 2257 B10R1.176 COc1ccc(c(c1)F)Cl TS07778 [0,2,0,0,0,0|1,0,0]=3 2258 B10R1.176 COc1ccc(c(c1)F)F TS60319 [0,2,0,0,0,0|1,0,0]=3 2259 B10R1.176 COc1ccc(c(c1)F)N TS55333 [0,2,0,0,0,0|1,0,0]=3 2260 B10R1.176 COc1ccc(c(c1)F)O TS55337 [0,2,0,0,0,0|0,0,0]=2 2261 B10R1.176 COc1ccc(c(c1)I)Br TS61047 [0,2,0,0,0,0|1,0,0]=3 2262 B10R1.176 COc1ccc(c(c1)I)N TS60298 [0,2,0,0,0,0|1,0,0]=3 2263 B10R1.176 COc1ccc(c(c1)N)Br TS08349 [0,2,0,0,0,0|1,0,0]=3 2264 B10R1.176 COc1ccc(c(c1)N)Cl TS08442 [0,2,0,0,0,0|1,0,0]=3 2265 B10R1.176 COc1ccc(c(c1)N)Cl TS55252 [0,2,0,0,0,0|1,0,0]=3 2266 B10R1.176 COc1ccc(c(c1)N)F TS09302 [0,2,0,0,0,0|1,0,0]=3 2267 B10R1.176 COc1ccc(c(c1)N)N TS94383 [0,2,0,0,0,0|1,0,0]=3 2268 B10R1.176 COc1ccc(c(c1)N)O TS08806 [0,2,0,0,0,0|0,0,0]=2 2269 B10R1.176 COc1ccc(c(c1)O)Br TS08352 [0,2,0,0,0,0|1,0,0]=3 2270 B10R1.176 COc1ccc(c(c1)O)Cl TS11086 [0,2,0,0,0,0|1,0,0]=3 2271 B10R1.176 COc1ccc(c(c1)O)N TS13758 [0,2,0,0,0,0|1,0,0]=3 2272 B10R1.176 COc1ccc(c(n1)Br)N TS85165 [0,2,0,0,0,0|2,0,0]=4 2273 B10R1.176 CSc1ccc(c(c1)Cl)Cl TS51593 [0,2,0,0,0,0|1,0,0]=3 2274 B10R1.176 Cc1c(ccc(n1)OC)Br TS85459 [0,2,0,0,0,0|2,0,0]=4 2275 B10R1.176 Cc1c(ccc(n1)OC)F TS71540 [0,2,0,0,0,0|2,0,0]=4 2276 B10R1.176 Cc1c(ccc(n1)OC)N TS45872 [0,2,0,0,0,0|2,0,0]=4 2277 B10R1.176 Cc1c(ccc(n1)OC)N TS71364 [0,2,0,0,0,0|2,0,0]=4 2278 B10R1.176 Cc1cc(ccc1Br)C#N TS08996 [0,2,0,0,0,0|1,0,1]=4 2279 B10R1.176 Cc1cc(ccc1Br)NN TS19153 [0,2,0,0,0,0|2,0,0]=4 2280 B10R1.176 Cc1cc(ccc1Br)OC TS09585 [0,2,0,0,0,0|1,0,0]=3 2281 B10R1.176 Cc1cc(ccc1Cl)C#N TS07783 [0,2,0,0,0,0|1,0,1]=4 2282 B10R1.176 Cc1cc(ccc1Cl)C=O TS16662 [0,2,0,0,0,0|1,0,1]=4 2283 B10R1.176 Cc1cc(ccc1Cl)NN TS51588 [0,2,0,0,0,0|2,0,0]=4 2284 B10R1.176 Cc1cc(ccc1Cl)OC TS41716 [0,2,0,0,0,0|1,0,0]=3 2285 B10R1.176 Cc1cc(ccc1F)C#C TS05890 [0,2,0,0,0,0|1,0,1]=4 2286 B10R1.176 Cc1cc(ccc1F)C#N TS60403 [0,2,0,0,0,0|1,0,1]=4 2287 B10R1.176 Cc1cc(ccc1F)C=O TS71119 [0,2,0,0,0,0|1,0,1]=4 2288 B10R1.176 Cc1cc(ccc1F)CBr TS38382 [0,2,0,0,0,0|1,0,0]=3 2289 B10R1.176 Cc1cc(ccc1F)CN TS39504 [0,2,0,0,0,0|1,0,0]=3 2290 B10R1.176 Cc1cc(ccc1F)CO TS37371 [0,2,0,0,0,0|1,0,0]=3 2291 B10R1.176 Cc1cc(ccc1F)OC TS60402 [0,2,0,0,0,0|1,0,0]=3 2292 B10R1.176 Cc1cc(ccc1N)C#N TS70891 [0,2,0,0,0,0|1,0,1]=4 2293 B10R1.176 Cc1cc(ccc1N)OC TS71202 [0,2,0,0,0,0|1,0,0]=3 2294 B10R1.176 Cc1cc(ccn1=O)OC TS37281 [0,2,0,0,0,0|1,0,1]=4 2295 B10R1.176 Cc1cc(cnc1Cl)CO TS10913 [0,2,0,0,0,0|2,0,0]=4 2296 B10R1.176 Cc1cc(ncc1Br)OC TS85442 [0,2,0,0,0,0|2,0,0]=4 2297 B10R1.176 Cc1cc(ncc1F)OC TS06580 [0,2,0,0,0,0|2,0,0]=4 2298 B10R1.176 Cc1cc(ncc1N)OC TS37189 [0,2,0,0,0,0|2,0,0]=4 2299 B10R1.176 Cc1ccc(cc1Br)C#N TS09457 [0,2,0,0,0,0|1,0,0]=3 2300 B10R1.176 Cc1ccc(cc1C)C#N TS65764 [0,2,0,0,0,0|1,0,0]=3 2301 B10R1.176 Cc1ccc(cc1C)C=O TS05906 [0,2,0,0,0,0|0,0,1]=3 2302 B10R1.176 Cc1ccc(cc1C)CCl TS41472 [0,2,0,0,0,0|1,0,0]=3 2303 B10R1.176 Cc1ccc(cc1C)CN TS65456 [0,2,0,0,0,0|1,0,0]=3 2304 B10R1.176 Cc1ccc(cc1C)CO TS65455 [0,2,0,0,0,0|0,0,0]=2 2305 B10R1.176 Cc1ccc(cc1C)NN TS13274 [0,2,0,0,0,0|1,0,0]=3 2306 B10R1.176 Cc1ccc(cc1C)OC TS06079 [0,2,0,0,0,0|0,0,0]=2 2307 B10R1.176 Cc1ccc(cc1Cl)C#N TS02025 [0,2,0,0,0,0|1,0,0]=3 2308 B10R1.176 Cc1ccc(cc1Cl)C=O TS41459 [0,2,0,0,0,0|0,0,1]=3 2309 B10R1.176 Cc1ccc(cc1Cl)CCl TS13624 [0,2,0,0,0,0|1,0,0]=3 2310 B10R1.176 Cc1ccc(cc1Cl)CN TS07745 [0,2,0,0,0,0|1,0,0]=3 2311 B10R1.176 Cc1ccc(cc1Cl)CO TS41715 [0,2,0,0,0,0|0,0,0]=2 2312 B10R1.176 Cc1ccc(cc1Cl)NN TS02033 [0,2,0,0,0,0|1,0,0]=3 2313 B10R1.176 Cc1ccc(cc1Cl)OC TS65983 [0,2,0,0,0,0|0,0,0]=2 2314 B10R1.176 Cc1ccc(cc1F)C#N TS02757 [0,2,0,0,0,0|1,0,0]=3 2315 B10R1.176 Cc1ccc(cc1F)CBr TS38381 [0,2,0,0,0,0|1,0,0]=3 2316 B10R1.176 Cc1ccc(cc1F)CCl TS11091 [0,2,0,0,0,0|1,0,0]=3 2317 B10R1.176 Cc1ccc(cc1F)CN TS65517 [0,2,0,0,0,0|1,0,0]=3 2318 B10R1.176 Cc1ccc(cc1F)CO TS06453 [0,2,0,0,0,0|0,0,0]=2 2319 B10R1.176 Cc1ccc(cc1F)NN TS65519 [0,2,0,0,0,0|1,0,0]=3 2320 B10R1.176 Cc1ccc(cc1F)OC TS65516 [0,2,0,0,0,0|0,0,0]=2 2321 B10R1.176 Cc1ccc(cc1N)C#N TS65469 [0,2,0,0,0,0|1,0,0]=3 2322 B10R1.176 Cc1ccc(cc1N)OC TS39535 [0,2,0,0,0,0|0,0,0]=2 2323 B10R1.176 Cc1ccc(cc1O)C=O TS36990 [0,2,0,0,0,0|0,0,1]=3 2324 B10R1.176 Cn1cc(ccc1=O)CN TS86810 [0,2,0,0,0,0|1,0,1]=4 2325 B10R1.176 Cn1cc(ccc1=O)CO TS88694 [0,2,0,0,0,0|1,0,1]=4 2326 B10R1.176 Cn1ccc(cc1=O)C=O TS91817 [0,2,0,0,0,0|1,0,1]=4 2327 B10R1.176 Cn1ccc(cc1=O)CN TS86809 [0,2,0,0,0,0|2,0,0]=4 2328 B10R1.176 Cn1ccc(cc1=O)CO TS87554 [0,2,0,0,0,0|1,0,0]=3 2329 B10R1.176 [C-]#[N+]c1ccc(c(c1)Cl)Cl TS13097 [0,2,0,0,0,0|1,0,1]=4 2330 B10R1.176 c1c(cnc(c1Br)O)C#N TS85257 [0,2,0,0,0,0|1,0,1]=4 2331 B10R1.176 c1c(cnc(c1Cl)Cl)CO TS46361 [0,2,0,0,0,0|2,0,0]=4 2332 B10R1.176 c1c(cnc(c1Cl)O)C=O TS85209 [0,2,0,0,0,0|1,0,1]=4 2333 B10R1.176 c1c(ncc(c1Cl)F)CO TS88580 [0,2,0,0,0,0|2,0,0]=4 2334 B10R1.176 c1c(occ(c1=O)O)CO TS06646 [0,2,0,0,0,0|1,0,0]=3 2335 B10R1.176 c1c(occ(c1=O)O)CO TS42677 [0,2,0,0,0,0|1,0,0]=3 2336 B10R1.176 c1cc(c(cc1C#N)Br)Cl TS65916 [0,2,0,0,0,0|1,0,1]=4 2337 B10R1.176 c1cc(c(cc1C#N)Br)F TS09444 [0,2,0,0,0,0|1,0,1]=4 2338 B10R1.176 c1cc(c(cc1C#N)Br)N TS39468 [0,2,0,0,0,0|1,0,1]=4 2339 B10R1.176 c1cc(c(cc1C#N)Br)O TS01840 [0,2,0,0,0,0|0,0,1]=3 2340 B10R1.176 c1cc(c(cc1C#N)Cl)Cl TS13100 [0,2,0,0,0,0|1,0,1]=4 2341 B10R1.176 c1cc(c(cc1C#N)Cl)F TS02683 [0,2,0,0,0,0|1,0,1]=4 2342 B10R1.176 c1cc(c(cc1C#N)Cl)N TS39469 [0,2,0,0,0,0|1,0,1]=4 2343 B10R1.176 c1cc(c(cc1C#N)Cl)O TS02694 [0,2,0,0,0,0|0,0,1]=3 2344 B10R1.176 c1cc(c(cc1C#N)F)Br TS09578 [0,2,0,0,0,0|1,0,1]=4 2345 B10R1.176 c1cc(c(cc1C#N)F)F TS65753 [0,2,0,0,0,0|1,0,1]=4 2346 B10R1.176 c1cc(c(cc1C#N)F)I TS65511 [0,2,0,0,0,0|1,0,1]=4 2347 B10R1.176 c1cc(c(cc1C#N)F)N TS02744 [0,2,0,0,0,0|1,0,1]=4 2348 B10R1.176 c1cc(c(cc1C#N)F)O TS65508 [0,2,0,0,0,0|0,0,1]=3 2349 B10R1.176 c1cc(c(cc1C#N)I)N TS70885 [0,2,0,0,0,0|1,0,1]=4 2350 B10R1.176 c1cc(c(cc1C#N)N)Cl TS65853 [0,2,0,0,0,0|1,0,1]=4 2351 B10R1.176 c1cc(c(cc1C#N)N)F TS65467 [0,2,0,0,0,0|1,0,1]=4 2352 B10R1.176 c1cc(c(cc1C#N)N)N TS02528 [0,2,0,0,0,0|1,0,1]=4 2353 B10R1.176 c1cc(c(cc1C#N)N)O TS60259 [0,2,0,0,0,0|0,0,1]=3 2354 B10R1.176 c1cc(c(cc1C#N)O)F TS39501 [0,2,0,0,0,0|1,0,1]=4 2355 B10R1.176 c1cc(c(cc1C#N)O)O TS65452 [0,2,0,0,0,0|0,0,1]=3 2356 B10R1.176 c1cc(c(cc1C=O)Br)Br TS29980 [0,2,0,0,0,0|1,0,1]=4 2357 B10R1.176 c1cc(c(cc1C=O)Br)F TS65921 [0,2,0,0,0,0|1,0,1]=4 2358 B10R1.176 c1cc(c(cc1C=O)Br)O TS19137 [0,2,0,0,0,0|0,0,1]=3 2359 B10R1.176 c1cc(c(cc1C=O)Cl)Cl TS02538 [0,2,0,0,0,0|1,0,1]=4 2360 B10R1.176 c1cc(c(cc1C=O)Cl)F TS02681 [0,2,0,0,0,0|1,0,1]=4 2361 B10R1.176 c1cc(c(cc1C=O)Cl)O TS02693 [0,2,0,0,0,0|0,0,1]=3 2362 B10R1.176 c1cc(c(cc1C=O)F)Br TS09575 [0,2,0,0,0,0|1,0,1]=4 2363 B10R1.176 c1cc(c(cc1C=O)F)Cl TS71035 [0,2,0,0,0,0|1,0,1]=4 2364 B10R1.176 c1cc(c(cc1C=O)F)F TS65750 [0,2,0,0,0,0|1,0,1]=4 2365 B10R1.176 c1cc(c(cc1C=O)F)I TS02750 [0,2,0,0,0,0|1,0,1]=4 2366 B10R1.176 c1cc(c(cc1C=O)F)O TS02747 [0,2,0,0,0,0|0,0,1]=3 2367 B10R1.176 c1cc(c(cc1C=O)I)F TS62781 [0,2,0,0,0,0|1,0,1]=4 2368 B10R1.176 c1cc(c(cc1C=O)I)I TS66266 [0,2,0,0,0,0|1,0,1]=4 2369 B10R1.176 c1cc(c(cc1C=O)I)O TS27693 [0,2,0,0,0,0|0,0,1]=3 2370 B10R1.176 c1cc(c(cc1C=O)O)I TS39306 [0,2,0,0,0,0|1,0,1]=4 2371 B10R1.176 c1cc(c(cc1C=O)O)O TS60159 [0,2,0,0,0,0|0,0,1]=3 2372 B10R1.176 c1cc(c(cc1CBr)Br)F TS09327 [0,2,0,0,0,0|1,0,0]=3 2373 B10R1.176 c1cc(c(cc1CBr)Cl)Cl TS02539 [0,2,0,0,0,0|1,0,0]=3 2374 B10R1.176 c1cc(c(cc1CBr)Cl)F TS02685 [0,2,0,0,0,0|1,0,0]=3 2375 B10R1.176 c1cc(c(cc1CBr)F)Br TS29436 [0,2,0,0,0,0|1,0,0]=3 2376 B10R1.176 c1cc(c(cc1CBr)F)Cl TS09634 [0,2,0,0,0,0|1,0,0]=3 2377 B10R1.176 c1cc(c(cc1CBr)F)F TS65754 [0,2,0,0,0,0|1,0,0]=3 2378 B10R1.176 c1cc(c(cc1CCl)Cl)F TS65497 [0,2,0,0,0,0|1,0,0]=3 2379 B10R1.176 c1cc(c(cc1CCl)F)Cl TS07779 [0,2,0,0,0,0|1,0,0]=3 2380 B10R1.176 c1cc(c(cc1CCl)F)F TS65755 [0,2,0,0,0,0|1,0,0]=3 2381 B10R1.176 c1cc(c(cc1CN)Br)O TS19315 [0,2,0,0,0,0|0,0,0]=2 2382 B10R1.176 c1cc(c(cc1CN)Cl)Cl TS46040 [0,2,0,0,0,0|1,0,0]=3 2383 B10R1.176 c1cc(c(cc1CN)Cl)F TS02691 [0,2,0,0,0,0|1,0,0]=3 2384 B10R1.176 c1cc(c(cc1CN)F)Cl TS11187 [0,2,0,0,0,0|1,0,0]=3 2385 B10R1.176 c1cc(c(cc1CN)F)F TS65451 [0,2,0,0,0,0|1,0,0]=3 2386 B10R1.176 c1cc(c(cc1CN)O)O TS06377 [0,2,0,0,0,0|0,0,0]=2 2387 B10R1.176 c1cc(c(cc1CN)O)O TS22688 [0,2,0,0,0,0|0,0,0]=2 2388 B10R1.176 c1cc(c(cc1CO)Br)O TS38375 [0,2,0,0,0,0|0,0,0]=2 2389 B10R1.176 c1cc(c(cc1CO)Cl)Cl TS13956 [0,2,0,0,0,0|1,0,0]=3 2390 B10R1.176 c1cc(c(cc1CO)Cl)F TS65496 [0,2,0,0,0,0|1,0,0]=3 2391 B10R1.176 c1cc(c(cc1CO)F)Br TS19893 [0,2,0,0,0,0|1,0,0]=3 2392 B10R1.176 c1cc(c(cc1CO)F)Cl TS42234 [0,2,0,0,0,0|1,0,0]=3 2393 B10R1.176 c1cc(c(cc1CO)F)F TS65450 [0,2,0,0,0,0|1,0,0]=3 2394 B10R1.176 c1cc(c(cc1CO)O)I TS39307 [0,2,0,0,0,0|1,0,0]=3 2395 B10R1.176 c1cc(c(cc1CO)O)O TS37342 [0,2,0,0,0,0|0,0,0]=2 2396 B10R1.176 c1cc(c(cc1CS)Cl)Cl TS51592 [0,2,0,0,0,0|1,0,0]=3 2397 B10R1.176 c1cc(c(cc1C[Zn+])F)F TS33417 [0,2,0,0,0,0|1,0,0]=3 2398 B10R1.176 c1cc(c(cc1NN)Cl)Cl TS21553 [0,2,0,0,0,0|2,0,0]=4 2399 B10R1.176 c1cc(c(cc1NN)Cl)F TS18404 [0,2,0,0,0,0|2,0,0]=4 2400 B10R1.176 c1cc(c(cc1NN)Cl)F TS42242 [0,2,0,0,0,0|2,0,0]=4 2401 B10R1.176 c1cc(c(cc1NN)F)F TS47994 [0,2,0,0,0,0|2,0,0]=4 2402 B10R1.176 c1cc(c(cc1NN)F)F TS65759 [0,2,0,0,0,0|2,0,0]=4 2403 B10R1.176 c1cc(c(cc1[Mg]Br)F)F TS49307 [0,2,0,0,0,0|2,0,0]=4 2404 B10R1.22 C1=C(C(=O)C(=CC1=O)Br)Br TS73447 [0,2,0,0,0,0|1,0,1]=4 2405 B10R1.22 C1=C(C(=O)C(=CC1=O)Cl)Cl TS13951 [0,2,0,0,0,0|1,0,1]=4 2406 B10R1.22 C1=C(C(=O)C(=CC1=O)I)I TS79502 [0,2,0,0,0,0|1,0,1]=4 2407 B10R1.22 CC1=CC(=O)C=C(C1=O)C TS00701 [0,2,0,0,0,0|1,0,1]=4 2408 B10R1.22 Cc1c(cc(cc1Br)Br)Br TS63567 [0,2,0,0,0,0|1,0,0]=3 2409 B10R1.22 Cc1c(cc(cc1Br)N)Br TS08848 [0,2,0,0,0,0|1,0,0]=3 2410 B10R1.22 Cc1c(cc(cc1Br)O)Br TS07731 [0,2,0,0,0,0|0,0,0]=2 2411 B10R1.22 Cc1c(cc(cc1F)F)F TS65335 [0,2,0,0,0,0|1,0,0]=3 2412 B10R1.22 Cc1c(cc(cc1O)O)O TS37338 [0,2,0,0,0,0|0,0,0]=2 2413 B10R1.22 Cc1c(oc(=O)cc1O)C TS22853 [0,2,0,0,0,0|1,0,1]=4 2414 B10R1.22 Cc1cc([n+](c(c1)C)F)C TS24301 [0,2,0,0,0,0|2,0,0]=4 2415 B10R1.22 Cc1cc([n+](c(c1)C)F)C TS58008 [0,2,0,0,0,0|2,0,0]=4 2416 B10R1.22 Cc1cc(c(c(c1)Br)F)C TS19505 [0,2,0,0,0,0|1,0,0]=3 2417 B10R1.22 Cc1cc(c(c(c1)Br)I)Br TS67028 [0,2,0,0,0,0|1,0,0]=3 2418 B10R1.22 Cc1cc(c(c(c1)Br)N)Br TS00691 [0,2,0,0,0,0|1,0,0]=3 2419 B10R1.22 Cc1cc(c(c(c1)Br)N)C TS55093 [0,2,0,0,0,0|1,0,0]=3 2420 B10R1.22 Cc1cc(c(c(c1)Br)O)Br TS73451 [0,2,0,0,0,0|0,0,0]=2 2421 B10R1.22 Cc1cc(c(c(c1)Br)O)C TS38048 [0,2,0,0,0,0|0,0,0]=2 2422 B10R1.22 Cc1cc(c(c(c1)C)Br)C TS39648 [0,2,0,0,0,0|1,0,0]=3 2423 B10R1.22 Cc1cc(c(c(c1)C)C)C TS36856 [0,2,0,0,0,0|1,0,0]=3 2424 B10R1.22 Cc1cc(c(c(c1)C)Cl)C TS41468 [0,2,0,0,0,0|1,0,0]=3 2425 B10R1.22 Cc1cc(c(c(c1)C)F)C TS06285 [0,2,0,0,0,0|1,0,0]=3 2426 B10R1.22 Cc1cc(c(c(c1)C)I)C TS27404 [0,2,0,0,0,0|1,0,0]=3 2427 B10R1.22 Cc1cc(c(c(c1)C)N)C TS36959 [0,2,0,0,0,0|1,0,0]=3 2428 B10R1.22 Cc1cc(c(c(c1)C)S)C TS41193 [0,2,0,0,0,0|0,1,0]=3 2429 B10R1.22 Cc1cc(c(c(c1)Cl)N)C TS41560 [0,2,0,0,0,0|1,0,0]=3 2430 B10R1.22 Cc1cc(c(c(c1)Cl)O)Cl TS13960 [0,2,0,0,0,0|0,0,0]=2 2431 B10R1.22 Cc1cc(c(c(c1)F)F)F TS65443 [0,2,0,0,0,0|1,0,0]=3 2432 B10R1.22 Cc1cc(c(c(c1)I)I)C TS66275 [0,2,0,0,0,0|1,0,0]=3 2433 B10R1.22 Cc1cc(c(c(c1)I)N)C TS27557 [0,2,0,0,0,0|1,0,0]=3 2434 B10R1.22 Cc1cc(c(c(c1)I)O)C TS62515 [0,2,0,0,0,0|0,0,0]=2 2435 B10R1.22 Cc1cc(c(c(c1)N)N)C TS37045 [0,2,0,0,0,0|1,0,0]=3 2436 B10R1.22 Cc1cc(c(c(c1)N)O)C TS37122 [0,2,0,0,0,0|0,0,0]=2 2437 B10R1.22 Cc1cc(c(c(c1)O)C)C TS06087 [0,2,0,0,0,0|1,0,0]=3 2438 B10R1.22 Cc1cc(c(c(c1)O)C)O TS06263 [0,2,0,0,0,0|1,0,0]=3 2439 B10R1.22 Cc1cc(c(c(c1)O)Cl)C TS41728 [0,2,0,0,0,0|1,0,0]=3 2440 B10R1.22 Cc1cc(c(c(c1)O)O)O TS06435 [0,2,0,0,0,0|0,0,0]=2 2441 B10R1.22 Cc1cc(c(c(n1)Br)O)Br TS30359 [0,2,0,0,0,0|1,0,0]=3 2442 B10R1.22 Cc1cc(c(c(n1)C)Br)Br TS68906 [0,2,0,0,0,0|2,0,0]=4 2443 B10R1.22 Cc1cc(cc(c1Br)C)O TS16766 [0,2,0,0,0,0|1,0,0]=3 2444 B10R1.22 Cc1cc(cc(c1C)C)N TS36941 [0,2,0,0,0,0|1,0,0]=3 2445 B10R1.22 Cc1cc(cc(c1C)C)O TS06086 [0,2,0,0,0,0|0,0,0]=2 2446 B10R1.22 Cc1cc(cc(c1C)O)O TS06246 [0,2,0,0,0,0|0,0,0]=2 2447 B10R1.22 Cc1cc(cc(c1Cl)C)Br TS49665 [0,2,0,0,0,0|2,0,0]=4 2448 B10R1.22 Cc1cc(cc(c1Cl)C)F TS09280 [0,2,0,0,0,0|2,0,0]=4 2449 B10R1.22 Cc1cc(cc(c1Cl)C)O TS71031 [0,2,0,0,0,0|1,0,0]=3 2450 B10R1.22 Cc1cc(cc(c1F)C)Br TS71422 [0,2,0,0,0,0|2,0,0]=4 2451 B10R1.22 Cc1cc(cc(c1F)C)N TS37291 [0,2,0,0,0,0|2,0,0]=4 2452 B10R1.22 Cc1cc(cc(c1F)F)F TS65310 [0,2,0,0,0,0|2,0,0]=4 2453 B10R1.22 Cc1cc(cc(c1I)C)Br TS09785 [0,2,0,0,0,0|2,0,0]=4 2454 B10R1.22 Cc1cc(cc(c1I)C)I TS66271 [0,2,0,0,0,0|2,0,0]=4 2455 B10R1.22 Cc1cc(cc(c1I)C)N TS71190 [0,2,0,0,0,0|2,0,0]=4 2456 B10R1.22 Cc1cc(cc(c1I)C)O TS16727 [0,2,0,0,0,0|1,0,0]=3 2457 B10R1.22 Cc1cc(cc(c1I)Cl)Cl TS35012 [0,2,0,0,0,0|2,0,0]=4 2458 B10R1.22 Cc1cc(cc(c1I)O)Cl TS73798 [0,2,0,0,0,0|2,0,0]=4 2459 B10R1.22 Cc1cc(cc(c1N)Br)Br TS09264 [0,2,0,0,0,0|2,0,0]=4 2460 B10R1.22 Cc1cc(cc(c1N)Br)F TS55103 [0,2,0,0,0,0|2,0,0]=4 2461 B10R1.22 Cc1cc(cc(c1N)C)Br TS37845 [0,2,0,0,0,0|2,0,0]=4 2462 B10R1.22 Cc1cc(cc(c1N)C)Cl TS51404 [0,2,0,0,0,0|2,0,0]=4 2463 B10R1.22 Cc1cc(cc(c1N)C)Cl TS60056 [0,2,0,0,0,0|2,0,0]=4 2464 B10R1.22 Cc1cc(cc(c1N)C)F TS37289 [0,2,0,0,0,0|2,0,0]=4 2465 B10R1.22 Cc1cc(cc(c1N)C)I TS27561 [0,2,0,0,0,0|2,0,0]=4 2466 B10R1.22 Cc1cc(cc(c1N)C)O TS06189 [0,2,0,0,0,0|1,0,0]=3 2467 B10R1.22 Cc1cc(cc(c1N)Cl)Cl TS46042 [0,2,0,0,0,0|2,0,0]=4 2468 B10R1.22 Cc1cc(cc(c1N)N)Br TS08702 [0,2,0,0,0,0|2,0,0]=4 2469 B10R1.22 Cc1cc(cc(c1O)Br)Br TS73452 [0,2,0,0,0,0|1,0,0]=3 2470 B10R1.22 Cc1cc(cc(c1O)C)Br TS38039 [0,2,0,0,0,0|1,0,0]=3 2471 B10R1.22 Cc1cc(cc(c1O)C)Cl TS41719 [0,2,0,0,0,0|1,0,0]=3 2472 B10R1.22 Cc1cc(cc(c1O)C)F TS37368 [0,2,0,0,0,0|1,0,0]=3 2473 B10R1.22 Cc1cc(cc(c1O)C)I TS62511 [0,2,0,0,0,0|1,0,0]=3 2474 B10R1.22 Cc1cc(cc(c1O)C)O TS32897 [0,2,0,0,0,0|1,0,0]=3 2475 B10R1.22 Cc1cc(cc(c1O)Cl)Br TS50007 [0,2,0,0,0,0|1,0,0]=3 2476 B10R1.22 Cc1cc(cc(c1O)Cl)Cl TS13954 [0,2,0,0,0,0|1,0,0]=3 2477 B10R1.22 Cc1cc(nc(c1C)O)O TS06372 [0,2,0,0,0,0|1,0,0]=3 2478 B10R1.22 Cc1cc(nc(c1N)Br)C TS08967 [0,2,0,0,0,0|2,0,0]=4 2479 B10R1.22 c1c(c(c(nc1Br)Br)O)Br TS63739 [0,2,0,0,0,0|2,0,0]=4 2480 B10R1.22 c1c(cc(c(c1Br)Br)Br)Cl TS78958 [0,2,0,0,0,0|2,0,0]=4 2481 B10R1.22 c1c(cc(c(c1Br)Br)Br)F TS63806 [0,2,0,0,0,0|2,0,0]=4 2482 B10R1.22 c1c(cc(c(c1Br)Cl)Br)F TS57940 [0,2,0,0,0,0|2,0,0]=4 2483 B10R1.22 c1c(cc(c(c1Br)F)Br)N TS02348 [0,2,0,0,0,0|2,0,0]=4 2484 B10R1.22 c1c(cc(c(c1Br)I)Br)Br TS70336 [0,2,0,0,0,0|2,0,0]=4 2485 B10R1.22 c1c(cc(c(c1Br)I)Br)Cl TS69121 [0,2,0,0,0,0|2,0,0]=4 2486 B10R1.22 c1c(cc(c(c1Br)I)Br)F TS65352 [0,2,0,0,0,0|2,0,0]=4 2487 B10R1.22 c1c(cc(c(c1Br)N)Br)Br TS77833 [0,2,0,0,0,0|2,0,0]=4 2488 B10R1.22 c1c(cc(c(c1Br)N)Br)F TS65351 [0,2,0,0,0,0|2,0,0]=4 2489 B10R1.22 c1c(cc(c(c1Br)O)Br)Br TS77913 [0,2,0,0,0,0|1,0,0]=3 2490 B10R1.22 c1c(cc(c(c1Br)O)Br)F TS65353 [0,2,0,0,0,0|1,0,0]=3 2491 B10R1.22 c1c(cc(c(c1Br)O)Br)N TS30356 [0,2,0,0,0,0|1,0,0]=3 2492 B10R1.22 c1c(cc(c(c1Br)O)Br)N TS83137 [0,2,0,0,0,0|1,0,0]=3 2493 B10R1.22 c1c(cc(c(c1Br)O)Br)O TS73692 [0,2,0,0,0,0|1,0,0]=3 2494 B10R1.22 c1c(cc(c(c1Cl)Br)Br)Cl TS75781 [0,2,0,0,0,0|2,0,0]=4 2495 B10R1.22 c1c(cc(c(c1Cl)Br)Cl)Cl TS29577 [0,2,0,0,0,0|2,0,0]=4 2496 B10R1.22 c1c(cc(c(c1Cl)Cl)Br)Br TS75783 [0,2,0,0,0,0|2,0,0]=4 2497 B10R1.22 c1c(cc(c(c1Cl)Cl)Br)Cl TS29578 [0,2,0,0,0,0|2,0,0]=4 2498 B10R1.22 c1c(cc(c(c1Cl)Cl)Cl)Br TS02061 [0,2,0,0,0,0|2,0,0]=4 2499 B10R1.22 c1c(cc(c(c1Cl)Cl)Cl)Cl TS16684 [0,2,0,0,0,0|2,0,0]=4 2500 B10R1.22 c1c(cc(c(c1Cl)Cl)Cl)N TS22868 [0,2,0,0,0,0|2,0,0]=4 2501 B10R1.22 c1c(cc(c(c1Cl)Cl)Cl)O TS65738 [0,2,0,0,0,0|1,0,0]=3 2502 B10R1.22 c1c(cc(c(c1Cl)F)Cl)Cl TS18871 [0,2,0,0,0,0|2,0,0]=4 2503 B10R1.22 c1c(cc(c(c1Cl)F)Cl)F TS02103 [0,2,0,0,0,0|2,0,0]=4 2504 B10R1.22 c1c(cc(c(c1Cl)F)Cl)N TS02353 [0,2,0,0,0,0|2,0,0]=4 2505 B10R1.22 c1c(cc(c(c1Cl)I)Br)Br TS69122 [0,2,0,0,0,0|2,0,0]=4 2506 B10R1.22 c1c(cc(c(c1Cl)I)Br)Cl TS64806 [0,2,0,0,0,0|2,0,0]=4 2507 B10R1.22 c1c(cc(c(c1Cl)I)Cl)Cl TS76183 [0,2,0,0,0,0|2,0,0]=4 2508 B10R1.22 c1c(cc(c(c1Cl)N)Br)Br TS34866 [0,2,0,0,0,0|2,0,0]=4 2509 B10R1.22 c1c(cc(c(c1Cl)N)Br)Cl TS57481 [0,2,0,0,0,0|2,0,0]=4 2510 B10R1.22 c1c(cc(c(c1Cl)N)Br)F TS65387 [0,2,0,0,0,0|2,0,0]=4 2511 B10R1.22 c1c(cc(c(c1Cl)N)Cl)Br TS70954 [0,2,0,0,0,0|2,0,0]=4 2512 B10R1.22 c1c(cc(c(c1Cl)N)Cl)Cl TS18345 [0,2,0,0,0,0|2,0,0]=4 2513 B10R1.22 c1c(cc(c(c1Cl)N)Cl)F TS47819 [0,2,0,0,0,0|2,0,0]=4 2514 B10R1.22 c1c(cc(c(c1Cl)N)Cl)I TS35098 [0,2,0,0,0,0|2,0,0]=4 2515 B10R1.22 c1c(cc(c(c1Cl)N)Cl)N TS13968 [0,2,0,0,0,0|2,0,0]=4 2516 B10R1.22 c1c(cc(c(c1Cl)O)Br)Cl TS57628 [0,2,0,0,0,0|1,0,0]=3 2517 B10R1.22 c1c(cc(c(c1Cl)O)Cl)Br TS01805 [0,2,0,0,0,0|1,0,0]=3 2518 B10R1.22 c1c(cc(c(c1Cl)O)Cl)Cl TS18506 [0,2,0,0,0,0|1,0,0]=3 2519 B10R1.22 c1c(cc(c(c1Cl)O)Cl)Cl TS49659 [0,2,0,0,0,0|1,0,0]=3 2520 B10R1.22 c1c(cc(c(c1Cl)O)Cl)F TS14715 [0,2,0,0,0,0|1,0,0]=3 2521 B10R1.22 c1c(cc(c(c1Cl)O)Cl)N TS69386 [0,2,0,0,0,0|1,0,0]=3 2522 B10R1.22 c1c(cc(c(c1Cl)O)Cl)N TS70867 [0,2,0,0,0,0|1,0,0]=3 2523 B10R1.22 c1c(cc(c(c1Cl)O)Cl)O TS14334 [0,2,0,0,0,0|1,0,0]=3 2524 B10R1.22 c1c(cc(c(c1F)Br)Br)Br TS78039 [0,2,0,0,0,0|2,0,0]=4 2525 B10R1.22 c1c(cc(c(c1F)Br)Br)Cl TS57941 [0,2,0,0,0,0|2,0,0]=4 2526 B10R1.22 c1c(cc(c(c1F)Br)Br)F TS74181 [0,2,0,0,0,0|2,0,0]=4 2527 B10R1.22 c1c(cc(c(c1F)Br)F)Cl TS32905 [0,2,0,0,0,0|2,0,0]=4 2528 B10R1.22 c1c(cc(c(c1F)Br)F)F TS65332 [0,2,0,0,0,0|2,0,0]=4 2529 B10R1.22 c1c(cc(c(c1F)Br)F)I TS77024 [0,2,0,0,0,0|2,0,0]=4 2530 B10R1.22 c1c(cc(c(c1F)Br)F)N TS60391 [0,2,0,0,0,0|2,0,0]=4 2531 B10R1.22 c1c(cc(c(c1F)Br)F)O TS70974 [0,2,0,0,0,0|1,0,0]=3 2532 B10R1.22 c1c(cc(c(c1F)Cl)Br)Br TS57942 [0,2,0,0,0,0|2,0,0]=4 2533 B10R1.22 c1c(cc(c(c1F)Cl)Br)Cl TS27076 [0,2,0,0,0,0|2,0,0]=4 2534 B10R1.22 c1c(cc(c(c1F)Cl)F)Br TS39525 [0,2,0,0,0,0|2,0,0]=4 2535 B10R1.22 c1c(cc(c(c1F)Cl)F)F TS12298 [0,2,0,0,0,0|2,0,0]=4 2536 B10R1.22 c1c(cc(c(c1F)Cl)F)O TS65797 [0,2,0,0,0,0|1,0,0]=3 2537 B10R1.22 c1c(cc(c(c1F)F)Br)F TS65309 [0,2,0,0,0,0|2,0,0]=4 2538 B10R1.22 c1c(cc(c(c1F)F)Br)N TS65481 [0,2,0,0,0,0|2,0,0]=4 2539 B10R1.22 c1c(cc(c(c1F)F)F)Br TS93273 [0,2,0,0,0,0|2,0,0]=4 2540 B10R1.22 c1c(cc(c(c1F)F)F)Br TS93306 [0,2,0,0,0,0|2,0,0]=4 2541 B10R1.22 c1c(cc(c(c1F)F)F)F TS07627 [0,2,0,0,0,0|2,0,0]=4 2542 B10R1.22 c1c(cc(c(c1F)F)F)N TS60313 [0,2,0,0,0,0|2,0,0]=4 2543 B10R1.22 c1c(cc(c(c1F)F)F)O TS65442 [0,2,0,0,0,0|1,0,0]=3 2544 B10R1.22 c1c(cc(c(c1F)I)Br)Cl TS78193 [0,2,0,0,0,0|2,0,0]=4 2545 B10R1.22 c1c(cc(c(c1F)I)Br)F TS16841 [0,2,0,0,0,0|2,0,0]=4 2546 B10R1.22 c1c(cc(c(c1F)I)F)Br TS77022 [0,2,0,0,0,0|2,0,0]=4 2547 B10R1.22 c1c(cc(c(c1F)I)F)N TS02197 [0,2,0,0,0,0|2,0,0]=4 2548 B10R1.22 c1c(cc(c(c1F)N)Br)Br TS73824 [0,2,0,0,0,0|2,0,0]=4 2549 B10R1.22 c1c(cc(c(c1F)N)Br)Cl TS23900 [0,2,0,0,0,0|2,0,0]=4 2550 B10R1.22 c1c(cc(c(c1F)N)Br)F TS16839 [0,2,0,0,0,0|2,0,0]=4 2551 B10R1.22 c1c(cc(c(c1F)N)Br)F TS57985 [0,2,0,0,0,0|2,0,0]=4 2552 B10R1.22 c1c(cc(c(c1F)N)Cl)F TS08827 [0,2,0,0,0,0|2,0,0]=4 2553 B10R1.22 c1c(cc(c(c1F)N)F)F TS65328 [0,2,0,0,0,0|2,0,0]=4 2554 B10R1.22 c1c(cc(c(c1F)N)F)I TS09245 [0,2,0,0,0,0|2,0,0]=4 2555 B10R1.22 c1c(cc(c(c1F)N)F)O TS07071 [0,2,0,0,0,0|1,0,0]=3 2556 B10R1.22 c1c(cc(c(c1F)N)I)Cl TS74162 [0,2,0,0,0,0|2,0,0]=4 2557 B10R1.22 c1c(cc(c(c1F)O)Br)Br TS73942 [0,2,0,0,0,0|1,0,0]=3 2558 B10R1.22 c1c(cc(c(c1F)O)Br)F TS43579 [0,2,0,0,0,0|1,0,0]=3 2559 B10R1.22 c1c(cc(c(c1F)O)Cl)Br TS16929 [0,2,0,0,0,0|1,0,0]=3 2560 B10R1.22 c1c(cc(c(c1F)O)F)Br TS34643 [0,2,0,0,0,0|1,0,0]=3 2561 B10R1.22 c1c(cc(c(c1F)O)F)F TS65333 [0,2,0,0,0,0|1,0,0]=3 2562 B10R1.22 c1c(cc(c(c1F)O)F)N TS70870 [0,2,0,0,0,0|1,0,0]=3 2563 B10R1.22 c1c(cc(c(c1I)N)I)I TS82798 [0,2,0,0,0,0|2,0,0]=4 2564 B10R1.22 c1c(cc(c(c1I)O)I)I TS72266 [0,2,0,0,0,0|1,0,0]=3 2565 B10R1.22 c1c(cc(c(c1I)O)I)O TS66458 [0,2,0,0,0,0|1,0,0]=3 2566 B10R1.22 c1c(cc(c(c1N)Cl)F)F TS65391 [0,2,0,0,0,0|2,0,0]=4 2567 B10R1.22 c1c(cc(c(c1N)F)F)F TS65303 [0,2,0,0,0,0|2,0,0]=4 2568 B10R1.22 c1c(cc(c(c1N)N)Br)Br TS59142 [0,2,0,0,0,0|2,0,0]=4 2569 B10R1.22 c1c(cc(c(c1N)N)F)F TS06921 [0,2,0,0,0,0|2,0,0]=4 2570 B10R1.22 c1c(cc(c(c1N)O)Cl)Cl TS22988 [0,2,0,0,0,0|1,0,0]=3 2571 B10R1.22 c1c(cc(c(c1N)O)F)Br TS38917 [0,2,0,0,0,0|1,0,0]=3 2572 B10R1.22 c1c(cc(c(c1N)O)F)F TS07070 [0,2,0,0,0,0|1,0,0]=3 2573 B10R1.22 c1c(cc(c(c1O)Br)F)F TS43578 [0,2,0,0,0,0|2,0,0]=4 2574 B10R1.22 c1c(cc(c(c1O)Cl)Cl)Cl TS85184 [0,2,0,0,0,0|2,0,0]=4 2575 B10R1.22 c1c(cc(c(c1O)F)F)Br TS39524 [0,2,0,0,0,0|2,0,0]=4 2576 B10R1.22 c1c(cc(c(c1O)F)F)F TS85185 [0,2,0,0,0,0|2,0,0]=4 2577 B10R1.22 c1c(cc(c(c1O)I)Cl)Cl TS57983 [0,2,0,0,0,0|2,0,0]=4 2578 B10R1.30 C=Cc1cc(ccc1Cl)Cl TS45578 [0,2,0,0,0,0|2,0,0]=4 2579 B10R1.30 C=Cc1cc(ccc1F)F TS06428 [0,2,0,0,0,0|2,0,0]=4 2580 B10R1.30 CCc1c(ccc(n1)C)O TS55310 [0,2,0,0,0,0|1,0,0]=3 2581 B10R1.30 CCc1cc(ccc1C)C TS05930 [0,2,0,0,0,0|1,0,0]=3 2582 B10R1.30 CCc1cc(ccc1Cl)O TS41712 [0,2,0,0,0,0|1,0,0]=3 2583 B10R1.30 CCc1cc(ccc1I)Br TS76460 [0,2,0,0,0,0|2,0,0]=4 2584 B10R1.30 CCc1cc(ccc1N)Br TS25964 [0,2,0,0,0,0|2,0,0]=4 2585 B10R1.30 CCc1cc(ccc1N)Br TS37843 [0,2,0,0,0,0|2,0,0]=4 2586 B10R1.30 CCc1cc(ccc1N)I TS27559 [0,2,0,0,0,0|2,0,0]=4 2587 B10R1.30 CCc1cc(ccc1O)F TS37365 [0,2,0,0,0,0|1,0,0]=3 2588 B10R1.30 CCc1cc(ccc1O)O TS06259 [0,2,0,0,0,0|1,0,0]=3 2589 B10R1.30 COC1=CC(=O)C=CC1=O TS06228 [0,2,0,0,0,0|1,0,1]=4 2590 B10R1.30 COc1cc(ccc1Br)Cl TS08813 [0,2,0,0,0,0|2,0,0]=4 2591 B10R1.30 COc1cc(ccc1Br)F TS65379 [0,2,0,0,0,0|2,0,0]=4 2592 B10R1.30 COc1cc(ccc1Br)I TS01774 [0,2,0,0,0,0|2,0,0]=4 2593 B10R1.30 COc1cc(ccc1Br)N TS00018 [0,2,0,0,0,0|2,0,0]=4 2594 B10R1.30 COc1cc(ccc1Br)O TS00019 [0,2,0,0,0,0|1,0,0]=3 2595 B10R1.30 COc1cc(ccc1Cl)Br TS39527 [0,2,0,0,0,0|2,0,0]=4 2596 B10R1.30 COc1cc(ccc1Cl)Cl TS13962 [0,2,0,0,0,0|2,0,0]=4 2597 B10R1.30 COc1cc(ccc1Cl)F TS09281 [0,2,0,0,0,0|2,0,0]=4 2598 B10R1.30 COc1cc(ccc1Cl)N TS10907 [0,2,0,0,0,0|2,0,0]=4 2599 B10R1.30 COc1cc(ccc1F)Br TS19895 [0,2,0,0,0,0|2,0,0]=4 2600 B10R1.30 COc1cc(ccc1F)F TS65344 [0,2,0,0,0,0|2,0,0]=4 2601 B10R1.30 COc1cc(ccc1N)Br TS70959 [0,2,0,0,0,0|2,0,0]=4 2602 B10R1.30 COc1cc(ccc1N)F TS93806 [0,2,0,0,0,0|2,0,0]=4 2603 B10R1.30 COc1cc(ccc1N)N TS56779 [0,2,0,0,0,0|2,0,0]=4 2604 B10R1.30 COc1cc(ccc1O)Br TS29434 [0,2,0,0,0,0|1,0,0]=3 2605 B10R1.30 COc1cc(ccc1O)Cl TS11084 [0,2,0,0,0,0|1,0,0]=3 2606 B10R1.30 COc1cc(ccc1O)F TS37549 [0,2,0,0,0,0|1,0,0]=3 2607 B10R1.30 COc1cc(ccc1O)O TS37335 [0,2,0,0,0,0|1,0,0]=3 2608 B10R1.30 Cc1c(cc(cn1)Br)OC TS19314 [0,2,0,0,0,0|2,0,0]=4 2609 B10R1.30 Cc1cc(c(nc1)Cl)C#N TS41210 [0,2,0,0,0,0|2,0,0]=4 2610 B10R1.30 Cc1cc(c(nc1)Cl)C=O TS41555 [0,2,0,0,0,0|2,0,0]=4 2611 B10R1.30 Cc1cc(c(nn1)O)CN TS88743 [0,2,0,0,0,0|2,0,0]=4 2612 B10R1.30 Cc1ccc(c(c1)C#C)C TS36513 [0,2,0,0,0,0|1,0,0]=3 2613 B10R1.30 Cc1ccc(c(c1)C#N)C TS02140 [0,2,0,0,0,0|1,0,0]=3 2614 B10R1.30 Cc1ccc(c(c1)C#N)Cl TS41071 [0,2,0,0,0,0|1,0,0]=3 2615 B10R1.30 Cc1ccc(c(c1)C#N)F TS01008 [0,2,0,0,0,0|1,0,0]=3 2616 B10R1.30 Cc1ccc(c(c1)C#N)N TS47441 [0,2,0,0,0,0|1,0,0]=3 2617 B10R1.30 Cc1ccc(c(c1)C=C)C TS36708 [0,2,0,0,0,0|1,0,0]=3 2618 B10R1.30 Cc1ccc(c(c1)C=O)C TS36833 [0,2,0,0,0,0|1,0,0]=3 2619 B10R1.30 Cc1ccc(c(c1)C=O)C TS93809 [0,2,0,0,0,0|1,0,0]=3 2620 B10R1.30 Cc1ccc(c(c1)C=O)F TS01006 [0,2,0,0,0,0|1,0,0]=3 2621 B10R1.30 Cc1ccc(c(c1)C=O)O TS01052 [0,2,0,0,0,0|0,0,0]=2 2622 B10R1.30 Cc1ccc(c(c1)CBr)C TS18767 [0,2,0,0,0,0|1,0,0]=3 2623 B10R1.30 Cc1ccc(c(c1)CCl)C TS41473 [0,2,0,0,0,0|1,0,0]=3 2624 B10R1.30 Cc1ccc(c(c1)CN)C TS36943 [0,2,0,0,0,0|1,0,0]=3 2625 B10R1.30 Cc1ccc(c(c1)CO)C TS06089 [0,2,0,0,0,0|1,0,0]=3 2626 B10R1.30 Cc1ccc(c(c1)NN)C TS47277 [0,2,0,0,0,0|1,0,0]=3 2627 B10R1.30 Cc1ccc(c(c1)OC)Br TS38050 [0,2,0,0,0,0|1,0,0]=3 2628 B10R1.30 Cc1ccc(c(c1)OC)C TS37019 [0,2,0,0,0,0|1,0,0]=3 2629 B10R1.30 Cc1ccc(c(c1)OC)F TS06454 [0,2,0,0,0,0|1,0,0]=3 2630 B10R1.30 Cc1ccc(c(c1)OC)O TS03117 [0,2,0,0,0,0|0,0,0]=2 2631 B10R1.30 Cc1ccc(c(n1)C#N)Br TS18386 [0,2,0,0,0,0|2,0,0]=4 2632 B10R1.30 Cc1ccc(c(n1)C=O)F TS37267 [0,2,0,0,0,0|2,0,0]=4 2633 B10R1.30 Cc1ccc(c(n1)CO)O TS06364 [0,2,0,0,0,0|1,0,0]=3 2634 B10R1.30 Cc1ccc(c(n1)OC)Br TS19322 [0,2,0,0,0,0|2,0,0]=4 2635 B10R1.30 Cc1ccc(c(n1)OC)F TS06578 [0,2,0,0,0,0|2,0,0]=4 2636 B10R1.30 Cc1ccc(c(n1)OC)N TS37184 [0,2,0,0,0,0|2,0,0]=4 2637 B10R1.30 Cc1ccc(c(n1)OC)N TS85455 [0,2,0,0,0,0|2,0,0]=4 2638 B10R1.30 Cc1ccc(cc1C#N)Br TS09796 [0,2,0,0,0,0|1,0,0]=3 2639 B10R1.30 Cc1ccc(cc1C#N)Cl TS71505 [0,2,0,0,0,0|1,0,0]=3 2640 B10R1.30 Cc1ccc(cc1C#N)F TS65162 [0,2,0,0,0,0|1,0,0]=3 2641 B10R1.30 Cc1ccc(cc1C#N)N TS36681 [0,2,0,0,0,0|1,0,0]=3 2642 B10R1.30 Cc1ccc(cc1C=O)Br TS09794 [0,2,0,0,0,0|1,0,0]=3 2643 B10R1.30 Cc1ccc(cc1C=O)F TS71547 [0,2,0,0,0,0|1,0,0]=3 2644 B10R1.30 Cc1ccc(cc1CBr)F TS07836 [0,2,0,0,0,0|1,0,0]=3 2645 B10R1.30 Cc1ccc(cc1CCl)F TS07837 [0,2,0,0,0,0|1,0,0]=3 2646 B10R1.30 Cc1ccc(cc1CN)F TS37290 [0,2,0,0,0,0|1,0,0]=3 2647 B10R1.30 Cc1ccc(cc1CO)F TS37367 [0,2,0,0,0,0|1,0,0]=3 2648 B10R1.30 Cc1ccc(cc1NN)Br TS56990 [0,2,0,0,0,0|1,0,0]=3 2649 B10R1.30 Cc1ccc(cc1NN)F TS03301 [0,2,0,0,0,0|1,0,0]=3 2650 B10R1.30 Cc1ccc(cc1OC)Cl TS41720 [0,2,0,0,0,0|1,0,0]=3 2651 B10R1.30 Cc1ccc(cc1OC)F TS06455 [0,2,0,0,0,0|1,0,0]=3 2652 B10R1.30 Cc1ccc(cc1OC)N TS59695 [0,2,0,0,0,0|1,0,0]=3 2653 B10R1.30 Cc1ccc(nc1C#N)Cl TS10254 [0,2,0,0,0,0|2,0,0]=4 2654 B10R1.30 c1c(c(cnc1O)F)C=O TS32991 [0,2,0,0,0,0|2,0,0]=4 2655 B10R1.30 c1c(cnc(c1C#N)Cl)O TS90561 [0,2,0,0,0,0|2,0,0]=4 2656 B10R1.30 c1c(cnc(c1C#N)O)Br TS90712 [0,2,0,0,0,0|2,0,0]=4 2657 B10R1.30 c1cc(c(cc1Br)C#N)Cl TS16983 [0,2,0,0,0,0|2,0,0]=4 2658 B10R1.30 c1cc(c(cc1Br)C#N)F TS71421 [0,2,0,0,0,0|2,0,0]=4 2659 B10R1.30 c1cc(c(cc1Br)C#N)I TS39532 [0,2,0,0,0,0|2,0,0]=4 2660 B10R1.30 c1cc(c(cc1Br)C#N)N TS47427 [0,2,0,0,0,0|2,0,0]=4 2661 B10R1.30 c1cc(c(cc1Br)C#N)O TS71431 [0,2,0,0,0,0|1,0,0]=3 2662 B10R1.30 c1cc(c(cc1Br)C=O)Br TS47247 [0,2,0,0,0,0|2,0,0]=4 2663 B10R1.30 c1cc(c(cc1Br)C=O)Cl TS16982 [0,2,0,0,0,0|2,0,0]=4 2664 B10R1.30 c1cc(c(cc1Br)C=O)F TS71419 [0,2,0,0,0,0|2,0,0]=4 2665 B10R1.30 c1cc(c(cc1Br)C=O)I TS09783 [0,2,0,0,0,0|2,0,0]=4 2666 B10R1.30 c1cc(c(cc1Br)C=O)O TS09820 [0,2,0,0,0,0|1,0,0]=3 2667 B10R1.30 c1cc(c(cc1Br)CBr)F TS30472 [0,2,0,0,0,0|2,0,0]=4 2668 B10R1.30 c1cc(c(cc1Br)CN)F TS26595 [0,2,0,0,0,0|2,0,0]=4 2669 B10R1.30 c1cc(c(cc1Br)CO)Cl TS39528 [0,2,0,0,0,0|2,0,0]=4 2670 B10R1.30 c1cc(c(cc1Br)CO)F TS16783 [0,2,0,0,0,0|2,0,0]=4 2671 B10R1.30 c1cc(c(cc1Br)CO)O TS71432 [0,2,0,0,0,0|1,0,0]=3 2672 B10R1.30 c1cc(c(cc1Cl)C#N)Br TS55119 [0,2,0,0,0,0|2,0,0]=4 2673 B10R1.30 c1cc(c(cc1Cl)C#N)Cl TS13098 [0,2,0,0,0,0|2,0,0]=4 2674 B10R1.30 c1cc(c(cc1Cl)C#N)F TS09841 [0,2,0,0,0,0|2,0,0]=4 2675 B10R1.30 c1cc(c(cc1Cl)C#N)N TS41212 [0,2,0,0,0,0|2,0,0]=4 2676 B10R1.30 c1cc(c(cc1Cl)C#N)O TS71492 [0,2,0,0,0,0|1,0,0]=3 2677 B10R1.30 c1cc(c(cc1Cl)C=O)Br TS09831 [0,2,0,0,0,0|2,0,0]=4 2678 B10R1.30 c1cc(c(cc1Cl)C=O)Cl TS47258 [0,2,0,0,0,0|2,0,0]=4 2679 B10R1.30 c1cc(c(cc1Cl)C=O)F TS09839 [0,2,0,0,0,0|2,0,0]=4 2680 B10R1.30 c1cc(c(cc1Cl)C=O)N TS00774 [0,2,0,0,0,0|2,0,0]=4 2681 B10R1.30 c1cc(c(cc1Cl)C=O)O TS10788 [0,2,0,0,0,0|1,0,0]=3 2682 B10R1.30 c1cc(c(cc1Cl)CBr)Cl TS26440 [0,2,0,0,0,0|2,0,0]=4 2683 B10R1.30 c1cc(c(cc1Cl)CBr)F TS09843 [0,2,0,0,0,0|2,0,0]=4 2684 B10R1.30 c1cc(c(cc1Cl)CCl)Cl TS52072 [0,2,0,0,0,0|2,0,0]=4 2685 B10R1.30 c1cc(c(cc1Cl)CN)Cl TS46041 [0,2,0,0,0,0|2,0,0]=4 2686 B10R1.30 c1cc(c(cc1Cl)CN)F TS09842 [0,2,0,0,0,0|2,0,0]=4 2687 B10R1.30 c1cc(c(cc1Cl)CN)N TS41734 [0,2,0,0,0,0|2,0,0]=4 2688 B10R1.30 c1cc(c(cc1Cl)CN)O TS08940 [0,2,0,0,0,0|1,0,0]=3 2689 B10R1.30 c1cc(c(cc1Cl)CO)Cl TS13961 [0,2,0,0,0,0|2,0,0]=4 2690 B10R1.30 c1cc(c(cc1Cl)CO)F TS42239 [0,2,0,0,0,0|2,0,0]=4 2691 B10R1.30 c1cc(c(cc1Cl)CO)O TS11082 [0,2,0,0,0,0|1,0,0]=3 2692 B10R1.30 c1cc(c(cc1Cl)NN)Cl TS21554 [0,2,0,0,0,0|2,0,0]=4 2693 B10R1.30 c1cc(c(cc1Cl)NN)F TS07822 [0,2,0,0,0,0|2,0,0]=4 2694 B10R1.30 c1cc(c(cc1F)C#N)Br TS18923 [0,2,0,0,0,0|2,0,0]=4 2695 B10R1.30 c1cc(c(cc1F)C#N)Cl TS22995 [0,2,0,0,0,0|2,0,0]=4 2696 B10R1.30 c1cc(c(cc1F)C#N)F TS00677 [0,2,0,0,0,0|2,0,0]=4 2697 B10R1.30 c1cc(c(cc1F)C#N)I TS62379 [0,2,0,0,0,0|2,0,0]=4 2698 B10R1.30 c1cc(c(cc1F)C#N)N TS00787 [0,2,0,0,0,0|2,0,0]=4 2699 B10R1.30 c1cc(c(cc1F)C=O)Br TS08340 [0,2,0,0,0,0|2,0,0]=4 2700 B10R1.30 c1cc(c(cc1F)C=O)Cl TS55244 [0,2,0,0,0,0|2,0,0]=4 2701 B10R1.30 c1cc(c(cc1F)C=O)F TS00673 [0,2,0,0,0,0|2,0,0]=4 2702 B10R1.30 c1cc(c(cc1F)C=O)I TS01072 [0,2,0,0,0,0|2,0,0]=4 2703 B10R1.30 c1cc(c(cc1F)C=O)O TS71536 [0,2,0,0,0,0|1,0,0]=3 2704 B10R1.30 c1cc(c(cc1F)CBr)Br TS65380 [0,2,0,0,0,0|2,0,0]=4 2705 B10R1.30 c1cc(c(cc1F)CBr)Cl TS50367 [0,2,0,0,0,0|2,0,0]=4 2706 B10R1.30 c1cc(c(cc1F)CCl)Br TS65381 [0,2,0,0,0,0|2,0,0]=4 2707 B10R1.30 c1cc(c(cc1F)CN)Br TS65382 [0,2,0,0,0,0|2,0,0]=4 2708 B10R1.30 c1cc(c(cc1F)CN)Cl TS09283 [0,2,0,0,0,0|2,0,0]=4 2709 B10R1.30 c1cc(c(cc1F)CN)F TS65347 [0,2,0,0,0,0|2,0,0]=4 2710 B10R1.30 c1cc(c(cc1F)CN)N TS37378 [0,2,0,0,0,0|2,0,0]=4 2711 B10R1.30 c1cc(c(cc1F)CO)Br TS65410 [0,2,0,0,0,0|2,0,0]=4 2712 B10R1.30 c1cc(c(cc1F)CO)Cl TS60277 [0,2,0,0,0,0|2,0,0]=4 2713 B10R1.30 c1cc(c(cc1F)CO)F TS65346 [0,2,0,0,0,0|2,0,0]=4 2714 B10R1.30 c1cc(c(cc1F)CO)N TS06576 [0,2,0,0,0,0|2,0,0]=4 2715 B10R1.30 c1cc(c(cc1F)C[Zn+])F TS33416 [0,2,0,0,0,0|2,0,0]=4 2716 B10R1.30 c1cc(c(cc1I)C#N)F TS01002 [0,2,0,0,0,0|2,0,0]=4 2717 B10R1.30 c1cc(c(cc1I)C=O)F TS62782 [0,2,0,0,0,0|2,0,0]=4 2718 B10R1.30 c1cc(c(cc1I)C=O)O TS01049 [0,2,0,0,0,0|1,0,0]=3 2719 B10R1.30 c1cc(c(cc1N)C#N)Br TS71353 [0,2,0,0,0,0|2,0,0]=4 2720 B10R1.30 c1cc(c(cc1N)C#N)Cl TS41208 [0,2,0,0,0,0|2,0,0]=4 2721 B10R1.30 c1cc(c(cc1N)C#N)F TS71360 [0,2,0,0,0,0|2,0,0]=4 2722 B10R1.30 c1cc(c(cc1N)C#N)N TS36766 [0,2,0,0,0,0|2,0,0]=4 2723 B10R1.30 c1cc(c(cc1N)C#N)O TS36814 [0,2,0,0,0,0|1,0,0]=3 2724 B10R1.30 c1cc(c(cc1N)CN)F TS37377 [0,2,0,0,0,0|2,0,0]=4 2725 B10R1.30 c1cc(c(cc1N)CN)O TS43947 [0,2,0,0,0,0|1,0,0]=3 2726 B10R1.30 c1cc(c(cc1O)C#N)F TS39661 [0,2,0,0,0,0|1,0,0]=3 2727 B10R1.30 c1cc(c(cc1O)C=O)Br TS08344 [0,2,0,0,0,0|1,0,0]=3 2728 B10R1.30 c1cc(c(cc1O)C=O)F TS00999 [0,2,0,0,0,0|1,0,0]=3 2729 B10R1.30 c1cc(c(cc1O)C=O)O TS47262 [0,2,0,0,0,0|1,0,0]=3 2730 B10R1.118 C1=C(C(=O)C=C(C1=O)Br)Br TS73446 [0,2,0,0,0,0|1,0,1]=4 2731 B10R1.118 C1=C(C(=O)C=C(C1=O)Cl)Cl TS13950 [0,2,0,0,0,0|1,0,1]=4 2732 B10R1.118 CC1=CC(=O)C(=CC1=O)Br TS19139 [0,2,0,0,0,0|1,0,0]=3 2733 B10R1.118 CC1=CC(=O)C(=CC1=O)C TS36987 [0,2,0,0,0,0|1,0,0]=3 2734 B10R1.118 CC1=CC(=O)C(=CC1=O)Cl TS10786 [0,2,0,0,0,0|1,0,0]=3 2735 B10R1.118 Cc1c(cc(c(n1)C)Br)Br TS47318 [0,2,0,0,0,0|2,0,0]=4 2736 B10R1.118 Cc1c(cc(c(n1)F)Br)Br TS85500 [0,2,0,0,0,0|2,0,0]=4 2737 B10R1.118 Cc1c(cc(c(n1)N)Br)Br TS47357 [0,2,0,0,0,0|2,0,0]=4 2738 B10R1.118 Cc1c(cc(c(n1)N)Cl)Cl TS13971 [0,2,0,0,0,0|2,0,0]=4 2739 B10R1.118 Cc1c(cc(c(n1)N)N)Br TS38196 [0,2,0,0,0,0|2,0,0]=4 2740 B10R1.118 Cc1c(cc(c(n1)O)Br)Br TS30358 [0,2,0,0,0,0|2,0,0]=4 2741 B10R1.118 Cc1cc(c(cc1Br)Br)Br TS63566 [0,2,0,0,0,0|1,0,0]=3 2742 B10R1.118 Cc1cc(c(cc1Br)C)Br TS29981 [0,2,0,0,0,0|1,0,0]=3 2743 B10R1.118 Cc1cc(c(cc1Br)C)Cl TS49664 [0,2,0,0,0,0|1,0,0]=3 2744 B10R1.118 Cc1cc(c(cc1Br)C)N TS37846 [0,2,0,0,0,0|1,0,0]=3 2745 B10R1.118 Cc1cc(c(cc1Br)C)O TS38038 [0,2,0,0,0,0|1,0,0]=3 2746 B10R1.118 Cc1cc(c(cc1Br)F)Br TS30469 [0,2,0,0,0,0|1,0,0]=3 2747 B10R1.118 Cc1cc(c(cc1Br)F)F TS65109 [0,2,0,0,0,0|1,0,0]=3 2748 B10R1.118 Cc1cc(c(cc1Br)F)N TS60047 [0,2,0,0,0,0|1,0,0]=3 2749 B10R1.118 Cc1cc(c(cc1C)Br)Br TS02895 [0,2,0,0,0,0|1,0,0]=3 2750 B10R1.118 Cc1cc(c(cc1C)C)C TS36865 [0,2,0,0,0,0|1,0,0]=3 2751 B10R1.118 Cc1cc(c(cc1C)Cl)O TS41714 [0,2,0,0,0,0|0,0,0]=2 2752 B10R1.118 Cc1cc(c(cc1C)I)I TS66272 [0,2,0,0,0,0|1,0,0]=3 2753 B10R1.118 Cc1cc(c(cc1C)I)N TS27560 [0,2,0,0,0,0|1,0,0]=3 2754 B10R1.118 Cc1cc(c(cc1C)I)O TS62516 [0,2,0,0,0,0|0,0,0]=2 2755 B10R1.118 Cc1cc(c(cc1C)N)C TS06007 [0,2,0,0,0,0|1,0,0]=3 2756 B10R1.118 Cc1cc(c(cc1C)N)N TS65268 [0,2,0,0,0,0|1,0,0]=3 2757 B10R1.118 Cc1cc(c(cc1C)O)C TS06097 [0,2,0,0,0,0|0,0,0]=2 2758 B10R1.118 Cc1cc(c(cc1C)S)C TS41198 [0,2,0,0,0,0|0,1,0]=3 2759 B10R1.118 Cc1cc(c(cc1Cl)C)Cl TS02133 [0,2,0,0,0,0|1,0,0]=3 2760 B10R1.118 Cc1cc(c(cc1Cl)C)N TS41557 [0,2,0,0,0,0|1,0,0]=3 2761 B10R1.118 Cc1cc(c(cc1Cl)C)S TS13279 [0,2,0,0,0,0|1,0,0]=3 2762 B10R1.118 Cc1cc(c(cc1Cl)Cl)Cl TS52074 [0,2,0,0,0,0|1,0,0]=3 2763 B10R1.118 Cc1cc(c(cc1Cl)N)Br TS23184 [0,2,0,0,0,0|1,0,0]=3 2764 B10R1.118 Cc1cc(c(cc1Cl)N)N TS39217 [0,2,0,0,0,0|1,0,0]=3 2765 B10R1.118 Cc1cc(c(cc1Cl)N)O TS10910 [0,2,0,0,0,0|1,0,0]=3 2766 B10R1.118 Cc1cc(c(cc1F)Br)Br TS30470 [0,2,0,0,0,0|1,0,0]=3 2767 B10R1.118 Cc1cc(c(cc1F)Br)Cl TS08997 [0,2,0,0,0,0|1,0,0]=3 2768 B10R1.118 Cc1cc(c(cc1F)Br)I TS00006 [0,2,0,0,0,0|1,0,0]=3 2769 B10R1.118 Cc1cc(c(cc1F)Cl)Br TS50365 [0,2,0,0,0,0|1,0,0]=3 2770 B10R1.118 Cc1cc(c(cc1F)Cl)I TS30873 [0,2,0,0,0,0|1,0,0]=3 2771 B10R1.118 Cc1cc(c(cc1F)Cl)N TS11184 [0,2,0,0,0,0|1,0,0]=3 2772 B10R1.118 Cc1cc(c(cc1F)I)Br TS76744 [0,2,0,0,0,0|1,0,0]=3 2773 B10R1.118 Cc1cc(c(cc1F)N)Br TS65378 [0,2,0,0,0,0|1,0,0]=3 2774 B10R1.118 Cc1cc(c(cc1I)C)I TS66273 [0,2,0,0,0,0|1,0,0]=3 2775 B10R1.118 Cc1cc(c(cc1I)C)N TS27556 [0,2,0,0,0,0|1,0,0]=3 2776 B10R1.118 Cc1cc(c(cc1I)C)O TS62514 [0,2,0,0,0,0|1,0,0]=3 2777 B10R1.118 Cc1cc(c(cc1N)Br)F TS07818 [0,2,0,0,0,0|1,0,0]=3 2778 B10R1.118 Cc1cc(c(cc1N)C)N TS37047 [0,2,0,0,0,0|1,0,0]=3 2779 B10R1.118 Cc1cc(c(cc1N)Cl)N TS41731 [0,2,0,0,0,0|1,0,0]=3 2780 B10R1.118 Cc1cc(c(cc1N)F)Br TS16771 [0,2,0,0,0,0|1,0,0]=3 2781 B10R1.118 Cc1cc(c(cc1N)N)C TS37028 [0,2,0,0,0,0|1,0,0]=3 2782 B10R1.118 Cc1cc(c(cc1O)C)N TS70865 [0,2,0,0,0,0|1,0,0]=3 2783 B10R1.118 Cc1cc(c(cc1O)F)F TS39455 [0,2,0,0,0,0|1,0,0]=3 2784 B10R1.118 Cc1cc(c(cc1O)N)Cl TS10914 [0,2,0,0,0,0|1,0,0]=3 2785 B10R1.118 Cc1cc(c(cc1O)N)F TS39521 [0,2,0,0,0,0|1,0,0]=3 2786 B10R1.118 Cc1cc(c(nc1Br)Br)Br TS00656 [0,2,0,0,0,0|2,0,0]=4 2787 B10R1.118 c1c(c(cc(c1Br)Br)Br)Br TS16832 [0,2,0,0,0,0|2,0,0]=4 2788 B10R1.118 c1c(c(cc(c1Br)Br)F)F TS65270 [0,2,0,0,0,0|2,0,0]=4 2789 B10R1.118 c1c(c(cc(c1Br)Cl)Cl)F TS27075 [0,2,0,0,0,0|2,0,0]=4 2790 B10R1.118 c1c(c(cc(c1Br)F)Br)F TS65284 [0,2,0,0,0,0|2,0,0]=4 2791 B10R1.118 c1c(c(cc(c1Br)F)Cl)O TS16980 [0,2,0,0,0,0|1,0,0]=3 2792 B10R1.118 c1c(c(cc(c1Br)F)F)N TS16782 [0,2,0,0,0,0|2,0,0]=4 2793 B10R1.118 c1c(c(cc(c1Br)F)I)F TS77023 [0,2,0,0,0,0|2,0,0]=4 2794 B10R1.118 c1c(c(cc(c1Br)O)Br)O TS30468 [0,2,0,0,0,0|1,0,0]=3 2795 B10R1.118 c1c(c(cc(c1Cl)Br)Cl)Cl TS29576 [0,2,0,0,0,0|2,0,0]=4 2796 B10R1.118 c1c(c(cc(c1Cl)Br)Cl)N TS16758 [0,2,0,0,0,0|2,0,0]=4 2797 B10R1.118 c1c(c(cc(c1Cl)Br)Cl)O TS57629 [0,2,0,0,0,0|1,0,0]=3 2798 B10R1.118 c1c(c(cc(c1Cl)Br)F)F TS24411 [0,2,0,0,0,0|2,0,0]=4 2799 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)Cl TS21962 [0,2,0,0,0,0|2,0,0]=4 2800 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)N TS00576 [0,2,0,0,0,0|2,0,0]=4 2801 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)O TS00577 [0,2,0,0,0,0|1,0,0]=3 2802 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)O TS22663 [0,2,0,0,0,0|1,0,0]=3 2803 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)S TS21559 [0,2,0,0,0,0|1,1,0]=4 2804 B10R1.118 c1c(c(cc(c1Cl)Cl)N)N TS13969 [0,2,0,0,0,0|2,0,0]=4 2805 B10R1.118 c1c(c(cc(c1Cl)F)F)N TS42649 [0,2,0,0,0,0|2,0,0]=4 2806 B10R1.118 c1c(c(cc(c1Cl)N)Cl)N TS13965 [0,2,0,0,0,0|2,0,0]=4 2807 B10R1.118 c1c(c(cc(c1Cl)O)Cl)N TS59925 [0,2,0,0,0,0|1,0,0]=3 2808 B10R1.118 c1c(c(cc(c1Cl)O)Cl)O TS47650 [0,2,0,0,0,0|1,0,0]=3 2809 B10R1.118 c1c(c(cc(c1F)Br)F)F TS65326 [0,2,0,0,0,0|2,0,0]=4 2810 B10R1.118 c1c(c(cc(c1F)Br)F)N TS70951 [0,2,0,0,0,0|2,0,0]=4 2811 B10R1.118 c1c(c(cc(c1F)Br)F)O TS43580 [0,2,0,0,0,0|1,0,0]=3 2812 B10R1.118 c1c(c(cc(c1F)Cl)Cl)N TS47818 [0,2,0,0,0,0|2,0,0]=4 2813 B10R1.118 c1c(c(cc(c1F)Cl)N)N TS65269 [0,2,0,0,0,0|2,0,0]=4 2814 B10R1.118 c1c(c(cc(c1F)F)Br)N TS20478 [0,2,0,0,0,0|2,0,0]=4 2815 B10R1.118 c1c(c(cc(c1F)F)Br)O TS59950 [0,2,0,0,0,0|1,0,0]=3 2816 B10R1.118 c1c(c(cc(c1F)F)F)F TS07628 [0,2,0,0,0,0|2,0,0]=4 2817 B10R1.118 c1c(c(cc(c1F)F)F)N TS65322 [0,2,0,0,0,0|2,0,0]=4 2818 B10R1.118 c1c(c(cc(c1F)F)F)O TS40588 [0,2,0,0,0,0|1,0,0]=3 2819 B10R1.118 c1c(c(cc(c1F)F)N)N TS02907 [0,2,0,0,0,0|2,0,0]=4 2820 B10R1.118 c1c(c(cc(c1F)F)O)N TS00734 [0,2,0,0,0,0|1,0,0]=3 2821 B10R1.118 c1c(c(cc(c1F)O)F)N TS40276 [0,2,0,0,0,0|1,0,0]=3 2822 B10R1.118 c1c(c(cc(c1I)Br)I)Br TS72515 [0,2,0,0,0,0|2,0,0]=4 2823 B10R1.118 c1c(c(cc(c1I)I)I)I TS73388 [0,2,0,0,0,0|2,0,0]=4 2824 B10R1.118 c1c(c(cc(c1N)I)I)N TS66355 [0,2,0,0,0,0|2,0,0]=4 2825 B10R1.118 c1c(c(cc(c1N)N)N)N TS34694 [0,2,0,0,0,0|2,0,0]=4 2826 B10R1.118 c1c(c(cc(c1N)O)O)N TS37349 [0,2,0,0,0,0|1,0,0]=3 2827 B10R1.118 c1c(c(cc(c1O)Cl)Cl)N TS16360 [0,2,0,0,0,0|1,0,0]=3 2828 B10R1.118 c1c(c(cc(c1O)Cl)Cl)N TS44593 [0,2,0,0,0,0|1,0,0]=3 2829 B10R1.118 c1c(c(cc(c1O)Cl)Cl)O TS33145 [0,2,0,0,0,0|1,0,0]=3 2830 B10R1.118 c1c(c(cc(c1O)Cl)F)N TS39520 [0,2,0,0,0,0|1,0,0]=3 2831 B10R1.118 c1c(c(cc(c1O)N)O)N TS21439 [0,2,0,0,0,0|1,0,0]=3 2832 B10R1.118 c1c(c(cc(c1S)N)S)N TS27285 [0,2,0,0,0,0|1,1,0]=4 2833 B10R1.118 c1c(c(nc(c1Cl)Cl)O)Cl TS65771 [0,2,0,0,0,0|2,0,0]=4 2834 B10R1.118 c1c(c(nc(c1F)F)O)F TS07534 [0,2,0,0,0,0|2,0,0]=4 2835 B10R1.119 Cc1c(c(=O)ccn1C)O TS06373 [0,2,0,0,0,0|1,0,1]=4 2836 B10R1.119 Cc1c(c(c(cn1)Br)N)Br TS73453 [0,2,0,0,0,0|2,0,0]=4 2837 B10R1.119 Cc1c(c(ccc1F)Br)C TS19504 [0,2,0,0,0,0|2,0,0]=4 2838 B10R1.119 Cc1c(c(ccc1F)F)C TS46806 [0,2,0,0,0,0|2,0,0]=4 2839 B10R1.119 Cc1c(c(ccc1N)F)C TS37296 [0,2,0,0,0,0|2,0,0]=4 2840 B10R1.119 Cc1c(c(ccc1N)O)C TS37123 [0,2,0,0,0,0|1,0,0]=3 2841 B10R1.119 Cc1c(c(ccc1O)Br)C TS38044 [0,2,0,0,0,0|1,0,0]=3 2842 B10R1.119 Cc1c(c(ccc1O)F)C TS06458 [0,2,0,0,0,0|1,0,0]=3 2843 B10R1.119 Cc1c(c(ccc1O)I)C TS62513 [0,2,0,0,0,0|1,0,0]=3 2844 B10R1.119 Cc1c(c(ccc1O)O)C TS47167 [0,2,0,0,0,0|1,0,0]=3 2845 B10R1.119 Cc1c(ccc(c1Cl)Br)N TS23185 [0,2,0,0,0,0|2,0,0]=4 2846 B10R1.119 Cc1c(ccc(c1Cl)Cl)Cl TS52071 [0,2,0,0,0,0|2,0,0]=4 2847 B10R1.119 Cc1c(ccc(c1Cl)N)Cl TS09224 [0,2,0,0,0,0|2,0,0]=4 2848 B10R1.119 Cc1c(ccc(c1F)Br)F TS39121 [0,2,0,0,0,0|2,0,0]=4 2849 B10R1.119 Cc1c(ccc(c1F)F)Br TS39120 [0,2,0,0,0,0|2,0,0]=4 2850 B10R1.119 Cc1c(ccc(c1N)N)F TS16833 [0,2,0,0,0,0|2,0,0]=4 2851 B10R1.119 Cc1c(cnc(c1Br)O)Br TS30357 [0,2,0,0,0,0|2,0,0]=4 2852 B10R1.119 Cc1ccc(c(c1C)C)C TS59878 [0,2,0,0,0,0|1,0,0]=3 2853 B10R1.119 Cc1ccc(c(c1C)F)C TS06284 [0,2,0,0,0,0|1,0,0]=3 2854 B10R1.119 Cc1ccc(c(c1C)N)N TS37042 [0,2,0,0,0,0|1,0,0]=3 2855 B10R1.119 Cc1ccc(c(c1C)O)C TS06083 [0,2,0,0,0,0|1,0,0]=3 2856 B10R1.119 Cc1ccc(c(c1Cl)Br)Cl TS26441 [0,2,0,0,0,0|1,0,0]=3 2857 B10R1.119 Cc1ccc(c(c1Cl)Cl)Cl TS52069 [0,2,0,0,0,0|1,0,0]=3 2858 B10R1.119 Cc1ccc(c(c1Cl)N)Cl TS47288 [0,2,0,0,0,0|1,0,0]=3 2859 B10R1.119 Cc1ccc(c(c1Cl)O)F TS42238 [0,2,0,0,0,0|1,0,0]=3 2860 B10R1.119 Cc1ccc(c(c1F)C)Br TS19503 [0,2,0,0,0,0|1,0,0]=3 2861 B10R1.119 Cc1ccc(c(c1F)F)F TS60224 [0,2,0,0,0,0|1,0,0]=3 2862 B10R1.119 Cc1ccc(c(c1F)F)O TS06918 [0,2,0,0,0,0|0,0,0]=2 2863 B10R1.119 Cc1ccc(c(c1F)O)Cl TS42236 [0,2,0,0,0,0|1,0,0]=3 2864 B10R1.119 Cc1ccc(c(c1F)O)F TS06919 [0,2,0,0,0,0|1,0,0]=3 2865 B10R1.119 Cc1ccc(c(c1I)C)I TS66274 [0,2,0,0,0,0|1,0,0]=3 2866 B10R1.119 Cc1ccc(c(c1N)C)Cl TS10627 [0,2,0,0,0,0|1,0,0]=3 2867 B10R1.119 Cc1ccc(c(c1O)C)O TS06266 [0,2,0,0,0,0|0,0,0]=2 2868 B10R1.119 Cc1ccc(c(c1O)Cl)N TS16778 [0,2,0,0,0,0|1,0,0]=3 2869 B10R1.119 c1cc(c(c(c1Br)F)F)Br TS65283 [0,2,0,0,0,0|2,0,0]=4 2870 B10R1.119 c1cc(c(c(c1Cl)Cl)Cl)Cl TS21963 [0,2,0,0,0,0|2,0,0]=4 2871 B10R1.119 c1cc(c(c(c1Cl)N)Cl)Br TS87194 [0,2,0,0,0,0|2,0,0]=4 2872 B10R1.119 c1cc(c(c(c1Cl)O)Cl)Cl TS18505 [0,2,0,0,0,0|2,0,0]=4 2873 B10R1.119 c1cc(c(c(c1F)Cl)F)Cl TS46798 [0,2,0,0,0,0|2,0,0]=4 2874 B10R1.119 c1cc(c(c(c1F)F)Br)F TS02325 [0,2,0,0,0,0|2,0,0]=4 2875 B10R1.119 c1cc(c(c(c1F)F)F)Br TS60223 [0,2,0,0,0,0|2,0,0]=4 2876 B10R1.119 c1cc(c(c(c1F)F)F)Cl TS43156 [0,2,0,0,0,0|2,0,0]=4 2877 B10R1.119 c1cc(c(c(c1F)F)F)F TS16831 [0,2,0,0,0,0|2,0,0]=4 2878 B10R1.119 c1cc(c(c(c1F)N)F)F TS65312 [0,2,0,0,0,0|2,0,0]=4 2879 B10R1.119 c1cc(c(c(c1F)O)Cl)F TS65396 [0,2,0,0,0,0|2,0,0]=4 2880 B10R1.119 c1cc(c(c(c1F)O)F)Cl TS42824 [0,2,0,0,0,0|2,0,0]=4 2881 B10R1.119 c1cc(c(c(c1F)O)F)F TS40587 [0,2,0,0,0,0|2,0,0]=4 2882 B10R1.119 c1cc(c(c(c1N)Cl)Cl)Br TS57482 [0,2,0,0,0,0|2,0,0]=4 2883 B10R1.119 c1cc(c(c(c1N)Cl)Cl)Cl TS18347 [0,2,0,0,0,0|2,0,0]=4 2884 B10R1.119 c1cc(c(c(c1N)Cl)Cl)F TS47817 [0,2,0,0,0,0|2,0,0]=4 2885 B10R1.119 c1cc(c(c(c1N)F)Cl)Br TS60392 [0,2,0,0,0,0|2,0,0]=4 2886 B10R1.119 c1cc(c(c(c1N)F)Cl)Cl TS65446 [0,2,0,0,0,0|2,0,0]=4 2887 B10R1.119 c1cc(c(c(c1N)F)Cl)F TS09342 [0,2,0,0,0,0|2,0,0]=4 2888 B10R1.119 c1cc(c(c(c1N)F)Cl)O TS08675 [0,2,0,0,0,0|1,0,0]=3 2889 B10R1.119 c1cc(c(c(c1N)F)F)Br TS00001 [0,2,0,0,0,0|2,0,0]=4 2890 B10R1.119 c1cc(c(c(c1N)F)F)F TS40491 [0,2,0,0,0,0|2,0,0]=4 2891 B10R1.119 c1cc(c(c(c1N)F)F)O TS08674 [0,2,0,0,0,0|1,0,0]=3 2892 B10R1.119 c1cc(c(c(c1N)N)F)F TS06922 [0,2,0,0,0,0|2,0,0]=4 2893 B10R1.119 c1cc(c(c(c1O)Cl)Cl)Cl TS47132 [0,2,0,0,0,0|1,0,0]=3 2894 B10R1.119 c1cc(c(c(c1O)Cl)N)Cl TS65068 [0,2,0,0,0,0|1,0,0]=3 2895 B10R1.119 c1cc(c(c(c1O)F)F)Br TS00002 [0,2,0,0,0,0|1,0,0]=3 2896 B10R1.119 c1cc(c(c(c1O)F)F)F TS65299 [0,2,0,0,0,0|1,0,0]=3 2897 B10R1.119 c1cc(c(c(c1O)F)F)I TS67794 [0,2,0,0,0,0|1,0,0]=3 2898 B10R1.119 c1cc(c(c(c1O)F)F)O TS40362 [0,2,0,0,0,0|1,0,0]=3 2899 B8R1.22 c1cccc(=O)cc1 TS04084 [0,0,1,1,0,0|0,0,2]=4 2900 B8R2.25 c1ccc2c(c1)C2 TS71846 [1,0,0,1,0,0|0,0,0]=2 2901 B8R2.34 C1C2C=CC1C=C2 TS58948 [1,0,0,1,0,0|0,0,2]=4 2902 B8R2.34 C1C2C=CC1C=C2 TS71860 [1,0,0,1,0,0|0,0,2]=4 2903 B6R0.2 CC(=CC(=C)C)C TS03733 [0,0,1,0,1,0|1,0,1]=4 2904 B6R0.2 CC(=CC(=O)O)C TS03839 [0,0,1,0,1,0|1,0,1]=4 2905 B6R1.2 C1=CC(C=C1)[Hf+3] TS64701 [1,0,0,0,1,0|1,0,1]=4 2906 B6R1.2 C1=CC(C=C1)[Nb+4] TS74559 [1,0,0,0,1,0|1,0,1]=4 2907 B6R1.2 C1=CC(C=C1)[Ti+3] TS22641 [1,0,0,0,1,0|1,0,1]=4 2908 B6R1.2 C1=CC(C=C1)[Zr+3] TS29852 [1,0,0,0,1,0|1,0,1]=4 2909 B6R1.2 Cc1[nH]ccn1 TS59974 [1,0,0,0,1,0|2,0,0]=4 2910 B6R1.2 Cc1c[nH]cn1 TS03464 [1,0,0,0,1,0|2,0,0]=4 2911 B6R1.2 Cc1c[nH]nc1 TS04770 [1,0,0,0,1,0|2,0,0]=4 2912 B6R1.2 Cc1c[nH]nc1 TS71226 [1,0,0,0,1,0|2,0,0]=4 2913 B6R1.2 Cc1cc[nH]c1 TS70679 [1,0,0,0,1,0|1,0,0]=3 2914 B6R1.2 Cc1cc[nH]n1 TS70653 [1,0,0,0,1,0|2,0,0]=4 2915 B6R1.2 Cc1ccco1 TS03463 [1,0,0,0,1,0|1,0,0]=3 2916 B6R1.2 Cc1cccs1 TS65607 [1,0,0,0,1,0|1,0,0]=3 2917 B6R1.2 Cc1ccno1 TS71696 [1,0,0,0,1,0|2,0,0]=4 2918 B6R1.2 Cc1ccoc1 TS02846 [1,0,0,0,1,0|1,0,0]=3 2919 B6R1.2 Cc1ccsc1 TS70682 [1,0,0,0,1,0|1,0,0]=3 2920 B6R1.2 Cc1ccsn1 TS39717 [1,0,0,0,1,0|2,0,0]=4 2921 B6R1.2 Cc1cncs1 TS33187 [1,0,0,0,1,0|2,0,0]=4 2922 B6R1.2 Cc1cscn1 TS71246 [1,0,0,0,1,0|2,0,0]=4 2923 B6R1.2 Cn1cccc1 TS03445 [1,0,0,0,1,0|1,0,0]=3 2924 B6R1.2 Cn1cccn1 TS47002 [1,0,0,0,1,0|2,0,0]=4 2925 B6R1.2 Cn1ccnc1 TS00490 [1,0,0,0,1,0|2,0,0]=4 2926 B6R1.2 c1c[nH]cc1Br TS40352 [1,0,0,0,1,0|2,0,0]=4 2927 B6R1.2 c1cc(oc1)Br TS55169 [1,0,0,0,1,0|2,0,0]=4 2928 B6R1.2 c1cc(sc1)Br TS55181 [1,0,0,0,1,0|2,0,0]=4 2929 B6R1.2 c1cc(sc1)Cl TS04771 [1,0,0,0,1,0|2,0,0]=4 2930 B6R1.2 c1cc(sc1)F TS01041 [1,0,0,0,1,0|2,0,0]=4 2931 B6R1.2 c1cc(sc1)I TS07727 [1,0,0,0,1,0|2,0,0]=4 2932 B6R1.2 c1cc(sc1)S TS39686 [1,0,0,0,1,0|1,1,0]=4 2933 B6R1.2 c1cc(sc1)[Zn+] TS24604 [1,0,0,0,1,0|2,0,0]=4 2934 B6R1.2 c1ccn(c1)N TS00391 [1,0,0,0,1,0|2,0,0]=4 2935 B6R1.2 c1ccn(c1)N TS84904 [1,0,0,0,1,0|2,0,0]=4 2936 B6R1.2 c1cocc1Br TS65944 [1,0,0,0,1,0|2,0,0]=4 2937 B6R1.2 c1cscc1Br TS09501 [1,0,0,0,1,0|2,0,0]=4 2938 B6R1.2 c1cscc1Cl TS04772 [1,0,0,0,1,0|2,0,0]=4 2939 B6R1.2 c1cscc1I TS70636 [1,0,0,0,1,0|2,0,0]=4 2940 B6R1.2 c1cscc1N TS02675 [1,0,0,0,1,0|2,0,0]=4 2941 B6R1.2 c1cscc1N TS88823 [1,0,0,0,1,0|2,0,0]=4 2942 B6R1.2 c1cscc1S TS60165 [1,0,0,0,1,0|1,1,0]=4 2943 B8R0.28 CC(=C)CC=CC(=C)C TS32532 [0,0,1,0,0,1|1,0,0]=3 2944 B8R0.28 CC(=O)CC=CC(=O)O TS36269 [0,0,1,0,0,1|2,0,0]=4