0 B7R1.3 B=N1=CC=CC=C1 TS71871 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 C1CC=CC(=O)C1 TS39840 [0,0,0,0,0,0|0,1,3]=4 2 B7R1.3 C1COC(=O)C=C1 TS03767 [0,0,0,0,0,0|1,1,2]=4 3 B7R1.3 C1NC(=CC=N1)N TS31399 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.3 CC1CC=CC=C1 TS03676 [0,0,0,0,0,0|1,0,2]=3 5 B7R1.3 C[n+]1ccccc1 TS05508 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.3 C[n+]1ccccc1 TS45717 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 Cc1ccccc1 TS71861 [0,0,0,0,0,0|1,0,0]=1 8 B7R1.3 Cc1ccccn1 TS71881 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.3 Cc1ccccn1 TS93768 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.3 Cc1cccnc1 TS39719 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.3 Cc1cccnn1 TS70675 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.3 Cc1ccncc1 TS02242 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.3 Cc1ccncn1 TS71236 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.3 Cc1ccnnc1 TS03181 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.3 Cc1cnccn1 TS02445 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.3 Cc1cncnc1 TS01164 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.3 Cc1ncccn1 TS59978 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.3 [Li]c1ccccc1 TS03475 [0,0,0,0,0,0|1,0,0]=1 19 B7R1.3 c1c(cncn1)Br TS09816 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.3 c1c(cncn1)Cl TS71524 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.3 c1c(cncn1)F TS71551 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.3 c1c(cncn1)N TS71385 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.3 c1c(cncn1)O TS03344 [0,0,0,0,0,0|2,1,0]=3 24 B7R1.3 c1cc(cnc1)Br TS09497 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.3 c1cc(cnc1)Cl TS66010 [0,0,0,0,0,0|2,0,0]=2 26 B7R1.3 c1cc(cnc1)F TS02768 [0,0,0,0,0,0|2,0,0]=2 27 B7R1.3 c1cc(cnc1)I TS70634 [0,0,0,0,0,0|2,0,0]=2 28 B7R1.3 c1cc(cnc1)N TS02672 [0,0,0,0,0,0|2,0,0]=2 29 B7R1.3 c1cc(cnc1)O TS32269 [0,0,0,0,0,0|1,1,0]=2 30 B7R1.3 c1cc(nnc1)Cl TS66009 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.3 c1cc(nnc1)Cl TS91704 [0,0,0,0,0,0|3,0,0]=3 32 B7R1.3 c1cc(nnc1)N TS02670 [0,0,0,0,0,0|3,0,0]=3 33 B7R1.3 c1cc(nnc1)N TS02671 [0,0,0,0,0,0|3,0,0]=3 34 B7R1.3 c1cc(nnc1)O TS91073 [0,0,0,0,0,0|2,1,0]=3 35 B7R1.3 c1cc[n+](cc1)F TS15405 [0,0,0,0,0,0|2,0,0]=2 36 B7R1.3 c1cc[n+](cc1)N TS50044 [0,0,0,0,0,0|2,0,0]=2 37 B7R1.3 c1ccc(cc1)Br TS33230 [0,0,0,0,0,0|1,0,0]=1 38 B7R1.3 c1ccc(cc1)Cl TS39829 [0,0,0,0,0,0|1,0,0]=1 39 B7R1.3 c1ccc(cc1)F TS03718 [0,0,0,0,0,0|1,0,0]=1 40 B7R1.3 c1ccc(cc1)I TS01502 [0,0,0,0,0,0|1,0,0]=1 41 B7R1.3 c1ccc(cc1)I TS09193 [0,0,0,0,0,0|1,0,0]=1 42 B7R1.3 c1ccc(cc1)N TS05506 [0,0,0,0,0,0|1,0,0]=1 43 B7R1.3 c1ccc(cc1)N TS17238 [0,0,0,0,0,0|1,0,0]=1 44 B7R1.3 c1ccc(cc1)N TS31115 [0,0,0,0,0,0|1,0,0]=1 45 B7R1.3 c1ccc(cc1)N TS45718 [0,0,0,0,0,0|1,0,0]=1 46 B7R1.3 c1ccc(cc1)N TS50550 [0,0,0,0,0,0|1,0,0]=1 47 B7R1.3 c1ccc(cc1)N TS71877 [0,0,0,0,0,0|1,0,0]=1 48 B7R1.3 c1ccc(cc1)O TS03667 [0,0,0,0,0,0|0,1,0]=1 49 B7R1.3 c1ccc(cc1)P TS04186 [0,0,0,0,0,0|1,0,0]=1 50 B7R1.3 c1ccc(cc1)S TS04213 [0,0,0,0,0,0|0,0,0]=0 51 B7R1.3 c1ccc(cc1)[AsH2] TS10367 [0,0,0,0,0,0|1,0,0]=1 52 B7R1.3 c1ccc(cc1)[O-] TS31486 [0,0,0,0,0,0|0,1,0]=1 53 B7R1.3 c1ccc(cc1)[O-] TS45086 [0,0,0,0,0,0|0,1,0]=1 54 B7R1.3 c1ccc(cc1)[S-] TS13286 [0,0,0,0,0,0|0,0,1]=1 55 B7R1.3 c1ccc(cc1)[S-] TS36665 [0,0,0,0,0,0|0,0,1]=1 56 B7R1.3 c1ccc(cc1)[SiH3] TS04151 [0,0,0,0,0,0|1,0,0]=1 57 B7R1.3 c1ccc(cc1)[Zn+] TS23551 [0,0,0,0,0,0|1,0,0]=1 58 B7R1.3 c1ccn(=O)cc1 TS60161 [0,0,0,0,0,0|1,1,0]=2 59 B7R1.3 c1ccnc(c1)Cl TS02148 [0,0,0,0,0,0|2,0,0]=2 60 B7R1.3 c1ccnc(c1)F TS60290 [0,0,0,0,0,0|2,0,0]=2 61 B7R1.3 c1ccnc(c1)I TS01085 [0,0,0,0,0,0|2,0,0]=2 62 B7R1.3 c1ccnc(c1)N TS03671 [0,0,0,0,0,0|2,0,0]=2 63 B7R1.3 c1ccnc(c1)O TS03693 [0,0,0,0,0,0|1,1,0]=2 64 B7R1.3 c1ccnc(c1)S TS31885 [0,0,0,0,0,0|1,0,0]=1 65 B7R1.3 c1ccnc(c1)[Zn+] TS50356 [0,0,0,0,0,0|2,0,0]=2 66 B7R1.3 c1ccoc(=O)c1 TS03711 [0,0,0,0,0,0|1,1,0]=2 67 B7R1.3 c1cn(=O)ccn1 TS03715 [0,0,0,0,0,0|2,1,0]=3 68 B7R1.3 c1cnc(cn1)Br TS00861 [0,0,0,0,0,0|3,0,0]=3 69 B7R1.3 c1cnc(cn1)Cl TS00954 [0,0,0,0,0,0|3,0,0]=3 70 B7R1.3 c1cnc(cn1)F TS01036 [0,0,0,0,0,0|3,0,0]=3 71 B7R1.3 c1cnc(cn1)N TS00818 [0,0,0,0,0,0|3,0,0]=3 72 B7R1.3 c1cnc(cn1)O TS55403 [0,0,0,0,0,0|2,1,0]=3 73 B7R1.3 c1cnc(cn1)S TS04306 [0,0,0,0,0,0|2,0,0]=2 74 B7R1.3 c1cnc(nc1)Br TS00866 [0,0,0,0,0,0|3,0,0]=3 75 B7R1.3 c1cnc(nc1)Cl TS00959 [0,0,0,0,0,0|3,0,0]=3 76 B7R1.3 c1cnc(nc1)Cl TS00963 [0,0,0,0,0,0|3,0,0]=3 77 B7R1.3 c1cnc(nc1)I TS38910 [0,0,0,0,0,0|3,0,0]=3 78 B7R1.3 c1cnc(nc1)N TS00821 [0,0,0,0,0,0|3,0,0]=3 79 B7R1.3 c1cnc(nc1)O TS13789 [0,0,0,0,0,0|2,1,0]=3 80 B7R1.3 c1cnc(nc1)O TS55405 [0,0,0,0,0,0|2,1,0]=3 81 B7R1.3 c1cnc(nc1)O TS55406 [0,0,0,0,0,0|2,1,0]=3 82 B7R1.3 c1cnc(nc1)S TS55424 [0,0,0,0,0,0|2,0,0]=2 83 B7R1.3 c1cnccc1Br TS57179 [0,0,0,0,0,0|2,0,0]=2 84 B7R1.3 c1cnccc1Cl TS09693 [0,0,0,0,0,0|2,0,0]=2 85 B7R1.3 c1cnccc1I TS09722 [0,0,0,0,0,0|2,0,0]=2 86 B7R1.3 c1cnccc1N TS70921 [0,0,0,0,0,0|2,0,0]=2 87 B7R1.3 c1cnccc1O TS87252 [0,0,0,0,0,0|1,1,0]=2 88 B7R1.3 c1cnccc1S TS31884 [0,0,0,0,0,0|1,0,0]=1 89 B7R1.3 c1cncnc1Br TS09614 [0,0,0,0,0,0|3,0,0]=3 90 B7R1.3 c1cncnc1Cl TS71077 [0,0,0,0,0,0|3,0,0]=3 91 B7R1.3 c1cncnc1Cl TS86366 [0,0,0,0,0,0|3,0,0]=3 92 B7R1.3 c1cncnc1N TS70922 [0,0,0,0,0,0|3,0,0]=3 93 B7R1.3 c1cncnc1O TS03137 [0,0,0,0,0,0|2,1,0]=3 94 B7R1.3 c1cncnc1O TS15021 [0,0,0,0,0,0|2,1,0]=3 95 B7R1.3 c1cncnc1O TS16881 [0,0,0,0,0,0|2,1,0]=3 96 B7R1.3 c1cnnc(n1)N TS03716 [0,0,0,0,0,0|4,0,0]=4 97 B7R1.3 c1cnncc1Br TS59608 [0,0,0,0,0,0|3,0,0]=3 98 B7R1.3 c1cnncc1N TS70920 [0,0,0,0,0,0|3,0,0]=3 99 B7R1.3 c1cnncc1N TS92859 [0,0,0,0,0,0|3,0,0]=3 100 B7R1.3 c1cnncc1O TS03136 [0,0,0,0,0,0|2,1,0]=3 101 B7R1.3 c1coccc1=O TS39928 [0,0,0,0,0,0|1,1,0]=2 102 B7R1.3 c1ncnc(n1)N TS03717 [0,0,0,0,0,0|4,0,0]=4 103 B6R1.1 C1CC=CC=C1 TS49690 [1,0,0,0,0,0|0,0,2]=3 104 B6R1.1 c1cc[nH+]cc1 TS05076 [1,0,0,0,0,0|1,0,0]=2 105 B6R1.1 c1cc[nH+]cc1 TS06368 [1,0,0,0,0,0|1,0,0]=2 106 B6R1.1 c1cc[nH+]cc1 TS18771 [1,0,0,0,0,0|1,0,0]=2 107 B6R1.1 c1cc[nH+]cc1 TS39933 [1,0,0,0,0,0|1,0,0]=2 108 B6R1.1 c1cc[nH+]cc1 TS77092 [1,0,0,0,0,0|1,0,0]=2 109 B6R1.1 c1ccccc1 TS03437 [1,0,0,0,0,0|0,0,0]=1 110 B6R1.1 c1ccccc1 TS34696 [1,0,0,0,0,0|0,0,0]=1 111 B6R1.1 c1ccccc1 TS83230 [1,0,0,0,0,0|0,0,0]=1 112 B6R1.1 c1ccncc1 TS03813 [1,0,0,0,0,0|1,0,0]=2 113 B6R1.1 c1ccncc1 TS13697 [1,0,0,0,0,0|1,0,0]=2 114 B6R1.1 c1ccncc1 TS26725 [1,0,0,0,0,0|1,0,0]=2 115 B6R1.1 c1ccncc1 TS39930 [1,0,0,0,0,0|1,0,0]=2 116 B6R1.1 c1ccncc1 TS42102 [1,0,0,0,0,0|1,0,0]=2 117 B6R1.1 c1ccncc1 TS59378 [1,0,0,0,0,0|1,0,0]=2 118 B6R1.1 c1ccncc1 TS71658 [1,0,0,0,0,0|1,0,0]=2 119 B6R1.1 c1ccncc1 TS78229 [1,0,0,0,0,0|1,0,0]=2 120 B6R1.1 c1ccncc1 TS80042 [1,0,0,0,0,0|1,0,0]=2 121 B6R1.1 c1ccnnc1 TS00218 [1,0,0,0,0,0|2,0,0]=3 122 B6R1.1 c1cnccn1 TS09080 [1,0,0,0,0,0|2,0,0]=3 123 B6R1.1 c1cncnc1 TS71665 [1,0,0,0,0,0|2,0,0]=3 124 B6R1.1 c1ncncn1 TS03441 [1,0,0,0,0,0|3,0,0]=4 125 B8R1.2 C#Cc1ccccc1 TS39865 [0,1,0,0,0,0|1,0,0]=2 126 B8R1.2 C#Cc1ccccn1 TS55319 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.2 C#Cc1cccnc1 TS16364 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.2 C#Cc1cccnn1 TS91729 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.2 C#Cc1ccncc1 TS71113 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.2 C#Cc1ccncc1 TS90305 [0,1,0,0,0,0|2,0,0]=3 131 B8R1.2 C#Cc1cnccn1 TS87522 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.2 C#Cc1cncnc1 TS86071 [0,1,0,0,0,0|3,0,0]=4 133 B8R1.2 C=Cc1ccccc1 TS04045 [0,1,0,0,0,0|1,0,0]=2 134 B8R1.2 C=Cc1ccccn1 TS31704 [0,1,0,0,0,0|2,0,0]=3 135 B8R1.2 C=Cc1cccnc1 TS31705 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.2 C=Cc1ccncc1 TS33177 [0,1,0,0,0,0|2,0,0]=3 137 B8R1.2 C=Cc1cnccn1 TS04089 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.2 CCC1=CCC=CC1 TS04142 [0,1,0,0,0,0|1,0,2]=4 139 B8R1.2 CC[n+]1ccccc1 TS40125 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.2 CC[n+]1ccccc1 TS50650 [0,1,0,0,0,0|2,0,0]=3 141 B8R1.2 CCc1ccccc1 TS04102 [0,1,0,0,0,0|1,0,0]=2 142 B8R1.2 CCc1ccccn1 TS55316 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.2 CCc1cccnc1 TS04113 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.2 CCc1ccncc1 TS04110 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.2 CCc1cnccn1 TS31774 [0,1,0,0,0,0|3,0,0]=4 146 B8R1.2 CNc1ccccc1 TS31758 [0,1,0,0,0,0|1,0,0]=2 147 B8R1.2 CNc1ccccc1 TS40129 [0,1,0,0,0,0|1,0,0]=2 148 B8R1.2 CNc1ccccn1 TS22814 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.2 CNc1cccnc1 TS09432 [0,1,0,0,0,0|2,0,0]=3 150 B8R1.2 CNc1ccncc1 TS16891 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.2 CNc1cnccn1 TS31803 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.2 CNc1ncccn1 TS31802 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.2 COc1ccccc1 TS39801 [0,1,0,0,0,0|0,1,0]=2 154 B8R1.2 COc1cccnn1 TS02827 [0,1,0,0,0,0|2,1,0]=4 155 B8R1.2 COc1ccncc1 TS03163 [0,1,0,0,0,0|1,1,0]=3 156 B8R1.2 COc1ccncn1 TS31815 [0,1,0,0,0,0|2,1,0]=4 157 B8R1.2 COc1cnccn1 TS55429 [0,1,0,0,0,0|2,1,0]=4 158 B8R1.2 COc1ncccn1 TS31823 [0,1,0,0,0,0|2,1,0]=4 159 B8R1.2 CPc1ccccc1 TS32592 [0,1,0,0,0,0|1,0,0]=2 160 B8R1.2 CSc1ccccc1 TS36022 [0,1,0,0,0,0|0,0,0]=1 161 B8R1.2 CSc1ccccn1 TS05101 [0,1,0,0,0,0|1,0,0]=2 162 B8R1.2 CSc1cccnc1 TS05108 [0,1,0,0,0,0|1,0,0]=2 163 B8R1.2 CSc1cnccn1 TS55418 [0,1,0,0,0,0|2,0,0]=3 164 B8R1.2 CSc1ncccn1 TS36144 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.2 CSc1nccnn1 TS70681 [0,1,0,0,0,0|3,0,0]=4 166 B8R1.2 C[NH2+]c1ccccc1 TS49917 [0,1,0,0,0,0|1,0,0]=2 167 B8R1.2 C[SiH2]c1ccccc1 TS04929 [0,1,0,0,0,0|1,0,0]=2 168 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [0,1,0,0,0,0|1,0,0]=2 169 B8R1.2 c1c(cncn1)C#N TS03285 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.2 c1c(cncn1)C=O TS01668 [0,1,0,0,0,0|2,1,0]=4 171 B8R1.2 c1c(cncn1)CCl TS91001 [0,1,0,0,0,0|3,0,0]=4 172 B8R1.2 c1c(cncn1)CCl TS91653 [0,1,0,0,0,0|3,0,0]=4 173 B8R1.2 c1c(cncn1)CN TS55503 [0,1,0,0,0,0|3,0,0]=4 174 B8R1.2 c1c(cncn1)CO TS55504 [0,1,0,0,0,0|2,1,0]=4 175 B8R1.2 c1c(cncn1)NN TS90574 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.2 c1cc(cnc1)C#N TS02037 [0,1,0,0,0,0|2,0,0]=3 177 B8R1.2 c1cc(cnc1)CBr TS09437 [0,1,0,0,0,0|2,0,0]=3 178 B8R1.2 c1cc(cnc1)CCl TS00113 [0,1,0,0,0,0|2,0,0]=3 179 B8R1.2 c1cc(cnc1)CCl TS02031 [0,1,0,0,0,0|2,0,0]=3 180 B8R1.2 c1cc(cnc1)CI TS49544 [0,1,0,0,0,0|2,0,0]=3 181 B8R1.2 c1cc(cnc1)CI TS64566 [0,1,0,0,0,0|2,0,0]=3 182 B8R1.2 c1cc(cnc1)CN TS02883 [0,1,0,0,0,0|2,0,0]=3 183 B8R1.2 c1cc(cnc1)CO TS92960 [0,1,0,0,0,0|1,1,0]=3 184 B8R1.2 c1cc(cnc1)CO TS93835 [0,1,0,0,0,0|1,1,0]=3 185 B8R1.2 c1cc(cnc1)NN TS87727 [0,1,0,0,0,0|2,0,0]=3 186 B8R1.2 c1cc(nnc1)C#N TS87766 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.2 c1cc(nnc1)C=O TS59366 [0,1,0,0,0,0|2,1,0]=4 188 B8R1.2 c1cc(nnc1)CCl TS90180 [0,1,0,0,0,0|3,0,0]=4 189 B8R1.2 c1cc(nnc1)CN TS90318 [0,1,0,0,0,0|3,0,0]=4 190 B8R1.2 c1cc(nnc1)CO TS59365 [0,1,0,0,0,0|2,1,0]=4 191 B8R1.2 c1ccc(cc1)C#N TS01882 [0,1,0,0,0,0|1,0,0]=2 192 B8R1.2 c1ccc(cc1)C#N TS80489 [0,1,0,0,0,0|1,0,0]=2 193 B8R1.2 c1ccc(cc1)C=O TS43757 [0,1,0,0,0,0|0,1,0]=2 194 B8R1.2 c1ccc(cc1)CCl TS36191 [0,1,0,0,0,0|1,0,0]=2 195 B8R1.2 c1ccc(cc1)CF TS31826 [0,1,0,0,0,0|1,0,0]=2 196 B8R1.2 c1ccc(cc1)CI TS09176 [0,1,0,0,0,0|1,0,0]=2 197 B8R1.2 c1ccc(cc1)CN TS01379 [0,1,0,0,0,0|1,0,0]=2 198 B8R1.2 c1ccc(cc1)CN TS40124 [0,1,0,0,0,0|1,0,0]=2 199 B8R1.2 c1ccc(cc1)CO TS31769 [0,1,0,0,0,0|0,1,0]=2 200 B8R1.2 c1ccc(cc1)CS TS36023 [0,1,0,0,0,0|0,0,0]=1 201 B8R1.2 c1ccc(cc1)I=O TS49692 [0,1,0,0,0,0|0,1,0]=2 202 B8R1.2 c1ccc(cc1)N=O TS31751 [0,1,0,0,0,0|0,1,0]=2 203 B8R1.2 c1ccc(cc1)NN TS07047 [0,1,0,0,0,0|1,0,0]=2 204 B8R1.2 c1ccc(cc1)NN TS31771 [0,1,0,0,0,0|1,0,0]=2 205 B8R1.2 c1ccc(cc1)NN TS61145 [0,1,0,0,0,0|1,0,0]=2 206 B8R1.2 c1ccc(cc1)NN TS76102 [0,1,0,0,0,0|1,0,0]=2 207 B8R1.2 c1ccc(cc1)NO TS31793 [0,1,0,0,0,0|0,1,0]=2 208 B8R1.2 c1ccc(cc1)NO TS37696 [0,1,0,0,0,0|0,1,0]=2 209 B8R1.2 c1ccc(cc1)ON TS07146 [0,1,0,0,0,0|0,1,0]=2 210 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [0,1,0,0,0,0|1,0,0]=2 211 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [0,1,0,0,0,0|1,0,0]=2 212 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [0,1,0,0,0,0|1,0,0]=2 213 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [0,1,0,0,0,0|1,0,0]=2 214 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [0,1,0,0,0,0|1,0,0]=2 215 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [0,1,0,0,0,0|1,0,0]=2 216 B8R1.2 c1ccnc(c1)C#N TS59347 [0,1,0,0,0,0|2,0,0]=3 217 B8R1.2 c1ccnc(c1)C=O TS02469 [0,1,0,0,0,0|1,1,0]=3 218 B8R1.2 c1ccnc(c1)CBr TS47083 [0,1,0,0,0,0|2,0,0]=3 219 B8R1.2 c1ccnc(c1)CCl TS47089 [0,1,0,0,0,0|2,0,0]=3 220 B8R1.2 c1ccnc(c1)CCl TS47090 [0,1,0,0,0,0|2,0,0]=3 221 B8R1.2 c1ccnc(c1)CN TS00811 [0,1,0,0,0,0|2,0,0]=3 222 B8R1.2 c1ccnc(c1)CO TS07144 [0,1,0,0,0,0|1,1,0]=3 223 B8R1.2 c1ccnc(c1)CO TS31798 [0,1,0,0,0,0|1,1,0]=3 224 B8R1.2 c1ccnc(c1)CS TS05100 [0,1,0,0,0,0|1,0,0]=2 225 B8R1.2 c1ccnc(c1)NN TS14875 [0,1,0,0,0,0|2,0,0]=3 226 B8R1.2 c1ccnc(c1)NN TS55380 [0,1,0,0,0,0|2,0,0]=3 227 B8R1.2 c1cnc(cn1)C#N TS55308 [0,1,0,0,0,0|3,0,0]=4 228 B8R1.2 c1cnc(cn1)C=O TS31759 [0,1,0,0,0,0|2,1,0]=4 229 B8R1.2 c1cnc(cn1)CCl TS88127 [0,1,0,0,0,0|3,0,0]=4 230 B8R1.2 c1cnc(cn1)CN TS01661 [0,1,0,0,0,0|3,0,0]=4 231 B8R1.2 c1cnc(cn1)CO TS88438 [0,1,0,0,0,0|2,1,0]=4 232 B8R1.2 c1cnc(cn1)CS TS36139 [0,1,0,0,0,0|2,0,0]=3 233 B8R1.2 c1cnc(cn1)NN TS55379 [0,1,0,0,0,0|3,0,0]=4 234 B8R1.2 c1cnc(nc1)C#N TS00975 [0,1,0,0,0,0|3,0,0]=4 235 B8R1.2 c1cnc(nc1)C=O TS02479 [0,1,0,0,0,0|2,1,0]=4 236 B8R1.2 c1cnc(nc1)CCl TS47091 [0,1,0,0,0,0|3,0,0]=4 237 B8R1.2 c1cnc(nc1)CCl TS88108 [0,1,0,0,0,0|3,0,0]=4 238 B8R1.2 c1cnc(nc1)CN TS02480 [0,1,0,0,0,0|3,0,0]=4 239 B8R1.2 c1cnc(nc1)CO TS00517 [0,1,0,0,0,0|2,1,0]=4 240 B8R1.2 c1cnc(nc1)NN TS85548 [0,1,0,0,0,0|3,0,0]=4 241 B8R1.2 c1cnccc1C#N TS03069 [0,1,0,0,0,0|2,0,0]=3 242 B8R1.2 c1cnccc1C=O TS59369 [0,1,0,0,0,0|1,1,0]=3 243 B8R1.2 c1cnccc1CBr TS39318 [0,1,0,0,0,0|2,0,0]=3 244 B8R1.2 c1cnccc1CCl TS16903 [0,1,0,0,0,0|2,0,0]=3 245 B8R1.2 c1cnccc1CN TS31773 [0,1,0,0,0,0|2,0,0]=3 246 B8R1.2 c1cnccc1CO TS07149 [0,1,0,0,0,0|1,1,0]=3 247 B8R1.2 c1cnccc1CO TS71297 [0,1,0,0,0,0|1,1,0]=3 248 B8R1.2 c1cnccc1NN TS89841 [0,1,0,0,0,0|2,0,0]=3 249 B8R1.2 c1cncnc1C=O TS01666 [0,1,0,0,0,0|2,1,0]=4 250 B8R1.2 c1cncnc1CN TS16892 [0,1,0,0,0,0|3,0,0]=4 251 B8R1.2 c1cncnc1CN TS85609 [0,1,0,0,0,0|3,0,0]=4 252 B8R1.2 c1cncnc1CO TS33139 [0,1,0,0,0,0|2,1,0]=4 253 B8R1.2 c1cnncc1C#N TS87033 [0,1,0,0,0,0|3,0,0]=4 254 B8R1.2 c1cnncc1C=O TS87334 [0,1,0,0,0,0|2,1,0]=4 255 B8R1.2 c1cnncc1CN TS90837 [0,1,0,0,0,0|3,0,0]=4 256 B8R1.2 c1cnncc1CO TS89532 [0,1,0,0,0,0|2,1,0]=4 257 B8R1.3 C1=CC(=O)C=CC1=O TS04136 [0,1,0,0,0,0|0,1,0]=2 258 B8R1.3 C1=CC(=O)C=CC1=[OH+] TS75395 [0,1,0,0,0,0|0,1,0]=2 259 B8R1.3 Cc1cc[n+](cc1)C TS25680 [0,1,0,0,0,0|2,0,0]=3 260 B8R1.3 Cc1ccc(=O)[nH]c1 TS92956 [0,1,0,0,0,0|1,1,0]=3 261 B8R1.3 Cc1ccc(=O)[nH]n1 TS88402 [0,1,0,0,0,0|2,1,0]=4 262 B8R1.3 Cc1ccc(cc1)Br TS09620 [0,1,0,0,0,0|1,0,0]=2 263 B8R1.3 Cc1ccc(cc1)C TS04096 [0,1,0,0,0,0|1,0,0]=2 264 B8R1.3 Cc1ccc(cc1)C TS77016 [0,1,0,0,0,0|1,0,0]=2 265 B8R1.3 Cc1ccc(cc1)Cl TS39593 [0,1,0,0,0,0|1,0,0]=2 266 B8R1.3 Cc1ccc(cc1)F TS31829 [0,1,0,0,0,0|1,0,0]=2 267 B8R1.3 Cc1ccc(cc1)I TS07804 [0,1,0,0,0,0|1,0,0]=2 268 B8R1.3 Cc1ccc(cc1)I TS67797 [0,1,0,0,0,0|1,0,0]=2 269 B8R1.3 Cc1ccc(cc1)N TS04112 [0,1,0,0,0,0|1,0,0]=2 270 B8R1.3 Cc1ccc(cc1)N TS40127 [0,1,0,0,0,0|1,0,0]=2 271 B8R1.3 Cc1ccc(cc1)O TS05157 [0,1,0,0,0,0|0,1,0]=2 272 B8R1.3 Cc1ccc(cc1)O TS94395 [0,1,0,0,0,0|0,1,0]=2 273 B8R1.3 Cc1ccc(cc1)P TS32593 [0,1,0,0,0,0|1,0,0]=2 274 B8R1.3 Cc1ccc(cc1)S TS39763 [0,1,0,0,0,0|0,0,0]=1 275 B8R1.3 Cc1ccc(cc1)[Si] TS04930 [0,1,0,0,0,0|1,0,0]=2 276 B8R1.3 Cc1ccc(cn1)Br TS09799 [0,1,0,0,0,0|2,0,0]=3 277 B8R1.3 Cc1ccc(cn1)Cl TS71507 [0,1,0,0,0,0|2,0,0]=3 278 B8R1.3 Cc1ccc(cn1)F TS03302 [0,1,0,0,0,0|2,0,0]=3 279 B8R1.3 Cc1ccc(cn1)I TS71574 [0,1,0,0,0,0|2,0,0]=3 280 B8R1.3 Cc1ccc(cn1)N TS65872 [0,1,0,0,0,0|2,0,0]=3 281 B8R1.3 Cc1ccc(cn1)O TS71569 [0,1,0,0,0,0|1,1,0]=3 282 B8R1.3 Cc1ccc(nc1)Br TS55127 [0,1,0,0,0,0|2,0,0]=3 283 B8R1.3 Cc1ccc(nc1)C TS47280 [0,1,0,0,0,0|2,0,0]=3 284 B8R1.3 Cc1ccc(nc1)Cl TS00914 [0,1,0,0,0,0|2,0,0]=3 285 B8R1.3 Cc1ccc(nc1)F TS01010 [0,1,0,0,0,0|2,0,0]=3 286 B8R1.3 Cc1ccc(nc1)N TS07049 [0,1,0,0,0,0|2,0,0]=3 287 B8R1.3 Cc1ccc(nc1)N TS47444 [0,1,0,0,0,0|2,0,0]=3 288 B8R1.3 Cc1ccc(nc1)O TS01053 [0,1,0,0,0,0|1,1,0]=3 289 B8R1.3 Cc1ccc(nc1)S TS05105 [0,1,0,0,0,0|1,0,0]=2 290 B8R1.3 Cc1ccc(nn1)Br TS89616 [0,1,0,0,0,0|3,0,0]=4 291 B8R1.3 Cc1ccc(nn1)C TS94711 [0,1,0,0,0,0|3,0,0]=4 292 B8R1.3 Cc1ccc(nn1)Cl TS02708 [0,1,0,0,0,0|3,0,0]=4 293 B8R1.3 Cc1ccc(nn1)I TS85912 [0,1,0,0,0,0|3,0,0]=4 294 B8R1.3 Cc1ccc(nn1)N TS91497 [0,1,0,0,0,0|3,0,0]=4 295 B8R1.3 Cc1ccn(=O)cc1 TS09774 [0,1,0,0,0,0|1,1,0]=3 296 B8R1.3 Cc1cnc(cn1)Br TS89981 [0,1,0,0,0,0|3,0,0]=4 297 B8R1.3 Cc1cnc(cn1)C TS47279 [0,1,0,0,0,0|3,0,0]=4 298 B8R1.3 Cc1cnc(cn1)N TS47443 [0,1,0,0,0,0|3,0,0]=4 299 B8R1.3 Cc1cnc(nc1)Cl TS00915 [0,1,0,0,0,0|3,0,0]=4 300 B8R1.3 Cc1cnc(nc1)N TS47445 [0,1,0,0,0,0|3,0,0]=4 301 B8R1.3 Cc1ncc(cn1)Br TS87704 [0,1,0,0,0,0|3,0,0]=4 302 B8R1.3 Cc1ncc(cn1)N TS03220 [0,1,0,0,0,0|3,0,0]=4 303 B8R1.3 Cc1ncc(cn1)O TS02449 [0,1,0,0,0,0|2,1,0]=4 304 B8R1.3 c1c(cnc(=O)[nH]1)I TS01050 [0,1,0,0,0,0|2,1,0]=4 305 B8R1.3 c1c(cnc(n1)Br)Br TS47251 [0,1,0,0,0,0|3,0,0]=4 306 B8R1.3 c1c(cnc(n1)Br)F TS01773 [0,1,0,0,0,0|3,0,0]=4 307 B8R1.3 c1c(cnc(n1)Br)N TS71354 [0,1,0,0,0,0|3,0,0]=4 308 B8R1.3 c1c(cnc(n1)Br)O TS90862 [0,1,0,0,0,0|2,1,0]=4 309 B8R1.3 c1c(cnc(n1)Cl)Br TS00904 [0,1,0,0,0,0|3,0,0]=4 310 B8R1.3 c1c(cnc(n1)Cl)Br TS93692 [0,1,0,0,0,0|3,0,0]=4 311 B8R1.3 c1c(cnc(n1)Cl)Cl TS00668 [0,1,0,0,0,0|3,0,0]=4 312 B8R1.3 c1c(cnc(n1)Cl)F TS86944 [0,1,0,0,0,0|3,0,0]=4 313 B8R1.3 c1c(cnc(n1)Cl)N TS71358 [0,1,0,0,0,0|3,0,0]=4 314 B8R1.3 c1c(cnc(n1)Cl)O TS55250 [0,1,0,0,0,0|2,1,0]=4 315 B8R1.3 c1c(cnc(n1)F)Br TS39343 [0,1,0,0,0,0|3,0,0]=4 316 B8R1.3 c1c(cnc(n1)F)N TS32005 [0,1,0,0,0,0|3,0,0]=4 317 B8R1.3 c1c(cnc(n1)I)Br TS09787 [0,1,0,0,0,0|3,0,0]=4 318 B8R1.3 c1c(cnc(n1)I)Cl TS71499 [0,1,0,0,0,0|3,0,0]=4 319 B8R1.3 c1c(cnc(n1)N)Br TS09814 [0,1,0,0,0,0|3,0,0]=4 320 B8R1.3 c1c(cnc(n1)N)Cl TS00779 [0,1,0,0,0,0|3,0,0]=4 321 B8R1.3 c1c(cnc(n1)N)I TS47436 [0,1,0,0,0,0|3,0,0]=4 322 B8R1.3 c1c(cnc(n1)N)N TS47241 [0,1,0,0,0,0|3,0,0]=4 323 B8R1.3 c1c(cnc(n1)N)O TS00791 [0,1,0,0,0,0|2,1,0]=4 324 B8R1.3 c1c(cnc(n1)O)Br TS09782 [0,1,0,0,0,0|2,1,0]=4 325 B8R1.3 c1c(cnc(n1)O)Br TS94911 [0,1,0,0,0,0|2,1,0]=4 326 B8R1.3 c1c(cnc(n1)O)Cl TS71497 [0,1,0,0,0,0|2,1,0]=4 327 B8R1.3 c1c(ncc(n1)Br)Br TS47250 [0,1,0,0,0,0|3,0,0]=4 328 B8R1.3 c1c(ncc(n1)Br)Cl TS89584 [0,1,0,0,0,0|3,0,0]=4 329 B8R1.3 c1c(ncc(n1)Br)N TS47430 [0,1,0,0,0,0|3,0,0]=4 330 B8R1.3 c1c(ncc(n1)Br)O TS08345 [0,1,0,0,0,0|2,1,0]=4 331 B8R1.3 c1c(ncc(n1)Cl)Cl TS00665 [0,1,0,0,0,0|3,0,0]=4 332 B8R1.3 c1c(ncc(n1)Cl)N TS00777 [0,1,0,0,0,0|3,0,0]=4 333 B8R1.3 c1c(ncc(n1)Cl)O TS71495 [0,1,0,0,0,0|2,1,0]=4 334 B8R1.3 c1c(ncc(n1)I)Br TS89956 [0,1,0,0,0,0|3,0,0]=4 335 B8R1.3 c1c[n+](ccc1F)[O-] TS87895 [0,1,0,0,0,0|1,1,0]=3 336 B8R1.3 c1c[n+](ccc1O)[O-] TS04235 [0,1,0,0,0,0|1,1,0]=3 337 B8R1.3 c1cc(=S)[nH]cc1N TS36143 [0,1,0,0,0,0|1,0,1]=3 338 B8R1.3 c1cc(ccc1Br)Br TS07885 [0,1,0,0,0,0|1,0,0]=2 339 B8R1.3 c1cc(ccc1Br)I TS00413 [0,1,0,0,0,0|1,0,0]=2 340 B8R1.3 c1cc(ccc1Cl)Br TS09601 [0,1,0,0,0,0|1,0,0]=2 341 B8R1.3 c1cc(ccc1Cl)Cl TS40485 [0,1,0,0,0,0|1,0,0]=2 342 B8R1.3 c1cc(ccc1Cl)I TS64993 [0,1,0,0,0,0|1,0,0]=2 343 B8R1.3 c1cc(ccc1Cl)[Zn+] TS59235 [0,1,0,0,0,0|1,0,0]=2 344 B8R1.3 c1cc(ccc1F)Br TS09602 [0,1,0,0,0,0|1,0,0]=2 345 B8R1.3 c1cc(ccc1F)Cl TS09203 [0,1,0,0,0,0|1,0,0]=2 346 B8R1.3 c1cc(ccc1F)F TS59891 [0,1,0,0,0,0|1,0,0]=2 347 B8R1.3 c1cc(ccc1F)I TS39508 [0,1,0,0,0,0|1,0,0]=2 348 B8R1.3 c1cc(ccc1F)S TS05333 [0,1,0,0,0,0|0,0,0]=1 349 B8R1.3 c1cc(ccc1F)S TS12288 [0,1,0,0,0,0|0,0,0]=1 350 B8R1.3 c1cc(ccc1I)I TS46809 [0,1,0,0,0,0|1,0,0]=2 351 B8R1.3 c1cc(ccc1N)Br TS70992 [0,1,0,0,0,0|1,0,0]=2 352 B8R1.3 c1cc(ccc1N)Cl TS42659 [0,1,0,0,0,0|1,0,0]=2 353 B8R1.3 c1cc(ccc1N)Cl TS71059 [0,1,0,0,0,0|1,0,0]=2 354 B8R1.3 c1cc(ccc1N)F TS71137 [0,1,0,0,0,0|1,0,0]=2 355 B8R1.3 c1cc(ccc1N)I TS71193 [0,1,0,0,0,0|1,0,0]=2 356 B8R1.3 c1cc(ccc1N)N TS38978 [0,1,0,0,0,0|1,0,0]=2 357 B8R1.3 c1cc(ccc1N)O TS07145 [0,1,0,0,0,0|0,1,0]=2 358 B8R1.3 c1cc(ccc1N)O TS59709 [0,1,0,0,0,0|0,1,0]=2 359 B8R1.3 c1cc(ccc1N)S TS39734 [0,1,0,0,0,0|0,0,0]=1 360 B8R1.3 c1cc(ccc1O)Cl TS36377 [0,1,0,0,0,0|0,1,0]=2 361 B8R1.3 c1cc(ccc1O)Cl TS40947 [0,1,0,0,0,0|0,1,0]=2 362 B8R1.3 c1cc(ccc1O)F TS33165 [0,1,0,0,0,0|0,1,0]=2 363 B8R1.3 c1cc(ccc1O)I TS59518 [0,1,0,0,0,0|0,1,0]=2 364 B8R1.3 c1cc(ccc1O)O TS01676 [0,1,0,0,0,0|0,1,0]=2 365 B8R1.3 c1cc(ccc1O)O TS02292 [0,1,0,0,0,0|0,1,0]=2 366 B8R1.3 c1cc(ccc1O)O TS24537 [0,1,0,0,0,0|0,1,0]=2 367 B8R1.3 c1cc(ccc1O)S TS36138 [0,1,0,0,0,0|0,0,0]=1 368 B8R1.3 c1cc(ccc1S)Br TS39741 [0,1,0,0,0,0|0,0,0]=1 369 B8R1.3 c1cc(ccc1S)Cl TS07052 [0,1,0,0,0,0|0,0,0]=1 370 B8R1.3 c1cc(ccc1[Zn+])Br TS64616 [0,1,0,0,0,0|1,0,0]=2 371 B8R1.3 c1cc(n[nH]c1=O)Cl TS55572 [0,1,0,0,0,0|2,1,0]=4 372 B8R1.3 c1cc(ncc1Br)Br TS25985 [0,1,0,0,0,0|2,0,0]=3 373 B8R1.3 c1cc(ncc1Br)Cl TS71413 [0,1,0,0,0,0|2,0,0]=3 374 B8R1.3 c1cc(ncc1Br)F TS71426 [0,1,0,0,0,0|2,0,0]=3 375 B8R1.3 c1cc(ncc1Br)I TS09786 [0,1,0,0,0,0|2,0,0]=3 376 B8R1.3 c1cc(ncc1Br)N TS47431 [0,1,0,0,0,0|2,0,0]=3 377 B8R1.3 c1cc(ncc1Br)N TS90623 [0,1,0,0,0,0|2,0,0]=3 378 B8R1.3 c1cc(ncc1Br)O TS09781 [0,1,0,0,0,0|1,1,0]=3 379 B8R1.3 c1cc(ncc1Cl)Br TS55123 [0,1,0,0,0,0|2,0,0]=3 380 B8R1.3 c1cc(ncc1Cl)Cl TS00666 [0,1,0,0,0,0|2,0,0]=3 381 B8R1.3 c1cc(ncc1Cl)F TS71487 [0,1,0,0,0,0|2,0,0]=3 382 B8R1.3 c1cc(ncc1Cl)I TS71498 [0,1,0,0,0,0|2,0,0]=3 383 B8R1.3 c1cc(ncc1Cl)N TS00778 [0,1,0,0,0,0|2,0,0]=3 384 B8R1.3 c1cc(ncc1Cl)O TS71496 [0,1,0,0,0,0|1,1,0]=3 385 B8R1.3 c1cc(ncc1F)Br TS08342 [0,1,0,0,0,0|2,0,0]=3 386 B8R1.3 c1cc(ncc1F)Cl TS85452 [0,1,0,0,0,0|2,0,0]=3 387 B8R1.3 c1cc(ncc1F)F TS47260 [0,1,0,0,0,0|2,0,0]=3 388 B8R1.3 c1cc(ncc1F)I TS50245 [0,1,0,0,0,0|2,0,0]=3 389 B8R1.3 c1cc(ncc1F)N TS00788 [0,1,0,0,0,0|2,0,0]=3 390 B8R1.3 c1cc(ncc1F)N TS85448 [0,1,0,0,0,0|2,0,0]=3 391 B8R1.3 c1cc(ncc1F)O TS71538 [0,1,0,0,0,0|1,1,0]=3 392 B8R1.3 c1cc(ncc1I)Br TS08347 [0,1,0,0,0,0|2,0,0]=3 393 B8R1.3 c1cc(ncc1I)Cl TS55251 [0,1,0,0,0,0|2,0,0]=3 394 B8R1.3 c1cc(ncc1I)F TS85441 [0,1,0,0,0,0|2,0,0]=3 395 B8R1.3 c1cc(ncc1I)I TS59927 [0,1,0,0,0,0|2,0,0]=3 396 B8R1.3 c1cc(ncc1I)N TS47435 [0,1,0,0,0,0|2,0,0]=3 397 B8R1.3 c1cc(ncc1I)O TS60294 [0,1,0,0,0,0|1,1,0]=3 398 B8R1.3 c1cc(ncc1N)Br TS65865 [0,1,0,0,0,0|2,0,0]=3 399 B8R1.3 c1cc(ncc1N)Cl TS71356 [0,1,0,0,0,0|2,0,0]=3 400 B8R1.3 c1cc(ncc1N)F TS01234 [0,1,0,0,0,0|2,0,0]=3 401 B8R1.3 c1cc(ncc1N)I TS71363 [0,1,0,0,0,0|2,0,0]=3 402 B8R1.3 c1cc(ncc1N)N TS47239 [0,1,0,0,0,0|2,0,0]=3 403 B8R1.3 c1cc(ncc1N)N TS47240 [0,1,0,0,0,0|2,0,0]=3 404 B8R1.3 c1cc(ncc1N)O TS07283 [0,1,0,0,0,0|1,1,0]=3 405 B8R1.3 c1cc(ncc1N)O TS71362 [0,1,0,0,0,0|1,1,0]=3 406 B8R1.3 c1cc(ncc1O)Br TS08346 [0,1,0,0,0,0|1,1,0]=3 407 B8R1.3 c1cc(ncc1O)Cl TS55249 [0,1,0,0,0,0|1,1,0]=3 408 B8R1.3 c1cc(ncc1O)F TS01000 [0,1,0,0,0,0|1,1,0]=3 409 B8R1.3 c1cc(ncc1O)I TS23214 [0,1,0,0,0,0|1,1,0]=3 410 B8R1.3 c1cc(ncc1O)N TS00790 [0,1,0,0,0,0|1,1,0]=3 411 B8R1.3 c1cc(ncc1O)O TS47263 [0,1,0,0,0,0|1,1,0]=3 412 B8R1.3 c1cc(nnc1Br)Br TS02604 [0,1,0,0,0,0|3,0,0]=4 413 B8R1.3 c1cc(nnc1Cl)Cl TS02605 [0,1,0,0,0,0|3,0,0]=4 414 B8R1.3 c1cc(nnc1Cl)I TS86647 [0,1,0,0,0,0|3,0,0]=4 415 B8R1.3 c1cc(nnc1I)I TS63749 [0,1,0,0,0,0|3,0,0]=4 416 B8R1.3 c1cc(nnc1N)Br TS65863 [0,1,0,0,0,0|3,0,0]=4 417 B8R1.3 c1cc(nnc1N)Cl TS33360 [0,1,0,0,0,0|3,0,0]=4 418 B8R1.3 c1cc(nnc1N)Cl TS65868 [0,1,0,0,0,0|3,0,0]=4 419 B8R1.3 c1cc(nnc1N)I TS90422 [0,1,0,0,0,0|3,0,0]=4 420 B8R1.3 c1cc(nnc1N)N TS07284 [0,1,0,0,0,0|3,0,0]=4 421 B8R1.3 c1cc(nnc1O)Cl TS36566 [0,1,0,0,0,0|2,1,0]=4 422 B8R1.3 c1cc(nnc1O)O TS93162 [0,1,0,0,0,0|2,1,0]=4 423 B8R1.3 c1cn(=O)ccc1Cl TS05502 [0,1,0,0,0,0|1,1,0]=3 424 B8R1.4 CC1=CCC=C(C1)C TS04144 [0,1,0,0,0,0|1,0,2]=4 425 B8R1.4 C[n+]1cccc(c1)Br TS74567 [0,1,0,0,0,0|2,0,0]=3 426 B8R1.4 Cc1cc(=O)[nH]nc1 TS31816 [0,1,0,0,0,0|2,1,0]=4 427 B8R1.4 Cc1cc(ccn1)Br TS20656 [0,1,0,0,0,0|2,0,0]=3 428 B8R1.4 Cc1cc(ccn1)Br TS85446 [0,1,0,0,0,0|2,0,0]=3 429 B8R1.4 Cc1cc(ccn1)Cl TS42660 [0,1,0,0,0,0|2,0,0]=3 430 B8R1.4 Cc1cc(ccn1)Cl TS71029 [0,1,0,0,0,0|2,0,0]=3 431 B8R1.4 Cc1cc(ccn1)F TS04247 [0,1,0,0,0,0|2,0,0]=3 432 B8R1.4 Cc1cc(ccn1)I TS22520 [0,1,0,0,0,0|2,0,0]=3 433 B8R1.4 Cc1cc(ccn1)N TS93456 [0,1,0,0,0,0|2,0,0]=3 434 B8R1.4 Cc1cc(ccn1)O TS03105 [0,1,0,0,0,0|1,1,0]=3 435 B8R1.4 Cc1cc(cnc1)Br TS65935 [0,1,0,0,0,0|2,0,0]=3 436 B8R1.4 Cc1cc(cnc1)C TS31757 [0,1,0,0,0,0|2,0,0]=3 437 B8R1.4 Cc1cc(cnc1)Cl TS66000 [0,1,0,0,0,0|2,0,0]=3 438 B8R1.4 Cc1cc(cnc1)F TS70587 [0,1,0,0,0,0|2,0,0]=3 439 B8R1.4 Cc1cc(cnc1)N TS02653 [0,1,0,0,0,0|2,0,0]=3 440 B8R1.4 Cc1cc(cnc1)O TS70616 [0,1,0,0,0,0|1,1,0]=3 441 B8R1.4 Cc1cc(ncn1)C TS02936 [0,1,0,0,0,0|3,0,0]=4 442 B8R1.4 Cc1cc(ncn1)Cl TS03167 [0,1,0,0,0,0|3,0,0]=4 443 B8R1.4 Cc1cc(ncn1)N TS86037 [0,1,0,0,0,0|3,0,0]=4 444 B8R1.4 Cc1cc(ncn1)O TS71161 [0,1,0,0,0,0|2,1,0]=4 445 B8R1.4 Cc1cc(nnc1)Cl TS00181 [0,1,0,0,0,0|3,0,0]=4 446 B8R1.4 Cc1cc[nH]c(=O)n1 TS87771 [0,1,0,0,0,0|2,1,0]=4 447 B8R1.4 Cc1cccc(c1)Br TS39711 [0,1,0,0,0,0|1,0,0]=2 448 B8R1.4 Cc1cccc(c1)C TS04101 [0,1,0,0,0,0|1,0,0]=2 449 B8R1.4 Cc1cccc(c1)Cl TS36194 [0,1,0,0,0,0|1,0,0]=2 450 B8R1.4 Cc1cccc(c1)F TS31827 [0,1,0,0,0,0|1,0,0]=2 451 B8R1.4 Cc1cccc(c1)I TS49342 [0,1,0,0,0,0|1,0,0]=2 452 B8R1.4 Cc1cccc(c1)N TS04111 [0,1,0,0,0,0|1,0,0]=2 453 B8R1.4 Cc1cccc(c1)N TS40126 [0,1,0,0,0,0|1,0,0]=2 454 B8R1.4 Cc1cccc(c1)O TS31767 [0,1,0,0,0,0|0,1,0]=2 455 B8R1.4 Cc1cccc(c1)S TS05038 [0,1,0,0,0,0|0,0,0]=1 456 B8R1.4 Cc1cccc(n1)Br TS08371 [0,1,0,0,0,0|2,0,0]=3 457 B8R1.4 Cc1cccc(n1)Br TS94756 [0,1,0,0,0,0|2,0,0]=3 458 B8R1.4 Cc1cccc(n1)C TS60248 [0,1,0,0,0,0|2,0,0]=3 459 B8R1.4 Cc1cccc(n1)Cl TS00936 [0,1,0,0,0,0|2,0,0]=3 460 B8R1.4 Cc1cccc(n1)F TS55370 [0,1,0,0,0,0|2,0,0]=3 461 B8R1.4 Cc1cccc(n1)I TS59623 [0,1,0,0,0,0|2,0,0]=3 462 B8R1.4 Cc1cccc(n1)N TS47459 [0,1,0,0,0,0|2,0,0]=3 463 B8R1.4 Cc1cccc(n1)O TS01270 [0,1,0,0,0,0|1,1,0]=3 464 B8R1.4 Cc1cccc(n1)S TS05106 [0,1,0,0,0,0|1,0,0]=2 465 B8R1.4 Cc1cccn(=O)c1 TS02882 [0,1,0,0,0,0|1,1,0]=3 466 B8R1.4 Cc1ccnc(c1)Br TS08333 [0,1,0,0,0,0|2,0,0]=3 467 B8R1.4 Cc1ccnc(c1)C TS07700 [0,1,0,0,0,0|2,0,0]=3 468 B8R1.4 Cc1ccnc(c1)Cl TS55236 [0,1,0,0,0,0|2,0,0]=3 469 B8R1.4 Cc1ccnc(c1)F TS85429 [0,1,0,0,0,0|2,0,0]=3 470 B8R1.4 Cc1ccnc(c1)I TS33096 [0,1,0,0,0,0|2,0,0]=3 471 B8R1.4 Cc1ccnc(c1)O TS01045 [0,1,0,0,0,0|1,1,0]=3 472 B8R1.4 Cc1ccnc(n1)Br TS08334 [0,1,0,0,0,0|3,0,0]=4 473 B8R1.4 Cc1ccnc(n1)Cl TS00889 [0,1,0,0,0,0|3,0,0]=4 474 B8R1.4 Cc1ccnc(n1)N TS47413 [0,1,0,0,0,0|3,0,0]=4 475 B8R1.4 Cc1ccnc(n1)O TS01046 [0,1,0,0,0,0|2,1,0]=4 476 B8R1.4 Cc1ccnc(n1)S TS36140 [0,1,0,0,0,0|2,0,0]=3 477 B8R1.4 Cc1cncc(n1)Br TS08370 [0,1,0,0,0,0|3,0,0]=4 478 B8R1.4 Cc1cncc(n1)C TS31775 [0,1,0,0,0,0|3,0,0]=4 479 B8R1.4 Cc1cncc(n1)Cl TS00934 [0,1,0,0,0,0|3,0,0]=4 480 B8R1.4 Cc1cncc(n1)N TS01269 [0,1,0,0,0,0|3,0,0]=4 481 B8R1.4 Cc1cncc(n1)O TS01059 [0,1,0,0,0,0|2,1,0]=4 482 B8R1.4 Cc1nccc(n1)Cl TS71022 [0,1,0,0,0,0|3,0,0]=4 483 B8R1.4 Cc1nccc(n1)O TS03106 [0,1,0,0,0,0|2,1,0]=4 484 B8R1.4 c1c([nH]cnc1=O)S TS05324 [0,1,0,0,0,0|2,0,0]=3 485 B8R1.4 c1c(cn[nH]c1=O)I TS87733 [0,1,0,0,0,0|2,1,0]=4 486 B8R1.4 c1c(cn[nH]c1=O)N TS87794 [0,1,0,0,0,0|2,1,0]=4 487 B8R1.4 c1c(cncc1Br)Br TS02580 [0,1,0,0,0,0|2,0,0]=3 488 B8R1.4 c1c(cncc1Br)Cl TS85436 [0,1,0,0,0,0|2,0,0]=3 489 B8R1.4 c1c(cncc1Br)F TS16987 [0,1,0,0,0,0|2,0,0]=3 490 B8R1.4 c1c(cncc1Br)N TS09813 [0,1,0,0,0,0|2,0,0]=3 491 B8R1.4 c1c(cncc1Br)O TS65929 [0,1,0,0,0,0|1,1,0]=3 492 B8R1.4 c1c(cncc1Cl)Cl TS65794 [0,1,0,0,0,0|2,0,0]=3 493 B8R1.4 c1c(cncc1Cl)F TS65996 [0,1,0,0,0,0|2,0,0]=3 494 B8R1.4 c1c(cncc1Cl)N TS02649 [0,1,0,0,0,0|2,0,0]=3 495 B8R1.4 c1c(cncc1Cl)O TS03267 [0,1,0,0,0,0|1,1,0]=3 496 B8R1.4 c1c(cncc1F)N TS16742 [0,1,0,0,0,0|2,0,0]=3 497 B8R1.4 c1c(cncc1F)N TS85434 [0,1,0,0,0,0|2,0,0]=3 498 B8R1.4 c1c(cncc1F)O TS70584 [0,1,0,0,0,0|1,1,0]=3 499 B8R1.4 c1c(cncc1I)Br TS65930 [0,1,0,0,0,0|2,0,0]=3 500 B8R1.4 c1c(cncc1I)Cl TS57281 [0,1,0,0,0,0|2,0,0]=3 501 B8R1.4 c1c(cncc1I)F TS50246 [0,1,0,0,0,0|2,0,0]=3 502 B8R1.4 c1c(cncc1I)I TS87998 [0,1,0,0,0,0|2,0,0]=3 503 B8R1.4 c1c(cncc1I)N TS02651 [0,1,0,0,0,0|2,0,0]=3 504 B8R1.4 c1c(cncc1N)N TS02192 [0,1,0,0,0,0|2,0,0]=3 505 B8R1.4 c1c(cncc1O)N TS31814 [0,1,0,0,0,0|1,1,0]=3 506 B8R1.4 c1c(cncc1O)O TS02592 [0,1,0,0,0,0|1,1,0]=3 507 B8R1.4 c1c(cnnc1Cl)Cl TS65792 [0,1,0,0,0,0|3,0,0]=4 508 B8R1.4 c1c(cnnc1Cl)N TS88200 [0,1,0,0,0,0|3,0,0]=4 509 B8R1.4 c1c(cnnc1N)Cl TS86851 [0,1,0,0,0,0|3,0,0]=4 510 B8R1.4 c1c(nc(cn1)Br)Cl TS85131 [0,1,0,0,0,0|3,0,0]=4 511 B8R1.4 c1c(nc(cn1)Br)F TS13949 [0,1,0,0,0,0|3,0,0]=4 512 B8R1.4 c1c(nc(cn1)Cl)Cl TS34637 [0,1,0,0,0,0|3,0,0]=4 513 B8R1.4 c1c(nc(cn1)Cl)N TS00803 [0,1,0,0,0,0|3,0,0]=4 514 B8R1.4 c1c(ncnc1Br)Br TS70823 [0,1,0,0,0,0|3,0,0]=4 515 B8R1.4 c1c(ncnc1Cl)Cl TS02916 [0,1,0,0,0,0|3,0,0]=4 516 B8R1.4 c1c(ncnc1Cl)N TS70900 [0,1,0,0,0,0|3,0,0]=4 517 B8R1.4 c1c(ncnc1Cl)O TS08422 [0,1,0,0,0,0|2,1,0]=4 518 B8R1.4 c1c(ncnc1F)F TS04569 [0,1,0,0,0,0|3,0,0]=4 519 B8R1.4 c1c(ncnc1I)I TS02929 [0,1,0,0,0,0|3,0,0]=4 520 B8R1.4 c1c(ncnc1N)N TS70822 [0,1,0,0,0,0|3,0,0]=4 521 B8R1.4 c1c(ncnc1O)O TS70839 [0,1,0,0,0,0|2,1,0]=4 522 B8R1.4 c1c[nH]c(=O)[nH]c1=O TS04273 [0,1,0,0,0,0|2,1,0]=4 523 B8R1.4 c1c[nH]c(=O)[nH]c1=O TS04421 [0,1,0,0,0,0|2,1,0]=4 524 B8R1.4 c1c[nH]c(=O)nc1N TS01407 [0,1,0,0,0,0|2,1,0]=4 525 B8R1.4 c1c[nH]c(=S)[nH]c1=O TS65665 [0,1,0,0,0,0|2,0,1]=4 526 B8R1.4 c1c[nH]c(=S)[nH]c1=O TS93289 [0,1,0,0,0,0|2,0,1]=4 527 B8R1.4 c1c[nH]c(=S)[nH]c1=S TS07015 [0,1,0,0,0,0|2,0,1]=4 528 B8R1.4 c1cc(cc(c1)Br)Br TS46796 [0,1,0,0,0,0|1,0,0]=2 529 B8R1.4 c1cc(cc(c1)Br)Cl TS00027 [0,1,0,0,0,0|1,0,0]=2 530 B8R1.4 c1cc(cc(c1)Br)F TS65943 [0,1,0,0,0,0|1,0,0]=2 531 B8R1.4 c1cc(cc(c1)Br)N TS60009 [0,1,0,0,0,0|1,0,0]=2 532 B8R1.4 c1cc(cc(c1)Br)O TS65958 [0,1,0,0,0,0|0,1,0]=2 533 B8R1.4 c1cc(cc(c1)Br)S TS09503 [0,1,0,0,0,0|0,0,0]=1 534 B8R1.4 c1cc(cc(c1)Cl)Cl TS59887 [0,1,0,0,0,0|1,0,0]=2 535 B8R1.4 c1cc(cc(c1)Cl)F TS08691 [0,1,0,0,0,0|1,0,0]=2 536 B8R1.4 c1cc(cc(c1)Cl)N TS02027 [0,1,0,0,0,0|1,0,0]=2 537 B8R1.4 c1cc(cc(c1)Cl)N TS42658 [0,1,0,0,0,0|1,0,0]=2 538 B8R1.4 c1cc(cc(c1)Cl)O TS02721 [0,1,0,0,0,0|0,1,0]=2 539 B8R1.4 c1cc(cc(c1)Cl)S TS07051 [0,1,0,0,0,0|0,0,0]=1 540 B8R1.4 c1cc(cc(c1)F)F TS07881 [0,1,0,0,0,0|1,0,0]=2 541 B8R1.4 c1cc(cc(c1)F)N TS07389 [0,1,0,0,0,0|1,0,0]=2 542 B8R1.4 c1cc(cc(c1)F)N TS70590 [0,1,0,0,0,0|1,0,0]=2 543 B8R1.4 c1cc(cc(c1)F)O TS70601 [0,1,0,0,0,0|0,1,0]=2 544 B8R1.4 c1cc(cc(c1)I)Br TS46926 [0,1,0,0,0,0|1,0,0]=2 545 B8R1.4 c1cc(cc(c1)I)Cl TS26262 [0,1,0,0,0,0|1,0,0]=2 546 B8R1.4 c1cc(cc(c1)I)F TS70597 [0,1,0,0,0,0|1,0,0]=2 547 B8R1.4 c1cc(cc(c1)I)I TS65281 [0,1,0,0,0,0|1,0,0]=2 548 B8R1.4 c1cc(cc(c1)I)N TS39444 [0,1,0,0,0,0|1,0,0]=2 549 B8R1.4 c1cc(cc(c1)I)O TS49693 [0,1,0,0,0,0|0,1,0]=2 550 B8R1.4 c1cc(cc(c1)N)N TS31777 [0,1,0,0,0,0|1,0,0]=2 551 B8R1.4 c1cc(cc(c1)N)N TS38980 [0,1,0,0,0,0|1,0,0]=2 552 B8R1.4 c1cc(cc(c1)N)N TS48030 [0,1,0,0,0,0|1,0,0]=2 553 B8R1.4 c1cc(cc(c1)O)N TS07147 [0,1,0,0,0,0|0,1,0]=2 554 B8R1.4 c1cc(cc(c1)O)N TS39704 [0,1,0,0,0,0|0,1,0]=2 555 B8R1.4 c1cc(cc(c1)O)O TS04191 [0,1,0,0,0,0|0,1,0]=2 556 B8R1.4 c1cc(cc(c1)S)F TS02772 [0,1,0,0,0,0|0,0,0]=1 557 B8R1.4 c1cc(cc(c1)S)N TS05107 [0,1,0,0,0,0|0,0,0]=1 558 B8R1.4 c1cc(cc(c1)S)O TS00159 [0,1,0,0,0,0|0,0,0]=1 559 B8R1.4 c1cc(cc(c1)S)S TS06771 [0,1,0,0,0,0|0,0,0]=1 560 B8R1.4 c1cc(cc(c1)[Zn+])Cl TS59236 [0,1,0,0,0,0|1,0,0]=2 561 B8R1.4 c1cc(cn(=O)c1)Br TS45713 [0,1,0,0,0,0|1,1,0]=3 562 B8R1.4 c1cc(cn(=O)c1)Cl TS05503 [0,1,0,0,0,0|1,1,0]=3 563 B8R1.4 c1cc(cn(=O)c1)F TS65086 [0,1,0,0,0,0|1,1,0]=3 564 B8R1.4 c1cc(cn(=O)c1)O TS04234 [0,1,0,0,0,0|1,1,0]=3 565 B8R1.4 c1cc(nc(c1)Br)Br TS00699 [0,1,0,0,0,0|2,0,0]=3 566 B8R1.4 c1cc(nc(c1)Br)Cl TS55142 [0,1,0,0,0,0|2,0,0]=3 567 B8R1.4 c1cc(nc(c1)Br)F TS08361 [0,1,0,0,0,0|2,0,0]=3 568 B8R1.4 c1cc(nc(c1)Br)N TS00798 [0,1,0,0,0,0|2,0,0]=3 569 B8R1.4 c1cc(nc(c1)Br)O TS08364 [0,1,0,0,0,0|1,1,0]=3 570 B8R1.4 c1cc(nc(c1)Cl)Cl TS34640 [0,1,0,0,0,0|2,0,0]=3 571 B8R1.4 c1cc(nc(c1)Cl)F TS55260 [0,1,0,0,0,0|2,0,0]=3 572 B8R1.4 c1cc(nc(c1)Cl)N TS00804 [0,1,0,0,0,0|2,0,0]=3 573 B8R1.4 c1cc(nc(c1)Cl)O TS55264 [0,1,0,0,0,0|1,1,0]=3 574 B8R1.4 c1cc(nc(c1)F)F TS47310 [0,1,0,0,0,0|2,0,0]=3 575 B8R1.4 c1cc(nc(c1)F)N TS00806 [0,1,0,0,0,0|2,0,0]=3 576 B8R1.4 c1cc(nc(c1)F)O TS32004 [0,1,0,0,0,0|1,1,0]=3 577 B8R1.4 c1cc(nc(c1)I)Br TS54680 [0,1,0,0,0,0|2,0,0]=3 578 B8R1.4 c1cc(nc(c1)I)Cl TS57280 [0,1,0,0,0,0|2,0,0]=3 579 B8R1.4 c1cc(nc(c1)I)I TS07928 [0,1,0,0,0,0|2,0,0]=3 580 B8R1.4 c1cc(nc(c1)I)N TS39789 [0,1,0,0,0,0|2,0,0]=3 581 B8R1.4 c1cc(nc(c1)N)N TS00686 [0,1,0,0,0,0|2,0,0]=3 582 B8R1.4 c1cc(nc(c1)N)N TS20354 [0,1,0,0,0,0|2,0,0]=3 583 B8R1.4 c1cc(nc(c1)O)N TS00808 [0,1,0,0,0,0|1,1,0]=3 584 B8R1.4 c1cc(nc(c1)O)O TS07388 [0,1,0,0,0,0|1,1,0]=3 585 B8R1.4 c1cc(nc(c1)O)O TS47313 [0,1,0,0,0,0|1,1,0]=3 586 B8R1.4 c1cc(nc(c1)S)S TS06879 [0,1,0,0,0,0|1,0,0]=2 587 B8R1.4 c1cnc([nH]c1=O)N TS47400 [0,1,0,0,0,0|2,1,0]=4 588 B8R1.4 c1cnc([nH]c1=O)N TS90232 [0,1,0,0,0,0|2,1,0]=4 589 B8R1.4 c1cnc(cc1Br)Br TS47198 [0,1,0,0,0,0|2,0,0]=3 590 B8R1.4 c1cnc(cc1Br)Cl TS85435 [0,1,0,0,0,0|2,0,0]=3 591 B8R1.4 c1cnc(cc1Br)F TS16945 [0,1,0,0,0,0|2,0,0]=3 592 B8R1.4 c1cnc(cc1Br)I TS54678 [0,1,0,0,0,0|2,0,0]=3 593 B8R1.4 c1cnc(cc1Br)N TS47392 [0,1,0,0,0,0|2,0,0]=3 594 B8R1.4 c1cnc(cc1Br)O TS70957 [0,1,0,0,0,0|1,1,0]=3 595 B8R1.4 c1cnc(cc1Cl)Br TS55100 [0,1,0,0,0,0|2,0,0]=3 596 B8R1.4 c1cnc(cc1Cl)Cl TS00617 [0,1,0,0,0,0|2,0,0]=3 597 B8R1.4 c1cnc(cc1Cl)Cl TS85445 [0,1,0,0,0,0|2,0,0]=3 598 B8R1.4 c1cnc(cc1Cl)F TS03044 [0,1,0,0,0,0|2,0,0]=3 599 B8R1.4 c1cnc(cc1Cl)N TS00747 [0,1,0,0,0,0|2,0,0]=3 600 B8R1.4 c1cnc(cc1Cl)O TS03047 [0,1,0,0,0,0|1,1,0]=3 601 B8R1.4 c1cnc(cc1F)Br TS08322 [0,1,0,0,0,0|2,0,0]=3 602 B8R1.4 c1cnc(cc1F)Cl TS55216 [0,1,0,0,0,0|2,0,0]=3 603 B8R1.4 c1cnc(cc1F)F TS47221 [0,1,0,0,0,0|2,0,0]=3 604 B8R1.4 c1cnc(cc1F)N TS00754 [0,1,0,0,0,0|2,0,0]=3 605 B8R1.4 c1cnc(cc1F)O TS32002 [0,1,0,0,0,0|1,1,0]=3 606 B8R1.4 c1cnc(cc1I)Br TS08326 [0,1,0,0,0,0|2,0,0]=3 607 B8R1.4 c1cnc(cc1I)Cl TS55222 [0,1,0,0,0,0|2,0,0]=3 608 B8R1.4 c1cnc(cc1I)F TS08421 [0,1,0,0,0,0|2,0,0]=3 609 B8R1.4 c1cnc(cc1I)I TS63698 [0,1,0,0,0,0|2,0,0]=3 610 B8R1.4 c1cnc(cc1I)N TS49694 [0,1,0,0,0,0|2,0,0]=3 611 B8R1.4 c1cnc(cc1N)Br TS70872 [0,1,0,0,0,0|2,0,0]=3 612 B8R1.4 c1cnc(cc1N)Cl TS75450 [0,1,0,0,0,0|2,0,0]=3 613 B8R1.4 c1cnc(cc1N)Cl TS89130 [0,1,0,0,0,0|2,0,0]=3 614 B8R1.4 c1cnc(cc1N)F TS01037 [0,1,0,0,0,0|2,0,0]=3 615 B8R1.4 c1cnc(cc1N)N TS59371 [0,1,0,0,0,0|2,0,0]=3 616 B8R1.4 c1cnc(cc1N)O TS02965 [0,1,0,0,0,0|1,1,0]=3 617 B8R1.4 c1cnc(cc1N)O TS86931 [0,1,0,0,0,0|1,1,0]=3 618 B8R1.4 c1cnc(cc1O)Br TS08324 [0,1,0,0,0,0|1,1,0]=3 619 B8R1.4 c1cnc(cc1O)Cl TS55220 [0,1,0,0,0,0|1,1,0]=3 620 B8R1.4 c1cnc(cc1O)F TS32003 [0,1,0,0,0,0|1,1,0]=3 621 B8R1.4 c1cnc(cc1O)N TS47399 [0,1,0,0,0,0|1,1,0]=3 622 B8R1.4 c1cnc(cc1O)O TS04243 [0,1,0,0,0,0|1,1,0]=3 623 B8R1.4 c1cnc(nc1Br)Br TS57012 [0,1,0,0,0,0|3,0,0]=4 624 B8R1.4 c1cnc(nc1Br)N TS86309 [0,1,0,0,0,0|3,0,0]=4 625 B8R1.4 c1cnc(nc1Cl)Cl TS00619 [0,1,0,0,0,0|3,0,0]=4 626 B8R1.4 c1cnc(nc1Cl)N TS00748 [0,1,0,0,0,0|3,0,0]=4 627 B8R1.4 c1cnc(nc1F)F TS32174 [0,1,0,0,0,0|3,0,0]=4 628 B8R1.4 c1cnc(nc1N)Cl TS02958 [0,1,0,0,0,0|3,0,0]=4 629 B8R1.4 c1cnc(nc1N)N TS31825 [0,1,0,0,0,0|3,0,0]=4 630 B8R1.4 c1cnc(nc1N)S TS05272 [0,1,0,0,0,0|2,0,0]=3 631 B8R1.4 c1cnc(nc1O)N TS04245 [0,1,0,0,0,0|2,1,0]=4 632 B8R1.4 c1cnc(nc1O)O TS39605 [0,1,0,0,0,0|2,1,0]=4 633 B8R1.5 C[n+]1ccccc1Cl TS08381 [0,1,0,0,0,0|2,0,0]=3 634 B8R1.5 C[n+]1ccccc1Cl TS20654 [0,1,0,0,0,0|2,0,0]=3 635 B8R1.5 Cc1c(cccn1)Br TS65908 [0,1,0,0,0,0|2,0,0]=3 636 B8R1.5 Cc1c(cccn1)Cl TS65978 [0,1,0,0,0,0|2,0,0]=3 637 B8R1.5 Cc1c(cccn1)F TS70573 [0,1,0,0,0,0|2,0,0]=3 638 B8R1.5 Cc1c(cccn1)I TS02809 [0,1,0,0,0,0|2,0,0]=3 639 B8R1.5 Cc1c(cccn1)N TS31778 [0,1,0,0,0,0|2,0,0]=3 640 B8R1.5 Cc1c(cccn1)O TS87617 [0,1,0,0,0,0|1,1,0]=3 641 B8R1.5 Cc1c(cncn1)Br TS17002 [0,1,0,0,0,0|3,0,0]=4 642 B8R1.5 Cc1c(cncn1)N TS03237 [0,1,0,0,0,0|3,0,0]=4 643 B8R1.5 Cc1c(nccn1)Br TS08309 [0,1,0,0,0,0|3,0,0]=4 644 B8R1.5 Cc1c(nccn1)C TS47169 [0,1,0,0,0,0|3,0,0]=4 645 B8R1.5 Cc1c(nccn1)Cl TS55202 [0,1,0,0,0,0|3,0,0]=4 646 B8R1.5 Cc1c(nccn1)I TS89593 [0,1,0,0,0,0|3,0,0]=4 647 B8R1.5 Cc1c(nccn1)N TS00719 [0,1,0,0,0,0|3,0,0]=4 648 B8R1.5 Cc1c(nccn1)O TS55386 [0,1,0,0,0,0|2,1,0]=4 649 B8R1.5 Cc1ccc[nH]c1=O TS55401 [0,1,0,0,0,0|1,1,0]=3 650 B8R1.5 Cc1cccc[n+]1C TS25681 [0,1,0,0,0,0|2,0,0]=3 651 B8R1.5 Cc1ccccc1Br TS00024 [0,1,0,0,0,0|1,0,0]=2 652 B8R1.5 Cc1ccccc1C TS04099 [0,1,0,0,0,0|1,0,0]=2 653 B8R1.5 Cc1ccccc1Cl TS36192 [0,1,0,0,0,0|1,0,0]=2 654 B8R1.5 Cc1ccccc1F TS31828 [0,1,0,0,0,0|1,0,0]=2 655 B8R1.5 Cc1ccccc1I TS49343 [0,1,0,0,0,0|1,0,0]=2 656 B8R1.5 Cc1ccccc1N TS40130 [0,1,0,0,0,0|1,0,0]=2 657 B8R1.5 Cc1ccccc1N TS46845 [0,1,0,0,0,0|1,0,0]=2 658 B8R1.5 Cc1ccccc1O TS31768 [0,1,0,0,0,0|0,1,0]=2 659 B8R1.5 Cc1ccccc1S TS05037 [0,1,0,0,0,0|0,0,0]=1 660 B8R1.5 Cc1ccccn1=O TS00106 [0,1,0,0,0,0|1,1,0]=3 661 B8R1.5 Cc1cccnc1Br TS08310 [0,1,0,0,0,0|2,0,0]=3 662 B8R1.5 Cc1cccnc1C TS07903 [0,1,0,0,0,0|2,0,0]=3 663 B8R1.5 Cc1cccnc1Cl TS55203 [0,1,0,0,0,0|2,0,0]=3 664 B8R1.5 Cc1cccnc1F TS08402 [0,1,0,0,0,0|2,0,0]=3 665 B8R1.5 Cc1cccnc1I TS01069 [0,1,0,0,0,0|2,0,0]=3 666 B8R1.5 Cc1cccnc1N TS00720 [0,1,0,0,0,0|2,0,0]=3 667 B8R1.5 Cc1cccnc1N TS01794 [0,1,0,0,0,0|2,0,0]=3 668 B8R1.5 Cc1cccnc1O TS31800 [0,1,0,0,0,0|1,1,0]=3 669 B8R1.5 Cc1cccnc1[Zn+] TS26092 [0,1,0,0,0,0|2,0,0]=3 670 B8R1.5 Cc1ccn[nH]c1=O TS70611 [0,1,0,0,0,0|2,1,0]=4 671 B8R1.5 Cc1ccncc1Br TS09458 [0,1,0,0,0,0|2,0,0]=3 672 B8R1.5 Cc1ccncc1C TS00124 [0,1,0,0,0,0|2,0,0]=3 673 B8R1.5 Cc1ccncc1Cl TS65986 [0,1,0,0,0,0|2,0,0]=3 674 B8R1.5 Cc1ccncc1F TS70582 [0,1,0,0,0,0|2,0,0]=3 675 B8R1.5 Cc1ccncc1N TS02641 [0,1,0,0,0,0|2,0,0]=3 676 B8R1.5 Cc1ccncc1O TS03183 [0,1,0,0,0,0|1,1,0]=3 677 B8R1.5 Cc1ccnnc1Cl TS02026 [0,1,0,0,0,0|3,0,0]=4 678 B8R1.5 Cc1cnccc1Br TS39326 [0,1,0,0,0,0|2,0,0]=3 679 B8R1.5 Cc1cnccc1Br TS88793 [0,1,0,0,0,0|2,0,0]=3 680 B8R1.5 Cc1cnccc1F TS71122 [0,1,0,0,0,0|2,0,0]=3 681 B8R1.5 Cc1cnccc1N TS70892 [0,1,0,0,0,0|2,0,0]=3 682 B8R1.5 Cc1cnccc1O TS70666 [0,1,0,0,0,0|1,1,0]=3 683 B8R1.5 Cc1cncnc1Cl TS71045 [0,1,0,0,0,0|3,0,0]=4 684 B8R1.5 Cc1cncnc1O TS59515 [0,1,0,0,0,0|2,1,0]=4 685 B8R1.5 Cn1ccccc1=O TS31799 [0,1,0,0,0,0|1,1,0]=3 686 B8R1.5 Cn1ccccc1=S TS05102 [0,1,0,0,0,0|1,0,1]=3 687 B8R1.5 c1c(c(=O)nc[nH]1)O TS03331 [0,1,0,0,0,0|2,1,0]=4 688 B8R1.5 c1c(c(ncn1)Br)F TS13948 [0,1,0,0,0,0|3,0,0]=4 689 B8R1.5 c1c(c(ncn1)Cl)Br TS86680 [0,1,0,0,0,0|3,0,0]=4 690 B8R1.5 c1c(c(ncn1)Cl)Cl TS02902 [0,1,0,0,0,0|3,0,0]=4 691 B8R1.5 c1c(c(ncn1)Cl)I TS71042 [0,1,0,0,0,0|3,0,0]=4 692 B8R1.5 c1c(c(ncn1)Cl)N TS03235 [0,1,0,0,0,0|3,0,0]=4 693 B8R1.5 c1c(c(ncn1)I)Br TS85773 [0,1,0,0,0,0|3,0,0]=4 694 B8R1.5 c1c(c(ncn1)N)Br TS02982 [0,1,0,0,0,0|3,0,0]=4 695 B8R1.5 c1c(c(ncn1)N)N TS02893 [0,1,0,0,0,0|3,0,0]=4 696 B8R1.5 c1c(c(ncn1)O)Br TS91053 [0,1,0,0,0,0|2,1,0]=4 697 B8R1.5 c1c(c(ncn1)O)Cl TS86679 [0,1,0,0,0,0|2,1,0]=4 698 B8R1.5 c1c(c(ncn1)O)F TS03316 [0,1,0,0,0,0|2,1,0]=4 699 B8R1.5 c1c(c(ncn1)O)I TS91520 [0,1,0,0,0,0|2,1,0]=4 700 B8R1.5 c1c[nH]cc(c1=O)I TS23215 [0,1,0,0,0,0|1,1,0]=3 701 B8R1.5 c1cc(c(=O)oc1)O TS00155 [0,1,0,0,0,0|1,1,0]=3 702 B8R1.5 c1cc(c(=S)[nH]c1)N TS36142 [0,1,0,0,0,0|1,0,1]=3 703 B8R1.5 c1cc(c(nc1)Br)Br TS47142 [0,1,0,0,0,0|2,0,0]=3 704 B8R1.5 c1cc(c(nc1)Br)Cl TS08294 [0,1,0,0,0,0|2,0,0]=3 705 B8R1.5 c1cc(c(nc1)Br)F TS08302 [0,1,0,0,0,0|2,0,0]=3 706 B8R1.5 c1cc(c(nc1)Br)N TS02623 [0,1,0,0,0,0|2,0,0]=3 707 B8R1.5 c1cc(c(nc1)Br)N TS20796 [0,1,0,0,0,0|2,0,0]=3 708 B8R1.5 c1cc(c(nc1)Br)O TS08304 [0,1,0,0,0,0|1,1,0]=3 709 B8R1.5 c1cc(c(nc1)Cl)Br TS16857 [0,1,0,0,0,0|2,0,0]=3 710 B8R1.5 c1cc(c(nc1)Cl)Cl TS47154 [0,1,0,0,0,0|2,0,0]=3 711 B8R1.5 c1cc(c(nc1)Cl)F TS55193 [0,1,0,0,0,0|2,0,0]=3 712 B8R1.5 c1cc(c(nc1)Cl)I TS55194 [0,1,0,0,0,0|2,0,0]=3 713 B8R1.5 c1cc(c(nc1)Cl)N TS88773 [0,1,0,0,0,0|2,0,0]=3 714 B8R1.5 c1cc(c(nc1)Cl)O TS05504 [0,1,0,0,0,0|1,1,0]=3 715 B8R1.5 c1cc(c(nc1)F)Br TS16866 [0,1,0,0,0,0|2,0,0]=3 716 B8R1.5 c1cc(c(nc1)F)Cl TS65972 [0,1,0,0,0,0|2,0,0]=3 717 B8R1.5 c1cc(c(nc1)F)F TS00561 [0,1,0,0,0,0|2,0,0]=3 718 B8R1.5 c1cc(c(nc1)F)I TS55327 [0,1,0,0,0,0|2,0,0]=3 719 B8R1.5 c1cc(c(nc1)F)N TS02630 [0,1,0,0,0,0|2,0,0]=3 720 B8R1.5 c1cc(c(nc1)F)N TS40702 [0,1,0,0,0,0|2,0,0]=3 721 B8R1.5 c1cc(c(nc1)F)O TS55326 [0,1,0,0,0,0|1,1,0]=3 722 B8R1.5 c1cc(c(nc1)I)Cl TS57282 [0,1,0,0,0,0|2,0,0]=3 723 B8R1.5 c1cc(c(nc1)I)F TS70569 [0,1,0,0,0,0|2,0,0]=3 724 B8R1.5 c1cc(c(nc1)I)I TS63699 [0,1,0,0,0,0|2,0,0]=3 725 B8R1.5 c1cc(c(nc1)I)N TS02634 [0,1,0,0,0,0|2,0,0]=3 726 B8R1.5 c1cc(c(nc1)I)O TS01068 [0,1,0,0,0,0|1,1,0]=3 727 B8R1.5 c1cc(c(nc1)N)Br TS08286 [0,1,0,0,0,0|2,0,0]=3 728 B8R1.5 c1cc(c(nc1)N)Cl TS47358 [0,1,0,0,0,0|2,0,0]=3 729 B8R1.5 c1cc(c(nc1)N)F TS47362 [0,1,0,0,0,0|2,0,0]=3 730 B8R1.5 c1cc(c(nc1)N)I TS47370 [0,1,0,0,0,0|2,0,0]=3 731 B8R1.5 c1cc(c(nc1)N)N TS00550 [0,1,0,0,0,0|2,0,0]=3 732 B8R1.5 c1cc(c(nc1)N)O TS07282 [0,1,0,0,0,0|1,1,0]=3 733 B8R1.5 c1cc(c(nc1)N)O TS47366 [0,1,0,0,0,0|1,1,0]=3 734 B8R1.5 c1cc(c(nc1)N)S TS36141 [0,1,0,0,0,0|1,0,0]=2 735 B8R1.5 c1cc(c(nc1)O)Br TS09496 [0,1,0,0,0,0|1,1,0]=3 736 B8R1.5 c1cc(c(nc1)O)Cl TS65974 [0,1,0,0,0,0|1,1,0]=3 737 B8R1.5 c1cc(c(nc1)O)F TS70564 [0,1,0,0,0,0|1,1,0]=3 738 B8R1.5 c1cc(c(nc1)O)N TS31820 [0,1,0,0,0,0|1,1,0]=3 739 B8R1.5 c1cc(c(nc1)O)O TS04242 [0,1,0,0,0,0|1,1,0]=3 740 B8R1.5 c1cc(c(nc1)S)O TS05265 [0,1,0,0,0,0|1,0,0]=2 741 B8R1.5 c1cc[n+](c(c1)O)[O-] TS93221 [0,1,0,0,0,0|1,1,0]=3 742 B8R1.5 c1cc[n+](c(c1)S)[O-] TS93094 [0,1,0,0,0,0|1,0,0]=2 743 B8R1.5 c1ccc(c(c1)Br)Br TS46780 [0,1,0,0,0,0|1,0,0]=2 744 B8R1.5 c1ccc(c(c1)Br)I TS65287 [0,1,0,0,0,0|1,0,0]=2 745 B8R1.5 c1ccc(c(c1)Cl)Br TS00021 [0,1,0,0,0,0|1,0,0]=2 746 B8R1.5 c1ccc(c(c1)Cl)Cl TS40486 [0,1,0,0,0,0|1,0,0]=2 747 B8R1.5 c1ccc(c(c1)Cl)I TS26261 [0,1,0,0,0,0|1,0,0]=2 748 B8R1.5 c1ccc(c(c1)Cl)[Zn+] TS59237 [0,1,0,0,0,0|1,0,0]=2 749 B8R1.5 c1ccc(c(c1)F)Br TS46916 [0,1,0,0,0,0|1,0,0]=2 750 B8R1.5 c1ccc(c(c1)F)Cl TS02147 [0,1,0,0,0,0|1,0,0]=2 751 B8R1.5 c1ccc(c(c1)F)F TS07875 [0,1,0,0,0,0|1,0,0]=2 752 B8R1.5 c1ccc(c(c1)F)I TS65430 [0,1,0,0,0,0|1,0,0]=2 753 B8R1.5 c1ccc(c(c1)F)S TS46406 [0,1,0,0,0,0|0,0,0]=1 754 B8R1.5 c1ccc(c(c1)I)I TS65275 [0,1,0,0,0,0|1,0,0]=2 755 B8R1.5 c1ccc(c(c1)N)Br TS20655 [0,1,0,0,0,0|1,0,0]=2 756 B8R1.5 c1ccc(c(c1)N)Br TS55149 [0,1,0,0,0,0|1,0,0]=2 757 B8R1.5 c1ccc(c(c1)N)F TS39663 [0,1,0,0,0,0|1,0,0]=2 758 B8R1.5 c1ccc(c(c1)N)I TS01078 [0,1,0,0,0,0|1,0,0]=2 759 B8R1.5 c1ccc(c(c1)N)N TS31770 [0,1,0,0,0,0|1,0,0]=2 760 B8R1.5 c1ccc(c(c1)N)N TS38979 [0,1,0,0,0,0|1,0,0]=2 761 B8R1.5 c1ccc(c(c1)N)N TS48029 [0,1,0,0,0,0|1,0,0]=2 762 B8R1.5 c1ccc(c(c1)N)O TS00817 [0,1,0,0,0,0|0,1,0]=2 763 B8R1.5 c1ccc(c(c1)N)O TS07143 [0,1,0,0,0,0|0,1,0]=2 764 B8R1.5 c1ccc(c(c1)N)O TS76832 [0,1,0,0,0,0|0,1,0]=2 765 B8R1.5 c1ccc(c(c1)N)S TS47467 [0,1,0,0,0,0|0,0,0]=1 766 B8R1.5 c1ccc(c(c1)O)Br TS00855 [0,1,0,0,0,0|0,1,0]=2 767 B8R1.5 c1ccc(c(c1)O)Cl TS36378 [0,1,0,0,0,0|0,1,0]=2 768 B8R1.5 c1ccc(c(c1)O)F TS04282 [0,1,0,0,0,0|0,1,0]=2 769 B8R1.5 c1ccc(c(c1)O)I TS49691 [0,1,0,0,0,0|0,1,0]=2 770 B8R1.5 c1ccc(c(c1)O)O TS01670 [0,1,0,0,0,0|0,1,0]=2 771 B8R1.5 c1ccc(c(c1)O)S TS36136 [0,1,0,0,0,0|0,0,0]=1 772 B8R1.5 c1ccc(c(c1)P)P TS06642 [0,1,0,0,0,0|1,0,0]=2 773 B8R1.5 c1ccc(c(c1)S)Br TS50856 [0,1,0,0,0,0|0,0,0]=1 774 B8R1.5 c1ccc(c(c1)S)Cl TS07050 [0,1,0,0,0,0|0,0,0]=1 775 B8R1.5 c1ccc(c(c1)S)S TS06772 [0,1,0,0,0,0|0,0,0]=1 776 B8R1.5 c1ccn(=O)c(c1)Br TS07709 [0,1,0,0,0,0|1,1,0]=3 777 B8R1.5 c1ccn(=O)c(c1)Br TS43892 [0,1,0,0,0,0|1,1,0]=3 778 B8R1.5 c1ccn(=O)c(c1)Cl TS42984 [0,1,0,0,0,0|1,1,0]=3 779 B8R1.5 c1ccn(=O)c(c1)Cl TS85343 [0,1,0,0,0,0|1,1,0]=3 780 B8R1.5 c1ccn(=O)c(c1)N TS04192 [0,1,0,0,0,0|1,1,0]=3 781 B8R1.5 c1ccn(=O)c(c1)O TS04239 [0,1,0,0,0,0|1,1,0]=3 782 B8R1.5 c1ccn(=O)c(c1)[S-] TS07545 [0,1,0,0,0,0|1,0,1]=3 783 B8R1.5 c1cn[nH]c(=O)c1Cl TS90743 [0,1,0,0,0,0|2,1,0]=4 784 B8R1.5 c1cnc(c(n1)Cl)Cl TS47153 [0,1,0,0,0,0|3,0,0]=4 785 B8R1.5 c1cnc(c(n1)N)Br TS08285 [0,1,0,0,0,0|3,0,0]=4 786 B8R1.5 c1cnc(c(n1)N)Cl TS05505 [0,1,0,0,0,0|3,0,0]=4 787 B8R1.5 c1cnc(c(n1)N)N TS00549 [0,1,0,0,0,0|3,0,0]=4 788 B8R1.5 c1cnc(c(n1)O)O TS04272 [0,1,0,0,0,0|2,1,0]=4 789 B8R1.5 c1cncc(c1Br)Br TS02534 [0,1,0,0,0,0|2,0,0]=3 790 B8R1.5 c1cncc(c1Br)Cl TS09572 [0,1,0,0,0,0|2,0,0]=3 791 B8R1.5 c1cncc(c1Br)F TS88832 [0,1,0,0,0,0|2,0,0]=3 792 B8R1.5 c1cncc(c1Br)I TS54679 [0,1,0,0,0,0|2,0,0]=3 793 B8R1.5 c1cncc(c1Br)N TS65852 [0,1,0,0,0,0|2,0,0]=3 794 B8R1.5 c1cncc(c1Br)O TS09582 [0,1,0,0,0,0|1,1,0]=3 795 B8R1.5 c1cncc(c1Cl)Br TS52758 [0,1,0,0,0,0|2,0,0]=3 796 B8R1.5 c1cncc(c1Cl)Br TS65918 [0,1,0,0,0,0|2,0,0]=3 797 B8R1.5 c1cncc(c1Cl)Cl TS15363 [0,1,0,0,0,0|2,0,0]=3 798 B8R1.5 c1cncc(c1Cl)Cl TS65745 [0,1,0,0,0,0|2,0,0]=3 799 B8R1.5 c1cncc(c1Cl)I TS57279 [0,1,0,0,0,0|2,0,0]=3 800 B8R1.5 c1cncc(c1Cl)N TS65854 [0,1,0,0,0,0|2,0,0]=3 801 B8R1.5 c1cncc(c1Cl)O TS09640 [0,1,0,0,0,0|1,1,0]=3 802 B8R1.5 c1cncc(c1F)Br TS09450 [0,1,0,0,0,0|2,0,0]=3 803 B8R1.5 c1cncc(c1F)Cl TS36634 [0,1,0,0,0,0|2,0,0]=3 804 B8R1.5 c1cncc(c1F)F TS32143 [0,1,0,0,0,0|2,0,0]=3 805 B8R1.5 c1cncc(c1I)Cl TS02697 [0,1,0,0,0,0|2,0,0]=3 806 B8R1.5 c1cncc(c1I)Cl TS85392 [0,1,0,0,0,0|2,0,0]=3 807 B8R1.5 c1cncc(c1I)F TS50244 [0,1,0,0,0,0|2,0,0]=3 808 B8R1.5 c1cncc(c1I)N TS09721 [0,1,0,0,0,0|2,0,0]=3 809 B8R1.5 c1cncc(c1I)N TS88838 [0,1,0,0,0,0|2,0,0]=3 810 B8R1.5 c1cncc(c1N)F TS70882 [0,1,0,0,0,0|2,0,0]=3 811 B8R1.5 c1cncc(c1N)F TS85432 [0,1,0,0,0,0|2,0,0]=3 812 B8R1.5 c1cncc(c1N)I TS70887 [0,1,0,0,0,0|2,0,0]=3 813 B8R1.5 c1cncc(c1N)N TS02530 [0,1,0,0,0,0|2,0,0]=3 814 B8R1.5 c1cncc(c1O)Br TS09465 [0,1,0,0,0,0|1,1,0]=3 815 B8R1.5 c1cncc(c1O)Cl TS02695 [0,1,0,0,0,0|1,1,0]=3 816 B8R1.5 c1cncc(c1O)F TS02748 [0,1,0,0,0,0|1,1,0]=3 817 B8R1.5 c1cncc(c1O)N TS65860 [0,1,0,0,0,0|1,1,0]=3 818 B8R1.5 c1cncc(c1O)O TS59374 [0,1,0,0,0,0|1,1,0]=3 819 B8R1.5 c1cnnc(c1Cl)Cl TS90584 [0,1,0,0,0,0|3,0,0]=4 820 B6R0.1 C=CC(=O)OC=C TS03768 [0,0,1,0,0,0|1,1,0]=3 821 B6R0.1 C=CCC(C=C)O TS31423 [0,0,1,0,0,0|0,1,2]=4 822 B6R0.1 CC(CC=C)C=C TS31383 [0,0,1,0,0,0|1,0,2]=4 823 B6R0.1 CC=C(C)CC=C TS03736 [0,0,1,0,0,0|1,0,2]=4 824 B6R0.1 CC=CC(=CC)C TS31385 [0,0,1,0,0,0|1,0,2]=4 825 B6R0.4 C=CC=CC(=O)O TS03760 [0,0,1,0,0,0|1,1,0]=3 826 B6R0.4 CC(=C)CCC=C TS03725 [0,0,1,0,0,0|1,0,2]=4 827 B6R0.4 CC(=CCC=C)C TS03719 [0,0,1,0,0,0|1,0,2]=4 828 B6R0.4 CC(C)C=CC=C TS31391 [0,0,1,0,0,0|1,0,2]=4 829 B6R0.6 C(=CC=O)C=CBr TS11348 [0,0,1,0,0,0|1,1,0]=3 830 B6R0.6 CC=CC=CC#N TS71880 [0,0,1,0,0,0|1,0,2]=4 831 B6R0.6 CC=CC=CC=O TS31368 [0,0,1,0,0,0|0,1,1]=3 832 B6R0.6 CC=CC=CCO TS31427 [0,0,1,0,0,0|0,1,2]=4 833 B8R2.25 c1ccc2c(c1)C2 TS71846 [0,0,0,1,0,0|1,0,0]=2 834 B8R2.34 C1C2C=CC1C=C2 TS58948 [0,0,0,1,0,0|1,0,2]=4 835 B8R2.34 C1C2C=CC1C=C2 TS71860 [0,0,0,1,0,0|1,0,2]=4 836 B6R1.2 C1=CC(C=C1)[Hf+3] TS64701 [0,0,0,0,1,0|1,0,1]=3 837 B6R1.2 C1=CC(C=C1)[Nb+4] TS74559 [0,0,0,0,1,0|1,0,1]=3 838 B6R1.2 C1=CC(C=C1)[Ti+3] TS22641 [0,0,0,0,1,0|1,0,1]=3 839 B6R1.2 C1=CC(C=C1)[Zr+3] TS29852 [0,0,0,0,1,0|1,0,1]=3 840 B6R1.2 C1=CN=NC1=O TS03479 [0,0,0,0,1,0|2,1,0]=4 841 B6R1.2 C1C=CC(=O)N1 TS71697 [0,0,0,0,1,0|1,1,1]=4 842 B6R1.2 C1C=CC(=O)O1 TS03476 [0,0,0,0,1,0|1,1,1]=4 843 B6R1.2 C1C=CCC1=O TS03462 [0,0,0,0,1,0|0,1,2]=4 844 B6R1.2 C1CC(=O)C=C1 TS00977 [0,0,0,0,1,0|0,1,2]=4 845 B6R1.2 Cc1[nH]ccn1 TS59974 [0,0,0,0,1,0|3,0,0]=4 846 B6R1.2 Cc1c[nH]cn1 TS03464 [0,0,0,0,1,0|3,0,0]=4 847 B6R1.2 Cc1c[nH]nc1 TS04770 [0,0,0,0,1,0|3,0,0]=4 848 B6R1.2 Cc1c[nH]nc1 TS71226 [0,0,0,0,1,0|3,0,0]=4 849 B6R1.2 Cc1cc[nH]c1 TS70679 [0,0,0,0,1,0|2,0,0]=3 850 B6R1.2 Cc1cc[nH]n1 TS70653 [0,0,0,0,1,0|3,0,0]=4 851 B6R1.2 Cc1ccco1 TS03463 [0,0,0,0,1,0|2,0,0]=3 852 B6R1.2 Cc1cccs1 TS65607 [0,0,0,0,1,0|2,0,0]=3 853 B6R1.2 Cc1ccno1 TS71696 [0,0,0,0,1,0|3,0,0]=4 854 B6R1.2 Cc1ccoc1 TS02846 [0,0,0,0,1,0|2,0,0]=3 855 B6R1.2 Cc1ccsc1 TS70682 [0,0,0,0,1,0|2,0,0]=3 856 B6R1.2 Cc1ccsn1 TS39717 [0,0,0,0,1,0|3,0,0]=4 857 B6R1.2 Cc1cncs1 TS33187 [0,0,0,0,1,0|3,0,0]=4 858 B6R1.2 Cc1cscn1 TS71246 [0,0,0,0,1,0|3,0,0]=4 859 B6R1.2 Cn1cccc1 TS03445 [0,0,0,0,1,0|2,0,0]=3 860 B6R1.2 Cn1cccn1 TS47002 [0,0,0,0,1,0|3,0,0]=4 861 B6R1.2 Cn1ccnc1 TS00490 [0,0,0,0,1,0|3,0,0]=4 862 B6R1.2 c1[nH]nc(n1)S TS59902 [0,0,0,0,1,0|3,0,0]=4 863 B6R1.2 c1c([nH]nn1)S TS32555 [0,0,0,0,1,0|3,0,0]=4 864 B6R1.2 c1c(cn[nH]1)Br TS70940 [0,0,0,0,1,0|3,0,0]=4 865 B6R1.2 c1c(cn[nH]1)Cl TS09689 [0,0,0,0,1,0|3,0,0]=4 866 B6R1.2 c1c(cn[nH]1)F TS03520 [0,0,0,0,1,0|3,0,0]=4 867 B6R1.2 c1c(cn[nH]1)I TS09720 [0,0,0,0,1,0|3,0,0]=4 868 B6R1.2 c1c(cn[nH]1)N TS70917 [0,0,0,0,1,0|3,0,0]=4 869 B6R1.2 c1c(cn[nH]1)N TS70918 [0,0,0,0,1,0|3,0,0]=4 870 B6R1.2 c1c(con1)N TS02997 [0,0,0,0,1,0|3,0,0]=4 871 B6R1.2 c1c(csn1)Br TS09610 [0,0,0,0,1,0|3,0,0]=4 872 B6R1.2 c1c(nc[nH]1)Br TS70938 [0,0,0,0,1,0|3,0,0]=4 873 B6R1.2 c1c(nc[nH]1)Cl TS01850 [0,0,0,0,1,0|3,0,0]=4 874 B6R1.2 c1c(nc[nH]1)F TS03521 [0,0,0,0,1,0|3,0,0]=4 875 B6R1.2 c1c(nc[nH]1)I TS94042 [0,0,0,0,1,0|3,0,0]=4 876 B6R1.2 c1c(ncs1)Br TS09617 [0,0,0,0,1,0|3,0,0]=4 877 B6R1.2 c1c(ncs1)Cl TS71080 [0,0,0,0,1,0|3,0,0]=4 878 B6R1.2 c1c(scn1)Br TS71467 [0,0,0,0,1,0|3,0,0]=4 879 B6R1.2 c1c(scn1)N TS55508 [0,0,0,0,1,0|3,0,0]=4 880 B6R1.2 c1c[nH]c(=O)[nH]1 TS03478 [0,0,0,0,1,0|2,1,0]=4 881 B6R1.2 c1c[nH]cc1Br TS40352 [0,0,0,0,1,0|2,0,0]=3 882 B6R1.2 c1c[nH]nc1Br TS09495 [0,0,0,0,1,0|3,0,0]=4 883 B6R1.2 c1c[nH]nc1N TS00451 [0,0,0,0,1,0|3,0,0]=4 884 B6R1.2 c1c[nH]nc1N TS94840 [0,0,0,0,1,0|3,0,0]=4 885 B6R1.2 c1cc(oc1)Br TS55169 [0,0,0,0,1,0|2,0,0]=3 886 B6R1.2 c1cc(sc1)Br TS55181 [0,0,0,0,1,0|2,0,0]=3 887 B6R1.2 c1cc(sc1)Cl TS04771 [0,0,0,0,1,0|2,0,0]=3 888 B6R1.2 c1cc(sc1)F TS01041 [0,0,0,0,1,0|2,0,0]=3 889 B6R1.2 c1cc(sc1)I TS07727 [0,0,0,0,1,0|2,0,0]=3 890 B6R1.2 c1cc(sc1)S TS39686 [0,0,0,0,1,0|1,0,0]=2 891 B6R1.2 c1cc(sc1)[Zn+] TS24604 [0,0,0,0,1,0|2,0,0]=3 892 B6R1.2 c1ccn(c1)N TS00391 [0,0,0,0,1,0|2,0,0]=3 893 B6R1.2 c1ccn(c1)N TS84904 [0,0,0,0,1,0|2,0,0]=3 894 B6R1.2 c1cn[nH]c1N TS55377 [0,0,0,0,1,0|3,0,0]=4 895 B6R1.2 c1cnc([nH]1)Br TS55170 [0,0,0,0,1,0|3,0,0]=4 896 B6R1.2 c1cnc([nH]1)Cl TS08380 [0,0,0,0,1,0|3,0,0]=4 897 B6R1.2 c1cnc([nH]1)F TS03522 [0,0,0,0,1,0|3,0,0]=4 898 B6R1.2 c1cnc([nH]1)N TS47471 [0,0,0,0,1,0|3,0,0]=4 899 B6R1.2 c1cnc([nH]1)N TS47472 [0,0,0,0,1,0|3,0,0]=4 900 B6R1.2 c1cnc([nH]1)S TS03856 [0,0,0,0,1,0|2,0,0]=3 901 B6R1.2 c1cnoc1N TS85224 [0,0,0,0,1,0|3,0,0]=4 902 B6R1.2 c1coc(=O)o1 TS16828 [0,0,0,0,1,0|2,1,0]=4 903 B6R1.2 c1coc(n1)I TS86803 [0,0,0,0,1,0|3,0,0]=4 904 B6R1.2 c1coc(n1)N TS00816 [0,0,0,0,1,0|3,0,0]=4 905 B6R1.2 c1cocc1Br TS65944 [0,0,0,0,1,0|2,0,0]=3 906 B6R1.2 c1conc1Br TS01843 [0,0,0,0,1,0|3,0,0]=4 907 B6R1.2 c1conc1Cl TS31649 [0,0,0,0,1,0|3,0,0]=4 908 B6R1.2 c1conc1N TS65834 [0,0,0,0,1,0|3,0,0]=4 909 B6R1.2 c1csc(=S)s1 TS36879 [0,0,0,0,1,0|2,0,1]=4 910 B6R1.2 c1csc(n1)Br TS55175 [0,0,0,0,1,0|3,0,0]=4 911 B6R1.2 c1csc(n1)Cl TS00969 [0,0,0,0,1,0|3,0,0]=4 912 B6R1.2 c1csc(n1)N TS06140 [0,0,0,0,1,0|3,0,0]=4 913 B6R1.2 c1csc(n1)N TS56047 [0,0,0,0,1,0|3,0,0]=4 914 B6R1.2 c1csc(n1)S TS32304 [0,0,0,0,1,0|2,0,0]=3 915 B6R1.2 c1csc(n1)[Zn+] TS24766 [0,0,0,0,1,0|3,0,0]=4 916 B6R1.2 c1cscc1Br TS09501 [0,0,0,0,1,0|2,0,0]=3 917 B6R1.2 c1cscc1Cl TS04772 [0,0,0,0,1,0|2,0,0]=3 918 B6R1.2 c1cscc1I TS70636 [0,0,0,0,1,0|2,0,0]=3 919 B6R1.2 c1cscc1N TS02675 [0,0,0,0,1,0|2,0,0]=3 920 B6R1.2 c1cscc1N TS88823 [0,0,0,0,1,0|2,0,0]=3 921 B6R1.2 c1cscc1S TS60165 [0,0,0,0,1,0|1,0,0]=2 922 B6R1.2 c1csnc1Br TS39302 [0,0,0,0,1,0|3,0,0]=4 923 B6R1.2 c1cssc1=S TS36878 [0,0,0,0,1,0|2,0,1]=4 924 B6R1.2 c1nnc(s1)S TS32352 [0,0,0,0,1,0|3,0,0]=4 925 B8R1.22 c1cccc(=O)cc1 TS04084 [0,0,0,0,0,1|0,1,0]=2 926 B5R0.1 CC(=CC=C)C TS03470 [1,0,1,0,0,0|1,0,1]=4 927 B5R0.2 C=CC=CC=C TS71670 [1,0,1,0,0,0|0,0,0]=2 928 B5R0.2 C=CCCC=C TS39876 [1,0,1,0,0,0|0,0,2]=4 929 B5R0.2 C=CCOC=C TS03491 [1,0,1,0,0,0|1,0,1]=4 930 B5R0.2 CC=CC=CC TS71681 [1,0,1,0,0,0|0,0,2]=4 931 B5R0.2 CC=CC=CC TS71684 [1,0,1,0,0,0|0,0,2]=4 932 B5R0.2 CCC=CC=C TS03467 [1,0,1,0,0,0|0,0,2]=4 933 B5R0.3 C=CC(C=C)O TS46814 [1,0,1,0,0,0|0,1,1]=4 934 B5R0.3 CC=C(C)C=C TS03466 [1,0,1,0,0,0|1,0,1]=4 935 B5R0.3 CC=C(C)C=C TS71680 [1,0,1,0,0,0|1,0,1]=4 936 B7R0.3 C=CCNC(=O)C=C TS31871 [0,1,1,0,0,0|0,1,1]=4 937 B7R0.3 C=CCOC(=O)C=C TS31905 [0,1,1,0,0,0|0,1,1]=4 938 B7R0.5 CC(=C)C(=O)OC=C TS31917 [0,1,1,0,0,0|1,1,0]=4 939 B7R0.7 CC=CC(=O)OC=C TS31901 [0,1,1,0,0,0|0,1,1]=4 940 B7R0.4 CC(=O)OC=CC=C TS31913 [0,1,1,0,0,0|0,1,1]=4 941 B7R0.4 CC=CC=CC(=O)C TS31841 [0,1,1,0,0,0|0,1,1]=4 942 B7R0.4 CC=CC=CC(=O)O TS31914 [0,1,1,0,0,0|1,1,0]=4 943 B7R0.4 CC=CC=CC(=O)[O-] TS09910 [0,1,1,0,0,0|1,1,0]=4 944 B7R0.4 CC=CC=CC(=O)[O-] TS29798 [0,1,1,0,0,0|1,1,0]=4 945 B7R0.1 C=CCCC=CC=C TS31784 [0,1,1,0,0,0|1,0,1]=4 946 B7R0.1 CCC=CC=CC=O TS04199 [0,1,1,0,0,0|0,1,1]=4 947 B7R1.1 C#Cc1cccs1 TS59968 [0,1,0,0,1,0|2,0,0]=4 948 B7R1.1 C#Cc1ccsc1 TS70562 [0,1,0,0,1,0|2,0,0]=4 949 B7R1.1 CCc1cc[nH]c1 TS03698 [0,1,0,0,1,0|2,0,0]=4 950 B7R1.1 CCc1ccc[nH]1 TS03700 [0,1,0,0,1,0|2,0,0]=4 951 B7R1.1 CCc1ccco1 TS31365 [0,1,0,0,1,0|2,0,0]=4 952 B7R1.1 CCc1cccs1 TS04335 [0,1,0,0,1,0|2,0,0]=4 953 B7R1.1 CCc1ccsc1 TS04333 [0,1,0,0,1,0|2,0,0]=4 954 B7R1.1 CCn1cccc1 TS03701 [0,1,0,0,1,0|2,0,0]=4 955 B7R1.1 COc1ccco1 TS03757 [0,1,0,0,1,0|1,1,0]=4 956 B7R1.1 COc1cccs1 TS39279 [0,1,0,0,1,0|1,1,0]=4 957 B7R1.1 COc1ccsc1 TS70649 [0,1,0,0,1,0|1,1,0]=4 958 B7R1.1 CSc1c[nH]cn1 TS04457 [0,1,0,0,1,0|2,0,0]=4 959 B7R1.1 CSc1cccs1 TS05614 [0,1,0,0,1,0|1,0,0]=3 960 B7R1.1 CSc1ccsc1 TS05615 [0,1,0,0,1,0|1,0,0]=3 961 B7R1.1 CSc1nccs1 TS36627 [0,1,0,0,1,0|2,0,0]=4 962 B7R1.1 c1c[nH]cc1C#N TS02038 [0,1,0,0,1,0|2,0,0]=4 963 B7R1.1 c1c[nH]cc1C=O TS00457 [0,1,0,0,1,0|1,1,0]=4 964 B7R1.1 c1cc([nH]c1)C#N TS01671 [0,1,0,0,1,0|2,0,0]=4 965 B7R1.1 c1cc([nH]c1)C=O TS01672 [0,1,0,0,1,0|1,1,0]=4 966 B7R1.1 c1cc([nH]c1)CN TS31377 [0,1,0,0,1,0|2,0,0]=4 967 B7R1.1 c1cc(oc1)C#N TS71874 [0,1,0,0,1,0|2,0,0]=4 968 B7R1.1 c1cc(oc1)C=O TS03712 [0,1,0,0,1,0|1,1,0]=4 969 B7R1.1 c1cc(oc1)CN TS03749 [0,1,0,0,1,0|2,0,0]=4 970 B7R1.1 c1cc(oc1)CO TS03766 [0,1,0,0,1,0|1,1,0]=4 971 B7R1.1 c1cc(oc1)CS TS32087 [0,1,0,0,1,0|1,0,0]=3 972 B7R1.1 c1cc(sc1)C#N TS65659 [0,1,0,0,1,0|2,0,0]=4 973 B7R1.1 c1cc(sc1)C=O TS65660 [0,1,0,0,1,0|1,1,0]=4 974 B7R1.1 c1cc(sc1)CCl TS01778 [0,1,0,0,1,0|2,0,0]=4 975 B7R1.1 c1cc(sc1)CN TS65663 [0,1,0,0,1,0|2,0,0]=4 976 B7R1.1 c1cc(sc1)CO TS32088 [0,1,0,0,1,0|1,1,0]=4 977 B7R1.1 c1cc(sc1)CS TS05613 [0,1,0,0,1,0|1,0,0]=3 978 B7R1.1 c1cc[c-](c1)C=O TS21602 [0,1,0,0,1,0|0,1,1]=4 979 B7R1.1 c1cocc1C=O TS02781 [0,1,0,0,1,0|1,1,0]=4 980 B7R1.1 c1cocc1CN TS31397 [0,1,0,0,1,0|2,0,0]=4 981 B7R1.1 c1cocc1CN TS36795 [0,1,0,0,1,0|2,0,0]=4 982 B7R1.1 c1cocc1CO TS02782 [0,1,0,0,1,0|1,1,0]=4 983 B7R1.1 c1cscc1C#N TS31806 [0,1,0,0,1,0|2,0,0]=4 984 B7R1.1 c1cscc1C=O TS70719 [0,1,0,0,1,0|1,1,0]=4 985 B7R1.1 c1cscc1CBr TS65954 [0,1,0,0,1,0|2,0,0]=4 986 B7R1.1 c1cscc1CCl TS36736 [0,1,0,0,1,0|2,0,0]=4 987 B7R1.1 c1cscc1CN TS86063 [0,1,0,0,1,0|2,0,0]=4 988 B7R1.1 c1cscc1CO TS70716 [0,1,0,0,1,0|1,1,0]=4 989 B7R1.2 C1=CC(=O)NC1=O TS56220 [0,1,0,0,1,0|1,1,0]=4 990 B7R1.2 C1=CC(=O)OC1=O TS03751 [0,1,0,0,1,0|1,1,0]=4 991 B7R1.2 Cc1cc([nH]c1)C TS00646 [0,1,0,0,1,0|2,0,0]=4 992 B7R1.2 Cc1cc(cs1)Br TS70964 [0,1,0,0,1,0|2,0,0]=4 993 B7R1.2 Cc1cc(sc1)C TS04334 [0,1,0,0,1,0|2,0,0]=4 994 B7R1.2 Cc1ccc([nH]1)C TS59928 [0,1,0,0,1,0|2,0,0]=4 995 B7R1.2 Cc1ccc(o1)C TS31370 [0,1,0,0,1,0|2,0,0]=4 996 B7R1.2 Cc1ccc(s1)Br TS55129 [0,1,0,0,1,0|2,0,0]=4 997 B7R1.2 Cc1ccc(s1)C TS04332 [0,1,0,0,1,0|2,0,0]=4 998 B7R1.2 Cc1ccc(s1)Cl TS00916 [0,1,0,0,1,0|2,0,0]=4 999 B7R1.2 Cc1ccc(s1)I TS23773 [0,1,0,0,1,0|2,0,0]=4 1000 B7R1.2 Cc1csc(n1)S TS36626 [0,1,0,0,1,0|2,0,0]=4 1001 B7R1.2 c1c(csc1Br)Br TS00598 [0,1,0,0,1,0|2,0,0]=4 1002 B7R1.2 c1c(csc1Cl)Br TS16934 [0,1,0,0,1,0|2,0,0]=4 1003 B7R1.2 c1c(csc1Cl)N TS86871 [0,1,0,0,1,0|2,0,0]=4 1004 B7R1.2 c1c(sc(n1)S)N TS05769 [0,1,0,0,1,0|2,0,0]=4 1005 B7R1.2 c1cc(oc1Br)Br TS52248 [0,1,0,0,1,0|2,0,0]=4 1006 B7R1.2 c1cc(sc1Br)Br TS39628 [0,1,0,0,1,0|2,0,0]=4 1007 B7R1.2 c1cc(sc1Cl)Br TS18509 [0,1,0,0,1,0|2,0,0]=4 1008 B7R1.2 c1cc(sc1Cl)Cl TS10273 [0,1,0,0,1,0|2,0,0]=4 1009 B7R1.2 c1cc(sc1Cl)[Zn+] TS68672 [0,1,0,0,1,0|2,0,0]=4 1010 B7R1.2 c1cc(sc1I)I TS63999 [0,1,0,0,1,0|2,0,0]=4 1011 B7R1.4 Cc1c(cco1)S TS32089 [0,1,0,0,1,0|1,0,0]=3 1012 B7R1.4 Cc1c(cco1)S TS41631 [0,1,0,0,1,0|1,0,0]=3 1013 B7R1.4 Cc1c(ccs1)S TS59980 [0,1,0,0,1,0|1,0,0]=3 1014 B7R1.4 Cc1c[nH]cc1C TS89902 [0,1,0,0,1,0|2,0,0]=4 1015 B7R1.4 Cc1ccoc1C TS31373 [0,1,0,0,1,0|2,0,0]=4 1016 B7R1.4 Cc1ccsc1Br TS08660 [0,1,0,0,1,0|2,0,0]=4 1017 B7R1.4 Cc1ccsc1C TS04331 [0,1,0,0,1,0|2,0,0]=4 1018 B7R1.4 Cc1ccsc1Cl TS36735 [0,1,0,0,1,0|2,0,0]=4 1019 B7R1.4 Cc1cscc1Br TS09459 [0,1,0,0,1,0|2,0,0]=4 1020 B7R1.4 Cc1cscc1C TS59997 [0,1,0,0,1,0|2,0,0]=4 1021 B7R1.4 Cn1ccnc1S TS60134 [0,1,0,0,1,0|2,0,0]=4 1022 B7R1.4 c1c(c(co1)Br)Br TS60314 [0,1,0,0,1,0|2,0,0]=4 1023 B7R1.4 c1c(c(cs1)Br)Br TS02535 [0,1,0,0,1,0|2,0,0]=4 1024 B7R1.4 c1c(c(cs1)N)N TS49028 [0,1,0,0,1,0|2,0,0]=4 1025 B7R1.4 c1c(c(cs1)O)O TS04574 [0,1,0,0,1,0|1,1,0]=4 1026 B7R1.4 c1coc(c1Br)Br TS52249 [0,1,0,0,1,0|2,0,0]=4 1027 B7R1.4 c1csc(c1Br)Br TS47143 [0,1,0,0,1,0|2,0,0]=4 1028 B7R1.4 c1csc(c1Br)Cl TS16859 [0,1,0,0,1,0|2,0,0]=4 1029 B7R1.4 c1csc(c1Cl)Cl TS10274 [0,1,0,0,1,0|2,0,0]=4 1030 B9R1.5 c1ccc(c(=O)cc1)O TS32491 [0,1,0,0,0,1|0,1,0]=3 1031 B9R1.89 C1=CC=CC(C=C1)C#N TS04677 [0,1,0,0,0,1|1,0,1]=4 1032 B9R1.1 C#Cc1ccc(cc1)Br TS39997 [0,2,0,0,0,0|1,0,0]=3 1033 B9R1.1 C#Cc1ccc(cc1)Cl TS46931 [0,2,0,0,0,0|1,0,0]=3 1034 B9R1.1 C#Cc1ccc(cc1)F TS07664 [0,2,0,0,0,0|1,0,0]=3 1035 B9R1.1 C#Cc1ccc(cc1)N TS04675 [0,2,0,0,0,0|1,0,0]=3 1036 B9R1.1 C#Cc1ccc(cc1)O TS71112 [0,2,0,0,0,0|0,1,0]=3 1037 B9R1.1 C#Cc1ccc(cn1)Br TS14869 [0,2,0,0,0,0|2,0,0]=4 1038 B9R1.1 C#Cc1ccc(cn1)F TS04857 [0,2,0,0,0,0|2,0,0]=4 1039 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [0,2,0,0,0,0|1,0,0]=3 1040 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [0,2,0,0,0,0|1,0,0]=3 1041 B9R1.1 C=Cc1ccc(cc1)F TS32505 [0,2,0,0,0,0|1,0,0]=3 1042 B9R1.1 C=Cc1ccc(cc1)N TS04791 [0,2,0,0,0,0|1,0,0]=3 1043 B9R1.1 C=Cc1ccc(cc1)O TS71308 [0,2,0,0,0,0|0,1,0]=3 1044 B9R1.1 CCc1ccc(cc1)Br TS01944 [0,2,0,0,0,0|1,0,0]=3 1045 B9R1.1 CCc1ccc(cc1)Cl TS37449 [0,2,0,0,0,0|1,0,0]=3 1046 B9R1.1 CCc1ccc(cc1)F TS05030 [0,2,0,0,0,0|1,0,0]=3 1047 B9R1.1 CCc1ccc(cc1)I TS25158 [0,2,0,0,0,0|1,0,0]=3 1048 B9R1.1 CCc1ccc(cc1)N TS04870 [0,2,0,0,0,0|1,0,0]=3 1049 B9R1.1 CCc1ccc(cc1)O TS04905 [0,2,0,0,0,0|0,1,0]=3 1050 B9R1.1 CCc1ccc(cc1)S TS06298 [0,2,0,0,0,0|0,0,0]=2 1051 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [0,2,0,0,0,0|1,0,0]=3 1052 B9R1.1 CCc1ccc(nc1)C TS32477 [0,2,0,0,0,0|2,0,0]=4 1053 B9R1.1 CCc1ccc(nc1)O TS04959 [0,2,0,0,0,0|1,1,0]=4 1054 B9R1.1 CNc1ccc(cc1)Br TS48830 [0,2,0,0,0,0|1,0,0]=3 1055 B9R1.1 CNc1ccc(cc1)Cl TS37534 [0,2,0,0,0,0|1,0,0]=3 1056 B9R1.1 CNc1ccc(cc1)F TS36055 [0,2,0,0,0,0|1,0,0]=3 1057 B9R1.1 CNc1ccc(cc1)I TS32640 [0,2,0,0,0,0|1,0,0]=3 1058 B9R1.1 CNc1ccc(cc1)N TS04921 [0,2,0,0,0,0|1,0,0]=3 1059 B9R1.1 CNc1ccc(cc1)N TS17998 [0,2,0,0,0,0|1,0,0]=3 1060 B9R1.1 CNc1ccc(cc1)O TS04963 [0,2,0,0,0,0|0,1,0]=3 1061 B9R1.1 CNc1ccc(cc1)O TS78698 [0,2,0,0,0,0|0,1,0]=3 1062 B9R1.1 CNc1ccc(nc1)Br TS49023 [0,2,0,0,0,0|2,0,0]=4 1063 B9R1.1 COc1ccc(cc1)Cl TS37682 [0,2,0,0,0,0|0,1,0]=3 1064 B9R1.1 COc1ccc(cc1)F TS32969 [0,2,0,0,0,0|0,1,0]=3 1065 B9R1.1 COc1ccc(cc1)I TS59516 [0,2,0,0,0,0|0,1,0]=3 1066 B9R1.1 COc1ccc(cc1)N TS01634 [0,2,0,0,0,0|0,1,0]=3 1067 B9R1.1 COc1ccc(cc1)N TS11193 [0,2,0,0,0,0|0,1,0]=3 1068 B9R1.1 COc1ccc(cc1)N TS93025 [0,2,0,0,0,0|0,1,0]=3 1069 B9R1.1 COc1ccc(cc1)O TS02083 [0,2,0,0,0,0|0,1,0]=3 1070 B9R1.1 COc1ccc(cc1)S TS06486 [0,2,0,0,0,0|0,0,0]=2 1071 B9R1.1 COc1ccc(cc1)[Zn+] TS74539 [0,2,0,0,0,0|0,1,0]=3 1072 B9R1.1 COc1ccc(cn1)Br TS09790 [0,2,0,0,0,0|1,1,0]=4 1073 B9R1.1 COc1ccc(cn1)Cl TS71503 [0,2,0,0,0,0|1,1,0]=4 1074 B9R1.1 COc1ccc(cn1)F TS71544 [0,2,0,0,0,0|1,1,0]=4 1075 B9R1.1 COc1ccc(cn1)I TS01075 [0,2,0,0,0,0|1,1,0]=4 1076 B9R1.1 COc1ccc(cn1)N TS05017 [0,2,0,0,0,0|1,1,0]=4 1077 B9R1.1 COc1ccc(cn1)O TS71568 [0,2,0,0,0,0|1,1,0]=4 1078 B9R1.1 COc1ccc(nc1)Br TS08354 [0,2,0,0,0,0|1,1,0]=4 1079 B9R1.1 COc1ccc(nc1)Cl TS00910 [0,2,0,0,0,0|1,1,0]=4 1080 B9R1.1 COc1ccc(nc1)N TS47440 [0,2,0,0,0,0|1,1,0]=4 1081 B9R1.1 COc1ccn(=O)cc1 TS71219 [0,2,0,0,0,0|1,1,0]=4 1082 B9R1.1 CSc1ccc(cc1)Br TS09618 [0,2,0,0,0,0|0,0,0]=2 1083 B9R1.1 CSc1ccc(cc1)Cl TS42001 [0,2,0,0,0,0|0,0,0]=2 1084 B9R1.1 CSc1ccc(cc1)F TS06687 [0,2,0,0,0,0|0,0,0]=2 1085 B9R1.1 CSc1ccc(cc1)I TS27986 [0,2,0,0,0,0|0,0,0]=2 1086 B9R1.1 CSc1ccc(cc1)N TS06394 [0,2,0,0,0,0|0,0,0]=2 1087 B9R1.1 CSc1ccc(cc1)O TS37396 [0,2,0,0,0,0|0,0,0]=2 1088 B9R1.1 CSc1ccc(cc1)S TS41710 [0,2,0,0,0,0|0,0,0]=2 1089 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [0,2,0,0,0,0|0,0,0]=2 1090 B9R1.1 CSc1ccc(cn1)Br TS71433 [0,2,0,0,0,0|1,0,0]=3 1091 B9R1.1 CSc1ccc(nc1)N TS37399 [0,2,0,0,0,0|1,0,0]=3 1092 B9R1.1 CSc1ncc(cn1)Br TS38756 [0,2,0,0,0,0|2,0,0]=4 1093 B9R1.1 C[n+]1ccc(cc1)C#N TS62240 [0,2,0,0,0,0|2,0,0]=4 1094 B9R1.1 Cc1ccc(cc1)C#C TS32874 [0,2,0,0,0,0|1,0,0]=3 1095 B9R1.1 Cc1ccc(cc1)C#N TS04679 [0,2,0,0,0,0|1,0,0]=3 1096 B9R1.1 Cc1ccc(cc1)C=C TS71237 [0,2,0,0,0,0|1,0,0]=3 1097 B9R1.1 Cc1ccc(cc1)C=O TS09079 [0,2,0,0,0,0|0,1,0]=3 1098 B9R1.1 Cc1ccc(cc1)CBr TS03170 [0,2,0,0,0,0|1,0,0]=3 1099 B9R1.1 Cc1ccc(cc1)CCl TS37455 [0,2,0,0,0,0|1,0,0]=3 1100 B9R1.1 Cc1ccc(cc1)CN TS32473 [0,2,0,0,0,0|1,0,0]=3 1101 B9R1.1 Cc1ccc(cc1)CO TS04902 [0,2,0,0,0,0|0,1,0]=3 1102 B9R1.1 Cc1ccc(cc1)CS TS06300 [0,2,0,0,0,0|0,0,0]=2 1103 B9R1.1 Cc1ccc(cc1)NC TS32470 [0,2,0,0,0,0|1,0,0]=3 1104 B9R1.1 Cc1ccc(cc1)NN TS01655 [0,2,0,0,0,0|1,0,0]=3 1105 B9R1.1 Cc1ccc(cc1)NN TS23082 [0,2,0,0,0,0|1,0,0]=3 1106 B9R1.1 Cc1ccc(cc1)OC TS04894 [0,2,0,0,0,0|0,1,0]=3 1107 B9R1.1 Cc1ccc(cc1)SC TS71244 [0,2,0,0,0,0|0,0,0]=2 1108 B9R1.1 Cc1ccc(cc1)[Hg]Cl TS77673 [0,2,0,0,0,0|1,0,0]=3 1109 B9R1.1 Cc1ccc(cc1)[Mg]Cl TS40955 [0,2,0,0,0,0|1,0,0]=3 1110 B9R1.1 Cc1ccc(cn1)C#N TS03281 [0,2,0,0,0,0|2,0,0]=4 1111 B9R1.1 Cc1ccc(cn1)C=C TS55464 [0,2,0,0,0,0|2,0,0]=4 1112 B9R1.1 Cc1ccc(cn1)C=O TS01266 [0,2,0,0,0,0|1,1,0]=4 1113 B9R1.1 Cc1ccc(cn1)CN TS88042 [0,2,0,0,0,0|2,0,0]=4 1114 B9R1.1 Cc1ccc(cn1)NN TS32994 [0,2,0,0,0,0|2,0,0]=4 1115 B9R1.1 Cc1ccc(cn1)NN TS94799 [0,2,0,0,0,0|2,0,0]=4 1116 B9R1.1 Cc1ccc(cn1)OC TS04979 [0,2,0,0,0,0|1,1,0]=4 1117 B9R1.1 Cc1ccc(nc1)C#N TS55297 [0,2,0,0,0,0|2,0,0]=4 1118 B9R1.1 Cc1ccc(nc1)C=O TS01160 [0,2,0,0,0,0|1,1,0]=4 1119 B9R1.1 Cc1ccc(nc1)CN TS08057 [0,2,0,0,0,0|2,0,0]=4 1120 B9R1.1 [C-]#[N+]c1ccc(cc1)Br TS14866 [0,2,0,0,0,0|1,0,0]=3 1121 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl TS37137 [0,2,0,0,0,0|1,0,0]=3 1122 B9R1.1 [C-]#[N+]c1ccc(cc1)F TS04858 [0,2,0,0,0,0|1,0,0]=3 1123 B9R1.1 c1cc(=O)[nH]cc1CN TS71378 [0,2,0,0,0,0|1,1,0]=4 1124 B9R1.1 c1cc(=O)[nH]cc1CO TS03336 [0,2,0,0,0,0|1,1,0]=4 1125 B9R1.1 c1cc(ccc1C#N)Br TS09595 [0,2,0,0,0,0|1,0,0]=3 1126 B9R1.1 c1cc(ccc1C#N)Cl TS33152 [0,2,0,0,0,0|1,0,0]=3 1127 B9R1.1 c1cc(ccc1C#N)F TS93132 [0,2,0,0,0,0|1,0,0]=3 1128 B9R1.1 c1cc(ccc1C#N)I TS09717 [0,2,0,0,0,0|1,0,0]=3 1129 B9R1.1 c1cc(ccc1C#N)N TS70912 [0,2,0,0,0,0|1,0,0]=3 1130 B9R1.1 c1cc(ccc1C#N)O TS03063 [0,2,0,0,0,0|0,1,0]=3 1131 B9R1.1 c1cc(ccc1C#N)S TS03071 [0,2,0,0,0,0|0,0,0]=2 1132 B9R1.1 c1cc(ccc1C#N)[Zn+] TS27647 [0,2,0,0,0,0|1,0,0]=3 1133 B9R1.1 c1cc(ccc1C=O)Br TS09589 [0,2,0,0,0,0|0,1,0]=3 1134 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [0,2,0,0,0,0|0,1,0]=3 1135 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [0,2,0,0,0,0|0,1,0]=3 1136 B9R1.1 c1cc(ccc1C=O)F TS03079 [0,2,0,0,0,0|0,1,0]=3 1137 B9R1.1 c1cc(ccc1C=O)I TS71194 [0,2,0,0,0,0|0,1,0]=3 1138 B9R1.1 c1cc(ccc1C=O)N TS08868 [0,2,0,0,0,0|0,1,0]=3 1139 B9R1.1 c1cc(ccc1C=O)O TS01630 [0,2,0,0,0,0|0,1,0]=3 1140 B9R1.1 c1cc(ccc1C=O)O TS42180 [0,2,0,0,0,0|0,1,0]=3 1141 B9R1.1 c1cc(ccc1CBr)Br TS09598 [0,2,0,0,0,0|1,0,0]=3 1142 B9R1.1 c1cc(ccc1CBr)Cl TS46748 [0,2,0,0,0,0|1,0,0]=3 1143 B9R1.1 c1cc(ccc1CBr)F TS03088 [0,2,0,0,0,0|1,0,0]=3 1144 B9R1.1 c1cc(ccc1CBr)I TS09718 [0,2,0,0,0,0|1,0,0]=3 1145 B9R1.1 c1cc(ccc1CBr)O TS16899 [0,2,0,0,0,0|0,1,0]=3 1146 B9R1.1 c1cc(ccc1CCl)Br TS16774 [0,2,0,0,0,0|1,0,0]=3 1147 B9R1.1 c1cc(ccc1CCl)Cl TS39591 [0,2,0,0,0,0|1,0,0]=3 1148 B9R1.1 c1cc(ccc1CCl)F TS07044 [0,2,0,0,0,0|1,0,0]=3 1149 B9R1.1 c1cc(ccc1CN)Br TS09597 [0,2,0,0,0,0|1,0,0]=3 1150 B9R1.1 c1cc(ccc1CN)Br TS60052 [0,2,0,0,0,0|1,0,0]=3 1151 B9R1.1 c1cc(ccc1CN)Cl TS33154 [0,2,0,0,0,0|1,0,0]=3 1152 B9R1.1 c1cc(ccc1CN)Cl TS71062 [0,2,0,0,0,0|1,0,0]=3 1153 B9R1.1 c1cc(ccc1CN)F TS03087 [0,2,0,0,0,0|1,0,0]=3 1154 B9R1.1 c1cc(ccc1CN)F TS42359 [0,2,0,0,0,0|1,0,0]=3 1155 B9R1.1 c1cc(ccc1CN)I TS07803 [0,2,0,0,0,0|1,0,0]=3 1156 B9R1.1 c1cc(ccc1CN)I TS73917 [0,2,0,0,0,0|1,0,0]=3 1157 B9R1.1 c1cc(ccc1CN)N TS32510 [0,2,0,0,0,0|1,0,0]=3 1158 B9R1.1 c1cc(ccc1CN)O TS38524 [0,2,0,0,0,0|0,1,0]=3 1159 B9R1.1 c1cc(ccc1CN)O TS71170 [0,2,0,0,0,0|0,1,0]=3 1160 B9R1.1 c1cc(ccc1CO)Br TS16773 [0,2,0,0,0,0|0,1,0]=3 1161 B9R1.1 c1cc(ccc1CO)Cl TS37684 [0,2,0,0,0,0|0,1,0]=3 1162 B9R1.1 c1cc(ccc1CO)F TS36109 [0,2,0,0,0,0|0,1,0]=3 1163 B9R1.1 c1cc(ccc1CO)I TS02234 [0,2,0,0,0,0|0,1,0]=3 1164 B9R1.1 c1cc(ccc1CO)N TS70914 [0,2,0,0,0,0|0,1,0]=3 1165 B9R1.1 c1cc(ccc1CO)O TS46479 [0,2,0,0,0,0|0,1,0]=3 1166 B9R1.1 c1cc(ccc1CO)S TS37388 [0,2,0,0,0,0|0,0,0]=2 1167 B9R1.1 c1cc(ccc1CS)Br TS19522 [0,2,0,0,0,0|0,0,0]=2 1168 B9R1.1 c1cc(ccc1CS)Cl TS42005 [0,2,0,0,0,0|0,0,0]=2 1169 B9R1.1 c1cc(ccc1CS)F TS06684 [0,2,0,0,0,0|0,0,0]=2 1170 B9R1.1 c1cc(ccc1C[Zn+])Br TS76764 [0,2,0,0,0,0|1,0,0]=3 1171 B9R1.1 c1cc(ccc1F)[Mg]Br TS16672 [0,2,0,0,0,0|1,0,0]=3 1172 B9R1.1 c1cc(ccc1N=O)O TS32551 [0,2,0,0,0,0|0,1,0]=3 1173 B9R1.1 c1cc(ccc1NN)Br TS50374 [0,2,0,0,0,0|1,0,0]=3 1174 B9R1.1 c1cc(ccc1NN)Cl TS06801 [0,2,0,0,0,0|1,0,0]=3 1175 B9R1.1 c1cc(ccc1NN)Cl TS67272 [0,2,0,0,0,0|1,0,0]=3 1176 B9R1.1 c1cc(ccc1NN)I TS53552 [0,2,0,0,0,0|1,0,0]=3 1177 B9R1.1 c1cc(ccc1[Mg]Br)Cl TS21953 [0,2,0,0,0,0|1,0,0]=3 1178 B9R1.1 c1cc(ccc1[Mg]Cl)Cl TS45365 [0,2,0,0,0,0|1,0,0]=3 1179 B9R1.1 c1cc(ccc1[N+]#N)Br TS30906 [0,2,0,0,0,0|1,0,0]=3 1180 B9R1.1 c1cc(ncc1Br)C#N TS71416 [0,2,0,0,0,0|2,0,0]=4 1181 B9R1.1 c1cc(ncc1Br)C=O TS71427 [0,2,0,0,0,0|1,1,0]=4 1182 B9R1.1 c1cc(ncc1Br)CO TS71442 [0,2,0,0,0,0|1,1,0]=4 1183 B9R1.1 c1cc(ncc1Br)NN TS71429 [0,2,0,0,0,0|2,0,0]=4 1184 B9R1.1 c1cc(ncc1C#N)Br TS55125 [0,2,0,0,0,0|2,0,0]=4 1185 B9R1.1 c1cc(ncc1C#N)Cl TS55237 [0,2,0,0,0,0|2,0,0]=4 1186 B9R1.1 c1cc(ncc1C#N)F TS04893 [0,2,0,0,0,0|2,0,0]=4 1187 B9R1.1 c1cc(ncc1C#N)O TS39788 [0,2,0,0,0,0|1,1,0]=4 1188 B9R1.1 c1cc(ncc1C=O)Br TS16478 [0,2,0,0,0,0|1,1,0]=4 1189 B9R1.1 c1cc(ncc1C=O)Cl TS85443 [0,2,0,0,0,0|1,1,0]=4 1190 B9R1.1 c1cc(ncc1C=O)F TS01040 [0,2,0,0,0,0|1,1,0]=4 1191 B9R1.1 c1cc(ncc1C=O)N TS87752 [0,2,0,0,0,0|1,1,0]=4 1192 B9R1.1 c1cc(ncc1C=O)O TS55611 [0,2,0,0,0,0|1,1,0]=4 1193 B9R1.1 c1cc(ncc1CBr)Cl TS71318 [0,2,0,0,0,0|2,0,0]=4 1194 B9R1.1 c1cc(ncc1CBr)F TS90058 [0,2,0,0,0,0|2,0,0]=4 1195 B9R1.1 c1cc(ncc1CCl)Cl TS47256 [0,2,0,0,0,0|2,0,0]=4 1196 B9R1.1 c1cc(ncc1CCl)F TS86320 [0,2,0,0,0,0|2,0,0]=4 1197 B9R1.1 c1cc(ncc1CN)Cl TS71379 [0,2,0,0,0,0|2,0,0]=4 1198 B9R1.1 c1cc(ncc1CN)F TS87785 [0,2,0,0,0,0|2,0,0]=4 1199 B9R1.1 c1cc(ncc1CO)Br TS22929 [0,2,0,0,0,0|1,1,0]=4 1200 B9R1.1 c1cc(ncc1CO)Cl TS55248 [0,2,0,0,0,0|1,1,0]=4 1201 B9R1.1 c1cc(ncc1CO)F TS85126 [0,2,0,0,0,0|1,1,0]=4 1202 B9R1.1 c1cc(ncc1CO)N TS46564 [0,2,0,0,0,0|1,1,0]=4 1203 B9R1.1 c1cc(ncc1Cl)C#N TS09833 [0,2,0,0,0,0|2,0,0]=4 1204 B9R1.1 c1cc(ncc1Cl)C=O TS71489 [0,2,0,0,0,0|1,1,0]=4 1205 B9R1.1 c1cc(ncc1Cl)CCl TS87444 [0,2,0,0,0,0|2,0,0]=4 1206 B9R1.1 c1cc(ncc1F)C=O TS60090 [0,2,0,0,0,0|1,1,0]=4 1207 B9R1.1 c1cc(ncc1F)CO TS88541 [0,2,0,0,0,0|1,1,0]=4 1208 B9R1.1 c1cc(ncc1N)C#N TS65869 [0,2,0,0,0,0|2,0,0]=4 1209 B9R1.1 c1cc(ncc1N)CN TS32573 [0,2,0,0,0,0|2,0,0]=4 1210 B9R1.1 c1cc(ncc1O)C#N TS55294 [0,2,0,0,0,0|1,1,0]=4 1211 B9R1.1 c1cc(ncc1O)C=O TS03343 [0,2,0,0,0,0|1,1,0]=4 1212 B9R1.1 c1cn(=O)ccc1C#N TS32414 [0,2,0,0,0,0|1,1,0]=4 1213 B9R1.1 c1cn(=O)ccc1C=O TS32549 [0,2,0,0,0,0|1,1,0]=4 1214 B9R1.1 c1cn(=O)ccc1CO TS59701 [0,2,0,0,0,0|1,1,0]=4 1215 B9R1.2 C#Cc1cc(cnc1)Cl TS37136 [0,2,0,0,0,0|2,0,0]=4 1216 B9R1.2 C#Cc1cccc(c1)Br TS65960 [0,2,0,0,0,0|1,0,0]=3 1217 B9R1.2 C#Cc1cccc(c1)Cl TS02032 [0,2,0,0,0,0|1,0,0]=3 1218 B9R1.2 C#Cc1cccc(c1)F TS70602 [0,2,0,0,0,0|1,0,0]=3 1219 B9R1.2 C#Cc1cccc(c1)N TS02665 [0,2,0,0,0,0|1,0,0]=3 1220 B9R1.2 C#Cc1cccc(c1)O TS32329 [0,2,0,0,0,0|0,1,0]=3 1221 B9R1.2 C=Cc1cc(cnc1)Br TS48517 [0,2,0,0,0,0|2,0,0]=4 1222 B9R1.2 C=Cc1cccc(c1)Br TS48377 [0,2,0,0,0,0|1,0,0]=3 1223 B9R1.2 C=Cc1cccc(c1)Cl TS37252 [0,2,0,0,0,0|1,0,0]=3 1224 B9R1.2 C=Cc1cccc(c1)F TS32503 [0,2,0,0,0,0|1,0,0]=3 1225 B9R1.2 C=Cc1cccc(c1)N TS04792 [0,2,0,0,0,0|1,0,0]=3 1226 B9R1.2 CC[n+]1cccc(c1)O TS38523 [0,2,0,0,0,0|1,1,0]=4 1227 B9R1.2 CCc1cc(cnc1)Br TS91617 [0,2,0,0,0,0|2,0,0]=4 1228 B9R1.2 CCc1cccc(c1)Br TS32764 [0,2,0,0,0,0|1,0,0]=3 1229 B9R1.2 CCc1cccc(c1)C TS04835 [0,2,0,0,0,0|1,0,0]=3 1230 B9R1.2 CCc1cccc(c1)N TS32463 [0,2,0,0,0,0|1,0,0]=3 1231 B9R1.2 CCc1cccc(c1)O TS04895 [0,2,0,0,0,0|0,1,0]=3 1232 B9R1.2 CCc1cccc(n1)C TS32466 [0,2,0,0,0,0|2,0,0]=4 1233 B9R1.2 CCc1cccc(n1)N TS60098 [0,2,0,0,0,0|2,0,0]=4 1234 B9R1.2 CCc1ccnc(c1)Br TS48833 [0,2,0,0,0,0|2,0,0]=4 1235 B9R1.2 CCc1ccnc(c1)C TS32469 [0,2,0,0,0,0|2,0,0]=4 1236 B9R1.2 CCc1ccnc(c1)N TS71108 [0,2,0,0,0,0|2,0,0]=4 1237 B9R1.2 CNc1cc(ccn1)Cl TS37689 [0,2,0,0,0,0|2,0,0]=4 1238 B9R1.2 CNc1cccc(c1)Br TS48829 [0,2,0,0,0,0|1,0,0]=3 1239 B9R1.2 CNc1cccc(c1)Cl TS37535 [0,2,0,0,0,0|1,0,0]=3 1240 B9R1.2 CNc1cccc(c1)F TS70598 [0,2,0,0,0,0|1,0,0]=3 1241 B9R1.2 CNc1cccc(n1)Cl TS94212 [0,2,0,0,0,0|2,0,0]=4 1242 B9R1.2 COc1cc(ccn1)Cl TS03053 [0,2,0,0,0,0|1,1,0]=4 1243 B9R1.2 COc1cc(ccn1)F TS05258 [0,2,0,0,0,0|1,1,0]=4 1244 B9R1.2 COc1cc(ccn1)I TS71184 [0,2,0,0,0,0|1,1,0]=4 1245 B9R1.2 COc1cc(ccn1)N TS02966 [0,2,0,0,0,0|1,1,0]=4 1246 B9R1.2 COc1cc(cnc1)Br TS65932 [0,2,0,0,0,0|1,1,0]=4 1247 B9R1.2 COc1cc(cnc1)Cl TS06905 [0,2,0,0,0,0|1,1,0]=4 1248 B9R1.2 COc1cc(cnc1)I TS25666 [0,2,0,0,0,0|1,1,0]=4 1249 B9R1.2 COc1cc(cnc1)N TS55470 [0,2,0,0,0,0|1,1,0]=4 1250 B9R1.2 COc1cc(cnc1)N TS89352 [0,2,0,0,0,0|1,1,0]=4 1251 B9R1.2 COc1cc(cnc1)O TS55469 [0,2,0,0,0,0|1,1,0]=4 1252 B9R1.2 COc1cc[nH]c(=O)c1 TS71209 [0,2,0,0,0,0|1,1,0]=4 1253 B9R1.2 COc1ccc[n+](c1)[O-] TS05090 [0,2,0,0,0,0|1,1,0]=4 1254 B9R1.2 COc1cccc(c1)Br TS00028 [0,2,0,0,0,0|0,1,0]=3 1255 B9R1.2 COc1cccc(c1)Cl TS37686 [0,2,0,0,0,0|0,1,0]=3 1256 B9R1.2 COc1cccc(c1)F TS70591 [0,2,0,0,0,0|0,1,0]=3 1257 B9R1.2 COc1cccc(c1)I TS39445 [0,2,0,0,0,0|0,1,0]=3 1258 B9R1.2 COc1cccc(c1)N TS02081 [0,2,0,0,0,0|0,1,0]=3 1259 B9R1.2 COc1cccc(c1)N TS11191 [0,2,0,0,0,0|0,1,0]=3 1260 B9R1.2 COc1cccc(c1)O TS39714 [0,2,0,0,0,0|0,1,0]=3 1261 B9R1.2 COc1cccc(c1)S TS70650 [0,2,0,0,0,0|0,0,0]=2 1262 B9R1.2 COc1cccc(c1)[Zn+] TS74541 [0,2,0,0,0,0|0,1,0]=3 1263 B9R1.2 COc1cccc(n1)Br TS08366 [0,2,0,0,0,0|1,1,0]=4 1264 B9R1.2 COc1cccc(n1)Cl TS55270 [0,2,0,0,0,0|1,1,0]=4 1265 B9R1.2 COc1cccc(n1)I TS56597 [0,2,0,0,0,0|1,1,0]=4 1266 B9R1.2 COc1cccc(n1)O TS05074 [0,2,0,0,0,0|1,1,0]=4 1267 B9R1.2 COc1ccnc(c1)Br TS08328 [0,2,0,0,0,0|1,1,0]=4 1268 B9R1.2 COc1ccnc(c1)Cl TS55226 [0,2,0,0,0,0|1,1,0]=4 1269 B9R1.2 COc1ccnc(c1)N TS47406 [0,2,0,0,0,0|1,1,0]=4 1270 B9R1.2 CSc1[nH]c(=O)ccn1 TS89161 [0,2,0,0,0,0|2,0,0]=4 1271 B9R1.2 CSc1cc(ncn1)Cl TS09667 [0,2,0,0,0,0|2,0,0]=4 1272 B9R1.2 CSc1cccc(c1)Br TS60340 [0,2,0,0,0,0|0,0,0]=2 1273 B9R1.2 CSc1cccc(c1)Cl TS42003 [0,2,0,0,0,0|0,0,0]=2 1274 B9R1.2 CSc1cccc(c1)F TS60012 [0,2,0,0,0,0|0,0,0]=2 1275 B9R1.2 CSc1cccc(c1)I TS27987 [0,2,0,0,0,0|0,0,0]=2 1276 B9R1.2 CSc1cccc(c1)N TS02674 [0,2,0,0,0,0|0,0,0]=2 1277 B9R1.2 CSc1ccnc(c1)Cl TS11198 [0,2,0,0,0,0|1,0,0]=3 1278 B9R1.2 CSc1ccnc(n1)Cl TS11338 [0,2,0,0,0,0|2,0,0]=4 1279 B9R1.2 CSc1nccc(n1)Cl TS71017 [0,2,0,0,0,0|2,0,0]=4 1280 B9R1.2 CSc1nccc(n1)I TS71187 [0,2,0,0,0,0|2,0,0]=4 1281 B9R1.2 CSc1nccc(n1)N TS37508 [0,2,0,0,0,0|2,0,0]=4 1282 B9R1.2 CSc1nccc(n1)O TS65608 [0,2,0,0,0,0|2,0,0]=4 1283 B9R1.2 Cc1cc(ccn1)C#N TS04726 [0,2,0,0,0,0|2,0,0]=4 1284 B9R1.2 Cc1cc(ccn1)C=O TS02448 [0,2,0,0,0,0|1,1,0]=4 1285 B9R1.2 Cc1cc(cnc1)C#N TS46458 [0,2,0,0,0,0|2,0,0]=4 1286 B9R1.2 Cc1cc(cnc1)C=O TS01158 [0,2,0,0,0,0|1,1,0]=4 1287 B9R1.2 Cc1cc(cnc1)CCl TS46377 [0,2,0,0,0,0|2,0,0]=4 1288 B9R1.2 Cc1cc(cnc1)CO TS04972 [0,2,0,0,0,0|1,1,0]=4 1289 B9R1.2 Cc1cc(cnc1)OC TS04960 [0,2,0,0,0,0|1,1,0]=4 1290 B9R1.2 Cc1cccc(c1)C#C TS32229 [0,2,0,0,0,0|1,0,0]=3 1291 B9R1.2 Cc1cccc(c1)C#N TS02843 [0,2,0,0,0,0|1,0,0]=3 1292 B9R1.2 Cc1cccc(c1)C=C TS70680 [0,2,0,0,0,0|1,0,0]=3 1293 B9R1.2 Cc1cccc(c1)CBr TS00037 [0,2,0,0,0,0|1,0,0]=3 1294 B9R1.2 Cc1cccc(c1)CCl TS37460 [0,2,0,0,0,0|1,0,0]=3 1295 B9R1.2 Cc1cccc(c1)CN TS04866 [0,2,0,0,0,0|1,0,0]=3 1296 B9R1.2 Cc1cccc(c1)CO TS04903 [0,2,0,0,0,0|0,1,0]=3 1297 B9R1.2 Cc1cccc(c1)CS TS06306 [0,2,0,0,0,0|0,0,0]=2 1298 B9R1.2 Cc1cccc(c1)C[Zn+] TS38912 [0,2,0,0,0,0|1,0,0]=3 1299 B9R1.2 Cc1cccc(c1)NC TS32467 [0,2,0,0,0,0|1,0,0]=3 1300 B9R1.2 Cc1cccc(c1)NN TS04918 [0,2,0,0,0,0|1,0,0]=3 1301 B9R1.2 Cc1cccc(c1)NN TS41997 [0,2,0,0,0,0|1,0,0]=3 1302 B9R1.2 Cc1cccc(c1)OC TS32509 [0,2,0,0,0,0|0,1,0]=3 1303 B9R1.2 Cc1cccc(c1)[Mg]Br TS52067 [0,2,0,0,0,0|1,0,0]=3 1304 B9R1.2 Cc1cccc(c1)[Mg]Cl TS40952 [0,2,0,0,0,0|1,0,0]=3 1305 B9R1.2 Cc1cccc(n1)C#N TS55295 [0,2,0,0,0,0|2,0,0]=4 1306 B9R1.2 Cc1cccc(n1)C=C TS04794 [0,2,0,0,0,0|2,0,0]=4 1307 B9R1.2 Cc1cccc(n1)C=O TS85261 [0,2,0,0,0,0|1,1,0]=4 1308 B9R1.2 Cc1cccc(n1)CBr TS30360 [0,2,0,0,0,0|2,0,0]=4 1309 B9R1.2 Cc1cccc(n1)CBr TS48832 [0,2,0,0,0,0|2,0,0]=4 1310 B9R1.2 Cc1cccc(n1)CCl TS46378 [0,2,0,0,0,0|2,0,0]=4 1311 B9R1.2 Cc1cccc(n1)CN TS01962 [0,2,0,0,0,0|2,0,0]=4 1312 B9R1.2 Cc1cccc(n1)CO TS04961 [0,2,0,0,0,0|1,1,0]=4 1313 B9R1.2 Cc1cccc(n1)OC TS00087 [0,2,0,0,0,0|1,1,0]=4 1314 B9R1.2 Cc1ccnc(c1)C#N TS55293 [0,2,0,0,0,0|2,0,0]=4 1315 B9R1.2 Cc1ccnc(c1)C=O TS03178 [0,2,0,0,0,0|1,1,0]=4 1316 B9R1.2 Cc1ccnc(c1)CN TS04912 [0,2,0,0,0,0|2,0,0]=4 1317 B9R1.2 Cc1ccnc(c1)OC TS04955 [0,2,0,0,0,0|1,1,0]=4 1318 B9R1.2 Cc1ccnc(n1)SC TS85152 [0,2,0,0,0,0|2,0,0]=4 1319 B9R1.2 [C-]#[N+]c1cccc(c1)Br TS14867 [0,2,0,0,0,0|1,0,0]=3 1320 B9R1.2 c1c(cncc1Br)C#N TS09810 [0,2,0,0,0,0|2,0,0]=4 1321 B9R1.2 c1c(cncc1Br)C=O TS16988 [0,2,0,0,0,0|1,1,0]=4 1322 B9R1.2 c1c(cncc1Br)CCl TS26941 [0,2,0,0,0,0|2,0,0]=4 1323 B9R1.2 c1c(cncc1Br)CN TS49021 [0,2,0,0,0,0|2,0,0]=4 1324 B9R1.2 c1c(cncc1Br)CO TS16995 [0,2,0,0,0,0|1,1,0]=4 1325 B9R1.2 c1c(cncc1Cl)C#N TS08751 [0,2,0,0,0,0|2,0,0]=4 1326 B9R1.2 c1c(cncc1Cl)C=O TS37528 [0,2,0,0,0,0|1,1,0]=4 1327 B9R1.2 c1c(cncc1Cl)CCl TS91325 [0,2,0,0,0,0|2,0,0]=4 1328 B9R1.2 c1c(cncc1Cl)CO TS08050 [0,2,0,0,0,0|1,1,0]=4 1329 B9R1.2 c1c(cncc1F)C#N TS65166 [0,2,0,0,0,0|2,0,0]=4 1330 B9R1.2 c1c(cncc1F)C=O TS03322 [0,2,0,0,0,0|1,1,0]=4 1331 B9R1.2 c1c(cncc1F)CCl TS91777 [0,2,0,0,0,0|2,0,0]=4 1332 B9R1.2 c1c(cncc1F)CN TS90364 [0,2,0,0,0,0|2,0,0]=4 1333 B9R1.2 c1c(cncc1F)CO TS86069 [0,2,0,0,0,0|1,1,0]=4 1334 B9R1.2 c1c(cncc1I)C=O TS25323 [0,2,0,0,0,0|1,1,0]=4 1335 B9R1.2 c1c(cncc1I)CCl TS58052 [0,2,0,0,0,0|2,0,0]=4 1336 B9R1.2 c1c(cncc1I)CO TS56598 [0,2,0,0,0,0|1,1,0]=4 1337 B9R1.2 c1c(cncc1N)C#N TS04777 [0,2,0,0,0,0|2,0,0]=4 1338 B9R1.2 c1c(cncc1N)CO TS32612 [0,2,0,0,0,0|1,1,0]=4 1339 B9R1.2 c1c[nH]c(=O)cc1CN TS90761 [0,2,0,0,0,0|1,1,0]=4 1340 B9R1.2 c1c[nH]c(=O)cc1CO TS90976 [0,2,0,0,0,0|1,1,0]=4 1341 B9R1.2 c1cc(c[n+](c1)[O-])C#N TS32415 [0,2,0,0,0,0|1,1,0]=4 1342 B9R1.2 c1cc(cc(c1)Br)C#N TS09482 [0,2,0,0,0,0|1,0,0]=3 1343 B9R1.2 c1cc(cc(c1)Br)C=O TS09477 [0,2,0,0,0,0|0,1,0]=3 1344 B9R1.2 c1cc(cc(c1)Br)CBr TS09487 [0,2,0,0,0,0|1,0,0]=3 1345 B9R1.2 c1cc(cc(c1)Br)CCl TS09488 [0,2,0,0,0,0|1,0,0]=3 1346 B9R1.2 c1cc(cc(c1)Br)CN TS09486 [0,2,0,0,0,0|1,0,0]=3 1347 B9R1.2 c1cc(cc(c1)Br)CN TS23568 [0,2,0,0,0,0|1,0,0]=3 1348 B9R1.2 c1cc(cc(c1)Br)CO TS09485 [0,2,0,0,0,0|0,1,0]=3 1349 B9R1.2 c1cc(cc(c1)Br)CS TS19525 [0,2,0,0,0,0|0,0,0]=2 1350 B9R1.2 c1cc(cc(c1)Br)NN TS65962 [0,2,0,0,0,0|1,0,0]=3 1351 B9R1.2 c1cc(cc(c1)Cl)C#N TS00143 [0,2,0,0,0,0|1,0,0]=3 1352 B9R1.2 c1cc(cc(c1)Cl)C=O TS00142 [0,2,0,0,0,0|0,1,0]=3 1353 B9R1.2 c1cc(cc(c1)Cl)CBr TS02030 [0,2,0,0,0,0|1,0,0]=3 1354 B9R1.2 c1cc(cc(c1)Cl)CCl TS01788 [0,2,0,0,0,0|1,0,0]=3 1355 B9R1.2 c1cc(cc(c1)Cl)CN TS02029 [0,2,0,0,0,0|1,0,0]=3 1356 B9R1.2 c1cc(cc(c1)Cl)CO TS02715 [0,2,0,0,0,0|0,1,0]=3 1357 B9R1.2 c1cc(cc(c1)Cl)[Mg]Br TS21954 [0,2,0,0,0,0|1,0,0]=3 1358 B9R1.2 c1cc(cc(c1)F)C#N TS70592 [0,2,0,0,0,0|1,0,0]=3 1359 B9R1.2 c1cc(cc(c1)F)C=O TS16744 [0,2,0,0,0,0|0,1,0]=3 1360 B9R1.2 c1cc(cc(c1)F)CBr TS70593 [0,2,0,0,0,0|1,0,0]=3 1361 B9R1.2 c1cc(cc(c1)F)CCl TS70594 [0,2,0,0,0,0|1,0,0]=3 1362 B9R1.2 c1cc(cc(c1)F)CN TS39435 [0,2,0,0,0,0|1,0,0]=3 1363 B9R1.2 c1cc(cc(c1)F)CO TS39434 [0,2,0,0,0,0|0,1,0]=3 1364 B9R1.2 c1cc(cc(c1)F)CS TS06688 [0,2,0,0,0,0|0,0,0]=2 1365 B9R1.2 c1cc(cc(c1)I)C#N TS70628 [0,2,0,0,0,0|1,0,0]=3 1366 B9R1.2 c1cc(cc(c1)I)C=O TS53246 [0,2,0,0,0,0|0,1,0]=3 1367 B9R1.2 c1cc(cc(c1)I)CBr TS70629 [0,2,0,0,0,0|1,0,0]=3 1368 B9R1.2 c1cc(cc(c1)I)CN TS53419 [0,2,0,0,0,0|1,0,0]=3 1369 B9R1.2 c1cc(cc(c1)I)CN TS73918 [0,2,0,0,0,0|1,0,0]=3 1370 B9R1.2 c1cc(cc(c1)I)CO TS53549 [0,2,0,0,0,0|0,1,0]=3 1371 B9R1.2 c1cc(cc(c1)N)C#N TS65877 [0,2,0,0,0,0|1,0,0]=3 1372 B9R1.2 c1cc(cc(c1)N)C=O TS04864 [0,2,0,0,0,0|0,1,0]=3 1373 B9R1.2 c1cc(cc(c1)N)C=O TS10917 [0,2,0,0,0,0|0,1,0]=3 1374 B9R1.2 c1cc(cc(c1)N)CN TS32516 [0,2,0,0,0,0|1,0,0]=3 1375 B9R1.2 c1cc(cc(c1)N)CO TS59603 [0,2,0,0,0,0|0,1,0]=3 1376 B9R1.2 c1cc(cc(c1)O)C#N TS02727 [0,2,0,0,0,0|0,1,0]=3 1377 B9R1.2 c1cc(cc(c1)O)C=O TS70619 [0,2,0,0,0,0|0,1,0]=3 1378 B9R1.2 c1cc(cc(c1)O)CBr TS49013 [0,2,0,0,0,0|0,1,0]=3 1379 B9R1.2 c1cc(cc(c1)O)CCl TS37687 [0,2,0,0,0,0|0,1,0]=3 1380 B9R1.2 c1cc(cc(c1)O)CO TS32602 [0,2,0,0,0,0|0,1,0]=3 1381 B9R1.2 c1cc(cc(c1)[Mg]Br)F TS37776 [0,2,0,0,0,0|1,0,0]=3 1382 B9R1.2 c1cc(cc(c1)[Zn+])C#N TS35725 [0,2,0,0,0,0|1,0,0]=3 1383 B9R1.2 c1cc(cn(=O)c1)CO TS05088 [0,2,0,0,0,0|1,1,0]=4 1384 B9R1.2 c1cc(nc(c1)Br)C#N TS32666 [0,2,0,0,0,0|2,0,0]=4 1385 B9R1.2 c1cc(nc(c1)Br)C=O TS16476 [0,2,0,0,0,0|1,1,0]=4 1386 B9R1.2 c1cc(nc(c1)Br)CBr TS28129 [0,2,0,0,0,0|2,0,0]=4 1387 B9R1.2 c1cc(nc(c1)Br)CN TS49016 [0,2,0,0,0,0|2,0,0]=4 1388 B9R1.2 c1cc(nc(c1)Br)CO TS55136 [0,2,0,0,0,0|1,1,0]=4 1389 B9R1.2 c1cc(nc(c1)Br)NN TS50645 [0,2,0,0,0,0|2,0,0]=4 1390 B9R1.2 c1cc(nc(c1)Cl)C#N TS00942 [0,2,0,0,0,0|2,0,0]=4 1391 B9R1.2 c1cc(nc(c1)Cl)C=O TS55586 [0,2,0,0,0,0|1,1,0]=4 1392 B9R1.2 c1cc(nc(c1)Cl)CBr TS39094 [0,2,0,0,0,0|2,0,0]=4 1393 B9R1.2 c1cc(nc(c1)Cl)CO TS46565 [0,2,0,0,0,0|1,1,0]=4 1394 B9R1.2 c1cc(nc(c1)Cl)CO TS55567 [0,2,0,0,0,0|1,1,0]=4 1395 B9R1.2 c1cc(nc(c1)Cl)NN TS55261 [0,2,0,0,0,0|2,0,0]=4 1396 B9R1.2 c1cc(nc(c1)F)C#N TS32482 [0,2,0,0,0,0|2,0,0]=4 1397 B9R1.2 c1cc(nc(c1)F)C=O TS55360 [0,2,0,0,0,0|1,1,0]=4 1398 B9R1.2 c1cc(nc(c1)I)CO TS25668 [0,2,0,0,0,0|1,1,0]=4 1399 B9R1.2 c1cnc(cc1Br)C#N TS71010 [0,2,0,0,0,0|2,0,0]=4 1400 B9R1.2 c1cnc(cc1Br)C=O TS71011 [0,2,0,0,0,0|1,1,0]=4 1401 B9R1.2 c1cnc(cc1Br)CN TS39553 [0,2,0,0,0,0|2,0,0]=4 1402 B9R1.2 c1cnc(cc1Br)CN TS87352 [0,2,0,0,0,0|2,0,0]=4 1403 B9R1.2 c1cnc(cc1Br)CO TS08030 [0,2,0,0,0,0|1,1,0]=4 1404 B9R1.2 c1cnc(cc1C#N)Br TS00848 [0,2,0,0,0,0|2,0,0]=4 1405 B9R1.2 c1cnc(cc1C#N)Cl TS00881 [0,2,0,0,0,0|2,0,0]=4 1406 B9R1.2 c1cnc(cc1C#N)F TS09016 [0,2,0,0,0,0|2,0,0]=4 1407 B9R1.2 c1cnc(cc1C#N)N TS85411 [0,2,0,0,0,0|2,0,0]=4 1408 B9R1.2 c1cnc(cc1C#N)O TS32412 [0,2,0,0,0,0|1,1,0]=4 1409 B9R1.2 c1cnc(cc1C=O)Br TS00862 [0,2,0,0,0,0|1,1,0]=4 1410 B9R1.2 c1cnc(cc1C=O)Cl TS55217 [0,2,0,0,0,0|1,1,0]=4 1411 B9R1.2 c1cnc(cc1C=O)F TS01027 [0,2,0,0,0,0|1,1,0]=4 1412 B9R1.2 c1cnc(cc1C=O)N TS32497 [0,2,0,0,0,0|1,1,0]=4 1413 B9R1.2 c1cnc(cc1C=O)O TS55404 [0,2,0,0,0,0|1,1,0]=4 1414 B9R1.2 c1cnc(cc1CCl)N TS37692 [0,2,0,0,0,0|2,0,0]=4 1415 B9R1.2 c1cnc(cc1CN)Cl TS06803 [0,2,0,0,0,0|2,0,0]=4 1416 B9R1.2 c1cnc(cc1CN)N TS03001 [0,2,0,0,0,0|2,0,0]=4 1417 B9R1.2 c1cnc(cc1CO)Br TS00864 [0,2,0,0,0,0|1,1,0]=4 1418 B9R1.2 c1cnc(cc1CO)Cl TS46504 [0,2,0,0,0,0|1,1,0]=4 1419 B9R1.2 c1cnc(cc1CO)F TS36210 [0,2,0,0,0,0|1,1,0]=4 1420 B9R1.2 c1cnc(cc1CO)N TS00819 [0,2,0,0,0,0|1,1,0]=4 1421 B9R1.2 c1cnc(cc1Cl)C#N TS09690 [0,2,0,0,0,0|2,0,0]=4 1422 B9R1.2 c1cnc(cc1Cl)C=O TS09692 [0,2,0,0,0,0|1,1,0]=4 1423 B9R1.2 c1cnc(cc1Cl)CN TS37691 [0,2,0,0,0,0|2,0,0]=4 1424 B9R1.2 c1cnc(cc1Cl)CN TS44724 [0,2,0,0,0,0|2,0,0]=4 1425 B9R1.2 c1cnc(cc1Cl)CO TS08035 [0,2,0,0,0,0|1,1,0]=4 1426 B9R1.2 c1cnc(cc1Cl)NN TS94440 [0,2,0,0,0,0|2,0,0]=4 1427 B9R1.2 c1cnc(cc1F)C#N TS04891 [0,2,0,0,0,0|2,0,0]=4 1428 B9R1.2 c1cnc(cc1N)C#N TS32398 [0,2,0,0,0,0|2,0,0]=4 1429 B9R1.2 c1cnc(cc1NN)Cl TS55218 [0,2,0,0,0,0|2,0,0]=4 1430 B9R1.6 B(c1ccccc1)(Cl)Cl TS42008 [0,2,0,0,0,0|1,0,0]=3 1431 B9R1.6 B(c1ccccc1)(O)O TS59339 [0,2,0,0,0,0|0,1,0]=3 1432 B9R1.6 B(c1cccnc1)(O)O TS02468 [0,2,0,0,0,0|1,1,0]=4 1433 B9R1.6 B(c1cccnc1)(O)O TS11179 [0,2,0,0,0,0|1,1,0]=4 1434 B9R1.6 B(c1ccncc1)(O)O TS39931 [0,2,0,0,0,0|1,1,0]=4 1435 B9R1.6 B(c1ccncc1)(O)O TS90264 [0,2,0,0,0,0|1,1,0]=4 1436 B9R1.6 B(c1ccncc1)(O)O TS93424 [0,2,0,0,0,0|1,1,0]=4 1437 B9R1.6 C=C(c1ccccc1)Br TS48375 [0,2,0,0,0,0|1,0,0]=3 1438 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [0,2,0,0,0,0|1,0,0]=3 1439 B9R1.6 CC(=C)c1ccccc1 TS32349 [0,2,0,0,0,0|1,0,0]=3 1440 B9R1.6 CC(=O)c1ccccc1 TS32455 [0,2,0,0,0,0|0,1,0]=3 1441 B9R1.6 CC(=O)c1ccccc1 TS32456 [0,2,0,0,0,0|0,1,0]=3 1442 B9R1.6 CC(=O)c1ccccc1 TS38236 [0,2,0,0,0,0|0,1,0]=3 1443 B9R1.6 CC(=O)c1ccccc1 TS55713 [0,2,0,0,0,0|0,1,0]=3 1444 B9R1.6 CC(=O)c1ccccn1 TS04861 [0,2,0,0,0,0|1,1,0]=4 1445 B9R1.6 CC(=O)c1cccnc1 TS65831 [0,2,0,0,0,0|1,1,0]=4 1446 B9R1.6 CC(=O)c1ccncc1 TS02952 [0,2,0,0,0,0|1,1,0]=4 1447 B9R1.6 CC(C)c1ccccn1 TS32479 [0,2,0,0,0,0|2,0,0]=4 1448 B9R1.6 CC(C)c1ccccn1 TS49188 [0,2,0,0,0,0|2,0,0]=4 1449 B9R1.6 CC(C)c1ccncc1 TS09132 [0,2,0,0,0,0|2,0,0]=4 1450 B9R1.6 CC(c1ccccc1)Cl TS37453 [0,2,0,0,0,0|1,0,0]=3 1451 B9R1.6 CC(c1ccccc1)N TS55879 [0,2,0,0,0,0|1,0,0]=3 1452 B9R1.6 CC(c1ccccc1)O TS04908 [0,2,0,0,0,0|0,1,0]=3 1453 B9R1.6 CC(c1ccccn1)N TS47025 [0,2,0,0,0,0|2,0,0]=4 1454 B9R1.6 CC(c1ccccn1)N TS59503 [0,2,0,0,0,0|2,0,0]=4 1455 B9R1.6 CC(c1ccccn1)O TS08930 [0,2,0,0,0,0|1,1,0]=4 1456 B9R1.6 CC(c1cccnc1)N TS59573 [0,2,0,0,0,0|2,0,0]=4 1457 B9R1.6 CC(c1ccncc1)N TS51965 [0,2,0,0,0,0|2,0,0]=4 1458 B9R1.6 CC(c1ccncc1)N TS59574 [0,2,0,0,0,0|2,0,0]=4 1459 B9R1.6 CN(C)c1cc[nH+]cc1 TS29274 [0,2,0,0,0,0|2,0,0]=4 1460 B9R1.6 CN(C)c1ccccc1 TS56353 [0,2,0,0,0,0|1,0,0]=3 1461 B9R1.6 CN(C)c1ccccn1 TS04916 [0,2,0,0,0,0|2,0,0]=4 1462 B9R1.6 CN(C)c1cccnc1 TS32521 [0,2,0,0,0,0|2,0,0]=4 1463 B9R1.6 CN(C)c1ccncc1 TS71094 [0,2,0,0,0,0|2,0,0]=4 1464 B9R1.6 CN(C)c1ccncc1 TS79663 [0,2,0,0,0,0|2,0,0]=4 1465 B9R1.6 CN(C)c1ccncc1 TS93097 [0,2,0,0,0,0|2,0,0]=4 1466 B9R1.6 CN(c1ccccc1)N TS46980 [0,2,0,0,0,0|1,0,0]=3 1467 B9R1.6 CP(C)c1ccccc1 TS37178 [0,2,0,0,0,0|1,0,0]=3 1468 B9R1.6 CP(C)c1ccccc1 TS75399 [0,2,0,0,0,0|1,0,0]=3 1469 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [0,2,0,0,0,0|1,0,0]=3 1470 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [0,2,0,0,0,0|0,1,0]=3 1471 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [0,2,0,0,0,0|1,1,0]=4 1472 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [0,2,0,0,0,0|1,1,0]=4 1473 B9R1.6 C[C@@H](c1ccncc1)O TS32559 [0,2,0,0,0,0|1,1,0]=4 1474 B9R1.6 C[C@H](c1ccccc1)N TS00310 [0,2,0,0,0,0|1,0,0]=3 1475 B9R1.6 C[C@H](c1ccccc1)N TS29339 [0,2,0,0,0,0|1,0,0]=3 1476 B9R1.6 C[C@H](c1ccccc1)O TS04906 [0,2,0,0,0,0|0,1,0]=3 1477 B9R1.6 C[C@H](c1ccccn1)O TS04976 [0,2,0,0,0,0|1,1,0]=4 1478 B9R1.6 C[C@H](c1cccnc1)O TS04956 [0,2,0,0,0,0|1,1,0]=4 1479 B9R1.6 C[C@H](c1ccncc1)O TS39982 [0,2,0,0,0,0|1,1,0]=4 1480 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [0,2,0,0,0,0|1,0,0]=3 1481 B9R1.6 c1c[nH+]ccc1C(=N)N TS02953 [0,2,0,0,0,0|2,0,0]=4 1482 B9R1.6 c1cc(cnc1)C(=O)Cl TS01937 [0,2,0,0,0,0|1,1,0]=4 1483 B9R1.6 c1cc(cnc1)C(=O)Cl TS56401 [0,2,0,0,0,0|1,1,0]=4 1484 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [0,2,0,0,0,0|1,1,0]=4 1485 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [0,2,0,0,0,0|1,1,0]=4 1486 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [0,2,0,0,0,0|1,1,0]=4 1487 B9R1.6 c1cc(cnc1)C(=O)O TS36046 [0,2,0,0,0,0|1,1,0]=4 1488 B9R1.6 c1cc(cnc1)C(=O)[O-] TS07068 [0,2,0,0,0,0|1,1,0]=4 1489 B9R1.6 c1cc(cnc1)C(=O)[O-] TS73812 [0,2,0,0,0,0|1,1,0]=4 1490 B9R1.6 c1cc(cnc1)C(=O)[O-] TS81627 [0,2,0,0,0,0|1,1,0]=4 1491 B9R1.6 c1cc(cnc1)C(=S)N TS00280 [0,2,0,0,0,0|1,0,1]=4 1492 B9R1.6 c1cc(cnc1)C(=S)O TS37303 [0,2,0,0,0,0|1,0,1]=4 1493 B9R1.6 c1cc(cnc1)[N+](=O)[O-] TS05007 [0,2,0,0,0,0|1,1,0]=4 1494 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [0,2,0,0,0,0|1,0,0]=3 1495 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [0,2,0,0,0,0|1,0,0]=3 1496 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [0,2,0,0,0,0|1,0,0]=3 1497 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [0,2,0,0,0,0|0,1,0]=3 1498 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [0,2,0,0,0,0|0,1,0]=3 1499 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [0,2,0,0,0,0|0,1,0]=3 1500 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [0,2,0,0,0,0|0,1,0]=3 1501 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [0,2,0,0,0,0|0,1,0]=3 1502 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [0,2,0,0,0,0|0,1,0]=3 1503 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [0,2,0,0,0,0|0,1,0]=3 1504 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [0,2,0,0,0,0|0,1,0]=3 1505 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [0,2,0,0,0,0|0,1,0]=3 1506 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [0,2,0,0,0,0|0,1,0]=3 1507 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [0,2,0,0,0,0|0,1,0]=3 1508 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [0,2,0,0,0,0|0,1,0]=3 1509 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [0,2,0,0,0,0|0,1,0]=3 1510 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [0,2,0,0,0,0|0,1,0]=3 1511 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [0,2,0,0,0,0|0,0,1]=3 1512 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [0,2,0,0,0,0|0,0,1]=3 1513 B9R1.6 c1ccc(cc1)C(Br)Br TS27976 [0,2,0,0,0,0|1,0,0]=3 1514 B9R1.6 c1ccc(cc1)C(F)Cl TS40273 [0,2,0,0,0,0|1,0,0]=3 1515 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [0,2,0,0,0,0|0,1,0]=3 1516 B9R1.6 c1ccc(cc1)I(Cl)Cl TS07874 [0,2,0,0,0,0|1,0,0]=3 1517 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [0,2,0,0,0,0|0,1,0]=3 1518 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [0,2,0,0,0,0|0,1,0]=3 1519 B9R1.6 c1ccc(cc1)P(Cl)Cl TS14332 [0,2,0,0,0,0|1,0,0]=3 1520 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [0,2,0,0,0,0|0,0,1]=3 1521 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [0,2,0,0,0,0|0,0,1]=3 1522 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [0,2,0,0,0,0|0,0,1]=3 1523 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [0,2,0,0,0,0|0,1,0]=3 1524 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl TS46224 [0,2,0,0,0,0|1,0,0]=3 1525 B9R1.6 c1ccnc(c1)C(=N)N TS10924 [0,2,0,0,0,0|2,0,0]=4 1526 B9R1.6 c1ccnc(c1)C(=O)Cl TS46362 [0,2,0,0,0,0|1,1,0]=4 1527 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [0,2,0,0,0,0|1,1,0]=4 1528 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [0,2,0,0,0,0|1,1,0]=4 1529 B9R1.6 c1ccnc(c1)C(=O)[O-] TS07067 [0,2,0,0,0,0|1,1,0]=4 1530 B9R1.6 c1ccnc(c1)C(=O)[O-] TS58877 [0,2,0,0,0,0|1,1,0]=4 1531 B9R1.6 c1ccnc(c1)C(=O)[O-] TS76363 [0,2,0,0,0,0|1,1,0]=4 1532 B9R1.6 c1ccnc(c1)C(=O)[O-] TS81628 [0,2,0,0,0,0|1,1,0]=4 1533 B9R1.6 c1ccnc(c1)C(=O)[O-] TS93320 [0,2,0,0,0,0|1,1,0]=4 1534 B9R1.6 c1ccnc(c1)C(=S)N TS06297 [0,2,0,0,0,0|1,0,1]=4 1535 B9R1.6 c1cnccc1C(=N)N TS01862 [0,2,0,0,0,0|2,0,0]=4 1536 B9R1.6 c1cnccc1C(=O)Cl TS46358 [0,2,0,0,0,0|1,1,0]=4 1537 B9R1.6 c1cnccc1C(=O)N TS74511 [0,2,0,0,0,0|1,1,0]=4 1538 B9R1.6 c1cnccc1C(=O)O TS01508 [0,2,0,0,0,0|1,1,0]=4 1539 B9R1.6 c1cnccc1C(=O)[O-] TS07066 [0,2,0,0,0,0|1,1,0]=4 1540 B9R1.6 c1cnccc1C(=S)N TS06294 [0,2,0,0,0,0|1,0,1]=4 1541 B9R1.6 c1cnccc1[N+](=O)[O-] TS05008 [0,2,0,0,0,0|1,1,0]=4 1542 B9R1.8 C#CCc1ccccc1 TS32230 [0,2,0,0,0,0|1,0,0]=3 1543 B9R1.8 C=CC[n+]1ccccc1 TS37844 [0,2,0,0,0,0|2,0,0]=4 1544 B9R1.8 C=CCc1ccccc1 TS32347 [0,2,0,0,0,0|1,0,0]=3 1545 B9R1.8 C=CSc1ccccc1 TS06113 [0,2,0,0,0,0|0,0,0]=2 1546 B9R1.8 CC#Cc1ccccc1 TS04599 [0,2,0,0,0,0|1,0,0]=3 1547 B9R1.8 CC=Cc1ccccc1 TS32346 [0,2,0,0,0,0|1,0,0]=3 1548 B9R1.8 CCC[n+]1ccccc1 TS38202 [0,2,0,0,0,0|2,0,0]=4 1549 B9R1.8 CCCc1ccccc1 TS04832 [0,2,0,0,0,0|1,0,0]=3 1550 B9R1.8 CCCc1ccccn1 TS85359 [0,2,0,0,0,0|2,0,0]=4 1551 B9R1.8 CCNc1ccccc1 TS04869 [0,2,0,0,0,0|1,0,0]=3 1552 B9R1.8 CCOc1ccccc1 TS04896 [0,2,0,0,0,0|0,1,0]=3 1553 B9R1.8 CCOc1ccccn1 TS55309 [0,2,0,0,0,0|1,1,0]=4 1554 B9R1.8 CCOc1ccncc1 TS04974 [0,2,0,0,0,0|1,1,0]=4 1555 B9R1.8 CCSc1ccccc1 TS06299 [0,2,0,0,0,0|0,0,0]=2 1556 B9R1.8 CNCc1ccccc1 TS01938 [0,2,0,0,0,0|1,0,0]=3 1557 B9R1.8 CNCc1ccccn1 TS51966 [0,2,0,0,0,0|2,0,0]=4 1558 B9R1.8 CNCc1cccnc1 TS02609 [0,2,0,0,0,0|2,0,0]=4 1559 B9R1.8 CNCc1ccncc1 TS65238 [0,2,0,0,0,0|2,0,0]=4 1560 B9R1.8 CNNc1ccccc1 TS85406 [0,2,0,0,0,0|1,0,0]=3 1561 B9R1.8 COCc1ccccc1 TS04897 [0,2,0,0,0,0|0,1,0]=3 1562 B9R1.8 COCc1ccccn1 TS00518 [0,2,0,0,0,0|1,1,0]=4 1563 B9R1.8 CSCc1ccccc1 TS06309 [0,2,0,0,0,0|0,0,0]=2 1564 B9R1.8 CSSc1ccccc1 TS41708 [0,2,0,0,0,0|0,0,0]=2 1565 B9R1.8 [C-]#[N+]Cc1ccccc1 TS04681 [0,2,0,0,0,0|1,0,0]=3 1566 B9R1.8 [Li]C#Cc1ccccc1 TS04133 [0,2,0,0,0,0|1,0,0]=3 1567 B9R1.8 c1cc(cnc1)C=NO TS32495 [0,2,0,0,0,0|1,1,0]=4 1568 B9R1.8 c1cc(cnc1)CC#N TS04724 [0,2,0,0,0,0|2,0,0]=4 1569 B9R1.8 c1cc(cnc1)CCN TS41995 [0,2,0,0,0,0|2,0,0]=4 1570 B9R1.8 c1cc(cnc1)CCN TS65667 [0,2,0,0,0,0|2,0,0]=4 1571 B9R1.8 c1cc(cnc1)CCO TS39614 [0,2,0,0,0,0|1,1,0]=4 1572 B9R1.8 c1cc(cnc1)CNN TS87066 [0,2,0,0,0,0|2,0,0]=4 1573 B9R1.8 c1cc(cnc1)N=C=O TS32413 [0,2,0,0,0,0|1,1,0]=4 1574 B9R1.8 c1cc[n+](cc1)CC#N TS41465 [0,2,0,0,0,0|2,0,0]=4 1575 B9R1.8 c1ccc(cc1)C#CBr TS48021 [0,2,0,0,0,0|1,0,0]=3 1576 B9R1.8 c1ccc(cc1)C=CBr TS48378 [0,2,0,0,0,0|1,0,0]=3 1577 B9R1.8 c1ccc(cc1)C=CCl TS37253 [0,2,0,0,0,0|1,0,0]=3 1578 B9R1.8 c1ccc(cc1)C=CN TS55760 [0,2,0,0,0,0|1,0,0]=3 1579 B9R1.8 c1ccc(cc1)C=N#N TS04720 [0,2,0,0,0,0|1,0,0]=3 1580 B9R1.8 c1ccc(cc1)C=NN TS04817 [0,2,0,0,0,0|1,0,0]=3 1581 B9R1.8 c1ccc(cc1)CC#N TS04678 [0,2,0,0,0,0|1,0,0]=3 1582 B9R1.8 c1ccc(cc1)CCBr TS15419 [0,2,0,0,0,0|1,0,0]=3 1583 B9R1.8 c1ccc(cc1)CCCl TS37454 [0,2,0,0,0,0|1,0,0]=3 1584 B9R1.8 c1ccc(cc1)CCI TS25156 [0,2,0,0,0,0|1,0,0]=3 1585 B9R1.8 c1ccc(cc1)CCN TS22602 [0,2,0,0,0,0|1,0,0]=3 1586 B9R1.8 c1ccc(cc1)CCN TS65627 [0,2,0,0,0,0|1,0,0]=3 1587 B9R1.8 c1ccc(cc1)CCO TS04901 [0,2,0,0,0,0|0,1,0]=3 1588 B9R1.8 c1ccc(cc1)CCS TS06307 [0,2,0,0,0,0|0,0,0]=2 1589 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [0,2,0,0,0,0|1,0,0]=3 1590 B9R1.8 c1ccc(cc1)CNN TS09177 [0,2,0,0,0,0|1,0,0]=3 1591 B9R1.8 c1ccc(cc1)CNN TS21284 [0,2,0,0,0,0|1,0,0]=3 1592 B9R1.8 c1ccc(cc1)CNO TS01934 [0,2,0,0,0,0|0,1,0]=3 1593 B9R1.8 c1ccc(cc1)CNO TS93618 [0,2,0,0,0,0|0,1,0]=3 1594 B9R1.8 c1ccc(cc1)C[Mg]Br TS52066 [0,2,0,0,0,0|1,0,0]=3 1595 B9R1.8 c1ccc(cc1)C[Mg]Cl TS40953 [0,2,0,0,0,0|1,0,0]=3 1596 B9R1.8 c1ccc(cc1)N=C=O TS32396 [0,2,0,0,0,0|0,1,0]=3 1597 B9R1.8 c1ccc(cc1)N=C=S TS06000 [0,2,0,0,0,0|0,0,1]=3 1598 B9R1.8 c1ccc(cc1)N=[N+]=[N-] TS04781 [0,2,0,0,0,0|1,0,0]=3 1599 B9R1.8 c1ccc(cc1)NC=O TS04863 [0,2,0,0,0,0|0,1,0]=3 1600 B9R1.8 c1ccc(cc1)OC#N TS32392 [0,2,0,0,0,0|0,1,0]=3 1601 B9R1.8 c1ccc(cc1)OC=O TS32488 [0,2,0,0,0,0|0,1,0]=3 1602 B9R1.8 c1ccc(cc1)SCCl TS42004 [0,2,0,0,0,0|0,0,0]=2 1603 B9R1.8 c1ccc(cc1)[Se]C#N TS48175 [0,2,0,0,0,0|0,1,0]=3 1604 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [0,2,0,0,0,0|1,0,0]=3 1605 B9R1.8 c1ccnc(c1)C=NO TS53320 [0,2,0,0,0,0|1,1,0]=4 1606 B9R1.8 c1ccnc(c1)C=NO TS94195 [0,2,0,0,0,0|1,1,0]=4 1607 B9R1.8 c1ccnc(c1)CC#N TS04723 [0,2,0,0,0,0|2,0,0]=4 1608 B9R1.8 c1ccnc(c1)CCCl TS37532 [0,2,0,0,0,0|2,0,0]=4 1609 B9R1.8 c1ccnc(c1)CCN TS04914 [0,2,0,0,0,0|2,0,0]=4 1610 B9R1.8 c1ccnc(c1)CCN TS17997 [0,2,0,0,0,0|2,0,0]=4 1611 B9R1.8 c1ccnc(c1)CCO TS04967 [0,2,0,0,0,0|1,1,0]=4 1612 B9R1.8 c1ccnc(c1)CNN TS87756 [0,2,0,0,0,0|2,0,0]=4 1613 B9R1.8 c1ccnc(c1)N=C=S TS37004 [0,2,0,0,0,0|1,0,1]=4 1614 B9R1.8 c1ccnc(c1)NC=O TS32499 [0,2,0,0,0,0|1,1,0]=4 1615 B9R1.8 c1cnc(cn1)CCS TS37406 [0,2,0,0,0,0|2,0,0]=4 1616 B9R1.8 c1cnccc1C=NO TS59376 [0,2,0,0,0,0|1,1,0]=4 1617 B9R1.8 c1cnccc1CCN TS09522 [0,2,0,0,0,0|2,0,0]=4 1618 B9R1.8 c1cnccc1CCO TS70737 [0,2,0,0,0,0|1,1,0]=4 1619 B9R1.8 c1cnccc1CCS TS06395 [0,2,0,0,0,0|1,0,0]=3 1620 B9R1.8 c1cnccc1CCS TS46022 [0,2,0,0,0,0|1,0,0]=3 1621 B9R1.8 c1cnccc1CNN TS85585 [0,2,0,0,0,0|2,0,0]=4 1622 B9R1.8 c1cnccc1N=C=S TS37005 [0,2,0,0,0,0|1,0,1]=4 1623 B9R1.15 C#Cc1ccccc1Br TS48023 [0,2,0,0,0,0|1,0,0]=3 1624 B9R1.15 C#Cc1ccccc1Cl TS55288 [0,2,0,0,0,0|1,0,0]=3 1625 B9R1.15 C#Cc1ccccc1F TS77181 [0,2,0,0,0,0|1,0,0]=3 1626 B9R1.15 C#Cc1ccccc1O TS55318 [0,2,0,0,0,0|0,1,0]=3 1627 B9R1.15 C=Cc1ccccc1Br TS55173 [0,2,0,0,0,0|1,0,0]=3 1628 B9R1.15 C=Cc1ccccc1Cl TS00968 [0,2,0,0,0,0|1,0,0]=3 1629 B9R1.15 C=Cc1ccccc1F TS32504 [0,2,0,0,0,0|1,0,0]=3 1630 B9R1.15 C=Cc1ccccc1I TS24807 [0,2,0,0,0,0|1,0,0]=3 1631 B9R1.15 CC[n+]1ccccc1Br TS33546 [0,2,0,0,0,0|2,0,0]=4 1632 B9R1.15 CCc1cccc[n+]1[O-] TS32558 [0,2,0,0,0,0|1,1,0]=4 1633 B9R1.15 CCc1ccccc1Br TS15420 [0,2,0,0,0,0|1,0,0]=3 1634 B9R1.15 CCc1ccccc1C TS16337 [0,2,0,0,0,0|1,0,0]=3 1635 B9R1.15 CCc1ccccc1Cl TS37450 [0,2,0,0,0,0|1,0,0]=3 1636 B9R1.15 CCc1ccccc1I TS25157 [0,2,0,0,0,0|1,0,0]=3 1637 B9R1.15 CCc1ccccc1N TS32474 [0,2,0,0,0,0|1,0,0]=3 1638 B9R1.15 CCc1ccccc1O TS04900 [0,2,0,0,0,0|0,1,0]=3 1639 B9R1.15 CCc1ccccc1S TS06304 [0,2,0,0,0,0|0,0,0]=2 1640 B9R1.15 CCc1cccnc1C TS32475 [0,2,0,0,0,0|2,0,0]=4 1641 B9R1.15 CCc1ccncc1C TS32464 [0,2,0,0,0,0|2,0,0]=4 1642 B9R1.15 CCc1cnccc1Br TS92322 [0,2,0,0,0,0|2,0,0]=4 1643 B9R1.15 CCc1cnccc1C TS32480 [0,2,0,0,0,0|2,0,0]=4 1644 B9R1.15 CNc1c(cccn1)Br TS49024 [0,2,0,0,0,0|2,0,0]=4 1645 B9R1.15 CNc1c(cccn1)Cl TS44725 [0,2,0,0,0,0|2,0,0]=4 1646 B9R1.15 CNc1ccccc1Cl TS37531 [0,2,0,0,0,0|1,0,0]=3 1647 B9R1.15 CNc1ccccc1F TS56413 [0,2,0,0,0,0|1,0,0]=3 1648 B9R1.15 CNc1ccccc1N TS01587 [0,2,0,0,0,0|1,0,0]=3 1649 B9R1.15 CNc1ccccc1N TS41998 [0,2,0,0,0,0|1,0,0]=3 1650 B9R1.15 CNc1ccccc1N TS60152 [0,2,0,0,0,0|1,0,0]=3 1651 B9R1.15 CNc1ccccc1O TS04968 [0,2,0,0,0,0|0,1,0]=3 1652 B9R1.15 CNc1cccnc1Br TS49018 [0,2,0,0,0,0|2,0,0]=4 1653 B9R1.15 CNc1cccnc1Cl TS06799 [0,2,0,0,0,0|2,0,0]=4 1654 B9R1.15 CNc1cccnc1Cl TS46508 [0,2,0,0,0,0|2,0,0]=4 1655 B9R1.15 CNc1ccncc1N TS32563 [0,2,0,0,0,0|2,0,0]=4 1656 B9R1.15 COc1c(cccn1)Br TS65905 [0,2,0,0,0,0|1,1,0]=4 1657 B9R1.15 COc1c(cccn1)Cl TS65976 [0,2,0,0,0,0|1,1,0]=4 1658 B9R1.15 COc1c(cccn1)F TS36212 [0,2,0,0,0,0|1,1,0]=4 1659 B9R1.15 COc1c(cccn1)I TS02808 [0,2,0,0,0,0|1,1,0]=4 1660 B9R1.15 COc1c(cccn1)N TS02635 [0,2,0,0,0,0|1,1,0]=4 1661 B9R1.15 COc1ccccc1Br TS00023 [0,2,0,0,0,0|0,1,0]=3 1662 B9R1.15 COc1ccccc1Cl TS37688 [0,2,0,0,0,0|0,1,0]=3 1663 B9R1.15 COc1ccccc1F TS60288 [0,2,0,0,0,0|0,1,0]=3 1664 B9R1.15 COc1ccccc1I TS09308 [0,2,0,0,0,0|0,1,0]=3 1665 B9R1.15 COc1ccccc1N TS29238 [0,2,0,0,0,0|0,1,0]=3 1666 B9R1.15 COc1ccccc1N TS59329 [0,2,0,0,0,0|0,1,0]=3 1667 B9R1.15 COc1ccccc1P TS06425 [0,2,0,0,0,0|0,1,0]=3 1668 B9R1.15 COc1ccccc1S TS37393 [0,2,0,0,0,0|0,0,0]=2 1669 B9R1.15 COc1ccccc1[Zn+] TS74540 [0,2,0,0,0,0|0,1,0]=3 1670 B9R1.15 COc1cccnc1Br TS08305 [0,2,0,0,0,0|1,1,0]=4 1671 B9R1.15 COc1cccnc1Cl TS55198 [0,2,0,0,0,0|1,1,0]=4 1672 B9R1.15 COc1cccnc1I TS25665 [0,2,0,0,0,0|1,1,0]=4 1673 B9R1.15 COc1cccnc1N TS47373 [0,2,0,0,0,0|1,1,0]=4 1674 B9R1.15 COc1cccnc1O TS55383 [0,2,0,0,0,0|1,1,0]=4 1675 B9R1.15 COc1ccncc1Br TS09454 [0,2,0,0,0,0|1,1,0]=4 1676 B9R1.15 COc1ccncc1I TS02810 [0,2,0,0,0,0|1,1,0]=4 1677 B9R1.15 COc1ccncc1N TS65861 [0,2,0,0,0,0|1,1,0]=4 1678 B9R1.15 CSc1ccccc1Br TS19526 [0,2,0,0,0,0|0,0,0]=2 1679 B9R1.15 CSc1ccccc1Cl TS42002 [0,2,0,0,0,0|0,0,0]=2 1680 B9R1.15 CSc1ccccc1F TS06689 [0,2,0,0,0,0|0,0,0]=2 1681 B9R1.15 CSc1ccccc1I TS27990 [0,2,0,0,0,0|0,0,0]=2 1682 B9R1.15 CSc1ccccc1O TS37395 [0,2,0,0,0,0|0,0,0]=2 1683 B9R1.15 CSc1ccccc1[Zn+] TS76795 [0,2,0,0,0,0|0,0,0]=2 1684 B9R1.15 Cc1c(cccn1)C#N TS60304 [0,2,0,0,0,0|2,0,0]=4 1685 B9R1.15 Cc1c(cccn1)C=O TS02436 [0,2,0,0,0,0|1,1,0]=4 1686 B9R1.15 Cc1c(cccn1)CBr TS87803 [0,2,0,0,0,0|2,0,0]=4 1687 B9R1.15 Cc1c(cccn1)CCl TS90028 [0,2,0,0,0,0|2,0,0]=4 1688 B9R1.15 Cc1c(cccn1)CN TS32520 [0,2,0,0,0,0|2,0,0]=4 1689 B9R1.15 Cc1c(cccn1)CO TS04969 [0,2,0,0,0,0|1,1,0]=4 1690 B9R1.15 Cc1c(cccn1)OC TS04964 [0,2,0,0,0,0|1,1,0]=4 1691 B9R1.15 Cc1c(nccn1)SC TS37401 [0,2,0,0,0,0|2,0,0]=4 1692 B9R1.15 Cc1ccccc1C#C TS02442 [0,2,0,0,0,0|1,0,0]=3 1693 B9R1.15 Cc1ccccc1C#N TS04680 [0,2,0,0,0,0|1,0,0]=3 1694 B9R1.15 Cc1ccccc1C=C TS02453 [0,2,0,0,0,0|1,0,0]=3 1695 B9R1.15 Cc1ccccc1C=O TS04808 [0,2,0,0,0,0|0,1,0]=3 1696 B9R1.15 Cc1ccccc1CBr TS01133 [0,2,0,0,0,0|1,0,0]=3 1697 B9R1.15 Cc1ccccc1CCl TS37456 [0,2,0,0,0,0|1,0,0]=3 1698 B9R1.15 Cc1ccccc1CN TS04867 [0,2,0,0,0,0|1,0,0]=3 1699 B9R1.15 Cc1ccccc1CO TS04907 [0,2,0,0,0,0|0,1,0]=3 1700 B9R1.15 Cc1ccccc1CS TS06308 [0,2,0,0,0,0|0,0,0]=2 1701 B9R1.15 Cc1ccccc1NC TS32471 [0,2,0,0,0,0|1,0,0]=3 1702 B9R1.15 Cc1ccccc1NN TS60156 [0,2,0,0,0,0|1,0,0]=3 1703 B9R1.15 Cc1ccccc1OC TS32508 [0,2,0,0,0,0|0,1,0]=3 1704 B9R1.15 Cc1ccccc1[Mg]Br TS52065 [0,2,0,0,0,0|1,0,0]=3 1705 B9R1.15 Cc1ccccc1[Mg]Cl TS40954 [0,2,0,0,0,0|1,0,0]=3 1706 B9R1.15 Cc1cccnc1C#N TS55290 [0,2,0,0,0,0|2,0,0]=4 1707 B9R1.15 Cc1cccnc1C=O TS70677 [0,2,0,0,0,0|1,1,0]=4 1708 B9R1.15 Cc1cccnc1CCl TS91176 [0,2,0,0,0,0|2,0,0]=4 1709 B9R1.15 Cc1cccnc1CN TS32513 [0,2,0,0,0,0|2,0,0]=4 1710 B9R1.15 Cc1cccnc1CO TS04977 [0,2,0,0,0,0|1,1,0]=4 1711 B9R1.15 Cc1cccnc1OC TS04965 [0,2,0,0,0,0|1,1,0]=4 1712 B9R1.15 Cc1ccncc1C#N TS66015 [0,2,0,0,0,0|2,0,0]=4 1713 B9R1.15 Cc1ccncc1C=O TS32454 [0,2,0,0,0,0|1,1,0]=4 1714 B9R1.15 Cc1ccncc1CCl TS88594 [0,2,0,0,0,0|2,0,0]=4 1715 B9R1.15 Cc1ccncc1CN TS04915 [0,2,0,0,0,0|2,0,0]=4 1716 B9R1.15 Cc1ccncc1CO TS04980 [0,2,0,0,0,0|1,1,0]=4 1717 B9R1.15 Cc1ccncc1NC TS04920 [0,2,0,0,0,0|2,0,0]=4 1718 B9R1.15 Cc1cnccc1C#N TS88896 [0,2,0,0,0,0|2,0,0]=4 1719 B9R1.15 Cc1cnccc1C=O TS02833 [0,2,0,0,0,0|1,1,0]=4 1720 B9R1.15 Cc1cnccc1CCl TS89010 [0,2,0,0,0,0|2,0,0]=4 1721 B9R1.15 Cc1cnccc1CN TS32519 [0,2,0,0,0,0|2,0,0]=4 1722 B9R1.15 Cc1cnccc1CO TS91100 [0,2,0,0,0,0|1,1,0]=4 1723 B9R1.15 [C-]#[N+]c1ccccc1Br TS14868 [0,2,0,0,0,0|1,0,0]=3 1724 B9R1.15 [C-]#[N+]c1ccccc1Cl TS37133 [0,2,0,0,0,0|1,0,0]=3 1725 B9R1.15 c1cc(c(nc1)Br)C#N TS08295 [0,2,0,0,0,0|2,0,0]=4 1726 B9R1.15 c1cc(c(nc1)Br)C=O TS08314 [0,2,0,0,0,0|1,1,0]=4 1727 B9R1.15 c1cc(c(nc1)Br)CBr TS55083 [0,2,0,0,0,0|2,0,0]=4 1728 B9R1.15 c1cc(c(nc1)C#N)Br TS16860 [0,2,0,0,0,0|2,0,0]=4 1729 B9R1.15 c1cc(c(nc1)C#N)Cl TS65964 [0,2,0,0,0,0|2,0,0]=4 1730 B9R1.15 c1cc(c(nc1)C#N)F TS00973 [0,2,0,0,0,0|2,0,0]=4 1731 B9R1.15 c1cc(c(nc1)C#N)I TS52930 [0,2,0,0,0,0|2,0,0]=4 1732 B9R1.15 c1cc(c(nc1)C#N)N TS02628 [0,2,0,0,0,0|2,0,0]=4 1733 B9R1.15 c1cc(c(nc1)C#N)O TS55289 [0,2,0,0,0,0|1,1,0]=4 1734 B9R1.15 c1cc(c(nc1)C=O)Cl TS85387 [0,2,0,0,0,0|1,1,0]=4 1735 B9R1.15 c1cc(c(nc1)C=O)F TS70563 [0,2,0,0,0,0|1,1,0]=4 1736 B9R1.15 c1cc(c(nc1)C=O)N TS32498 [0,2,0,0,0,0|1,1,0]=4 1737 B9R1.15 c1cc(c(nc1)C=O)O TS02794 [0,2,0,0,0,0|1,1,0]=4 1738 B9R1.15 c1cc(c(nc1)CBr)F TS85731 [0,2,0,0,0,0|2,0,0]=4 1739 B9R1.15 c1cc(c(nc1)CBr)O TS08820 [0,2,0,0,0,0|1,1,0]=4 1740 B9R1.15 c1cc(c(nc1)CCl)F TS86737 [0,2,0,0,0,0|2,0,0]=4 1741 B9R1.15 c1cc(c(nc1)CN)F TS86282 [0,2,0,0,0,0|2,0,0]=4 1742 B9R1.15 c1cc(c(nc1)CO)F TS88540 [0,2,0,0,0,0|1,1,0]=4 1743 B9R1.15 c1cc(c(nc1)CO)N TS05011 [0,2,0,0,0,0|1,1,0]=4 1744 B9R1.15 c1cc(c(nc1)CO)O TS55400 [0,2,0,0,0,0|1,1,0]=4 1745 B9R1.15 c1cc(c(nc1)CO)O TS70604 [0,2,0,0,0,0|1,1,0]=4 1746 B9R1.15 c1cc(c(nc1)Cl)C#N TS55285 [0,2,0,0,0,0|2,0,0]=4 1747 B9R1.15 c1cc(c(nc1)Cl)C=O TS55210 [0,2,0,0,0,0|1,1,0]=4 1748 B9R1.15 c1cc(c(nc1)Cl)CCl TS86687 [0,2,0,0,0,0|2,0,0]=4 1749 B9R1.15 c1cc(c(nc1)Cl)CO TS55211 [0,2,0,0,0,0|1,1,0]=4 1750 B9R1.15 c1cc(c(nc1)F)C#N TS32483 [0,2,0,0,0,0|2,0,0]=4 1751 B9R1.15 c1cc(c(nc1)F)C=O TS55324 [0,2,0,0,0,0|1,1,0]=4 1752 B9R1.15 c1cc(c(nc1)F)CN TS08409 [0,2,0,0,0,0|2,0,0]=4 1753 B9R1.15 c1cc(c(nc1)F)CO TS55320 [0,2,0,0,0,0|1,1,0]=4 1754 B9R1.15 c1cc(c(nc1)N)C#N TS47359 [0,2,0,0,0,0|2,0,0]=4 1755 B9R1.15 c1cc(c(nc1)N)CCl TS08290 [0,2,0,0,0,0|2,0,0]=4 1756 B9R1.15 c1cc(c(nc1)N)CO TS47364 [0,2,0,0,0,0|1,1,0]=4 1757 B9R1.15 c1cc(c(nc1)NN)Cl TS60341 [0,2,0,0,0,0|2,0,0]=4 1758 B9R1.15 c1cc(c(nc1)O)C#N TS07723 [0,2,0,0,0,0|1,1,0]=4 1759 B9R1.15 c1cc(c(nc1)O)C=O TS09407 [0,2,0,0,0,0|1,1,0]=4 1760 B9R1.15 c1cc(c(nc1)O)CN TS42244 [0,2,0,0,0,0|1,1,0]=4 1761 B9R1.15 c1ccc(c(c1)C#N)Br TS08819 [0,2,0,0,0,0|1,0,0]=3 1762 B9R1.15 c1ccc(c(c1)C#N)Cl TS37134 [0,2,0,0,0,0|1,0,0]=3 1763 B9R1.15 c1ccc(c(c1)C#N)F TS01022 [0,2,0,0,0,0|1,0,0]=3 1764 B9R1.15 c1ccc(c(c1)C#N)I TS60301 [0,2,0,0,0,0|1,0,0]=3 1765 B9R1.15 c1ccc(c(c1)C#N)N TS47464 [0,2,0,0,0,0|1,0,0]=3 1766 B9R1.15 c1ccc(c(c1)C#N)O TS09306 [0,2,0,0,0,0|0,1,0]=3 1767 B9R1.15 c1ccc(c(c1)C#N)[Zn+] TS27646 [0,2,0,0,0,0|1,0,0]=3 1768 B9R1.15 c1ccc(c(c1)C=O)Br TS55151 [0,2,0,0,0,0|0,1,0]=3 1769 B9R1.15 c1ccc(c(c1)C=O)Cl TS00949 [0,2,0,0,0,0|0,1,0]=3 1770 B9R1.15 c1ccc(c(c1)C=O)F TS01019 [0,2,0,0,0,0|0,1,0]=3 1771 B9R1.15 c1ccc(c(c1)C=O)I TS02011 [0,2,0,0,0,0|0,1,0]=3 1772 B9R1.15 c1ccc(c(c1)C=O)N TS10911 [0,2,0,0,0,0|0,1,0]=3 1773 B9R1.15 c1ccc(c(c1)C=O)N TS47463 [0,2,0,0,0,0|0,1,0]=3 1774 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [0,2,0,0,0,0|0,1,0]=3 1775 B9R1.15 c1ccc(c(c1)CBr)Br TS55159 [0,2,0,0,0,0|1,0,0]=3 1776 B9R1.15 c1ccc(c(c1)CBr)Cl TS20044 [0,2,0,0,0,0|1,0,0]=3 1777 B9R1.15 c1ccc(c(c1)CBr)F TS01023 [0,2,0,0,0,0|1,0,0]=3 1778 B9R1.15 c1ccc(c(c1)CBr)I TS01081 [0,2,0,0,0,0|1,0,0]=3 1779 B9R1.15 c1ccc(c(c1)CBr)O TS49014 [0,2,0,0,0,0|0,1,0]=3 1780 B9R1.15 c1ccc(c(c1)CCl)Br TS20043 [0,2,0,0,0,0|1,0,0]=3 1781 B9R1.15 c1ccc(c(c1)CCl)Cl TS11356 [0,2,0,0,0,0|1,0,0]=3 1782 B9R1.15 c1ccc(c(c1)CCl)F TS55731 [0,2,0,0,0,0|1,0,0]=3 1783 B9R1.15 c1ccc(c(c1)CN)Br TS23567 [0,2,0,0,0,0|1,0,0]=3 1784 B9R1.15 c1ccc(c(c1)CN)Br TS55158 [0,2,0,0,0,0|1,0,0]=3 1785 B9R1.15 c1ccc(c(c1)CN)Cl TS37533 [0,2,0,0,0,0|1,0,0]=3 1786 B9R1.15 c1ccc(c(c1)CN)F TS65429 [0,2,0,0,0,0|1,0,0]=3 1787 B9R1.15 c1ccc(c(c1)CN)I TS53416 [0,2,0,0,0,0|1,0,0]=3 1788 B9R1.15 c1ccc(c(c1)CN)N TS39642 [0,2,0,0,0,0|1,0,0]=3 1789 B9R1.15 c1ccc(c(c1)CN)O TS04954 [0,2,0,0,0,0|0,1,0]=3 1790 B9R1.15 c1ccc(c(c1)CO)Br TS55157 [0,2,0,0,0,0|0,1,0]=3 1791 B9R1.15 c1ccc(c(c1)CO)Cl TS37683 [0,2,0,0,0,0|0,1,0]=3 1792 B9R1.15 c1ccc(c(c1)CO)F TS36110 [0,2,0,0,0,0|0,1,0]=3 1793 B9R1.15 c1ccc(c(c1)CO)I TS01080 [0,2,0,0,0,0|0,1,0]=3 1794 B9R1.15 c1ccc(c(c1)CO)N TS47468 [0,2,0,0,0,0|0,1,0]=3 1795 B9R1.15 c1ccc(c(c1)CO)O TS32604 [0,2,0,0,0,0|0,1,0]=3 1796 B9R1.15 c1ccc(c(c1)CO)S TS37394 [0,2,0,0,0,0|0,0,0]=2 1797 B9R1.15 c1ccc(c(c1)CS)Br TS19524 [0,2,0,0,0,0|0,0,0]=2 1798 B9R1.15 c1ccc(c(c1)CS)Cl TS42000 [0,2,0,0,0,0|0,0,0]=2 1799 B9R1.15 c1ccc(c(c1)CS)F TS06685 [0,2,0,0,0,0|0,0,0]=2 1800 B9R1.15 c1ccc(c(c1)NN)Br TS08822 [0,2,0,0,0,0|1,0,0]=3 1801 B9R1.15 c1ccc(c(c1)NN)Br TS65388 [0,2,0,0,0,0|1,0,0]=3 1802 B9R1.15 c1ccc(c(c1)NN)F TS01033 [0,2,0,0,0,0|1,0,0]=3 1803 B9R1.15 c1ccc(c(c1)NN)F TS01034 [0,2,0,0,0,0|1,0,0]=3 1804 B9R1.15 c1ccc(c(c1)O)[Hg]Cl TS77784 [0,2,0,0,0,0|0,1,0]=3 1805 B9R1.15 c1cncc(c1Br)C#N TS09573 [0,2,0,0,0,0|2,0,0]=4 1806 B9R1.15 c1cncc(c1Br)C=O TS09580 [0,2,0,0,0,0|1,1,0]=4 1807 B9R1.15 c1cncc(c1C#N)Br TS65919 [0,2,0,0,0,0|2,0,0]=4 1808 B9R1.15 c1cncc(c1C#N)F TS04892 [0,2,0,0,0,0|2,0,0]=4 1809 B9R1.15 c1cncc(c1C#N)I TS52931 [0,2,0,0,0,0|2,0,0]=4 1810 B9R1.15 c1cncc(c1C#N)N TS65856 [0,2,0,0,0,0|2,0,0]=4 1811 B9R1.15 c1cncc(c1C=O)Br TS48819 [0,2,0,0,0,0|1,1,0]=4 1812 B9R1.15 c1cncc(c1C=O)Cl TS02716 [0,2,0,0,0,0|1,1,0]=4 1813 B9R1.15 c1cncc(c1C=O)F TS36047 [0,2,0,0,0,0|1,1,0]=4 1814 B9R1.15 c1cncc(c1C=O)N TS32500 [0,2,0,0,0,0|1,1,0]=4 1815 B9R1.15 c1cncc(c1C=O)O TS02800 [0,2,0,0,0,0|1,1,0]=4 1816 B9R1.15 c1cncc(c1CO)Br TS87802 [0,2,0,0,0,0|1,1,0]=4 1817 B9R1.15 c1cncc(c1CO)F TS90447 [0,2,0,0,0,0|1,1,0]=4 1818 B9R1.15 c1cncc(c1CO)N TS05021 [0,2,0,0,0,0|1,1,0]=4 1819 B9R1.15 c1cncc(c1CO)O TS05089 [0,2,0,0,0,0|1,1,0]=4 1820 B9R1.15 c1cncc(c1Cl)C#N TS71034 [0,2,0,0,0,0|2,0,0]=4 1821 B9R1.15 c1cncc(c1Cl)C=O TS09675 [0,2,0,0,0,0|1,1,0]=4 1822 B9R1.15 c1cncc(c1Cl)CO TS08032 [0,2,0,0,0,0|1,1,0]=4 1823 B9R1.15 c1cncc(c1F)C=O TS33163 [0,2,0,0,0,0|1,1,0]=4 1824 B9R1.15 c1cncc(c1I)C#N TS52929 [0,2,0,0,0,0|2,0,0]=4 1825 B9R1.15 c1cncc(c1N)C#N TS04779 [0,2,0,0,0,0|2,0,0]=4 1826 B9R1.15 c1cncc(c1N)C=O TS70883 [0,2,0,0,0,0|1,1,0]=4 1827 B9R1.15 c1cncc(c1N)CN TS09431 [0,2,0,0,0,0|2,0,0]=4 1828 B9R1.15 c1cncc(c1N)CO TS32608 [0,2,0,0,0,0|1,1,0]=4 1829 B9R1.69 C1=CC(=O)C(=CC1=O)Br TS15751 [0,2,0,0,0,0|0,1,0]=3 1830 B9R1.69 C1=CC(=O)C(=CC1=O)Cl TS37678 [0,2,0,0,0,0|0,1,0]=3 1831 B9R1.69 CC1=CC(=O)C=CC1=O TS32490 [0,2,0,0,0,0|0,1,0]=3 1832 B9R1.69 Cc1c(cc(cn1)Br)Br TS02571 [0,2,0,0,0,0|2,0,0]=4 1833 B9R1.69 Cc1c(cc(cn1)Br)Cl TS89257 [0,2,0,0,0,0|2,0,0]=4 1834 B9R1.69 Cc1c(cc(cn1)Br)N TS49019 [0,2,0,0,0,0|2,0,0]=4 1835 B9R1.69 Cc1c(cc(cn1)Br)O TS15906 [0,2,0,0,0,0|1,1,0]=4 1836 B9R1.69 Cc1c(cc(cn1)Cl)N TS88641 [0,2,0,0,0,0|2,0,0]=4 1837 B9R1.69 Cc1c(cc(cn1)N)Br TS03226 [0,2,0,0,0,0|2,0,0]=4 1838 B9R1.69 Cc1c(ccc(n1)Br)Br TS47246 [0,2,0,0,0,0|2,0,0]=4 1839 B9R1.69 Cc1c(ccc(n1)Br)F TS51005 [0,2,0,0,0,0|2,0,0]=4 1840 B9R1.69 Cc1c(ccc(n1)Br)F TS85438 [0,2,0,0,0,0|2,0,0]=4 1841 B9R1.69 Cc1c(ccc(n1)Br)N TS71351 [0,2,0,0,0,0|2,0,0]=4 1842 B9R1.69 Cc1c(ccc(n1)Cl)Br TS09467 [0,2,0,0,0,0|2,0,0]=4 1843 B9R1.69 Cc1c(ccc(n1)Cl)F TS55571 [0,2,0,0,0,0|2,0,0]=4 1844 B9R1.69 Cc1c(ccc(n1)Cl)I TS28512 [0,2,0,0,0,0|2,0,0]=4 1845 B9R1.69 Cc1c(ccc(n1)Cl)N TS65867 [0,2,0,0,0,0|2,0,0]=4 1846 B9R1.69 Cc1c(ccc(n1)F)Br TS09469 [0,2,0,0,0,0|2,0,0]=4 1847 B9R1.69 Cc1c(ccc(n1)F)I TS85259 [0,2,0,0,0,0|2,0,0]=4 1848 B9R1.69 Cc1c(ccc(n1)F)N TS36112 [0,2,0,0,0,0|2,0,0]=4 1849 B9R1.69 Cc1c(ccc(n1)N)Br TS47426 [0,2,0,0,0,0|2,0,0]=4 1850 B9R1.69 Cc1c(ccc(n1)N)Cl TS06806 [0,2,0,0,0,0|2,0,0]=4 1851 B9R1.69 Cc1c(ccc(n1)N)F TS09105 [0,2,0,0,0,0|2,0,0]=4 1852 B9R1.69 Cc1c(ccc(n1)N)I TS47434 [0,2,0,0,0,0|2,0,0]=4 1853 B9R1.69 Cc1c(ccc(n1)N)N TS32572 [0,2,0,0,0,0|2,0,0]=4 1854 B9R1.69 Cc1c(ccc(n1)O)Br TS09470 [0,2,0,0,0,0|1,1,0]=4 1855 B9R1.69 Cc1c(ccc(n1)O)N TS32613 [0,2,0,0,0,0|1,1,0]=4 1856 B9R1.69 Cc1cc(c(cn1)Br)Cl TS89287 [0,2,0,0,0,0|2,0,0]=4 1857 B9R1.69 Cc1cc(c(cn1)Br)N TS09798 [0,2,0,0,0,0|2,0,0]=4 1858 B9R1.69 Cc1cc(c(cn1)Cl)Cl TS02900 [0,2,0,0,0,0|2,0,0]=4 1859 B9R1.69 Cc1cc(c(cn1)Cl)N TS37693 [0,2,0,0,0,0|2,0,0]=4 1860 B9R1.69 Cc1cc(c(cn1)F)Cl TS07141 [0,2,0,0,0,0|2,0,0]=4 1861 B9R1.69 Cc1cc(c(cn1)N)N TS01272 [0,2,0,0,0,0|2,0,0]=4 1862 B9R1.69 Cc1cc(c(nc1)Br)Br TS47134 [0,2,0,0,0,0|2,0,0]=4 1863 B9R1.69 Cc1cc(c(nc1)Br)Cl TS08291 [0,2,0,0,0,0|2,0,0]=4 1864 B9R1.69 Cc1cc(c(nc1)Br)F TS51006 [0,2,0,0,0,0|2,0,0]=4 1865 B9R1.69 Cc1cc(c(nc1)Br)I TS55993 [0,2,0,0,0,0|2,0,0]=4 1866 B9R1.69 Cc1cc(c(nc1)Br)N TS55086 [0,2,0,0,0,0|2,0,0]=4 1867 B9R1.69 Cc1cc(c(nc1)C)Br TS48831 [0,2,0,0,0,0|2,0,0]=4 1868 B9R1.69 Cc1cc(c(nc1)C)C TS04868 [0,2,0,0,0,0|2,0,0]=4 1869 B9R1.69 Cc1cc(c(nc1)Cl)Cl TS11476 [0,2,0,0,0,0|2,0,0]=4 1870 B9R1.69 Cc1cc(c(nc1)Cl)F TS08396 [0,2,0,0,0,0|2,0,0]=4 1871 B9R1.69 Cc1cc(c(nc1)Cl)I TS28510 [0,2,0,0,0,0|2,0,0]=4 1872 B9R1.69 Cc1cc(c(nc1)Cl)N TS02676 [0,2,0,0,0,0|2,0,0]=4 1873 B9R1.69 Cc1cc(c(nc1)F)Br TS16862 [0,2,0,0,0,0|2,0,0]=4 1874 B9R1.69 Cc1cc(c(nc1)F)I TS02160 [0,2,0,0,0,0|2,0,0]=4 1875 B9R1.69 Cc1cc(c(nc1)N)Br TS08281 [0,2,0,0,0,0|2,0,0]=4 1876 B9R1.69 Cc1cc(c(nc1)N)O TS05015 [0,2,0,0,0,0|1,1,0]=4 1877 B9R1.69 Cc1cc(c(nc1)O)Br TS15901 [0,2,0,0,0,0|1,1,0]=4 1878 B9R1.69 Cc1cc(c(nc1)O)N TS32609 [0,2,0,0,0,0|1,1,0]=4 1879 B9R1.69 Cc1cc(ccc1Br)Br TS27975 [0,2,0,0,0,0|1,0,0]=3 1880 B9R1.69 Cc1cc(ccc1Br)Cl TS65377 [0,2,0,0,0,0|1,0,0]=3 1881 B9R1.69 Cc1cc(ccc1Br)F TS85460 [0,2,0,0,0,0|1,0,0]=3 1882 B9R1.69 Cc1cc(ccc1Br)I TS08348 [0,2,0,0,0,0|1,0,0]=3 1883 B9R1.69 Cc1cc(ccc1Br)N TS09584 [0,2,0,0,0,0|1,0,0]=3 1884 B9R1.69 Cc1cc(ccc1Br)O TS09587 [0,2,0,0,0,0|0,1,0]=3 1885 B9R1.69 Cc1cc(ccc1Cl)Br TS39530 [0,2,0,0,0,0|1,0,0]=3 1886 B9R1.69 Cc1cc(ccc1Cl)Cl TS11354 [0,2,0,0,0,0|1,0,0]=3 1887 B9R1.69 Cc1cc(ccc1Cl)F TS40274 [0,2,0,0,0,0|1,0,0]=3 1888 B9R1.69 Cc1cc(ccc1Cl)I TS65398 [0,2,0,0,0,0|1,0,0]=3 1889 B9R1.69 Cc1cc(ccc1Cl)N TS09644 [0,2,0,0,0,0|1,0,0]=3 1890 B9R1.69 Cc1cc(ccc1Cl)O TS09645 [0,2,0,0,0,0|0,1,0]=3 1891 B9R1.69 Cc1cc(ccc1F)Br TS16784 [0,2,0,0,0,0|1,0,0]=3 1892 B9R1.69 Cc1cc(ccc1F)Cl TS65151 [0,2,0,0,0,0|1,0,0]=3 1893 B9R1.69 Cc1cc(ccc1F)F TS22993 [0,2,0,0,0,0|1,0,0]=3 1894 B9R1.69 Cc1cc(ccc1F)I TS65051 [0,2,0,0,0,0|1,0,0]=3 1895 B9R1.69 Cc1cc(ccc1F)N TS36056 [0,2,0,0,0,0|1,0,0]=3 1896 B9R1.69 Cc1cc(ccc1F)O TS71121 [0,2,0,0,0,0|0,1,0]=3 1897 B9R1.69 Cc1cc(ccc1F)S TS06691 [0,2,0,0,0,0|0,0,0]=2 1898 B9R1.69 Cc1cc(ccc1I)Br TS59717 [0,2,0,0,0,0|1,0,0]=3 1899 B9R1.69 Cc1cc(ccc1I)Cl TS71500 [0,2,0,0,0,0|1,0,0]=3 1900 B9R1.69 Cc1cc(ccc1I)F TS71539 [0,2,0,0,0,0|1,0,0]=3 1901 B9R1.69 Cc1cc(ccc1I)I TS78661 [0,2,0,0,0,0|1,0,0]=3 1902 B9R1.69 Cc1cc(ccc1N)Br TS23566 [0,2,0,0,0,0|1,0,0]=3 1903 B9R1.69 Cc1cc(ccc1N)Br TS93925 [0,2,0,0,0,0|1,0,0]=3 1904 B9R1.69 Cc1cc(ccc1N)Cl TS46376 [0,2,0,0,0,0|1,0,0]=3 1905 B9R1.69 Cc1cc(ccc1N)Cl TS71019 [0,2,0,0,0,0|1,0,0]=3 1906 B9R1.69 Cc1cc(ccc1N)I TS71186 [0,2,0,0,0,0|1,0,0]=3 1907 B9R1.69 Cc1cc(ccc1N)N TS00178 [0,2,0,0,0,0|1,0,0]=3 1908 B9R1.69 Cc1cc(ccc1N)N TS17999 [0,2,0,0,0,0|1,0,0]=3 1909 B9R1.69 Cc1cc(ccc1N)N TS23083 [0,2,0,0,0,0|1,0,0]=3 1910 B9R1.69 Cc1cc(ccc1N)O TS02998 [0,2,0,0,0,0|0,1,0]=3 1911 B9R1.69 Cc1cc(ccc1O)Br TS01121 [0,2,0,0,0,0|0,1,0]=3 1912 B9R1.69 Cc1cc(ccc1O)Cl TS32635 [0,2,0,0,0,0|0,1,0]=3 1913 B9R1.69 Cc1cc(ccc1O)F TS09704 [0,2,0,0,0,0|0,1,0]=3 1914 B9R1.69 Cc1cc(ccc1O)I TS53550 [0,2,0,0,0,0|0,1,0]=3 1915 B9R1.69 Cc1cc(ccc1O)N TS08867 [0,2,0,0,0,0|0,1,0]=3 1916 B9R1.69 Cc1cc(ccc1O)O TS32600 [0,2,0,0,0,0|0,1,0]=3 1917 B9R1.69 Cc1cc(ccc1O)S TS70667 [0,2,0,0,0,0|0,0,0]=2 1918 B9R1.69 Cc1cc(cnc1Br)Br TS47243 [0,2,0,0,0,0|2,0,0]=4 1919 B9R1.69 Cc1cc(cnc1Br)Cl TS39092 [0,2,0,0,0,0|2,0,0]=4 1920 B9R1.69 Cc1cc(cnc1Br)F TS16270 [0,2,0,0,0,0|2,0,0]=4 1921 B9R1.69 Cc1cc(cnc1Br)I TS55994 [0,2,0,0,0,0|2,0,0]=4 1922 B9R1.69 Cc1cc(cnc1Br)O TS15904 [0,2,0,0,0,0|1,1,0]=4 1923 B9R1.69 Cc1cc(cnc1Cl)Cl TS47254 [0,2,0,0,0,0|2,0,0]=4 1924 B9R1.69 Cc1cc(cnc1Cl)F TS55240 [0,2,0,0,0,0|2,0,0]=4 1925 B9R1.69 Cc1cc(cnc1Cl)I TS28511 [0,2,0,0,0,0|2,0,0]=4 1926 B9R1.69 Cc1cc(cnc1Cl)N TS71355 [0,2,0,0,0,0|2,0,0]=4 1927 B9R1.69 Cc1cc(cnc1Cl)O TS90895 [0,2,0,0,0,0|1,1,0]=4 1928 B9R1.69 Cc1cc(cnc1F)Br TS71418 [0,2,0,0,0,0|2,0,0]=4 1929 B9R1.69 Cc1cc(cnc1F)Cl TS09836 [0,2,0,0,0,0|2,0,0]=4 1930 B9R1.69 Cc1cc(cnc1F)I TS25995 [0,2,0,0,0,0|2,0,0]=4 1931 B9R1.69 Cc1cc(cnc1F)N TS71359 [0,2,0,0,0,0|2,0,0]=4 1932 B9R1.69 Cc1cc(cnc1I)Br TS55995 [0,2,0,0,0,0|2,0,0]=4 1933 B9R1.69 Cc1cc(cnc1N)Br TS00769 [0,2,0,0,0,0|2,0,0]=4 1934 B9R1.69 Cc1cc(cnc1N)Cl TS47374 [0,2,0,0,0,0|2,0,0]=4 1935 B9R1.69 Cc1cc(cnc1N)F TS03314 [0,2,0,0,0,0|2,0,0]=4 1936 B9R1.69 Cc1cc(cnc1N)I TS47433 [0,2,0,0,0,0|2,0,0]=4 1937 B9R1.69 Cc1cc(cnc1N)N TS32578 [0,2,0,0,0,0|2,0,0]=4 1938 B9R1.69 Cc1cc(cnc1O)Br TS01048 [0,2,0,0,0,0|1,1,0]=4 1939 B9R1.69 Cc1cc(cnc1O)Cl TS06904 [0,2,0,0,0,0|1,1,0]=4 1940 B9R1.69 Cc1cc(cnc1O)I TS25667 [0,2,0,0,0,0|1,1,0]=4 1941 B9R1.69 Cc1cc(cnc1O)N TS05009 [0,2,0,0,0,0|1,1,0]=4 1942 B9R1.69 Cc1cc(ncc1Br)Br TS47245 [0,2,0,0,0,0|2,0,0]=4 1943 B9R1.69 Cc1cc(ncc1Br)Cl TS55229 [0,2,0,0,0,0|2,0,0]=4 1944 B9R1.69 Cc1cc(ncc1Br)F TS85252 [0,2,0,0,0,0|2,0,0]=4 1945 B9R1.69 Cc1cc(ncc1Br)N TS47423 [0,2,0,0,0,0|2,0,0]=4 1946 B9R1.69 Cc1cc(ncc1Br)O TS50643 [0,2,0,0,0,0|1,1,0]=4 1947 B9R1.69 Cc1cc(ncc1Cl)Cl TS11472 [0,2,0,0,0,0|2,0,0]=4 1948 B9R1.69 Cc1cc(ncc1Cl)F TS65149 [0,2,0,0,0,0|2,0,0]=4 1949 B9R1.69 Cc1cc(ncc1Cl)N TS37690 [0,2,0,0,0,0|2,0,0]=4 1950 B9R1.69 Cc1cc(ncc1F)Br TS16269 [0,2,0,0,0,0|2,0,0]=4 1951 B9R1.69 Cc1cc(ncc1F)Cl TS55242 [0,2,0,0,0,0|2,0,0]=4 1952 B9R1.69 Cc1cc(ncc1F)N TS00784 [0,2,0,0,0,0|2,0,0]=4 1953 B9R1.69 Cc1cc(ncc1I)F TS25994 [0,2,0,0,0,0|2,0,0]=4 1954 B9R1.69 Cc1cc(ncc1I)N TS53553 [0,2,0,0,0,0|2,0,0]=4 1955 B9R1.69 Cc1cc(ncc1N)Br TS71350 [0,2,0,0,0,0|2,0,0]=4 1956 B9R1.69 Cc1cc(ncc1N)Cl TS85166 [0,2,0,0,0,0|2,0,0]=4 1957 B9R1.69 Cc1cc(ncc1N)N TS32570 [0,2,0,0,0,0|2,0,0]=4 1958 B9R1.69 Cc1cc[n+](c(c1)C)[O-] TS32562 [0,2,0,0,0,0|1,1,0]=4 1959 B9R1.69 Cc1ccc(c(c1)Br)Br TS65445 [0,2,0,0,0,0|1,0,0]=3 1960 B9R1.69 Cc1ccc(c(c1)Br)C TS47274 [0,2,0,0,0,0|1,0,0]=3 1961 B9R1.69 Cc1ccc(c(c1)Br)Cl TS20046 [0,2,0,0,0,0|1,0,0]=3 1962 B9R1.69 Cc1ccc(c(c1)Br)F TS50843 [0,2,0,0,0,0|1,0,0]=3 1963 B9R1.69 Cc1ccc(c(c1)Br)I TS58697 [0,2,0,0,0,0|1,0,0]=3 1964 B9R1.69 Cc1ccc(c(c1)Br)N TS08330 [0,2,0,0,0,0|1,0,0]=3 1965 B9R1.69 Cc1ccc(c(c1)Br)O TS16847 [0,2,0,0,0,0|0,1,0]=3 1966 B9R1.69 Cc1ccc(c(c1)Br)S TS19523 [0,2,0,0,0,0|0,0,0]=2 1967 B9R1.69 Cc1ccc(c(c1)C)Br TS46909 [0,2,0,0,0,0|1,0,0]=3 1968 B9R1.69 Cc1ccc(c(c1)C)C TS04828 [0,2,0,0,0,0|1,0,0]=3 1969 B9R1.69 Cc1ccc(c(c1)C)Cl TS37451 [0,2,0,0,0,0|1,0,0]=3 1970 B9R1.69 Cc1ccc(c(c1)C)F TS05028 [0,2,0,0,0,0|1,0,0]=3 1971 B9R1.69 Cc1ccc(c(c1)C)I TS25159 [0,2,0,0,0,0|1,0,0]=3 1972 B9R1.69 Cc1ccc(c(c1)C)N TS07913 [0,2,0,0,0,0|1,0,0]=3 1973 B9R1.69 Cc1ccc(c(c1)C)N TS10928 [0,2,0,0,0,0|1,0,0]=3 1974 B9R1.69 Cc1ccc(c(c1)C)O TS04909 [0,2,0,0,0,0|0,1,0]=3 1975 B9R1.69 Cc1ccc(c(c1)C)S TS06302 [0,2,0,0,0,0|0,0,0]=2 1976 B9R1.69 Cc1ccc(c(c1)C)S TS93257 [0,2,0,0,0,0|0,0,0]=2 1977 B9R1.69 Cc1ccc(c(c1)Cl)Br TS20045 [0,2,0,0,0,0|1,0,0]=3 1978 B9R1.69 Cc1ccc(c(c1)Cl)C TS37459 [0,2,0,0,0,0|1,0,0]=3 1979 B9R1.69 Cc1ccc(c(c1)Cl)Cl TS11352 [0,2,0,0,0,0|1,0,0]=3 1980 B9R1.69 Cc1ccc(c(c1)Cl)F TS60347 [0,2,0,0,0,0|1,0,0]=3 1981 B9R1.69 Cc1ccc(c(c1)Cl)I TS60349 [0,2,0,0,0,0|1,0,0]=3 1982 B9R1.69 Cc1ccc(c(c1)Cl)N TS55232 [0,2,0,0,0,0|1,0,0]=3 1983 B9R1.69 Cc1ccc(c(c1)Cl)O TS55235 [0,2,0,0,0,0|0,1,0]=3 1984 B9R1.69 Cc1ccc(c(c1)F)Br TS16767 [0,2,0,0,0,0|1,0,0]=3 1985 B9R1.69 Cc1ccc(c(c1)F)C TS05029 [0,2,0,0,0,0|1,0,0]=3 1986 B9R1.69 Cc1ccc(c(c1)F)Cl TS07782 [0,2,0,0,0,0|1,0,0]=3 1987 B9R1.69 Cc1ccc(c(c1)F)F TS60321 [0,2,0,0,0,0|1,0,0]=3 1988 B9R1.69 Cc1ccc(c(c1)F)I TS16740 [0,2,0,0,0,0|1,0,0]=3 1989 B9R1.69 Cc1ccc(c(c1)F)N TS55340 [0,2,0,0,0,0|1,0,0]=3 1990 B9R1.69 Cc1ccc(c(c1)I)C TS53267 [0,2,0,0,0,0|1,0,0]=3 1991 B9R1.69 Cc1ccc(c(c1)I)F TS09121 [0,2,0,0,0,0|1,0,0]=3 1992 B9R1.69 Cc1ccc(c(c1)I)I TS78660 [0,2,0,0,0,0|1,0,0]=3 1993 B9R1.69 Cc1ccc(c(c1)I)N TS53415 [0,2,0,0,0,0|1,0,0]=3 1994 B9R1.69 Cc1ccc(c(c1)N)Br TS08357 [0,2,0,0,0,0|1,0,0]=3 1995 B9R1.69 Cc1ccc(c(c1)N)C TS32478 [0,2,0,0,0,0|1,0,0]=3 1996 B9R1.69 Cc1ccc(c(c1)N)Cl TS00912 [0,2,0,0,0,0|1,0,0]=3 1997 B9R1.69 Cc1ccc(c(c1)N)F TS65073 [0,2,0,0,0,0|1,0,0]=3 1998 B9R1.69 Cc1ccc(c(c1)N)I TS60299 [0,2,0,0,0,0|1,0,0]=3 1999 B9R1.69 Cc1ccc(c(c1)N)N TS02532 [0,2,0,0,0,0|1,0,0]=3 2000 B9R1.69 Cc1ccc(c(c1)N)O TS04958 [0,2,0,0,0,0|0,1,0]=3 2001 B9R1.69 Cc1ccc(c(c1)N)O TS11194 [0,2,0,0,0,0|0,1,0]=3 2002 B9R1.69 Cc1ccc(c(c1)O)C TS47276 [0,2,0,0,0,0|0,1,0]=3 2003 B9R1.69 Cc1ccc(c(c1)O)Cl TS37680 [0,2,0,0,0,0|0,1,0]=3 2004 B9R1.69 Cc1ccc(c(c1)O)F TS65415 [0,2,0,0,0,0|0,1,0]=3 2005 B9R1.69 Cc1ccc(c(c1)O)N TS32560 [0,2,0,0,0,0|0,1,0]=3 2006 B9R1.69 Cc1ccc(c(c1)O)O TS32594 [0,2,0,0,0,0|0,1,0]=3 2007 B9R1.69 Cc1ccc(c(c1)S)C TS59929 [0,2,0,0,0,0|0,0,0]=2 2008 B9R1.69 Cc1ccc(c(c1)S)S TS26110 [0,2,0,0,0,0|0,0,0]=2 2009 B9R1.69 Cc1ccc(c(c1)S)S TS41709 [0,2,0,0,0,0|0,0,0]=2 2010 B9R1.69 Cc1ccc(c(c1)S)S TS49681 [0,2,0,0,0,0|0,0,0]=2 2011 B9R1.69 Cc1ccc(c(c1)[Zn+])C TS55968 [0,2,0,0,0,0|1,0,0]=3 2012 B9R1.69 Cc1ccc(c(n1)Br)Br TS47137 [0,2,0,0,0,0|2,0,0]=4 2013 B9R1.69 Cc1ccc(c(n1)Br)F TS08296 [0,2,0,0,0,0|2,0,0]=4 2014 B9R1.69 Cc1ccc(c(n1)Br)N TS02622 [0,2,0,0,0,0|2,0,0]=4 2015 B9R1.69 Cc1ccc(c(n1)Br)O TS15902 [0,2,0,0,0,0|1,1,0]=4 2016 B9R1.69 Cc1ccc(c(n1)C)Br TS60331 [0,2,0,0,0,0|2,0,0]=4 2017 B9R1.69 Cc1ccc(c(n1)C)N TS39700 [0,2,0,0,0,0|2,0,0]=4 2018 B9R1.69 Cc1ccc(c(n1)C)O TS47319 [0,2,0,0,0,0|1,1,0]=4 2019 B9R1.69 Cc1ccc(c(n1)Cl)Br TS16856 [0,2,0,0,0,0|2,0,0]=4 2020 B9R1.69 Cc1ccc(c(n1)Cl)Cl TS11475 [0,2,0,0,0,0|2,0,0]=4 2021 B9R1.69 Cc1ccc(c(n1)Cl)F TS07142 [0,2,0,0,0,0|2,0,0]=4 2022 B9R1.69 Cc1ccc(c(n1)Cl)N TS02626 [0,2,0,0,0,0|2,0,0]=4 2023 B9R1.69 Cc1ccc(c(n1)Cl)O TS40117 [0,2,0,0,0,0|1,1,0]=4 2024 B9R1.69 Cc1ccc(c(n1)F)Br TS16863 [0,2,0,0,0,0|2,0,0]=4 2025 B9R1.69 Cc1ccc(c(n1)F)I TS65046 [0,2,0,0,0,0|2,0,0]=4 2026 B9R1.69 Cc1ccc(c(n1)F)N TS36113 [0,2,0,0,0,0|2,0,0]=4 2027 B9R1.69 Cc1ccc(c(n1)F)O TS02159 [0,2,0,0,0,0|1,1,0]=4 2028 B9R1.69 Cc1ccc(c(n1)I)O TS60300 [0,2,0,0,0,0|1,1,0]=4 2029 B9R1.69 Cc1ccc(c(n1)N)Br TS60256 [0,2,0,0,0,0|2,0,0]=4 2030 B9R1.69 Cc1ccc(c(n1)N)I TS39254 [0,2,0,0,0,0|2,0,0]=4 2031 B9R1.69 Cc1ccc(c(n1)N)N TS32571 [0,2,0,0,0,0|2,0,0]=4 2032 B9R1.69 Cc1ccc(c(n1)N)O TS08957 [0,2,0,0,0,0|1,1,0]=4 2033 B9R1.69 Cc1ccc(c(n1)O)Br TS65901 [0,2,0,0,0,0|1,1,0]=4 2034 B9R1.69 Cc1ccc(cc1Br)Br TS47196 [0,2,0,0,0,0|1,0,0]=3 2035 B9R1.69 Cc1ccc(cc1Br)Cl TS55095 [0,2,0,0,0,0|1,0,0]=3 2036 B9R1.69 Cc1ccc(cc1Br)I TS08325 [0,2,0,0,0,0|1,0,0]=3 2037 B9R1.69 Cc1ccc(cc1Br)N TS09455 [0,2,0,0,0,0|1,0,0]=3 2038 B9R1.69 Cc1ccc(cc1C)Br TS39736 [0,2,0,0,0,0|1,0,0]=3 2039 B9R1.69 Cc1ccc(cc1C)Cl TS37457 [0,2,0,0,0,0|1,0,0]=3 2040 B9R1.69 Cc1ccc(cc1C)F TS65457 [0,2,0,0,0,0|1,0,0]=3 2041 B9R1.69 Cc1ccc(cc1C)I TS25161 [0,2,0,0,0,0|1,0,0]=3 2042 B9R1.69 Cc1ccc(cc1C)N TS32462 [0,2,0,0,0,0|1,0,0]=3 2043 B9R1.69 Cc1ccc(cc1C)O TS00123 [0,2,0,0,0,0|0,1,0]=3 2044 B9R1.69 Cc1ccc(cc1C)S TS06303 [0,2,0,0,0,0|0,0,0]=2 2045 B9R1.69 Cc1ccc(cc1Cl)Br TS16935 [0,2,0,0,0,0|1,0,0]=3 2046 B9R1.69 Cc1ccc(cc1Cl)Cl TS07911 [0,2,0,0,0,0|1,0,0]=3 2047 B9R1.69 Cc1ccc(cc1Cl)I TS63184 [0,2,0,0,0,0|1,0,0]=3 2048 B9R1.69 Cc1ccc(cc1Cl)N TS37536 [0,2,0,0,0,0|1,0,0]=3 2049 B9R1.69 Cc1ccc(cc1Cl)O TS65985 [0,2,0,0,0,0|0,1,0]=3 2050 B9R1.69 Cc1ccc(cc1F)Br TS16763 [0,2,0,0,0,0|1,0,0]=3 2051 B9R1.69 Cc1ccc(cc1F)Cl TS40275 [0,2,0,0,0,0|1,0,0]=3 2052 B9R1.69 Cc1ccc(cc1F)F TS47222 [0,2,0,0,0,0|1,0,0]=3 2053 B9R1.69 Cc1ccc(cc1F)I TS02163 [0,2,0,0,0,0|1,0,0]=3 2054 B9R1.69 Cc1ccc(cc1F)N TS02755 [0,2,0,0,0,0|1,0,0]=3 2055 B9R1.69 Cc1ccc(cc1F)O TS02758 [0,2,0,0,0,0|0,1,0]=3 2056 B9R1.69 Cc1ccc(cc1F)S TS06690 [0,2,0,0,0,0|0,0,0]=2 2057 B9R1.69 Cc1ccc(cc1F)[Zn+] TS59080 [0,2,0,0,0,0|1,0,0]=3 2058 B9R1.69 Cc1ccc(cc1I)Cl TS63183 [0,2,0,0,0,0|1,0,0]=3 2059 B9R1.69 Cc1ccc(cc1I)F TS60397 [0,2,0,0,0,0|1,0,0]=3 2060 B9R1.69 Cc1ccc(cc1I)N TS53418 [0,2,0,0,0,0|1,0,0]=3 2061 B9R1.69 Cc1ccc(cc1N)Br TS47394 [0,2,0,0,0,0|1,0,0]=3 2062 B9R1.69 Cc1ccc(cc1N)Cl TS46379 [0,2,0,0,0,0|1,0,0]=3 2063 B9R1.69 Cc1ccc(cc1N)Cl TS71504 [0,2,0,0,0,0|1,0,0]=3 2064 B9R1.69 Cc1ccc(cc1N)F TS71546 [0,2,0,0,0,0|1,0,0]=3 2065 B9R1.69 Cc1ccc(cc1N)I TS08884 [0,2,0,0,0,0|1,0,0]=3 2066 B9R1.69 Cc1ccc(cc1N)N TS32517 [0,2,0,0,0,0|1,0,0]=3 2067 B9R1.69 Cc1ccc(cc1N)O TS65470 [0,2,0,0,0,0|0,1,0]=3 2068 B9R1.69 Cc1ccc(cc1O)Br TS09797 [0,2,0,0,0,0|0,1,0]=3 2069 B9R1.69 Cc1ccc(cc1O)Cl TS37685 [0,2,0,0,0,0|0,1,0]=3 2070 B9R1.69 Cc1ccc(cc1O)F TS65133 [0,2,0,0,0,0|0,1,0]=3 2071 B9R1.69 Cc1ccc(cc1O)O TS65139 [0,2,0,0,0,0|0,1,0]=3 2072 B9R1.69 Cc1ccc(cc1S)Cl TS41999 [0,2,0,0,0,0|0,0,0]=2 2073 B9R1.69 Cc1ccc(cc1S)F TS06686 [0,2,0,0,0,0|0,0,0]=2 2074 B9R1.69 Cc1ccc(cn1=O)Br TS09800 [0,2,0,0,0,0|1,1,0]=4 2075 B9R1.69 Cc1ccc(nc1C)C TS04872 [0,2,0,0,0,0|2,0,0]=4 2076 B9R1.69 Cc1ccc(nc1C)C TS26913 [0,2,0,0,0,0|2,0,0]=4 2077 B9R1.69 Cc1ccc(nc1C)N TS04919 [0,2,0,0,0,0|2,0,0]=4 2078 B9R1.69 Cc1ccc(nc1Cl)Cl TS11473 [0,2,0,0,0,0|2,0,0]=4 2079 B9R1.69 Cc1ccc(nc1N)C TS02606 [0,2,0,0,0,0|2,0,0]=4 2080 B9R1.69 Cc1cnc(cc1Cl)Cl TS00611 [0,2,0,0,0,0|2,0,0]=4 2081 B9R1.69 Cc1cnc(cc1I)F TS08417 [0,2,0,0,0,0|2,0,0]=4 2082 B9R1.69 Cn1cc(ccc1=O)Br TS91224 [0,2,0,0,0,0|1,1,0]=4 2083 B9R1.69 Cn1cc(ccc1=O)F TS03324 [0,2,0,0,0,0|1,1,0]=4 2084 B9R1.69 Cn1cc(ccc1=O)N TS87923 [0,2,0,0,0,0|1,1,0]=4 2085 B9R1.69 Cn1ccc(cc1=O)Br TS89656 [0,2,0,0,0,0|1,1,0]=4 2086 B9R1.69 Cn1ccc(cc1=O)N TS85868 [0,2,0,0,0,0|1,1,0]=4 2087 B9R1.69 c1c(c(c[nH]c1=O)Cl)O TS07137 [0,2,0,0,0,0|1,1,0]=4 2088 B9R1.69 c1c(c(cnc1Cl)Br)Cl TS33097 [0,2,0,0,0,0|2,0,0]=4 2089 B9R1.69 c1c(c(cnc1Cl)Br)N TS89598 [0,2,0,0,0,0|2,0,0]=4 2090 B9R1.69 c1c(c(cnc1Cl)Cl)Br TS01844 [0,2,0,0,0,0|2,0,0]=4 2091 B9R1.69 c1c(c(cnc1Cl)Cl)N TS11650 [0,2,0,0,0,0|2,0,0]=4 2092 B9R1.69 c1c(c(cnc1Cl)Cl)O TS11787 [0,2,0,0,0,0|1,1,0]=4 2093 B9R1.69 c1c(c(cnc1Cl)F)Br TS43886 [0,2,0,0,0,0|2,0,0]=4 2094 B9R1.69 c1c(c(cnc1Cl)F)I TS55241 [0,2,0,0,0,0|2,0,0]=4 2095 B9R1.69 c1c(c(cnc1Cl)I)Cl TS33094 [0,2,0,0,0,0|2,0,0]=4 2096 B9R1.69 c1c(c(cnc1Cl)I)N TS89284 [0,2,0,0,0,0|2,0,0]=4 2097 B9R1.69 c1c(c(cnc1Cl)N)Cl TS70838 [0,2,0,0,0,0|2,0,0]=4 2098 B9R1.69 c1c(c(cnc1Cl)N)N TS86592 [0,2,0,0,0,0|2,0,0]=4 2099 B9R1.69 c1c(c(cnc1F)Br)Cl TS43887 [0,2,0,0,0,0|2,0,0]=4 2100 B9R1.69 c1c(c(cnc1F)Br)N TS88671 [0,2,0,0,0,0|2,0,0]=4 2101 B9R1.69 c1c(c(cnc1F)Cl)I TS09837 [0,2,0,0,0,0|2,0,0]=4 2102 B9R1.69 c1c(c(cnc1F)F)F TS00587 [0,2,0,0,0,0|2,0,0]=4 2103 B9R1.69 c1c(c(cnc1F)I)Cl TS33095 [0,2,0,0,0,0|2,0,0]=4 2104 B9R1.69 c1c(c(cnc1F)N)N TS36214 [0,2,0,0,0,0|2,0,0]=4 2105 B9R1.69 c1c(c(cnc1N)Br)Cl TS85360 [0,2,0,0,0,0|2,0,0]=4 2106 B9R1.69 c1c(c(cnc1N)Cl)Cl TS02901 [0,2,0,0,0,0|2,0,0]=4 2107 B9R1.69 c1c(c(cnc1N)N)N TS47177 [0,2,0,0,0,0|2,0,0]=4 2108 B9R1.69 c1c(c(cnc1O)F)Br TS17404 [0,2,0,0,0,0|1,1,0]=4 2109 B9R1.69 c1c(c(nc(n1)O)S)F TS40381 [0,2,0,0,0,0|2,0,0]=4 2110 B9R1.69 c1c(c(nc(n1)S)N)N TS37590 [0,2,0,0,0,0|2,0,0]=4 2111 B9R1.69 c1c(c(nc(n1)S)O)F TS09194 [0,2,0,0,0,0|2,0,0]=4 2112 B9R1.69 c1c(cnc(c1Br)Br)Br TS61254 [0,2,0,0,0,0|2,0,0]=4 2113 B9R1.69 c1c(cnc(c1Br)Br)Cl TS00552 [0,2,0,0,0,0|2,0,0]=4 2114 B9R1.69 c1c(cnc(c1Br)Br)F TS47133 [0,2,0,0,0,0|2,0,0]=4 2115 B9R1.69 c1c(cnc(c1Br)Br)N TS63064 [0,2,0,0,0,0|2,0,0]=4 2116 B9R1.69 c1c(cnc(c1Br)Cl)Br TS08390 [0,2,0,0,0,0|2,0,0]=4 2117 B9R1.69 c1c(cnc(c1Br)Cl)Cl TS52450 [0,2,0,0,0,0|2,0,0]=4 2118 B9R1.69 c1c(cnc(c1Br)Cl)F TS16855 [0,2,0,0,0,0|2,0,0]=4 2119 B9R1.69 c1c(cnc(c1Br)Cl)N TS03224 [0,2,0,0,0,0|2,0,0]=4 2120 B9R1.69 c1c(cnc(c1Br)Cl)O TS08391 [0,2,0,0,0,0|1,1,0]=4 2121 B9R1.69 c1c(cnc(c1Br)F)Br TS02567 [0,2,0,0,0,0|2,0,0]=4 2122 B9R1.69 c1c(cnc(c1Br)F)Cl TS43885 [0,2,0,0,0,0|2,0,0]=4 2123 B9R1.69 c1c(cnc(c1Br)F)N TS03225 [0,2,0,0,0,0|2,0,0]=4 2124 B9R1.69 c1c(cnc(c1Br)F)O TS17403 [0,2,0,0,0,0|1,1,0]=4 2125 B9R1.69 c1c(cnc(c1Br)N)Br TS94749 [0,2,0,0,0,0|2,0,0]=4 2126 B9R1.69 c1c(cnc(c1Br)N)Cl TS08278 [0,2,0,0,0,0|2,0,0]=4 2127 B9R1.69 c1c(cnc(c1Br)N)F TS08279 [0,2,0,0,0,0|2,0,0]=4 2128 B9R1.69 c1c(cnc(c1Br)N)N TS50646 [0,2,0,0,0,0|2,0,0]=4 2129 B9R1.69 c1c(cnc(c1Br)N)O TS08881 [0,2,0,0,0,0|1,1,0]=4 2130 B9R1.69 c1c(cnc(c1Br)O)Br TS02570 [0,2,0,0,0,0|1,1,0]=4 2131 B9R1.69 c1c(cnc(c1Br)O)Cl TS39301 [0,2,0,0,0,0|1,1,0]=4 2132 B9R1.69 c1c(cnc(c1Br)O)F TS39708 [0,2,0,0,0,0|1,1,0]=4 2133 B9R1.69 c1c(cnc(c1Cl)Br)Br TS33275 [0,2,0,0,0,0|2,0,0]=4 2134 B9R1.69 c1c(cnc(c1Cl)Br)Cl TS55085 [0,2,0,0,0,0|2,0,0]=4 2135 B9R1.69 c1c(cnc(c1Cl)Br)N TS43338 [0,2,0,0,0,0|2,0,0]=4 2136 B9R1.69 c1c(cnc(c1Cl)Br)O TS20651 [0,2,0,0,0,0|1,1,0]=4 2137 B9R1.69 c1c(cnc(c1Cl)Cl)Br TS52451 [0,2,0,0,0,0|2,0,0]=4 2138 B9R1.69 c1c(cnc(c1Cl)Cl)Cl TS00541 [0,2,0,0,0,0|2,0,0]=4 2139 B9R1.69 c1c(cnc(c1Cl)Cl)Cl TS93900 [0,2,0,0,0,0|2,0,0]=4 2140 B9R1.69 c1c(cnc(c1Cl)Cl)I TS33548 [0,2,0,0,0,0|2,0,0]=4 2141 B9R1.69 c1c(cnc(c1Cl)Cl)N TS02644 [0,2,0,0,0,0|2,0,0]=4 2142 B9R1.69 c1c(cnc(c1Cl)F)Br TS02158 [0,2,0,0,0,0|2,0,0]=4 2143 B9R1.69 c1c(cnc(c1Cl)F)Cl TS12129 [0,2,0,0,0,0|2,0,0]=4 2144 B9R1.69 c1c(cnc(c1Cl)F)O TS65966 [0,2,0,0,0,0|1,1,0]=4 2145 B9R1.69 c1c(cnc(c1Cl)N)Br TS43336 [0,2,0,0,0,0|2,0,0]=4 2146 B9R1.69 c1c(cnc(c1Cl)N)Cl TS07934 [0,2,0,0,0,0|2,0,0]=4 2147 B9R1.69 c1c(cnc(c1F)Br)Br TS47242 [0,2,0,0,0,0|2,0,0]=4 2148 B9R1.69 c1c(cnc(c1F)Br)Cl TS85457 [0,2,0,0,0,0|2,0,0]=4 2149 B9R1.69 c1c(cnc(c1F)Br)F TS09118 [0,2,0,0,0,0|2,0,0]=4 2150 B9R1.69 c1c(cnc(c1F)Cl)Br TS16976 [0,2,0,0,0,0|2,0,0]=4 2151 B9R1.69 c1c(cnc(c1F)Cl)Cl TS85454 [0,2,0,0,0,0|2,0,0]=4 2152 B9R1.69 c1c(cnc(c1F)Cl)O TS08395 [0,2,0,0,0,0|1,1,0]=4 2153 B9R1.69 c1c(cnc(c1F)F)Br TS16968 [0,2,0,0,0,0|2,0,0]=4 2154 B9R1.69 c1c(cnc(c1F)F)F TS00543 [0,2,0,0,0,0|2,0,0]=4 2155 B9R1.69 c1c(cnc(c1F)N)Cl TS00771 [0,2,0,0,0,0|2,0,0]=4 2156 B9R1.69 c1c(cnc(c1F)N)F TS08273 [0,2,0,0,0,0|2,0,0]=4 2157 B9R1.69 c1c(cnc(c1F)O)Cl TS85208 [0,2,0,0,0,0|1,1,0]=4 2158 B9R1.69 c1c(cnc(c1I)Cl)Br TS61411 [0,2,0,0,0,0|2,0,0]=4 2159 B9R1.69 c1c(cnc(c1I)Cl)F TS29100 [0,2,0,0,0,0|2,0,0]=4 2160 B9R1.69 c1c(cnc(c1I)N)Br TS47368 [0,2,0,0,0,0|2,0,0]=4 2161 B9R1.69 c1c(cnc(c1I)N)Cl TS28683 [0,2,0,0,0,0|2,0,0]=4 2162 B9R1.69 c1c(cnc(c1I)N)F TS00783 [0,2,0,0,0,0|2,0,0]=4 2163 B9R1.69 c1c(cnc(c1I)O)Br TS74565 [0,2,0,0,0,0|1,1,0]=4 2164 B9R1.69 c1c(cnc(c1N)Br)Br TS63063 [0,2,0,0,0,0|2,0,0]=4 2165 B9R1.69 c1c(cnc(c1N)Br)Cl TS02620 [0,2,0,0,0,0|2,0,0]=4 2166 B9R1.69 c1c(cnc(c1N)Br)F TS02621 [0,2,0,0,0,0|2,0,0]=4 2167 B9R1.69 c1c(cnc(c1N)Cl)Br TS02645 [0,2,0,0,0,0|2,0,0]=4 2168 B9R1.69 c1c(cnc(c1N)Cl)Cl TS65840 [0,2,0,0,0,0|2,0,0]=4 2169 B9R1.69 c1c(cnc(c1N)Cl)F TS02624 [0,2,0,0,0,0|2,0,0]=4 2170 B9R1.69 c1c(cnc(c1N)Cl)I TS28681 [0,2,0,0,0,0|2,0,0]=4 2171 B9R1.69 c1c(cnc(c1N)Cl)N TS40120 [0,2,0,0,0,0|2,0,0]=4 2172 B9R1.69 c1c(cnc(c1N)F)Br TS02646 [0,2,0,0,0,0|2,0,0]=4 2173 B9R1.69 c1c(cnc(c1N)F)Cl TS02648 [0,2,0,0,0,0|2,0,0]=4 2174 B9R1.69 c1c(cnc(c1N)N)Br TS71411 [0,2,0,0,0,0|2,0,0]=4 2175 B9R1.69 c1c(cnc(c1N)N)Br TS85537 [0,2,0,0,0,0|2,0,0]=4 2176 B9R1.69 c1c(cnc(c1N)N)Cl TS00546 [0,2,0,0,0,0|2,0,0]=4 2177 B9R1.69 c1c(cnc(c1N)N)F TS03326 [0,2,0,0,0,0|2,0,0]=4 2178 B9R1.69 c1c(cnc(c1N)O)Br TS55381 [0,2,0,0,0,0|1,1,0]=4 2179 B9R1.69 c1c(cnc(c1N)O)Br TS85461 [0,2,0,0,0,0|1,1,0]=4 2180 B9R1.69 c1c(cnc(c1N)O)Cl TS55382 [0,2,0,0,0,0|1,1,0]=4 2181 B9R1.69 c1c(cnc(c1O)Br)Cl TS20650 [0,2,0,0,0,0|1,1,0]=4 2182 B9R1.69 c1c(cnc(c1O)Cl)Br TS71412 [0,2,0,0,0,0|1,1,0]=4 2183 B9R1.69 c1c(cnc(c1O)Cl)F TS07716 [0,2,0,0,0,0|1,1,0]=4 2184 B9R1.69 c1c(cnc(c1O)F)Br TS55325 [0,2,0,0,0,0|1,1,0]=4 2185 B9R1.69 c1c(cnc(c1O)N)Cl TS40265 [0,2,0,0,0,0|1,1,0]=4 2186 B9R1.69 c1c(cnc(c1O)O)Cl TS09823 [0,2,0,0,0,0|1,1,0]=4 2187 B9R1.69 c1cc(c(cc1Br)Br)F TS65339 [0,2,0,0,0,0|1,0,0]=3 2188 B9R1.69 c1cc(c(cc1Br)Br)N TS28127 [0,2,0,0,0,0|1,0,0]=3 2189 B9R1.69 c1cc(c(cc1Br)Br)O TS63061 [0,2,0,0,0,0|0,1,0]=3 2190 B9R1.69 c1cc(c(cc1Br)Cl)Br TS30840 [0,2,0,0,0,0|1,0,0]=3 2191 B9R1.69 c1cc(c(cc1Br)Cl)Cl TS60379 [0,2,0,0,0,0|1,0,0]=3 2192 B9R1.69 c1cc(c(cc1Br)Cl)F TS16928 [0,2,0,0,0,0|1,0,0]=3 2193 B9R1.69 c1cc(c(cc1Br)Cl)I TS00005 [0,2,0,0,0,0|1,0,0]=3 2194 B9R1.69 c1cc(c(cc1Br)Cl)N TS16930 [0,2,0,0,0,0|1,0,0]=3 2195 B9R1.69 c1cc(c(cc1Br)Cl)O TS16932 [0,2,0,0,0,0|0,1,0]=3 2196 B9R1.69 c1cc(c(cc1Br)F)Cl TS08877 [0,2,0,0,0,0|1,0,0]=3 2197 B9R1.69 c1cc(c(cc1Br)F)F TS17594 [0,2,0,0,0,0|1,0,0]=3 2198 B9R1.69 c1cc(c(cc1Br)F)I TS16936 [0,2,0,0,0,0|1,0,0]=3 2199 B9R1.69 c1cc(c(cc1Br)F)N TS16937 [0,2,0,0,0,0|1,0,0]=3 2200 B9R1.69 c1cc(c(cc1Br)F)N TS30908 [0,2,0,0,0,0|1,0,0]=3 2201 B9R1.69 c1cc(c(cc1Br)F)O TS16943 [0,2,0,0,0,0|0,1,0]=3 2202 B9R1.69 c1cc(c(cc1Br)I)Br TS65341 [0,2,0,0,0,0|1,0,0]=3 2203 B9R1.69 c1cc(c(cc1Br)I)F TS39503 [0,2,0,0,0,0|1,0,0]=3 2204 B9R1.69 c1cc(c(cc1Br)I)I TS81371 [0,2,0,0,0,0|1,0,0]=3 2205 B9R1.69 c1cc(c(cc1Br)I)N TS93998 [0,2,0,0,0,0|1,0,0]=3 2206 B9R1.69 c1cc(c(cc1Br)N)Br TS47330 [0,2,0,0,0,0|1,0,0]=3 2207 B9R1.69 c1cc(c(cc1Br)N)Cl TS00908 [0,2,0,0,0,0|1,0,0]=3 2208 B9R1.69 c1cc(c(cc1Br)N)F TS51004 [0,2,0,0,0,0|1,0,0]=3 2209 B9R1.69 c1cc(c(cc1Br)N)N TS09591 [0,2,0,0,0,0|1,0,0]=3 2210 B9R1.69 c1cc(c(cc1Br)N)O TS47391 [0,2,0,0,0,0|0,1,0]=3 2211 B9R1.69 c1cc(c(cc1Br)O)Br TS47249 [0,2,0,0,0,0|0,1,0]=3 2212 B9R1.69 c1cc(c(cc1Br)O)Cl TS02066 [0,2,0,0,0,0|0,1,0]=3 2213 B9R1.69 c1cc(c(cc1Br)O)F TS71425 [0,2,0,0,0,0|0,1,0]=3 2214 B9R1.69 c1cc(c(cc1Br)O)N TS47429 [0,2,0,0,0,0|0,1,0]=3 2215 B9R1.69 c1cc(c(cc1Br)O)O TS09600 [0,2,0,0,0,0|0,1,0]=3 2216 B9R1.69 c1cc(c(cc1Br)S)N TS38531 [0,2,0,0,0,0|0,0,0]=2 2217 B9R1.69 c1cc(c(cc1Cl)Br)Cl TS52251 [0,2,0,0,0,0|1,0,0]=3 2218 B9R1.69 c1cc(c(cc1Cl)Br)F TS09446 [0,2,0,0,0,0|1,0,0]=3 2219 B9R1.69 c1cc(c(cc1Cl)Br)I TS32903 [0,2,0,0,0,0|1,0,0]=3 2220 B9R1.69 c1cc(c(cc1Cl)Br)N TS39093 [0,2,0,0,0,0|1,0,0]=3 2221 B9R1.69 c1cc(c(cc1Cl)Br)O TS43333 [0,2,0,0,0,0|0,1,0]=3 2222 B9R1.69 c1cc(c(cc1Cl)Cl)Br TS32864 [0,2,0,0,0,0|1,0,0]=3 2223 B9R1.69 c1cc(c(cc1Cl)Cl)Cl TS48137 [0,2,0,0,0,0|1,0,0]=3 2224 B9R1.69 c1cc(c(cc1Cl)Cl)F TS42843 [0,2,0,0,0,0|1,0,0]=3 2225 B9R1.69 c1cc(c(cc1Cl)Cl)I TS00600 [0,2,0,0,0,0|1,0,0]=3 2226 B9R1.69 c1cc(c(cc1Cl)Cl)N TS11477 [0,2,0,0,0,0|1,0,0]=3 2227 B9R1.69 c1cc(c(cc1Cl)Cl)O TS11646 [0,2,0,0,0,0|0,1,0]=3 2228 B9R1.69 c1cc(c(cc1Cl)Cl)S TS14336 [0,2,0,0,0,0|0,0,0]=2 2229 B9R1.69 c1cc(c(cc1Cl)F)Br TS00411 [0,2,0,0,0,0|1,0,0]=3 2230 B9R1.69 c1cc(c(cc1Cl)F)Cl TS02132 [0,2,0,0,0,0|1,0,0]=3 2231 B9R1.69 c1cc(c(cc1Cl)F)F TS40699 [0,2,0,0,0,0|1,0,0]=3 2232 B9R1.69 c1cc(c(cc1Cl)F)I TS67911 [0,2,0,0,0,0|1,0,0]=3 2233 B9R1.69 c1cc(c(cc1Cl)F)N TS03038 [0,2,0,0,0,0|1,0,0]=3 2234 B9R1.69 c1cc(c(cc1Cl)F)O TS03043 [0,2,0,0,0,0|0,1,0]=3 2235 B9R1.69 c1cc(c(cc1Cl)I)Cl TS33453 [0,2,0,0,0,0|1,0,0]=3 2236 B9R1.69 c1cc(c(cc1Cl)I)F TS67910 [0,2,0,0,0,0|1,0,0]=3 2237 B9R1.69 c1cc(c(cc1Cl)I)N TS03048 [0,2,0,0,0,0|1,0,0]=3 2238 B9R1.69 c1cc(c(cc1Cl)I)O TS03049 [0,2,0,0,0,0|0,1,0]=3 2239 B9R1.69 c1cc(c(cc1Cl)N)Br TS55117 [0,2,0,0,0,0|1,0,0]=3 2240 B9R1.69 c1cc(c(cc1Cl)N)Cl TS11478 [0,2,0,0,0,0|1,0,0]=3 2241 B9R1.69 c1cc(c(cc1Cl)N)F TS09838 [0,2,0,0,0,0|1,0,0]=3 2242 B9R1.69 c1cc(c(cc1Cl)N)I TS07823 [0,2,0,0,0,0|1,0,0]=3 2243 B9R1.69 c1cc(c(cc1Cl)N)N TS09680 [0,2,0,0,0,0|1,0,0]=3 2244 B9R1.69 c1cc(c(cc1Cl)N)O TS07921 [0,2,0,0,0,0|0,1,0]=3 2245 B9R1.69 c1cc(c(cc1Cl)N)S TS11197 [0,2,0,0,0,0|0,0,0]=2 2246 B9R1.69 c1cc(c(cc1Cl)N)S TS53595 [0,2,0,0,0,0|0,0,0]=2 2247 B9R1.69 c1cc(c(cc1Cl)O)Br TS55121 [0,2,0,0,0,0|0,1,0]=3 2248 B9R1.69 c1cc(c(cc1Cl)O)Cl TS11648 [0,2,0,0,0,0|0,1,0]=3 2249 B9R1.69 c1cc(c(cc1Cl)O)I TS32985 [0,2,0,0,0,0|0,1,0]=3 2250 B9R1.69 c1cc(c(cc1Cl)O)N TS08950 [0,2,0,0,0,0|0,1,0]=3 2251 B9R1.69 c1cc(c(cc1Cl)O)O TS40260 [0,2,0,0,0,0|0,1,0]=3 2252 B9R1.69 c1cc(c(cc1Cl)S)Cl TS47675 [0,2,0,0,0,0|0,0,0]=2 2253 B9R1.69 c1cc(c(cc1Cl)S)N TS11199 [0,2,0,0,0,0|0,0,0]=2 2254 B9R1.69 c1cc(c(cc1F)Br)Br TS65271 [0,2,0,0,0,0|1,0,0]=3 2255 B9R1.69 c1cc(c(cc1F)Br)Cl TS09284 [0,2,0,0,0,0|1,0,0]=3 2256 B9R1.69 c1cc(c(cc1F)Br)F TS55068 [0,2,0,0,0,0|1,0,0]=3 2257 B9R1.69 c1cc(c(cc1F)Br)I TS08319 [0,2,0,0,0,0|1,0,0]=3 2258 B9R1.69 c1cc(c(cc1F)Br)N TS08968 [0,2,0,0,0,0|1,0,0]=3 2259 B9R1.69 c1cc(c(cc1F)Br)O TS17209 [0,2,0,0,0,0|0,1,0]=3 2260 B9R1.69 c1cc(c(cc1F)Cl)Br TS20790 [0,2,0,0,0,0|1,0,0]=3 2261 B9R1.69 c1cc(c(cc1F)Cl)Cl TS60315 [0,2,0,0,0,0|1,0,0]=3 2262 B9R1.69 c1cc(c(cc1F)Cl)F TS40700 [0,2,0,0,0,0|1,0,0]=3 2263 B9R1.69 c1cc(c(cc1F)Cl)I TS67913 [0,2,0,0,0,0|1,0,0]=3 2264 B9R1.69 c1cc(c(cc1F)Cl)N TS00883 [0,2,0,0,0,0|1,0,0]=3 2265 B9R1.69 c1cc(c(cc1F)Cl)O TS55213 [0,2,0,0,0,0|0,1,0]=3 2266 B9R1.69 c1cc(c(cc1F)Cl)S TS11629 [0,2,0,0,0,0|0,0,0]=2 2267 B9R1.69 c1cc(c(cc1F)F)Br TS02129 [0,2,0,0,0,0|1,0,0]=3 2268 B9R1.69 c1cc(c(cc1F)F)Cl TS40698 [0,2,0,0,0,0|1,0,0]=3 2269 B9R1.69 c1cc(c(cc1F)F)F TS46768 [0,2,0,0,0,0|1,0,0]=3 2270 B9R1.69 c1cc(c(cc1F)F)I TS26444 [0,2,0,0,0,0|1,0,0]=3 2271 B9R1.69 c1cc(c(cc1F)F)N TS00627 [0,2,0,0,0,0|1,0,0]=3 2272 B9R1.69 c1cc(c(cc1F)F)O TS00636 [0,2,0,0,0,0|0,1,0]=3 2273 B9R1.69 c1cc(c(cc1F)F)S TS07912 [0,2,0,0,0,0|0,0,0]=2 2274 B9R1.69 c1cc(c(cc1F)I)Br TS65383 [0,2,0,0,0,0|1,0,0]=3 2275 B9R1.69 c1cc(c(cc1F)I)Cl TS67912 [0,2,0,0,0,0|1,0,0]=3 2276 B9R1.69 c1cc(c(cc1F)I)F TS26443 [0,2,0,0,0,0|1,0,0]=3 2277 B9R1.69 c1cc(c(cc1F)I)I TS64595 [0,2,0,0,0,0|1,0,0]=3 2278 B9R1.69 c1cc(c(cc1F)I)N TS09698 [0,2,0,0,0,0|1,0,0]=3 2279 B9R1.69 c1cc(c(cc1F)N)Br TS16271 [0,2,0,0,0,0|1,0,0]=3 2280 B9R1.69 c1cc(c(cc1F)N)Cl TS55243 [0,2,0,0,0,0|1,0,0]=3 2281 B9R1.69 c1cc(c(cc1F)N)F TS00672 [0,2,0,0,0,0|1,0,0]=3 2282 B9R1.69 c1cc(c(cc1F)N)I TS07832 [0,2,0,0,0,0|1,0,0]=3 2283 B9R1.69 c1cc(c(cc1F)N)N TS16670 [0,2,0,0,0,0|1,0,0]=3 2284 B9R1.69 c1cc(c(cc1F)N)O TS00753 [0,2,0,0,0,0|0,1,0]=3 2285 B9R1.69 c1cc(c(cc1F)O)Br TS65384 [0,2,0,0,0,0|0,1,0]=3 2286 B9R1.69 c1cc(c(cc1F)O)Cl TS60278 [0,2,0,0,0,0|0,1,0]=3 2287 B9R1.69 c1cc(c(cc1F)O)F TS36449 [0,2,0,0,0,0|0,1,0]=3 2288 B9R1.69 c1cc(c(cc1F)O)N TS36211 [0,2,0,0,0,0|0,1,0]=3 2289 B9R1.69 c1cc(c(cc1F)O)O TS39506 [0,2,0,0,0,0|0,1,0]=3 2290 B9R1.69 c1cc(c(cc1F)S)F TS07211 [0,2,0,0,0,0|0,0,0]=2 2291 B9R1.69 c1cc(c(cc1I)Br)F TS59948 [0,2,0,0,0,0|1,0,0]=3 2292 B9R1.69 c1cc(c(cc1I)Cl)Br TS00016 [0,2,0,0,0,0|1,0,0]=3 2293 B9R1.69 c1cc(c(cc1I)Cl)Cl TS65447 [0,2,0,0,0,0|1,0,0]=3 2294 B9R1.69 c1cc(c(cc1I)Cl)F TS67914 [0,2,0,0,0,0|1,0,0]=3 2295 B9R1.69 c1cc(c(cc1I)Cl)I TS79712 [0,2,0,0,0,0|1,0,0]=3 2296 B9R1.69 c1cc(c(cc1I)Cl)N TS09275 [0,2,0,0,0,0|1,0,0]=3 2297 B9R1.69 c1cc(c(cc1I)F)Br TS46915 [0,2,0,0,0,0|1,0,0]=3 2298 B9R1.69 c1cc(c(cc1I)F)Cl TS67909 [0,2,0,0,0,0|1,0,0]=3 2299 B9R1.69 c1cc(c(cc1I)F)F TS59549 [0,2,0,0,0,0|1,0,0]=3 2300 B9R1.69 c1cc(c(cc1I)F)I TS65285 [0,2,0,0,0,0|1,0,0]=3 2301 B9R1.69 c1cc(c(cc1I)F)N TS09293 [0,2,0,0,0,0|1,0,0]=3 2302 B9R1.69 c1cc(c(cc1I)I)I TS82497 [0,2,0,0,0,0|1,0,0]=3 2303 B9R1.69 c1cc(c(cc1I)I)N TS64466 [0,2,0,0,0,0|1,0,0]=3 2304 B9R1.69 c1cc(c(cc1I)N)F TS25996 [0,2,0,0,0,0|1,0,0]=3 2305 B9R1.69 c1cc(c(cc1I)N)N TS71178 [0,2,0,0,0,0|1,0,0]=3 2306 B9R1.69 c1cc(c(cc1I)O)Cl TS08661 [0,2,0,0,0,0|0,1,0]=3 2307 B9R1.69 c1cc(c(cc1N)Br)F TS65920 [0,2,0,0,0,0|1,0,0]=3 2308 B9R1.69 c1cc(c(cc1N)Br)N TS55152 [0,2,0,0,0,0|1,0,0]=3 2309 B9R1.69 c1cc(c(cc1N)Br)O TS02230 [0,2,0,0,0,0|0,1,0]=3 2310 B9R1.69 c1cc(c(cc1N)Cl)Br TS09570 [0,2,0,0,0,0|1,0,0]=3 2311 B9R1.69 c1cc(c(cc1N)Cl)Cl TS59994 [0,2,0,0,0,0|1,0,0]=3 2312 B9R1.69 c1cc(c(cc1N)Cl)F TS00141 [0,2,0,0,0,0|1,0,0]=3 2313 B9R1.69 c1cc(c(cc1N)Cl)I TS60348 [0,2,0,0,0,0|1,0,0]=3 2314 B9R1.69 c1cc(c(cc1N)Cl)N TS06797 [0,2,0,0,0,0|1,0,0]=3 2315 B9R1.69 c1cc(c(cc1N)Cl)N TS44726 [0,2,0,0,0,0|1,0,0]=3 2316 B9R1.69 c1cc(c(cc1N)Cl)N TS47670 [0,2,0,0,0,0|1,0,0]=3 2317 B9R1.69 c1cc(c(cc1N)Cl)O TS02692 [0,2,0,0,0,0|0,1,0]=3 2318 B9R1.69 c1cc(c(cc1N)F)Br TS09574 [0,2,0,0,0,0|1,0,0]=3 2319 B9R1.69 c1cc(c(cc1N)F)Cl TS02746 [0,2,0,0,0,0|1,0,0]=3 2320 B9R1.69 c1cc(c(cc1N)F)F TS65749 [0,2,0,0,0,0|1,0,0]=3 2321 B9R1.69 c1cc(c(cc1N)F)I TS02749 [0,2,0,0,0,0|1,0,0]=3 2322 B9R1.69 c1cc(c(cc1N)F)O TS02963 [0,2,0,0,0,0|0,1,0]=3 2323 B9R1.69 c1cc(c(cc1N)I)N TS01065 [0,2,0,0,0,0|1,0,0]=3 2324 B9R1.69 c1cc(c(cc1N)I)O TS25670 [0,2,0,0,0,0|0,1,0]=3 2325 B9R1.69 c1cc(c(cc1N)N)Cl TS37694 [0,2,0,0,0,0|1,0,0]=3 2326 B9R1.69 c1cc(c(cc1N)N)F TS65337 [0,2,0,0,0,0|1,0,0]=3 2327 B9R1.69 c1cc(c(cc1N)N)I TS53551 [0,2,0,0,0,0|1,0,0]=3 2328 B9R1.69 c1cc(c(cc1N)N)N TS00347 [0,2,0,0,0,0|1,0,0]=3 2329 B9R1.69 c1cc(c(cc1N)N)O TS53804 [0,2,0,0,0,0|0,1,0]=3 2330 B9R1.69 c1cc(c(cc1N)O)Cl TS40118 [0,2,0,0,0,0|0,1,0]=3 2331 B9R1.69 c1cc(c(cc1N)O)O TS20087 [0,2,0,0,0,0|0,1,0]=3 2332 B9R1.69 c1cc(c(cc1O)Br)Cl TS43334 [0,2,0,0,0,0|0,1,0]=3 2333 B9R1.69 c1cc(c(cc1O)Br)F TS09448 [0,2,0,0,0,0|0,1,0]=3 2334 B9R1.69 c1cc(c(cc1O)Br)O TS32902 [0,2,0,0,0,0|0,1,0]=3 2335 B9R1.69 c1cc(c(cc1O)Cl)Br TS59607 [0,2,0,0,0,0|0,1,0]=3 2336 B9R1.69 c1cc(c(cc1O)Cl)Cl TS11647 [0,2,0,0,0,0|0,1,0]=3 2337 B9R1.69 c1cc(c(cc1O)Cl)F TS60346 [0,2,0,0,0,0|0,1,0]=3 2338 B9R1.69 c1cc(c(cc1O)Cl)O TS40259 [0,2,0,0,0,0|0,1,0]=3 2339 B9R1.69 c1cc(c(cc1O)F)Br TS09579 [0,2,0,0,0,0|0,1,0]=3 2340 B9R1.69 c1cc(c(cc1O)F)Cl TS09636 [0,2,0,0,0,0|0,1,0]=3 2341 B9R1.69 c1cc(c(cc1O)F)F TS60320 [0,2,0,0,0,0|0,1,0]=3 2342 B9R1.69 c1cc(c(cc1O)F)N TS42650 [0,2,0,0,0,0|0,1,0]=3 2343 B9R1.69 c1cc(c(cc1O)F)N TS70881 [0,2,0,0,0,0|0,1,0]=3 2344 B9R1.69 c1cc(c(cc1O)F)O TS85396 [0,2,0,0,0,0|0,1,0]=3 2345 B9R1.69 c1cc(c(cc1O)N)Br TS15905 [0,2,0,0,0,0|0,1,0]=3 2346 B9R1.69 c1cc(c(cc1O)N)Cl TS08862 [0,2,0,0,0,0|0,1,0]=3 2347 B9R1.69 c1cc(c(cc1O)N)F TS65858 [0,2,0,0,0,0|0,1,0]=3 2348 B9R1.69 c1cc(c(cc1O)O)Br TS16112 [0,2,0,0,0,0|0,1,0]=3 2349 B9R1.69 c1cc(c(cc1O)O)F TS71140 [0,2,0,0,0,0|0,1,0]=3 2350 B9R1.69 c1cc(c(cc1O)O)N TS42356 [0,2,0,0,0,0|0,1,0]=3 2351 B9R1.69 c1cc(c(cc1O)O)O TS05134 [0,2,0,0,0,0|0,1,0]=3 2352 B9R1.69 c1cc(c(cc1S)Cl)Cl TS14335 [0,2,0,0,0,0|0,0,0]=2 2353 B9R1.69 c1cc(c(cc1S)Cl)F TS07744 [0,2,0,0,0,0|0,0,0]=2 2354 B9R1.69 c1cc(c(cc1S)F)F TS40406 [0,2,0,0,0,0|0,0,0]=2 2355 B9R1.69 c1cc(c(cc1S)F)N TS40078 [0,2,0,0,0,0|0,0,0]=2 2356 B9R1.69 c1cc(c(cc1S)S)Cl TS46207 [0,2,0,0,0,0|0,0,0]=2 2357 B9R1.69 c1cc(c(cc1[Zn+])Cl)Cl TS64119 [0,2,0,0,0,0|1,0,0]=3 2358 B9R1.69 c1cc(c(cc1[Zn+])Cl)F TS61674 [0,2,0,0,0,0|1,0,0]=3 2359 B9R1.69 c1cc(c(cc1[Zn+])F)Cl TS61673 [0,2,0,0,0,0|1,0,0]=3 2360 B9R1.69 c1cc(nc(c1Br)Cl)Cl TS47283 [0,2,0,0,0,0|2,0,0]=4 2361 B9R1.69 c1cc(nc(c1Br)N)N TS86593 [0,2,0,0,0,0|2,0,0]=4 2362 B9R1.69 c1cc(nc(c1Cl)Cl)Cl TS15054 [0,2,0,0,0,0|2,0,0]=4 2363 B9R1.69 c1cc(nc(c1Cl)Cl)Cl TS85447 [0,2,0,0,0,0|2,0,0]=4 2364 B9R1.69 c1cc(nc(c1F)Cl)Cl TS47284 [0,2,0,0,0,0|2,0,0]=4 2365 B9R1.69 c1cc(nc(c1F)F)F TS05805 [0,2,0,0,0,0|2,0,0]=4 2366 B9R1.69 c1cc(nc(c1I)Cl)Cl TS47287 [0,2,0,0,0,0|2,0,0]=4 2367 B9R1.69 c1cc(nc(c1N)Br)Br TS65841 [0,2,0,0,0,0|2,0,0]=4 2368 B9R1.69 c1cc(nc(c1N)Br)Cl TS91673 [0,2,0,0,0,0|2,0,0]=4 2369 B9R1.69 c1cc(nc(c1N)Cl)Cl TS65842 [0,2,0,0,0,0|2,0,0]=4 2370 B9R1.69 c1cc(nc(c1N)N)Cl TS40121 [0,2,0,0,0,0|2,0,0]=4 2371 B9R1.69 c1cc(nc(c1N)N)N TS05025 [0,2,0,0,0,0|2,0,0]=4 2372 B9R1.69 c1cc(nc(c1N)O)Br TS65864 [0,2,0,0,0,0|1,1,0]=4 2373 B9R1.69 c1cc(nc(c1O)Br)Br TS00688 [0,2,0,0,0,0|1,1,0]=4 2374 B9R1.69 c1cc(nc(c1O)I)Cl TS28821 [0,2,0,0,0,0|1,1,0]=4 2375 B9R1.3 Cc1c(c(=O)cc[nH]1)O TS05073 [0,2,0,0,0,0|1,1,0]=4 2376 B9R1.3 Cc1c(c(=O)cco1)O TS05135 [0,2,0,0,0,0|1,1,0]=4 2377 B9R1.3 Cc1c(c(ccn1)Cl)Cl TS02536 [0,2,0,0,0,0|2,0,0]=4 2378 B9R1.3 Cc1c(c(ccn1)N)Cl TS06807 [0,2,0,0,0,0|2,0,0]=4 2379 B9R1.3 Cc1c(c(ccn1)N)N TS02446 [0,2,0,0,0,0|2,0,0]=4 2380 B9R1.3 Cc1c(cccc1Br)Br TS00700 [0,2,0,0,0,0|1,0,0]=3 2381 B9R1.3 Cc1c(cccc1Br)Cl TS20047 [0,2,0,0,0,0|1,0,0]=3 2382 B9R1.3 Cc1c(cccc1Br)F TS08362 [0,2,0,0,0,0|1,0,0]=3 2383 B9R1.3 Cc1c(cccc1Br)N TS00799 [0,2,0,0,0,0|1,0,0]=3 2384 B9R1.3 Cc1c(cccc1Cl)Cl TS11353 [0,2,0,0,0,0|1,0,0]=3 2385 B9R1.3 Cc1c(cccc1Cl)F TS02142 [0,2,0,0,0,0|1,0,0]=3 2386 B9R1.3 Cc1c(cccc1Cl)N TS00137 [0,2,0,0,0,0|1,0,0]=3 2387 B9R1.3 Cc1c(cccc1Cl)N TS46375 [0,2,0,0,0,0|1,0,0]=3 2388 B9R1.3 Cc1c(cccc1F)F TS47312 [0,2,0,0,0,0|1,0,0]=3 2389 B9R1.3 Cc1c(cccc1F)N TS70570 [0,2,0,0,0,0|1,0,0]=3 2390 B9R1.3 Cc1c(cccc1F)O TS70572 [0,2,0,0,0,0|0,1,0]=3 2391 B9R1.3 Cc1c(cccc1I)Cl TS65405 [0,2,0,0,0,0|1,0,0]=3 2392 B9R1.3 Cc1c(cccc1I)F TS60285 [0,2,0,0,0,0|1,0,0]=3 2393 B9R1.3 Cc1c(cccc1N)N TS32518 [0,2,0,0,0,0|1,0,0]=3 2394 B9R1.3 Cc1c(cccc1O)N TS02637 [0,2,0,0,0,0|0,1,0]=3 2395 B9R1.3 Cc1c(cccc1O)O TS32599 [0,2,0,0,0,0|0,1,0]=3 2396 B9R1.3 Cc1c(ccnc1Cl)Br TS16933 [0,2,0,0,0,0|2,0,0]=4 2397 B9R1.3 Cc1c(ccnc1Cl)Cl TS00615 [0,2,0,0,0,0|2,0,0]=4 2398 B9R1.3 Cc1c(ccnc1Cl)I TS07713 [0,2,0,0,0,0|2,0,0]=4 2399 B9R1.3 Cc1c(ccnc1F)Br TS16272 [0,2,0,0,0,0|2,0,0]=4 2400 B9R1.3 Cc1c(cncc1Br)Br TS02573 [0,2,0,0,0,0|2,0,0]=4 2401 B9R1.3 Cc1c(cncc1Cl)Cl TS59596 [0,2,0,0,0,0|2,0,0]=4 2402 B9R1.3 Cc1c(nccc1N)C TS32511 [0,2,0,0,0,0|2,0,0]=4 2403 B9R1.3 Cc1cccc([n+]1[O-])N TS05012 [0,2,0,0,0,0|1,1,0]=4 2404 B9R1.3 Cc1cccc(c1Br)C TS47327 [0,2,0,0,0,0|1,0,0]=3 2405 B9R1.3 Cc1cccc(c1Br)Cl TS01772 [0,2,0,0,0,0|1,0,0]=3 2406 B9R1.3 Cc1cccc(c1Br)F TS09120 [0,2,0,0,0,0|1,0,0]=3 2407 B9R1.3 Cc1cccc(c1C)Br TS65899 [0,2,0,0,0,0|1,0,0]=3 2408 B9R1.3 Cc1cccc(c1C)C TS07872 [0,2,0,0,0,0|1,0,0]=3 2409 B9R1.3 Cc1cccc(c1C)Cl TS65291 [0,2,0,0,0,0|1,0,0]=3 2410 B9R1.3 Cc1cccc(c1C)F TS65316 [0,2,0,0,0,0|1,0,0]=3 2411 B9R1.3 Cc1cccc(c1C)I TS25160 [0,2,0,0,0,0|1,0,0]=3 2412 B9R1.3 Cc1cccc(c1C)N TS07902 [0,2,0,0,0,0|1,0,0]=3 2413 B9R1.3 Cc1cccc(c1C)N TS10929 [0,2,0,0,0,0|1,0,0]=3 2414 B9R1.3 Cc1cccc(c1C)O TS07901 [0,2,0,0,0,0|0,1,0]=3 2415 B9R1.3 Cc1cccc(c1C)S TS06305 [0,2,0,0,0,0|0,0,0]=2 2416 B9R1.3 Cc1cccc(c1C)[Zn+] TS55969 [0,2,0,0,0,0|1,0,0]=3 2417 B9R1.3 Cc1cccc(c1Cl)Br TS20048 [0,2,0,0,0,0|1,0,0]=3 2418 B9R1.3 Cc1cccc(c1Cl)C TS37458 [0,2,0,0,0,0|1,0,0]=3 2419 B9R1.3 Cc1cccc(c1Cl)Cl TS11355 [0,2,0,0,0,0|1,0,0]=3 2420 B9R1.3 Cc1cccc(c1F)Br TS65480 [0,2,0,0,0,0|1,0,0]=3 2421 B9R1.3 Cc1cccc(c1F)C TS09256 [0,2,0,0,0,0|1,0,0]=3 2422 B9R1.3 Cc1cccc(c1F)Cl TS22994 [0,2,0,0,0,0|1,0,0]=3 2423 B9R1.3 Cc1cccc(c1F)I TS65047 [0,2,0,0,0,0|1,0,0]=3 2424 B9R1.3 Cc1cccc(c1F)N TS02631 [0,2,0,0,0,0|1,0,0]=3 2425 B9R1.3 Cc1cccc(c1F)O TS08401 [0,2,0,0,0,0|0,1,0]=3 2426 B9R1.3 Cc1cccc(c1I)C TS53266 [0,2,0,0,0,0|1,0,0]=3 2427 B9R1.3 Cc1cccc(c1I)Cl TS65975 [0,2,0,0,0,0|1,0,0]=3 2428 B9R1.3 Cc1cccc(c1I)F TS70566 [0,2,0,0,0,0|1,0,0]=3 2429 B9R1.3 Cc1cccc(c1N)Br TS48835 [0,2,0,0,0,0|1,0,0]=3 2430 B9R1.3 Cc1cccc(c1N)Cl TS00930 [0,2,0,0,0,0|1,0,0]=3 2431 B9R1.3 Cc1cccc(c1N)F TS55366 [0,2,0,0,0,0|1,0,0]=3 2432 B9R1.3 Cc1cccc(c1N)N TS00551 [0,2,0,0,0,0|1,0,0]=3 2433 B9R1.3 Cc1cccc(c1N)O TS47377 [0,2,0,0,0,0|0,1,0]=3 2434 B9R1.3 Cc1cccc(c1O)C TS04899 [0,2,0,0,0,0|0,1,0]=3 2435 B9R1.3 Cc1cccc(c1O)Cl TS37681 [0,2,0,0,0,0|0,1,0]=3 2436 B9R1.3 Cc1cccc(c1O)N TS55527 [0,2,0,0,0,0|0,1,0]=3 2437 B9R1.3 Cc1cccc(c1O)O TS32601 [0,2,0,0,0,0|0,1,0]=3 2438 B9R1.3 Cc1cccc(c1S)C TS06310 [0,2,0,0,0,0|0,0,0]=2 2439 B9R1.3 Cc1cccc(n1=O)C TS04973 [0,2,0,0,0,0|1,1,0]=4 2440 B9R1.3 Cc1cccn(=O)c1C TS04975 [0,2,0,0,0,0|1,1,0]=4 2441 B9R1.3 Cc1ccnc(c1Br)Br TS28128 [0,2,0,0,0,0|2,0,0]=4 2442 B9R1.3 Cc1ccnc(c1Br)Cl TS22883 [0,2,0,0,0,0|2,0,0]=4 2443 B9R1.3 Cc1ccnc(c1Br)F TS16861 [0,2,0,0,0,0|2,0,0]=4 2444 B9R1.3 Cc1ccnc(c1Br)N TS08277 [0,2,0,0,0,0|2,0,0]=4 2445 B9R1.3 Cc1ccnc(c1Br)O TS15903 [0,2,0,0,0,0|1,1,0]=4 2446 B9R1.3 Cc1ccnc(c1Cl)Br TS39095 [0,2,0,0,0,0|2,0,0]=4 2447 B9R1.3 Cc1ccnc(c1Cl)Cl TS11470 [0,2,0,0,0,0|2,0,0]=4 2448 B9R1.3 Cc1ccnc(c1Cl)N TS06802 [0,2,0,0,0,0|2,0,0]=4 2449 B9R1.3 Cc1ccnc(c1F)Br TS09119 [0,2,0,0,0,0|2,0,0]=4 2450 B9R1.3 Cc1ccnc(c1F)Cl TS65041 [0,2,0,0,0,0|2,0,0]=4 2451 B9R1.3 Cc1ccnc(c1I)Br TS07705 [0,2,0,0,0,0|2,0,0]=4 2452 B9R1.3 Cc1ccnc(c1N)Br TS02619 [0,2,0,0,0,0|2,0,0]=4 2453 B9R1.3 Cc1ccnc(c1N)Cl TS06798 [0,2,0,0,0,0|2,0,0]=4 2454 B9R1.3 Cc1ccnc(c1N)F TS55344 [0,2,0,0,0,0|2,0,0]=4 2455 B9R1.3 Cc1ccnc(c1N)N TS71234 [0,2,0,0,0,0|2,0,0]=4 2456 B9R1.3 Cc1ccnc(c1O)Cl TS06902 [0,2,0,0,0,0|1,1,0]=4 2457 B9R1.3 Cc1cncc(c1Br)C TS48834 [0,2,0,0,0,0|2,0,0]=4 2458 B9R1.3 Cc1cncc(c1N)Br TS49015 [0,2,0,0,0,0|2,0,0]=4 2459 B9R1.3 Cc1cncc(c1N)C TS04913 [0,2,0,0,0,0|2,0,0]=4 2460 B9R1.3 Cc1cncc(c1N)Cl TS06804 [0,2,0,0,0,0|2,0,0]=4 2461 B9R1.3 Cc1cncc(c1N)I TS02986 [0,2,0,0,0,0|2,0,0]=4 2462 B9R1.3 Cc1cncc(c1O)F TS05257 [0,2,0,0,0,0|1,1,0]=4 2463 B9R1.3 Cn1cccc(c1=O)Br TS91255 [0,2,0,0,0,0|1,1,0]=4 2464 B9R1.3 Cn1cccc(c1=O)N TS86768 [0,2,0,0,0,0|1,1,0]=4 2465 B9R1.3 c1c(c(c(cn1)Br)Br)Br TS65737 [0,2,0,0,0,0|2,0,0]=4 2466 B9R1.3 c1c(c(c(cn1)Br)Cl)Br TS89140 [0,2,0,0,0,0|2,0,0]=4 2467 B9R1.3 c1c(c(c(cn1)Br)N)Br TS63065 [0,2,0,0,0,0|2,0,0]=4 2468 B9R1.3 c1c(c(c(cn1)Cl)Br)Cl TS60049 [0,2,0,0,0,0|2,0,0]=4 2469 B9R1.3 c1c(c(c(cn1)Cl)Cl)Cl TS85431 [0,2,0,0,0,0|2,0,0]=4 2470 B9R1.3 c1c(c(c(cn1)Cl)F)Cl TS16721 [0,2,0,0,0,0|2,0,0]=4 2471 B9R1.3 c1c(c(c(cn1)Cl)N)Cl TS65793 [0,2,0,0,0,0|2,0,0]=4 2472 B9R1.3 c1c(c(c(cn1)Cl)N)Cl TS85450 [0,2,0,0,0,0|2,0,0]=4 2473 B9R1.3 c1c(c(c(cn1)Cl)N)N TS08704 [0,2,0,0,0,0|2,0,0]=4 2474 B9R1.3 c1c(c(c(cn1)Cl)O)Cl TS65782 [0,2,0,0,0,0|1,1,0]=4 2475 B9R1.3 c1c(c(c(cn1)F)N)F TS36450 [0,2,0,0,0,0|2,0,0]=4 2476 B9R1.3 c1c(c(c(cn1)N)N)N TS05026 [0,2,0,0,0,0|2,0,0]=4 2477 B9R1.3 c1cc([n+](c(c1)Cl)F)Cl TS28535 [0,2,0,0,0,0|2,0,0]=4 2478 B9R1.3 c1cc([n+](c(c1)Cl)F)Cl TS76817 [0,2,0,0,0,0|2,0,0]=4 2479 B9R1.3 c1cc(c(c(c1)Br)Br)Br TS76732 [0,2,0,0,0,0|1,0,0]=3 2480 B9R1.3 c1cc(c(c(c1)Br)Br)O TS63062 [0,2,0,0,0,0|0,1,0]=3 2481 B9R1.3 c1cc(c(c(c1)Br)Cl)Cl TS46906 [0,2,0,0,0,0|1,0,0]=3 2482 B9R1.3 c1cc(c(c(c1)Br)Cl)F TS09267 [0,2,0,0,0,0|1,0,0]=3 2483 B9R1.3 c1cc(c(c(c1)Br)Cl)O TS65078 [0,2,0,0,0,0|0,1,0]=3 2484 B9R1.3 c1cc(c(c(c1)Br)F)Cl TS65970 [0,2,0,0,0,0|1,0,0]=3 2485 B9R1.3 c1cc(c(c(c1)Br)F)F TS46907 [0,2,0,0,0,0|1,0,0]=3 2486 B9R1.3 c1cc(c(c(c1)Br)I)O TS58872 [0,2,0,0,0,0|0,1,0]=3 2487 B9R1.3 c1cc(c(c(c1)Br)N)Br TS00693 [0,2,0,0,0,0|1,0,0]=3 2488 B9R1.3 c1cc(c(c(c1)Br)N)Cl TS39091 [0,2,0,0,0,0|1,0,0]=3 2489 B9R1.3 c1cc(c(c(c1)Br)N)F TS55143 [0,2,0,0,0,0|1,0,0]=3 2490 B9R1.3 c1cc(c(c(c1)Br)N)N TS49020 [0,2,0,0,0,0|1,0,0]=3 2491 B9R1.3 c1cc(c(c(c1)Br)N)O TS08284 [0,2,0,0,0,0|0,1,0]=3 2492 B9R1.3 c1cc(c(c(c1)Br)O)Br TS00698 [0,2,0,0,0,0|0,1,0]=3 2493 B9R1.3 c1cc(c(c(c1)Br)O)F TS60270 [0,2,0,0,0,0|0,1,0]=3 2494 B9R1.3 c1cc(c(c(c1)Br)O)N TS00797 [0,2,0,0,0,0|0,1,0]=3 2495 B9R1.3 c1cc(c(c(c1)Cl)Br)Cl TS46911 [0,2,0,0,0,0|1,0,0]=3 2496 B9R1.3 c1cc(c(c(c1)Cl)Br)F TS55256 [0,2,0,0,0,0|1,0,0]=3 2497 B9R1.3 c1cc(c(c(c1)Cl)Br)O TS43335 [0,2,0,0,0,0|0,1,0]=3 2498 B9R1.3 c1cc(c(c(c1)Cl)Cl)Cl TS48138 [0,2,0,0,0,0|1,0,0]=3 2499 B9R1.3 c1cc(c(c(c1)Cl)Cl)F TS02330 [0,2,0,0,0,0|1,0,0]=3 2500 B9R1.3 c1cc(c(c(c1)Cl)Cl)N TS11474 [0,2,0,0,0,0|1,0,0]=3 2501 B9R1.3 c1cc(c(c(c1)Cl)Cl)O TS07896 [0,2,0,0,0,0|0,1,0]=3 2502 B9R1.3 c1cc(c(c(c1)Cl)Cl)S TS14337 [0,2,0,0,0,0|0,0,0]=2 2503 B9R1.3 c1cc(c(c(c1)Cl)F)Cl TS47301 [0,2,0,0,0,0|1,0,0]=3 2504 B9R1.3 c1cc(c(c(c1)Cl)F)F TS65290 [0,2,0,0,0,0|1,0,0]=3 2505 B9R1.3 c1cc(c(c(c1)Cl)F)N TS65967 [0,2,0,0,0,0|1,0,0]=3 2506 B9R1.3 c1cc(c(c(c1)Cl)F)O TS65486 [0,2,0,0,0,0|0,1,0]=3 2507 B9R1.3 c1cc(c(c(c1)Cl)I)Cl TS59885 [0,2,0,0,0,0|1,0,0]=3 2508 B9R1.3 c1cc(c(c(c1)Cl)I)N TS28513 [0,2,0,0,0,0|1,0,0]=3 2509 B9R1.3 c1cc(c(c(c1)Cl)I)O TS67648 [0,2,0,0,0,0|0,1,0]=3 2510 B9R1.3 c1cc(c(c(c1)Cl)N)Cl TS47295 [0,2,0,0,0,0|1,0,0]=3 2511 B9R1.3 c1cc(c(c(c1)Cl)N)F TS55254 [0,2,0,0,0,0|1,0,0]=3 2512 B9R1.3 c1cc(c(c(c1)Cl)N)S TS11196 [0,2,0,0,0,0|0,0,0]=2 2513 B9R1.3 c1cc(c(c(c1)Cl)O)Cl TS11645 [0,2,0,0,0,0|0,1,0]=3 2514 B9R1.3 c1cc(c(c(c1)Cl)O)F TS55258 [0,2,0,0,0,0|0,1,0]=3 2515 B9R1.3 c1cc(c(c(c1)Cl)S)Cl TS47674 [0,2,0,0,0,0|0,0,0]=2 2516 B9R1.3 c1cc(c(c(c1)F)Br)F TS55067 [0,2,0,0,0,0|1,0,0]=3 2517 B9R1.3 c1cc(c(c(c1)F)Br)N TS08301 [0,2,0,0,0,0|1,0,0]=3 2518 B9R1.3 c1cc(c(c(c1)F)Br)O TS08300 [0,2,0,0,0,0|0,1,0]=3 2519 B9R1.3 c1cc(c(c(c1)F)Cl)F TS85137 [0,2,0,0,0,0|1,0,0]=3 2520 B9R1.3 c1cc(c(c(c1)F)Cl)N TS08397 [0,2,0,0,0,0|1,0,0]=3 2521 B9R1.3 c1cc(c(c(c1)F)Cl)O TS55192 [0,2,0,0,0,0|0,1,0]=3 2522 B9R1.3 c1cc(c(c(c1)F)F)F TS05699 [0,2,0,0,0,0|1,0,0]=3 2523 B9R1.3 c1cc(c(c(c1)F)F)N TS44666 [0,2,0,0,0,0|1,0,0]=3 2524 B9R1.3 c1cc(c(c(c1)F)F)O TS00559 [0,2,0,0,0,0|0,1,0]=3 2525 B9R1.3 c1cc(c(c(c1)F)I)F TS26442 [0,2,0,0,0,0|1,0,0]=3 2526 B9R1.3 c1cc(c(c(c1)F)I)N TS09364 [0,2,0,0,0,0|1,0,0]=3 2527 B9R1.3 c1cc(c(c(c1)F)I)O TS57022 [0,2,0,0,0,0|0,1,0]=3 2528 B9R1.3 c1cc(c(c(c1)F)N)F TS34648 [0,2,0,0,0,0|1,0,0]=3 2529 B9R1.3 c1cc(c(c(c1)F)O)F TS47306 [0,2,0,0,0,0|0,1,0]=3 2530 B9R1.3 c1cc(c(c(c1)F)O)N TS01226 [0,2,0,0,0,0|0,1,0]=3 2531 B9R1.3 c1cc(c(c(c1)F)O)O TS70596 [0,2,0,0,0,0|0,1,0]=3 2532 B9R1.3 c1cc(c(c(c1)I)Br)O TS58871 [0,2,0,0,0,0|0,1,0]=3 2533 B9R1.3 c1cc(c(c(c1)I)Cl)O TS67649 [0,2,0,0,0,0|0,1,0]=3 2534 B9R1.3 c1cc(c(c(c1)I)F)Cl TS65485 [0,2,0,0,0,0|1,0,0]=3 2535 B9R1.3 c1cc(c(c(c1)I)I)O TS78771 [0,2,0,0,0,0|0,1,0]=3 2536 B9R1.3 c1cc(c(c(c1)I)N)Cl TS28514 [0,2,0,0,0,0|1,0,0]=3 2537 B9R1.3 c1cc(c(c(c1)I)N)F TS25993 [0,2,0,0,0,0|1,0,0]=3 2538 B9R1.3 c1cc(c(c(c1)I)N)O TS25664 [0,2,0,0,0,0|0,1,0]=3 2539 B9R1.3 c1cc(c(c(c1)I)O)F TS57023 [0,2,0,0,0,0|0,1,0]=3 2540 B9R1.3 c1cc(c(c(c1)O)Br)O TS85134 [0,2,0,0,0,0|0,1,0]=3 2541 B9R1.3 c1cc(c(c(c1)O)Cl)N TS06903 [0,2,0,0,0,0|0,1,0]=3 2542 B9R1.3 c1cc(c(c(c1)O)Cl)O TS00967 [0,2,0,0,0,0|0,1,0]=3 2543 B9R1.3 c1cc(c(c(c1)O)F)O TS65432 [0,2,0,0,0,0|0,1,0]=3 2544 B9R1.3 c1cc(c(c(c1)O)N)N TS00548 [0,2,0,0,0,0|0,1,0]=3 2545 B9R1.3 c1cc(c(c(c1)O)N)O TS08269 [0,2,0,0,0,0|0,1,0]=3 2546 B9R1.3 c1cc(c(c(c1)O)N)O TS09111 [0,2,0,0,0,0|0,1,0]=3 2547 B9R1.3 c1cc(c(c(c1)O)O)O TS05138 [0,2,0,0,0,0|0,1,0]=3 2548 B9R1.3 c1cc(c(n(=O)c1)Cl)F TS07387 [0,2,0,0,0,0|1,1,0]=4 2549 B9R1.3 c1cc(n(=O)c(c1)Cl)Cl TS11786 [0,2,0,0,0,0|1,1,0]=4 2550 B9R1.3 c1cnc(c(c1Br)N)Br TS63066 [0,2,0,0,0,0|2,0,0]=4 2551 B9R1.3 c1cnc(c(c1Br)N)N TS91320 [0,2,0,0,0,0|2,0,0]=4 2552 B9R1.3 c1cnc(c(c1Br)O)N TS73944 [0,2,0,0,0,0|1,1,0]=4 2553 B9R1.3 c1cnc(c(c1Cl)Cl)N TS11649 [0,2,0,0,0,0|2,0,0]=4 2554 B9R1.3 c1cnc(c(c1Cl)F)F TS40791 [0,2,0,0,0,0|2,0,0]=4 2555 B9R1.3 c1cnc(c(c1Cl)I)Cl TS85395 [0,2,0,0,0,0|2,0,0]=4 2556 B9R1.3 c1cnc(c(c1Cl)I)N TS28682 [0,2,0,0,0,0|2,0,0]=4 2557 B9R1.3 c1cnc(c(c1Cl)N)Cl TS65839 [0,2,0,0,0,0|2,0,0]=4 2558 B9R1.3 c1cnc(c(c1Cl)N)N TS90107 [0,2,0,0,0,0|2,0,0]=4 2559 B9R1.3 c1cnc(c(c1I)Br)Cl TS61410 [0,2,0,0,0,0|2,0,0]=4 2560 B9R1.3 c1cnc(c(c1I)Br)F TS65079 [0,2,0,0,0,0|2,0,0]=4 2561 B9R1.3 c1cnc(c(c1I)Cl)Cl TS85393 [0,2,0,0,0,0|2,0,0]=4 2562 B9R1.3 c1cnc(c(c1I)F)Cl TS08394 [0,2,0,0,0,0|2,0,0]=4 2563 B9R1.3 c1cnc(c(c1I)F)F TS57486 [0,2,0,0,0,0|2,0,0]=4 2564 B9R1.3 c1cnc(c(c1I)I)F TS64660 [0,2,0,0,0,0|2,0,0]=4 2565 B9R1.3 c1cnc(c(c1N)Br)Cl TS43337 [0,2,0,0,0,0|2,0,0]=4 2566 B9R1.3 c1cnc(c(c1N)Br)O TS16114 [0,2,0,0,0,0|1,1,0]=4 2567 B9R1.3 c1cnc(c(c1N)Cl)O TS70878 [0,2,0,0,0,0|1,1,0]=4 2568 B9R1.3 c1cnc(c(c1N)N)Br TS85763 [0,2,0,0,0,0|2,0,0]=4 2569 B9R1.3 c1cnc(c(c1N)N)Cl TS08389 [0,2,0,0,0,0|2,0,0]=4 2570 B9R1.3 c1cnc(c(c1N)N)N TS59370 [0,2,0,0,0,0|2,0,0]=4 2571 B9R1.3 c1cnc(c(c1N)N)O TS02527 [0,2,0,0,0,0|1,1,0]=4 2572 B9R1.3 c1nc(c(c(n1)S)N)N TS06682 [0,2,0,0,0,0|2,0,0]=4 2573 B9R1.34 Cc1cc(=O)cc(o1)C TS08800 [0,2,0,0,0,0|1,1,0]=4 2574 B9R1.34 Cc1cc([nH]c(=O)c1)O TS91354 [0,2,0,0,0,0|1,1,0]=4 2575 B9R1.34 Cc1cc([o+]c(c1)C)C TS43713 [0,2,0,0,0,0|2,0,0]=4 2576 B9R1.34 Cc1cc(cc(=O)[nH]1)O TS05069 [0,2,0,0,0,0|1,1,0]=4 2577 B9R1.34 Cc1cc(cc(=O)o1)O TS71159 [0,2,0,0,0,0|1,1,0]=4 2578 B9R1.34 Cc1cc(cc(c1)Br)Br TS02581 [0,2,0,0,0,0|1,0,0]=3 2579 B9R1.34 Cc1cc(cc(c1)Br)C TS39522 [0,2,0,0,0,0|1,0,0]=3 2580 B9R1.34 Cc1cc(cc(c1)Br)F TS60338 [0,2,0,0,0,0|1,0,0]=3 2581 B9R1.34 Cc1cc(cc(c1)Br)O TS60008 [0,2,0,0,0,0|0,1,0]=3 2582 B9R1.34 Cc1cc(cc(c1)C)C TS04831 [0,2,0,0,0,0|1,0,0]=3 2583 B9R1.34 Cc1cc(cc(c1)Cl)C TS37452 [0,2,0,0,0,0|1,0,0]=3 2584 B9R1.34 Cc1cc(cc(c1)Cl)Cl TS02195 [0,2,0,0,0,0|1,0,0]=3 2585 B9R1.34 Cc1cc(cc(c1)Cl)F TS40000 [0,2,0,0,0,0|1,0,0]=3 2586 B9R1.34 Cc1cc(cc(c1)Cl)O TS65999 [0,2,0,0,0,0|0,1,0]=3 2587 B9R1.34 Cc1cc(cc(c1)F)C TS65460 [0,2,0,0,0,0|1,0,0]=3 2588 B9R1.34 Cc1cc(cc(c1)F)F TS02199 [0,2,0,0,0,0|1,0,0]=3 2589 B9R1.34 Cc1cc(cc(c1)F)N TS36054 [0,2,0,0,0,0|1,0,0]=3 2590 B9R1.34 Cc1cc(cc(c1)I)C TS32973 [0,2,0,0,0,0|1,0,0]=3 2591 B9R1.34 Cc1cc(cc(c1)I)F TS09380 [0,2,0,0,0,0|1,0,0]=3 2592 B9R1.34 Cc1cc(cc(c1)I)I TS78662 [0,2,0,0,0,0|1,0,0]=3 2593 B9R1.34 Cc1cc(cc(c1)N)C TS00132 [0,2,0,0,0,0|1,0,0]=3 2594 B9R1.34 Cc1cc(cc(c1)O)C TS00131 [0,2,0,0,0,0|0,1,0]=3 2595 B9R1.34 Cc1cc(cc(c1)O)N TS65077 [0,2,0,0,0,0|0,1,0]=3 2596 B9R1.34 Cc1cc(cc(c1)O)O TS93840 [0,2,0,0,0,0|0,1,0]=3 2597 B9R1.34 Cc1cc(cc(c1)O)O TS93948 [0,2,0,0,0,0|0,1,0]=3 2598 B9R1.34 Cc1cc(cc(c1)P)C TS37177 [0,2,0,0,0,0|1,0,0]=3 2599 B9R1.34 Cc1cc(cc(c1)S)C TS06301 [0,2,0,0,0,0|0,0,0]=2 2600 B9R1.34 Cc1cc(cc(n1)C)Br TS16926 [0,2,0,0,0,0|2,0,0]=4 2601 B9R1.34 Cc1cc(cc(n1)C)Cl TS03036 [0,2,0,0,0,0|2,0,0]=4 2602 B9R1.34 Cc1cc(cc(n1)C)I TS53417 [0,2,0,0,0,0|2,0,0]=4 2603 B9R1.34 Cc1cc(cc(n1)C)O TS47320 [0,2,0,0,0,0|1,1,0]=4 2604 B9R1.34 Cc1cc(cc(n1)Cl)Cl TS11471 [0,2,0,0,0,0|2,0,0]=4 2605 B9R1.34 Cc1cc(cc(n1)F)I TS39275 [0,2,0,0,0,0|2,0,0]=4 2606 B9R1.34 Cc1cc(cc(n1)O)O TS36049 [0,2,0,0,0,0|1,1,0]=4 2607 B9R1.34 Cc1cc(cn(=O)c1)C TS04962 [0,2,0,0,0,0|1,1,0]=4 2608 B9R1.34 Cc1cc(cn(=O)c1)F TS36213 [0,2,0,0,0,0|1,1,0]=4 2609 B9R1.34 Cc1cc(nc(c1)Br)C TS55094 [0,2,0,0,0,0|2,0,0]=4 2610 B9R1.34 Cc1cc(nc(c1)Br)Cl TS55139 [0,2,0,0,0,0|2,0,0]=4 2611 B9R1.34 Cc1cc(nc(c1)Br)F TS16273 [0,2,0,0,0,0|2,0,0]=4 2612 B9R1.34 Cc1cc(nc(c1)C)C TS32481 [0,2,0,0,0,0|2,0,0]=4 2613 B9R1.34 Cc1cc(nc(c1)C)C TS37495 [0,2,0,0,0,0|2,0,0]=4 2614 B9R1.34 Cc1cc(nc(c1)Cl)C TS07712 [0,2,0,0,0,0|2,0,0]=4 2615 B9R1.34 Cc1cc(nc(c1)Cl)Cl TS11469 [0,2,0,0,0,0|2,0,0]=4 2616 B9R1.34 Cc1cc(nc(c1)Cl)N TS85120 [0,2,0,0,0,0|2,0,0]=4 2617 B9R1.34 Cc1cc(nc(c1)N)C TS47386 [0,2,0,0,0,0|2,0,0]=4 2618 B9R1.34 Cc1cc(nc(c1)N)N TS85154 [0,2,0,0,0,0|2,0,0]=4 2619 B9R1.34 Cc1cc(nc(n1)S)C TS37398 [0,2,0,0,0,0|2,0,0]=4 2620 B9R1.34 Cc1cc(nc(n1)S)O TS59737 [0,2,0,0,0,0|2,0,0]=4 2621 B9R1.34 Cc1cc(oc(=O)c1)C TS32596 [0,2,0,0,0,0|1,1,0]=4 2622 B9R1.34 c1c(c[n+](cc1Cl)F)Cl TS28534 [0,2,0,0,0,0|2,0,0]=4 2623 B9R1.34 c1c(c[n+](cc1Cl)F)Cl TS76818 [0,2,0,0,0,0|2,0,0]=4 2624 B9R1.34 c1c(c[n+](cc1Cl)[O-])Cl TS42654 [0,2,0,0,0,0|1,1,0]=4 2625 B9R1.34 c1c(cc(cc1Br)Br)Br TS00356 [0,2,0,0,0,0|1,0,0]=3 2626 B9R1.34 c1c(cc(cc1Br)Br)Cl TS02577 [0,2,0,0,0,0|1,0,0]=3 2627 B9R1.34 c1c(cc(cc1Br)Br)F TS00387 [0,2,0,0,0,0|1,0,0]=3 2628 B9R1.34 c1c(cc(cc1Br)Br)O TS02578 [0,2,0,0,0,0|0,1,0]=3 2629 B9R1.34 c1c(cc(cc1Br)I)Br TS66452 [0,2,0,0,0,0|1,0,0]=3 2630 B9R1.34 c1c(cc(cc1Br)I)Cl TS46924 [0,2,0,0,0,0|1,0,0]=3 2631 B9R1.34 c1c(cc(cc1Br)I)F TS09379 [0,2,0,0,0,0|1,0,0]=3 2632 B9R1.34 c1c(cc(cc1Cl)Br)Cl TS00025 [0,2,0,0,0,0|1,0,0]=3 2633 B9R1.34 c1c(cc(cc1Cl)Br)F TS09356 [0,2,0,0,0,0|1,0,0]=3 2634 B9R1.34 c1c(cc(cc1Cl)Br)N TS65924 [0,2,0,0,0,0|1,0,0]=3 2635 B9R1.34 c1c(cc(cc1Cl)Br)O TS09334 [0,2,0,0,0,0|0,1,0]=3 2636 B9R1.34 c1c(cc(cc1Cl)Cl)Cl TS07878 [0,2,0,0,0,0|1,0,0]=3 2637 B9R1.34 c1c(cc(cc1Cl)Cl)F TS02357 [0,2,0,0,0,0|1,0,0]=3 2638 B9R1.34 c1c(cc(cc1Cl)Cl)N TS00129 [0,2,0,0,0,0|1,0,0]=3 2639 B9R1.34 c1c(cc(cc1Cl)Cl)O TS65789 [0,2,0,0,0,0|0,1,0]=3 2640 B9R1.34 c1c(cc(cc1Cl)Cl)S TS14338 [0,2,0,0,0,0|0,0,0]=2 2641 B9R1.34 c1c(cc(cc1Cl)I)Cl TS33452 [0,2,0,0,0,0|1,0,0]=3 2642 B9R1.34 c1c(cc(cc1Cl)[Zn+])Cl TS64120 [0,2,0,0,0,0|1,0,0]=3 2643 B9R1.34 c1c(cc(cc1F)Br)F TS46922 [0,2,0,0,0,0|1,0,0]=3 2644 B9R1.34 c1c(cc(cc1F)Br)N TS51007 [0,2,0,0,0,0|1,0,0]=3 2645 B9R1.34 c1c(cc(cc1F)Br)O TS09338 [0,2,0,0,0,0|0,1,0]=3 2646 B9R1.34 c1c(cc(cc1F)Cl)F TS09201 [0,2,0,0,0,0|1,0,0]=3 2647 B9R1.34 c1c(cc(cc1F)Cl)N TS09351 [0,2,0,0,0,0|1,0,0]=3 2648 B9R1.34 c1c(cc(cc1F)Cl)O TS07276 [0,2,0,0,0,0|0,1,0]=3 2649 B9R1.34 c1c(cc(cc1F)F)F TS05698 [0,2,0,0,0,0|1,0,0]=3 2650 B9R1.34 c1c(cc(cc1F)F)N TS00130 [0,2,0,0,0,0|1,0,0]=3 2651 B9R1.34 c1c(cc(cc1F)F)O TS02587 [0,2,0,0,0,0|0,1,0]=3 2652 B9R1.34 c1c(cc(cc1F)I)F TS02205 [0,2,0,0,0,0|1,0,0]=3 2653 B9R1.34 c1c(cc(cc1F)I)N TS09378 [0,2,0,0,0,0|1,0,0]=3 2654 B9R1.34 c1c(cc(cc1F)S)F TS40405 [0,2,0,0,0,0|0,0,0]=2 2655 B9R1.34 c1c(cc(cc1I)I)Br TS81372 [0,2,0,0,0,0|1,0,0]=3 2656 B9R1.34 c1c(cc(cc1I)I)F TS64594 [0,2,0,0,0,0|1,0,0]=3 2657 B9R1.34 c1c(cc(cc1I)I)I TS82498 [0,2,0,0,0,0|1,0,0]=3 2658 B9R1.34 c1c(cc(cc1N)Br)N TS94284 [0,2,0,0,0,0|1,0,0]=3 2659 B9R1.34 c1c(cc(cc1N)Cl)N TS06800 [0,2,0,0,0,0|1,0,0]=3 2660 B9R1.34 c1c(cc(cc1N)N)N TS32579 [0,2,0,0,0,0|1,0,0]=3 2661 B9R1.34 c1c(cc(cc1O)O)N TS39338 [0,2,0,0,0,0|0,1,0]=3 2662 B9R1.34 c1c(cc(cc1O)O)O TS93943 [0,2,0,0,0,0|0,1,0]=3 2663 B9R1.34 c1c(cc(cc1O)O)O TS94513 [0,2,0,0,0,0|0,1,0]=3 2664 B9R1.34 c1c(cc(nc1Cl)Cl)Cl TS87981 [0,2,0,0,0,0|2,0,0]=4 2665 B9R1.34 c1c(cc(nc1Cl)Cl)I TS33549 [0,2,0,0,0,0|2,0,0]=4 2666 B9R1.34 c1c(cc(nc1Cl)Cl)N TS34639 [0,2,0,0,0,0|2,0,0]=4 2667 B9R1.34 c1c(cc(nc1Cl)Cl)O TS47293 [0,2,0,0,0,0|1,1,0]=4 2668 B9R1.34 c1c(cc(nc1F)F)F TS05806 [0,2,0,0,0,0|2,0,0]=4 2669 B9R1.34 c1c(cc(nc1N)Cl)Cl TS47379 [0,2,0,0,0,0|2,0,0]=4 2670 B9R1.34 c1c(cc(nc1N)N)Br TS70953 [0,2,0,0,0,0|2,0,0]=4 2671 B9R1.34 c1c(cc(nc1N)O)O TS05144 [0,2,0,0,0,0|1,1,0]=4 2672 B9R1.34 c1c(cn(=O)cc1Br)Br TS08850 [0,2,0,0,0,0|1,1,0]=4 2673 B9R1.34 c1c(nc(nc1N)S)N TS06683 [0,2,0,0,0,0|2,0,0]=4 2674 B9R1.34 c1c(nc(nc1O)S)N TS55528 [0,2,0,0,0,0|2,0,0]=4 2675 B9R1.34 c1c(nc(nc1O)S)N TS55531 [0,2,0,0,0,0|2,0,0]=4 2676 B9R1.34 c1c(nc(nc1O)S)O TS40162 [0,2,0,0,0,0|2,0,0]=4 2677 B9R1.34 c1c(nc(nc1O)S)O TS40164 [0,2,0,0,0,0|2,0,0]=4 2678 B9R1.34 c1c(nc(nc1S)N)N TS06681 [0,2,0,0,0,0|2,0,0]=4 2679 B9R1.34 c1c(nc(nc1S)N)N TS57390 [0,2,0,0,0,0|2,0,0]=4 2680 B9R1.34 c1c(nc(nc1S)N)N TS67244 [0,2,0,0,0,0|2,0,0]=4 2681 B7R1.24 C1C=CC=CC=C1 TS03657 [0,0,1,1,0,0|1,0,0]=3 2682 B7R1.24 C1C=CC=CC=C1 TS33327 [0,0,1,1,0,0|1,0,0]=3 2683 B7R1.24 c1ccc[cH+]cc1 TS14124 [0,0,1,1,0,0|1,0,0]=3 2684 B7R1.24 c1ccc[cH+]cc1 TS56751 [0,0,1,1,0,0|1,0,0]=3 2685 B9R2.50 c1ccc2c(c1)CC2 TS04044 [0,1,0,1,0,0|1,0,0]=3 2686 B5R1.1 C1C=CC=C1 TS02712 [1,0,0,0,1,0|0,0,1]=3 2687 B5R1.1 [cH-]1cccc1 TS03571 [1,0,0,0,1,0|0,0,1]=3 2688 B5R1.1 [cH-]1cccc1 TS16106 [1,0,0,0,1,0|0,0,1]=3 2689 B5R1.1 [cH-]1cccc1 TS27849 [1,0,0,0,1,0|0,0,1]=3 2690 B5R1.1 [cH-]1cccc1 TS48823 [1,0,0,0,1,0|0,0,1]=3 2691 B5R1.1 [cH-]1cccc1 TS53175 [1,0,0,0,1,0|0,0,1]=3 2692 B5R1.1 [cH-]1cccc1 TS58447 [1,0,0,0,1,0|0,0,1]=3 2693 B5R1.1 c1c[nH]nc1 TS39604 [1,0,0,0,1,0|2,0,0]=4 2694 B5R1.1 c1cc[nH]c1 TS39606 [1,0,0,0,1,0|1,0,0]=3 2695 B5R1.1 c1ccoc1 TS70860 [1,0,0,0,1,0|1,0,0]=3 2696 B5R1.1 c1ccsc1 TS00282 [1,0,0,0,1,0|1,0,0]=3 2697 B5R1.1 c1cnc[nH]1 TS04054 [1,0,0,0,1,0|2,0,0]=4 2698 B5R1.1 c1cnc[nH]1 TS74504 [1,0,0,0,1,0|2,0,0]=4 2699 B5R1.1 c1cnoc1 TS56202 [1,0,0,0,1,0|2,0,0]=4 2700 B5R1.1 c1cnsc1 TS56199 [1,0,0,0,1,0|2,0,0]=4 2701 B5R1.1 c1cocn1 TS03082 [1,0,0,0,1,0|2,0,0]=4 2702 B5R1.1 c1cscn1 TS01819 [1,0,0,0,1,0|2,0,0]=4