0 B8R1.2 C#Cc1ccccc1 TS39865 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.2 C#Cc1ccccn1 TS55319 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.2 C#Cc1cccnc1 TS16364 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.2 C#Cc1cccnn1 TS91729 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.2 C#Cc1ccncc1 TS71113 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.2 C#Cc1ccncc1 TS90305 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.2 C#Cc1cnccn1 TS87522 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.2 C#Cc1cncnc1 TS86071 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.2 C1CC(=COC1)C=O TS31909 [0,0,0,0,0,0|1,0,3]=4 9 B8R1.2 C1CC(CC=C1)C=O TS60200 [0,0,0,0,0,0|0,0,4]=4 10 B8R1.2 C1CC(OC=C1)C=O TS89129 [0,0,0,0,0,0|1,0,3]=4 11 B8R1.2 C1CCC(=CC1)C=O TS31838 [0,0,0,0,0,0|0,0,4]=4 12 B8R1.2 C1COCC(=C1)C=O TS31902 [0,0,0,0,0,0|1,0,3]=4 13 B8R1.2 C=Cc1ccccc1 TS04045 [0,0,0,0,0,0|1,0,0]=1 14 B8R1.2 C=Cc1ccccn1 TS31704 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.2 C=Cc1cccnc1 TS31705 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.2 C=Cc1ccncc1 TS33177 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.2 C=Cc1cnccn1 TS04089 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.2 CCC1=CCC=CC1 TS04142 [0,0,0,0,0,0|1,0,3]=4 19 B8R1.2 CC[n+]1ccccc1 TS40125 [0,0,0,0,0,0|2,0,1]=3 20 B8R1.2 CC[n+]1ccccc1 TS50650 [0,0,0,0,0,0|2,0,1]=3 21 B8R1.2 CCc1ccccc1 TS04102 [0,0,0,0,0,0|1,0,1]=2 22 B8R1.2 CCc1ccccn1 TS55316 [0,0,0,0,0,0|2,0,1]=3 23 B8R1.2 CCc1cccnc1 TS04113 [0,0,0,0,0,0|2,0,1]=3 24 B8R1.2 CCc1ccncc1 TS04110 [0,0,0,0,0,0|2,0,1]=3 25 B8R1.2 CCc1cnccn1 TS31774 [0,0,0,0,0,0|3,0,1]=4 26 B8R1.2 CNc1ccccc1 TS31758 [0,0,0,0,0,0|2,0,0]=2 27 B8R1.2 CNc1ccccc1 TS40129 [0,0,0,0,0,0|2,0,0]=2 28 B8R1.2 CNc1ccccn1 TS22814 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.2 CNc1cccnc1 TS09432 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.2 CNc1ccncc1 TS16891 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.2 CNc1cnccn1 TS31803 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.2 CNc1ncccn1 TS31802 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.2 COc1ccccc1 TS39801 [0,0,0,0,0,0|2,0,0]=2 34 B8R1.2 COc1cccnn1 TS02827 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.2 COc1ccncc1 TS03163 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.2 COc1ccncn1 TS31815 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.2 COc1cnccn1 TS55429 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.2 COc1ncccn1 TS31823 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.2 CPc1ccccc1 TS32592 [0,0,0,0,0,0|2,0,0]=2 40 B8R1.2 CSc1ccccc1 TS36022 [0,0,0,0,0,0|2,0,0]=2 41 B8R1.2 CSc1ccccn1 TS05101 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.2 CSc1cccnc1 TS05108 [0,0,0,0,0,0|3,0,0]=3 43 B8R1.2 CSc1cnccn1 TS55418 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.2 CSc1ncccn1 TS36144 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.2 C[NH2+]c1ccccc1 TS49917 [0,0,0,0,0,0|2,0,0]=2 46 B8R1.2 C[SiH2]c1ccccc1 TS04929 [0,0,0,0,0,0|1,1,0]=2 47 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [0,0,0,0,0,0|2,0,0]=2 48 B8R1.2 c1c(cncn1)C#N TS03285 [0,0,0,0,0,0|3,0,1]=4 49 B8R1.2 c1c(cncn1)C=O TS01668 [0,0,0,0,0,0|2,0,0]=2 50 B8R1.2 c1c(cncn1)CCl TS91001 [0,0,0,0,0,0|3,0,1]=4 51 B8R1.2 c1c(cncn1)CCl TS91653 [0,0,0,0,0,0|3,0,1]=4 52 B8R1.2 c1c(cncn1)CN TS55503 [0,0,0,0,0,0|3,0,1]=4 53 B8R1.2 c1c(cncn1)CO TS55504 [0,0,0,0,0,0|2,0,2]=4 54 B8R1.2 c1c(cncn1)NN TS90574 [0,0,0,0,0,0|4,0,0]=4 55 B8R1.2 c1cc(cnc1)C#N TS02037 [0,0,0,0,0,0|2,0,1]=3 56 B8R1.2 c1cc(cnc1)CBr TS09437 [0,0,0,0,0,0|2,0,1]=3 57 B8R1.2 c1cc(cnc1)CCl TS00113 [0,0,0,0,0,0|2,0,1]=3 58 B8R1.2 c1cc(cnc1)CCl TS02031 [0,0,0,0,0,0|2,0,1]=3 59 B8R1.2 c1cc(cnc1)CI TS49544 [0,0,0,0,0,0|2,0,1]=3 60 B8R1.2 c1cc(cnc1)CI TS64566 [0,0,0,0,0,0|2,0,1]=3 61 B8R1.2 c1cc(cnc1)CN TS02883 [0,0,0,0,0,0|2,0,1]=3 62 B8R1.2 c1cc(cnc1)CO TS92960 [0,0,0,0,0,0|1,0,2]=3 63 B8R1.2 c1cc(cnc1)CO TS93835 [0,0,0,0,0,0|1,0,2]=3 64 B8R1.2 c1cc(cnc1)NN TS87727 [0,0,0,0,0,0|3,0,0]=3 65 B8R1.2 c1cc(nnc1)C#N TS87766 [0,0,0,0,0,0|3,0,1]=4 66 B8R1.2 c1cc(nnc1)C=O TS59366 [0,0,0,0,0,0|2,0,0]=2 67 B8R1.2 c1cc(nnc1)CCl TS90180 [0,0,0,0,0,0|3,0,1]=4 68 B8R1.2 c1cc(nnc1)CN TS90318 [0,0,0,0,0,0|3,0,1]=4 69 B8R1.2 c1cc(nnc1)CO TS59365 [0,0,0,0,0,0|2,0,2]=4 70 B8R1.2 c1ccc(cc1)C#N TS01882 [0,0,0,0,0,0|1,0,1]=2 71 B8R1.2 c1ccc(cc1)C#N TS80489 [0,0,0,0,0,0|1,0,1]=2 72 B8R1.2 c1ccc(cc1)C=O TS43757 [0,0,0,0,0,0|0,0,0]=0 73 B8R1.2 c1ccc(cc1)CCl TS36191 [0,0,0,0,0,0|1,0,1]=2 74 B8R1.2 c1ccc(cc1)CF TS31826 [0,0,0,0,0,0|1,0,1]=2 75 B8R1.2 c1ccc(cc1)CI TS09176 [0,0,0,0,0,0|1,0,1]=2 76 B8R1.2 c1ccc(cc1)CN TS01379 [0,0,0,0,0,0|1,0,1]=2 77 B8R1.2 c1ccc(cc1)CN TS40124 [0,0,0,0,0,0|1,0,1]=2 78 B8R1.2 c1ccc(cc1)CO TS31769 [0,0,0,0,0,0|0,0,2]=2 79 B8R1.2 c1ccc(cc1)CS TS36023 [0,0,0,0,0,0|0,1,1]=2 80 B8R1.2 c1ccc(cc1)I=O TS49692 [0,0,0,0,0,0|1,0,0]=1 81 B8R1.2 c1ccc(cc1)N=O TS31751 [0,0,0,0,0,0|1,0,0]=1 82 B8R1.2 c1ccc(cc1)NN TS07047 [0,0,0,0,0,0|2,0,0]=2 83 B8R1.2 c1ccc(cc1)NN TS31771 [0,0,0,0,0,0|2,0,0]=2 84 B8R1.2 c1ccc(cc1)NN TS61145 [0,0,0,0,0,0|2,0,0]=2 85 B8R1.2 c1ccc(cc1)NN TS76102 [0,0,0,0,0,0|2,0,0]=2 86 B8R1.2 c1ccc(cc1)NO TS31793 [0,0,0,0,0,0|1,0,1]=2 87 B8R1.2 c1ccc(cc1)NO TS37696 [0,0,0,0,0,0|1,0,1]=2 88 B8R1.2 c1ccc(cc1)ON TS07146 [0,0,0,0,0,0|2,0,0]=2 89 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [0,0,0,0,0,0|2,0,0]=2 90 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [0,0,0,0,0,0|2,0,0]=2 91 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [0,0,0,0,0,0|2,0,0]=2 92 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [0,0,0,0,0,0|2,0,0]=2 93 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [0,0,0,0,0,0|2,0,0]=2 94 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [0,0,0,0,0,0|2,0,0]=2 95 B8R1.2 c1ccnc(c1)C#N TS59347 [0,0,0,0,0,0|2,0,1]=3 96 B8R1.2 c1ccnc(c1)C=O TS02469 [0,0,0,0,0,0|1,0,0]=1 97 B8R1.2 c1ccnc(c1)CBr TS47083 [0,0,0,0,0,0|2,0,1]=3 98 B8R1.2 c1ccnc(c1)CCl TS47089 [0,0,0,0,0,0|2,0,1]=3 99 B8R1.2 c1ccnc(c1)CCl TS47090 [0,0,0,0,0,0|2,0,1]=3 100 B8R1.2 c1ccnc(c1)CN TS00811 [0,0,0,0,0,0|2,0,1]=3 101 B8R1.2 c1ccnc(c1)CO TS07144 [0,0,0,0,0,0|1,0,2]=3 102 B8R1.2 c1ccnc(c1)CO TS31798 [0,0,0,0,0,0|1,0,2]=3 103 B8R1.2 c1ccnc(c1)CS TS05100 [0,0,0,0,0,0|1,1,1]=3 104 B8R1.2 c1ccnc(c1)NN TS14875 [0,0,0,0,0,0|3,0,0]=3 105 B8R1.2 c1ccnc(c1)NN TS55380 [0,0,0,0,0,0|3,0,0]=3 106 B8R1.2 c1cnc(cn1)C#N TS55308 [0,0,0,0,0,0|3,0,1]=4 107 B8R1.2 c1cnc(cn1)C=O TS31759 [0,0,0,0,0,0|2,0,0]=2 108 B8R1.2 c1cnc(cn1)CCl TS88127 [0,0,0,0,0,0|3,0,1]=4 109 B8R1.2 c1cnc(cn1)CN TS01661 [0,0,0,0,0,0|3,0,1]=4 110 B8R1.2 c1cnc(cn1)CO TS88438 [0,0,0,0,0,0|2,0,2]=4 111 B8R1.2 c1cnc(cn1)CS TS36139 [0,0,0,0,0,0|2,1,1]=4 112 B8R1.2 c1cnc(cn1)NN TS55379 [0,0,0,0,0,0|4,0,0]=4 113 B8R1.2 c1cnc(nc1)C#N TS00975 [0,0,0,0,0,0|3,0,1]=4 114 B8R1.2 c1cnc(nc1)C=O TS02479 [0,0,0,0,0,0|2,0,0]=2 115 B8R1.2 c1cnc(nc1)CCl TS47091 [0,0,0,0,0,0|3,0,1]=4 116 B8R1.2 c1cnc(nc1)CCl TS88108 [0,0,0,0,0,0|3,0,1]=4 117 B8R1.2 c1cnc(nc1)CN TS02480 [0,0,0,0,0,0|3,0,1]=4 118 B8R1.2 c1cnc(nc1)CO TS00517 [0,0,0,0,0,0|2,0,2]=4 119 B8R1.2 c1cnc(nc1)NN TS85548 [0,0,0,0,0,0|4,0,0]=4 120 B8R1.2 c1cnccc1C#N TS03069 [0,0,0,0,0,0|2,0,1]=3 121 B8R1.2 c1cnccc1C=O TS59369 [0,0,0,0,0,0|1,0,0]=1 122 B8R1.2 c1cnccc1CBr TS39318 [0,0,0,0,0,0|2,0,1]=3 123 B8R1.2 c1cnccc1CCl TS16903 [0,0,0,0,0,0|2,0,1]=3 124 B8R1.2 c1cnccc1CN TS31773 [0,0,0,0,0,0|2,0,1]=3 125 B8R1.2 c1cnccc1CO TS07149 [0,0,0,0,0,0|1,0,2]=3 126 B8R1.2 c1cnccc1CO TS71297 [0,0,0,0,0,0|1,0,2]=3 127 B8R1.2 c1cnccc1NN TS89841 [0,0,0,0,0,0|3,0,0]=3 128 B8R1.2 c1cncnc1C=O TS01666 [0,0,0,0,0,0|2,0,0]=2 129 B8R1.2 c1cncnc1CN TS16892 [0,0,0,0,0,0|3,0,1]=4 130 B8R1.2 c1cncnc1CN TS85609 [0,0,0,0,0,0|3,0,1]=4 131 B8R1.2 c1cncnc1CO TS33139 [0,0,0,0,0,0|2,0,2]=4 132 B8R1.2 c1cnncc1C#N TS87033 [0,0,0,0,0,0|3,0,1]=4 133 B8R1.2 c1cnncc1C=O TS87334 [0,0,0,0,0,0|2,0,0]=2 134 B8R1.2 c1cnncc1CN TS90837 [0,0,0,0,0,0|3,0,1]=4 135 B8R1.2 c1cnncc1CO TS89532 [0,0,0,0,0,0|2,0,2]=4 136 B7R1.3 B=N1=CC=CC=C1 TS71871 [1,0,0,0,0,0|2,0,0]=3 137 B7R1.3 C1CC=CC(=O)C1 TS39840 [1,0,0,0,0,0|0,0,3]=4 138 B7R1.3 C1COC(=O)C=C1 TS03767 [1,0,0,0,0,0|1,0,2]=4 139 B7R1.3 CC1CC=CC=C1 TS03676 [1,0,0,0,0,0|0,0,3]=4 140 B7R1.3 C[n+]1ccccc1 TS05508 [1,0,0,0,0,0|1,0,1]=3 141 B7R1.3 C[n+]1ccccc1 TS45717 [1,0,0,0,0,0|1,0,1]=3 142 B7R1.3 Cc1ccccc1 TS71861 [1,0,0,0,0,0|0,0,1]=2 143 B7R1.3 Cc1ccccn1 TS71881 [1,0,0,0,0,0|1,0,1]=3 144 B7R1.3 Cc1ccccn1 TS93768 [1,0,0,0,0,0|1,0,1]=3 145 B7R1.3 Cc1cccnc1 TS39719 [1,0,0,0,0,0|1,0,1]=3 146 B7R1.3 Cc1cccnn1 TS70675 [1,0,0,0,0,0|2,0,1]=4 147 B7R1.3 Cc1ccncc1 TS02242 [1,0,0,0,0,0|1,0,1]=3 148 B7R1.3 Cc1ccncn1 TS71236 [1,0,0,0,0,0|2,0,1]=4 149 B7R1.3 Cc1ccnnc1 TS03181 [1,0,0,0,0,0|2,0,1]=4 150 B7R1.3 Cc1cnccn1 TS02445 [1,0,0,0,0,0|2,0,1]=4 151 B7R1.3 Cc1cncnc1 TS01164 [1,0,0,0,0,0|2,0,1]=4 152 B7R1.3 Cc1ncccn1 TS59978 [1,0,0,0,0,0|2,0,1]=4 153 B7R1.3 [Li]c1ccccc1 TS03475 [1,0,0,0,0,0|1,0,0]=2 154 B7R1.3 c1c(cncn1)Br TS09816 [1,0,0,0,0,0|3,0,0]=4 155 B7R1.3 c1c(cncn1)Cl TS71524 [1,0,0,0,0,0|3,0,0]=4 156 B7R1.3 c1c(cncn1)F TS71551 [1,0,0,0,0,0|3,0,0]=4 157 B7R1.3 c1c(cncn1)N TS71385 [1,0,0,0,0,0|3,0,0]=4 158 B7R1.3 c1c(cncn1)O TS03344 [1,0,0,0,0,0|2,0,1]=4 159 B7R1.3 c1cc(cnc1)Br TS09497 [1,0,0,0,0,0|2,0,0]=3 160 B7R1.3 c1cc(cnc1)Cl TS66010 [1,0,0,0,0,0|2,0,0]=3 161 B7R1.3 c1cc(cnc1)F TS02768 [1,0,0,0,0,0|2,0,0]=3 162 B7R1.3 c1cc(cnc1)I TS70634 [1,0,0,0,0,0|2,0,0]=3 163 B7R1.3 c1cc(cnc1)N TS02672 [1,0,0,0,0,0|2,0,0]=3 164 B7R1.3 c1cc(cnc1)O TS32269 [1,0,0,0,0,0|1,0,1]=3 165 B7R1.3 c1cc(nnc1)Cl TS66009 [1,0,0,0,0,0|3,0,0]=4 166 B7R1.3 c1cc(nnc1)Cl TS91704 [1,0,0,0,0,0|3,0,0]=4 167 B7R1.3 c1cc(nnc1)N TS02670 [1,0,0,0,0,0|3,0,0]=4 168 B7R1.3 c1cc(nnc1)N TS02671 [1,0,0,0,0,0|3,0,0]=4 169 B7R1.3 c1cc(nnc1)O TS91073 [1,0,0,0,0,0|2,0,1]=4 170 B7R1.3 c1cc[n+](cc1)F TS15405 [1,0,0,0,0,0|2,0,0]=3 171 B7R1.3 c1cc[n+](cc1)N TS50044 [1,0,0,0,0,0|2,0,0]=3 172 B7R1.3 c1ccc(cc1)Br TS33230 [1,0,0,0,0,0|1,0,0]=2 173 B7R1.3 c1ccc(cc1)Cl TS39829 [1,0,0,0,0,0|1,0,0]=2 174 B7R1.3 c1ccc(cc1)F TS03718 [1,0,0,0,0,0|1,0,0]=2 175 B7R1.3 c1ccc(cc1)I TS01502 [1,0,0,0,0,0|1,0,0]=2 176 B7R1.3 c1ccc(cc1)I TS09193 [1,0,0,0,0,0|1,0,0]=2 177 B7R1.3 c1ccc(cc1)N TS05506 [1,0,0,0,0,0|1,0,0]=2 178 B7R1.3 c1ccc(cc1)N TS17238 [1,0,0,0,0,0|1,0,0]=2 179 B7R1.3 c1ccc(cc1)N TS31115 [1,0,0,0,0,0|1,0,0]=2 180 B7R1.3 c1ccc(cc1)N TS45718 [1,0,0,0,0,0|1,0,0]=2 181 B7R1.3 c1ccc(cc1)N TS50550 [1,0,0,0,0,0|1,0,0]=2 182 B7R1.3 c1ccc(cc1)N TS71877 [1,0,0,0,0,0|1,0,0]=2 183 B7R1.3 c1ccc(cc1)O TS03667 [1,0,0,0,0,0|0,0,1]=2 184 B7R1.3 c1ccc(cc1)P TS04186 [1,0,0,0,0,0|1,0,0]=2 185 B7R1.3 c1ccc(cc1)S TS04213 [1,0,0,0,0,0|0,1,0]=2 186 B7R1.3 c1ccc(cc1)[AsH2] TS10367 [1,0,0,0,0,0|1,0,0]=2 187 B7R1.3 c1ccc(cc1)[O-] TS31486 [1,0,0,0,0,0|0,0,1]=2 188 B7R1.3 c1ccc(cc1)[O-] TS45086 [1,0,0,0,0,0|0,0,1]=2 189 B7R1.3 c1ccc(cc1)[S-] TS13286 [1,0,0,0,0,0|0,1,0]=2 190 B7R1.3 c1ccc(cc1)[S-] TS36665 [1,0,0,0,0,0|0,1,0]=2 191 B7R1.3 c1ccc(cc1)[SiH3] TS04151 [1,0,0,0,0,0|0,1,0]=2 192 B7R1.3 c1ccc(cc1)[Zn+] TS23551 [1,0,0,0,0,0|1,0,0]=2 193 B7R1.3 c1ccn(=O)cc1 TS60161 [1,0,0,0,0,0|1,0,0]=2 194 B7R1.3 c1ccnc(c1)Cl TS02148 [1,0,0,0,0,0|2,0,0]=3 195 B7R1.3 c1ccnc(c1)F TS60290 [1,0,0,0,0,0|2,0,0]=3 196 B7R1.3 c1ccnc(c1)I TS01085 [1,0,0,0,0,0|2,0,0]=3 197 B7R1.3 c1ccnc(c1)N TS03671 [1,0,0,0,0,0|2,0,0]=3 198 B7R1.3 c1ccnc(c1)O TS03693 [1,0,0,0,0,0|1,0,1]=3 199 B7R1.3 c1ccnc(c1)S TS31885 [1,0,0,0,0,0|1,1,0]=3 200 B7R1.3 c1ccnc(c1)[Zn+] TS50356 [1,0,0,0,0,0|2,0,0]=3 201 B7R1.3 c1ccoc(=O)c1 TS03711 [1,0,0,0,0,0|1,0,0]=2 202 B7R1.3 c1cn(=O)ccn1 TS03715 [1,0,0,0,0,0|2,0,0]=3 203 B7R1.3 c1cnc(cn1)Br TS00861 [1,0,0,0,0,0|3,0,0]=4 204 B7R1.3 c1cnc(cn1)Cl TS00954 [1,0,0,0,0,0|3,0,0]=4 205 B7R1.3 c1cnc(cn1)F TS01036 [1,0,0,0,0,0|3,0,0]=4 206 B7R1.3 c1cnc(cn1)N TS00818 [1,0,0,0,0,0|3,0,0]=4 207 B7R1.3 c1cnc(cn1)O TS55403 [1,0,0,0,0,0|2,0,1]=4 208 B7R1.3 c1cnc(cn1)S TS04306 [1,0,0,0,0,0|2,1,0]=4 209 B7R1.3 c1cnc(nc1)Br TS00866 [1,0,0,0,0,0|3,0,0]=4 210 B7R1.3 c1cnc(nc1)Cl TS00959 [1,0,0,0,0,0|3,0,0]=4 211 B7R1.3 c1cnc(nc1)Cl TS00963 [1,0,0,0,0,0|3,0,0]=4 212 B7R1.3 c1cnc(nc1)I TS38910 [1,0,0,0,0,0|3,0,0]=4 213 B7R1.3 c1cnc(nc1)N TS00821 [1,0,0,0,0,0|3,0,0]=4 214 B7R1.3 c1cnc(nc1)O TS13789 [1,0,0,0,0,0|2,0,1]=4 215 B7R1.3 c1cnc(nc1)O TS55405 [1,0,0,0,0,0|2,0,1]=4 216 B7R1.3 c1cnc(nc1)O TS55406 [1,0,0,0,0,0|2,0,1]=4 217 B7R1.3 c1cnc(nc1)S TS55424 [1,0,0,0,0,0|2,1,0]=4 218 B7R1.3 c1cnccc1Br TS57179 [1,0,0,0,0,0|2,0,0]=3 219 B7R1.3 c1cnccc1Cl TS09693 [1,0,0,0,0,0|2,0,0]=3 220 B7R1.3 c1cnccc1I TS09722 [1,0,0,0,0,0|2,0,0]=3 221 B7R1.3 c1cnccc1N TS70921 [1,0,0,0,0,0|2,0,0]=3 222 B7R1.3 c1cnccc1O TS87252 [1,0,0,0,0,0|1,0,1]=3 223 B7R1.3 c1cnccc1S TS31884 [1,0,0,0,0,0|1,1,0]=3 224 B7R1.3 c1cncnc1Br TS09614 [1,0,0,0,0,0|3,0,0]=4 225 B7R1.3 c1cncnc1Cl TS71077 [1,0,0,0,0,0|3,0,0]=4 226 B7R1.3 c1cncnc1Cl TS86366 [1,0,0,0,0,0|3,0,0]=4 227 B7R1.3 c1cncnc1N TS70922 [1,0,0,0,0,0|3,0,0]=4 228 B7R1.3 c1cncnc1O TS03137 [1,0,0,0,0,0|2,0,1]=4 229 B7R1.3 c1cncnc1O TS15021 [1,0,0,0,0,0|2,0,1]=4 230 B7R1.3 c1cncnc1O TS16881 [1,0,0,0,0,0|2,0,1]=4 231 B7R1.3 c1cnncc1Br TS59608 [1,0,0,0,0,0|3,0,0]=4 232 B7R1.3 c1cnncc1N TS70920 [1,0,0,0,0,0|3,0,0]=4 233 B7R1.3 c1cnncc1N TS92859 [1,0,0,0,0,0|3,0,0]=4 234 B7R1.3 c1cnncc1O TS03136 [1,0,0,0,0,0|2,0,1]=4 235 B7R1.3 c1coccc1=O TS39928 [1,0,0,0,0,0|1,0,0]=2 236 B9R1.1 C#Cc1ccc(cc1)Br TS39997 [0,1,0,0,0,0|1,0,1]=3 237 B9R1.1 C#Cc1ccc(cc1)Cl TS46931 [0,1,0,0,0,0|1,0,1]=3 238 B9R1.1 C#Cc1ccc(cc1)F TS07664 [0,1,0,0,0,0|1,0,1]=3 239 B9R1.1 C#Cc1ccc(cc1)N TS04675 [0,1,0,0,0,0|1,0,1]=3 240 B9R1.1 C#Cc1ccc(cc1)O TS71112 [0,1,0,0,0,0|1,0,1]=3 241 B9R1.1 C#Cc1ccc(cn1)Br TS14869 [0,1,0,0,0,0|2,0,1]=4 242 B9R1.1 C#Cc1ccc(cn1)F TS04857 [0,1,0,0,0,0|2,0,1]=4 243 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [0,1,0,0,0,0|1,0,0]=2 244 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [0,1,0,0,0,0|1,0,0]=2 245 B9R1.1 C=Cc1ccc(cc1)F TS32505 [0,1,0,0,0,0|1,0,0]=2 246 B9R1.1 C=Cc1ccc(cc1)N TS04791 [0,1,0,0,0,0|1,0,0]=2 247 B9R1.1 C=Cc1ccc(cc1)O TS71308 [0,1,0,0,0,0|1,0,0]=2 248 B9R1.1 CCc1ccc(cc1)Br TS01944 [0,1,0,0,0,0|1,0,1]=3 249 B9R1.1 CCc1ccc(cc1)Cl TS37449 [0,1,0,0,0,0|1,0,1]=3 250 B9R1.1 CCc1ccc(cc1)F TS05030 [0,1,0,0,0,0|1,0,1]=3 251 B9R1.1 CCc1ccc(cc1)I TS25158 [0,1,0,0,0,0|1,0,1]=3 252 B9R1.1 CCc1ccc(cc1)N TS04870 [0,1,0,0,0,0|1,0,1]=3 253 B9R1.1 CCc1ccc(cc1)O TS04905 [0,1,0,0,0,0|1,0,1]=3 254 B9R1.1 CCc1ccc(cc1)S TS06298 [0,1,0,0,0,0|1,0,1]=3 255 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [0,1,0,0,0,0|1,0,1]=3 256 B9R1.1 CCc1ccc(nc1)C TS32477 [0,1,0,0,0,0|2,0,1]=4 257 B9R1.1 CCc1ccc(nc1)O TS04959 [0,1,0,0,0,0|2,0,1]=4 258 B9R1.1 CNc1ccc(cc1)Br TS48830 [0,1,0,0,0,0|2,0,0]=3 259 B9R1.1 CNc1ccc(cc1)Cl TS37534 [0,1,0,0,0,0|2,0,0]=3 260 B9R1.1 CNc1ccc(cc1)F TS36055 [0,1,0,0,0,0|2,0,0]=3 261 B9R1.1 CNc1ccc(cc1)I TS32640 [0,1,0,0,0,0|2,0,0]=3 262 B9R1.1 CNc1ccc(cc1)N TS04921 [0,1,0,0,0,0|2,0,0]=3 263 B9R1.1 CNc1ccc(cc1)N TS17998 [0,1,0,0,0,0|2,0,0]=3 264 B9R1.1 CNc1ccc(cc1)O TS04963 [0,1,0,0,0,0|2,0,0]=3 265 B9R1.1 CNc1ccc(cc1)O TS78698 [0,1,0,0,0,0|2,0,0]=3 266 B9R1.1 CNc1ccc(nc1)Br TS49023 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.1 COc1ccc(cc1)Cl TS37682 [0,1,0,0,0,0|2,0,0]=3 268 B9R1.1 COc1ccc(cc1)F TS32969 [0,1,0,0,0,0|2,0,0]=3 269 B9R1.1 COc1ccc(cc1)I TS59516 [0,1,0,0,0,0|2,0,0]=3 270 B9R1.1 COc1ccc(cc1)N TS01634 [0,1,0,0,0,0|2,0,0]=3 271 B9R1.1 COc1ccc(cc1)N TS11193 [0,1,0,0,0,0|2,0,0]=3 272 B9R1.1 COc1ccc(cc1)N TS93025 [0,1,0,0,0,0|2,0,0]=3 273 B9R1.1 COc1ccc(cc1)O TS02083 [0,1,0,0,0,0|2,0,0]=3 274 B9R1.1 COc1ccc(cc1)S TS06486 [0,1,0,0,0,0|2,0,0]=3 275 B9R1.1 COc1ccc(cc1)[Zn+] TS74539 [0,1,0,0,0,0|2,0,0]=3 276 B9R1.1 COc1ccc(cn1)Br TS09790 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.1 COc1ccc(cn1)Cl TS71503 [0,1,0,0,0,0|3,0,0]=4 278 B9R1.1 COc1ccc(cn1)F TS71544 [0,1,0,0,0,0|3,0,0]=4 279 B9R1.1 COc1ccc(cn1)I TS01075 [0,1,0,0,0,0|3,0,0]=4 280 B9R1.1 COc1ccc(cn1)N TS05017 [0,1,0,0,0,0|3,0,0]=4 281 B9R1.1 COc1ccc(cn1)O TS71568 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.1 COc1ccc(nc1)Br TS08354 [0,1,0,0,0,0|3,0,0]=4 283 B9R1.1 COc1ccc(nc1)Cl TS00910 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.1 COc1ccc(nc1)N TS47440 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.1 COc1ccn(=O)cc1 TS71219 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.1 CSc1ccc(cc1)Br TS09618 [0,1,0,0,0,0|2,0,0]=3 287 B9R1.1 CSc1ccc(cc1)Cl TS42001 [0,1,0,0,0,0|2,0,0]=3 288 B9R1.1 CSc1ccc(cc1)F TS06687 [0,1,0,0,0,0|2,0,0]=3 289 B9R1.1 CSc1ccc(cc1)I TS27986 [0,1,0,0,0,0|2,0,0]=3 290 B9R1.1 CSc1ccc(cc1)N TS06394 [0,1,0,0,0,0|2,0,0]=3 291 B9R1.1 CSc1ccc(cc1)O TS37396 [0,1,0,0,0,0|2,0,0]=3 292 B9R1.1 CSc1ccc(cc1)S TS41710 [0,1,0,0,0,0|2,0,0]=3 293 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [0,1,0,0,0,0|2,0,0]=3 294 B9R1.1 CSc1ccc(cn1)Br TS71433 [0,1,0,0,0,0|3,0,0]=4 295 B9R1.1 CSc1ccc(nc1)N TS37399 [0,1,0,0,0,0|3,0,0]=4 296 B9R1.1 C[n+]1ccc(cc1)C#N TS62240 [0,1,0,0,0,0|2,0,1]=4 297 B9R1.1 Cc1ccc(cc1)C#C TS32874 [0,1,0,0,0,0|1,0,1]=3 298 B9R1.1 Cc1ccc(cc1)C#N TS04679 [0,1,0,0,0,0|1,0,1]=3 299 B9R1.1 Cc1ccc(cc1)C=C TS71237 [0,1,0,0,0,0|1,0,0]=2 300 B9R1.1 Cc1ccc(cc1)C=O TS09079 [0,1,0,0,0,0|0,0,0]=1 301 B9R1.1 Cc1ccc(cc1)CBr TS03170 [0,1,0,0,0,0|1,0,1]=3 302 B9R1.1 Cc1ccc(cc1)CCl TS37455 [0,1,0,0,0,0|1,0,1]=3 303 B9R1.1 Cc1ccc(cc1)CN TS32473 [0,1,0,0,0,0|1,0,1]=3 304 B9R1.1 Cc1ccc(cc1)CO TS04902 [0,1,0,0,0,0|0,0,2]=3 305 B9R1.1 Cc1ccc(cc1)CS TS06300 [0,1,0,0,0,0|0,1,1]=3 306 B9R1.1 Cc1ccc(cc1)NC TS32470 [0,1,0,0,0,0|2,0,0]=3 307 B9R1.1 Cc1ccc(cc1)NN TS01655 [0,1,0,0,0,0|2,0,0]=3 308 B9R1.1 Cc1ccc(cc1)NN TS23082 [0,1,0,0,0,0|2,0,0]=3 309 B9R1.1 Cc1ccc(cc1)OC TS04894 [0,1,0,0,0,0|2,0,0]=3 310 B9R1.1 Cc1ccc(cc1)SC TS71244 [0,1,0,0,0,0|2,0,0]=3 311 B9R1.1 Cc1ccc(cc1)[Hg]Cl TS77673 [0,1,0,0,0,0|2,0,0]=3 312 B9R1.1 Cc1ccc(cc1)[Mg]Cl TS40955 [0,1,0,0,0,0|2,0,0]=3 313 B9R1.1 Cc1ccc(cn1)C#N TS03281 [0,1,0,0,0,0|2,0,1]=4 314 B9R1.1 Cc1ccc(cn1)C=C TS55464 [0,1,0,0,0,0|2,0,0]=3 315 B9R1.1 Cc1ccc(cn1)C=O TS01266 [0,1,0,0,0,0|1,0,0]=2 316 B9R1.1 Cc1ccc(cn1)CN TS88042 [0,1,0,0,0,0|2,0,1]=4 317 B9R1.1 Cc1ccc(cn1)NN TS32994 [0,1,0,0,0,0|3,0,0]=4 318 B9R1.1 Cc1ccc(cn1)NN TS94799 [0,1,0,0,0,0|3,0,0]=4 319 B9R1.1 Cc1ccc(cn1)OC TS04979 [0,1,0,0,0,0|3,0,0]=4 320 B9R1.1 Cc1ccc(nc1)C#N TS55297 [0,1,0,0,0,0|2,0,1]=4 321 B9R1.1 Cc1ccc(nc1)C=O TS01160 [0,1,0,0,0,0|1,0,0]=2 322 B9R1.1 Cc1ccc(nc1)CN TS08057 [0,1,0,0,0,0|2,0,1]=4 323 B9R1.1 Cc1cnc(cn1)C=C TS04818 [0,1,0,0,0,0|3,0,0]=4 324 B9R1.1 Cc1cnc(cn1)C=O TS88939 [0,1,0,0,0,0|2,0,0]=3 325 B9R1.1 Cc1cnc(nc1)C=O TS90871 [0,1,0,0,0,0|2,0,0]=3 326 B9R1.1 Cc1ncc(cn1)C=O TS08763 [0,1,0,0,0,0|2,0,0]=3 327 B9R1.1 [C-]#[N+]c1ccc(cc1)Br TS14866 [0,1,0,0,0,0|2,0,0]=3 328 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl TS37137 [0,1,0,0,0,0|2,0,0]=3 329 B9R1.1 [C-]#[N+]c1ccc(cc1)F TS04858 [0,1,0,0,0,0|2,0,0]=3 330 B9R1.1 c1c(cnc(n1)C=O)Cl TS88591 [0,1,0,0,0,0|2,0,0]=3 331 B9R1.1 c1c(cnc(n1)C=O)F TS89712 [0,1,0,0,0,0|2,0,0]=3 332 B9R1.1 c1c(cnc(n1)Cl)C=O TS90869 [0,1,0,0,0,0|2,0,0]=3 333 B9R1.1 c1c(cnc(n1)N)C=O TS47453 [0,1,0,0,0,0|2,0,0]=3 334 B9R1.1 c1c(ncc(n1)Cl)C=O TS88126 [0,1,0,0,0,0|2,0,0]=3 335 B9R1.1 c1cc(=O)[nH]cc1CN TS71378 [0,1,0,0,0,0|2,0,1]=4 336 B9R1.1 c1cc(=O)[nH]cc1CO TS03336 [0,1,0,0,0,0|1,0,2]=4 337 B9R1.1 c1cc(ccc1C#N)Br TS09595 [0,1,0,0,0,0|1,0,1]=3 338 B9R1.1 c1cc(ccc1C#N)Cl TS33152 [0,1,0,0,0,0|1,0,1]=3 339 B9R1.1 c1cc(ccc1C#N)F TS93132 [0,1,0,0,0,0|1,0,1]=3 340 B9R1.1 c1cc(ccc1C#N)I TS09717 [0,1,0,0,0,0|1,0,1]=3 341 B9R1.1 c1cc(ccc1C#N)N TS70912 [0,1,0,0,0,0|1,0,1]=3 342 B9R1.1 c1cc(ccc1C#N)O TS03063 [0,1,0,0,0,0|1,0,1]=3 343 B9R1.1 c1cc(ccc1C#N)S TS03071 [0,1,0,0,0,0|1,0,1]=3 344 B9R1.1 c1cc(ccc1C#N)[Zn+] TS27647 [0,1,0,0,0,0|1,0,1]=3 345 B9R1.1 c1cc(ccc1C=O)Br TS09589 [0,1,0,0,0,0|0,0,0]=1 346 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [0,1,0,0,0,0|0,0,0]=1 347 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [0,1,0,0,0,0|0,0,0]=1 348 B9R1.1 c1cc(ccc1C=O)F TS03079 [0,1,0,0,0,0|0,0,0]=1 349 B9R1.1 c1cc(ccc1C=O)I TS71194 [0,1,0,0,0,0|0,0,0]=1 350 B9R1.1 c1cc(ccc1C=O)N TS08868 [0,1,0,0,0,0|0,0,0]=1 351 B9R1.1 c1cc(ccc1C=O)O TS01630 [0,1,0,0,0,0|0,0,0]=1 352 B9R1.1 c1cc(ccc1C=O)O TS42180 [0,1,0,0,0,0|0,0,0]=1 353 B9R1.1 c1cc(ccc1CBr)Br TS09598 [0,1,0,0,0,0|1,0,1]=3 354 B9R1.1 c1cc(ccc1CBr)Cl TS46748 [0,1,0,0,0,0|1,0,1]=3 355 B9R1.1 c1cc(ccc1CBr)F TS03088 [0,1,0,0,0,0|1,0,1]=3 356 B9R1.1 c1cc(ccc1CBr)I TS09718 [0,1,0,0,0,0|1,0,1]=3 357 B9R1.1 c1cc(ccc1CBr)O TS16899 [0,1,0,0,0,0|1,0,1]=3 358 B9R1.1 c1cc(ccc1CCl)Br TS16774 [0,1,0,0,0,0|1,0,1]=3 359 B9R1.1 c1cc(ccc1CCl)Cl TS39591 [0,1,0,0,0,0|1,0,1]=3 360 B9R1.1 c1cc(ccc1CCl)F TS07044 [0,1,0,0,0,0|1,0,1]=3 361 B9R1.1 c1cc(ccc1CN)Br TS09597 [0,1,0,0,0,0|1,0,1]=3 362 B9R1.1 c1cc(ccc1CN)Br TS60052 [0,1,0,0,0,0|1,0,1]=3 363 B9R1.1 c1cc(ccc1CN)Cl TS33154 [0,1,0,0,0,0|1,0,1]=3 364 B9R1.1 c1cc(ccc1CN)Cl TS71062 [0,1,0,0,0,0|1,0,1]=3 365 B9R1.1 c1cc(ccc1CN)F TS03087 [0,1,0,0,0,0|1,0,1]=3 366 B9R1.1 c1cc(ccc1CN)F TS42359 [0,1,0,0,0,0|1,0,1]=3 367 B9R1.1 c1cc(ccc1CN)I TS07803 [0,1,0,0,0,0|1,0,1]=3 368 B9R1.1 c1cc(ccc1CN)I TS73917 [0,1,0,0,0,0|1,0,1]=3 369 B9R1.1 c1cc(ccc1CN)N TS32510 [0,1,0,0,0,0|1,0,1]=3 370 B9R1.1 c1cc(ccc1CN)O TS38524 [0,1,0,0,0,0|1,0,1]=3 371 B9R1.1 c1cc(ccc1CN)O TS71170 [0,1,0,0,0,0|1,0,1]=3 372 B9R1.1 c1cc(ccc1CO)Br TS16773 [0,1,0,0,0,0|0,0,2]=3 373 B9R1.1 c1cc(ccc1CO)Cl TS37684 [0,1,0,0,0,0|0,0,2]=3 374 B9R1.1 c1cc(ccc1CO)F TS36109 [0,1,0,0,0,0|0,0,2]=3 375 B9R1.1 c1cc(ccc1CO)I TS02234 [0,1,0,0,0,0|0,0,2]=3 376 B9R1.1 c1cc(ccc1CO)N TS70914 [0,1,0,0,0,0|0,0,2]=3 377 B9R1.1 c1cc(ccc1CO)O TS46479 [0,1,0,0,0,0|0,0,2]=3 378 B9R1.1 c1cc(ccc1CO)S TS37388 [0,1,0,0,0,0|0,0,2]=3 379 B9R1.1 c1cc(ccc1CS)Br TS19522 [0,1,0,0,0,0|0,1,1]=3 380 B9R1.1 c1cc(ccc1CS)Cl TS42005 [0,1,0,0,0,0|0,1,1]=3 381 B9R1.1 c1cc(ccc1CS)F TS06684 [0,1,0,0,0,0|0,1,1]=3 382 B9R1.1 c1cc(ccc1C[Zn+])Br TS76764 [0,1,0,0,0,0|1,0,1]=3 383 B9R1.1 c1cc(ccc1F)[Mg]Br TS16672 [0,1,0,0,0,0|2,0,0]=3 384 B9R1.1 c1cc(ccc1N=O)O TS32551 [0,1,0,0,0,0|1,0,0]=2 385 B9R1.1 c1cc(ccc1NN)Br TS50374 [0,1,0,0,0,0|2,0,0]=3 386 B9R1.1 c1cc(ccc1NN)Cl TS06801 [0,1,0,0,0,0|2,0,0]=3 387 B9R1.1 c1cc(ccc1NN)Cl TS67272 [0,1,0,0,0,0|2,0,0]=3 388 B9R1.1 c1cc(ccc1NN)I TS53552 [0,1,0,0,0,0|2,0,0]=3 389 B9R1.1 c1cc(ccc1[Mg]Br)Cl TS21953 [0,1,0,0,0,0|2,0,0]=3 390 B9R1.1 c1cc(ccc1[Mg]Cl)Cl TS45365 [0,1,0,0,0,0|2,0,0]=3 391 B9R1.1 c1cc(ccc1[N+]#N)Br TS30906 [0,1,0,0,0,0|2,0,0]=3 392 B9R1.1 c1cc(ncc1Br)C#N TS71416 [0,1,0,0,0,0|2,0,1]=4 393 B9R1.1 c1cc(ncc1Br)C=O TS71427 [0,1,0,0,0,0|1,0,0]=2 394 B9R1.1 c1cc(ncc1Br)CO TS71442 [0,1,0,0,0,0|1,0,2]=4 395 B9R1.1 c1cc(ncc1Br)NN TS71429 [0,1,0,0,0,0|3,0,0]=4 396 B9R1.1 c1cc(ncc1C#N)Br TS55125 [0,1,0,0,0,0|2,0,1]=4 397 B9R1.1 c1cc(ncc1C#N)Cl TS55237 [0,1,0,0,0,0|2,0,1]=4 398 B9R1.1 c1cc(ncc1C#N)F TS04893 [0,1,0,0,0,0|2,0,1]=4 399 B9R1.1 c1cc(ncc1C#N)O TS39788 [0,1,0,0,0,0|2,0,1]=4 400 B9R1.1 c1cc(ncc1C=O)Br TS16478 [0,1,0,0,0,0|1,0,0]=2 401 B9R1.1 c1cc(ncc1C=O)Cl TS85443 [0,1,0,0,0,0|1,0,0]=2 402 B9R1.1 c1cc(ncc1C=O)F TS01040 [0,1,0,0,0,0|1,0,0]=2 403 B9R1.1 c1cc(ncc1C=O)N TS87752 [0,1,0,0,0,0|1,0,0]=2 404 B9R1.1 c1cc(ncc1C=O)O TS55611 [0,1,0,0,0,0|1,0,0]=2 405 B9R1.1 c1cc(ncc1CBr)Cl TS71318 [0,1,0,0,0,0|2,0,1]=4 406 B9R1.1 c1cc(ncc1CBr)F TS90058 [0,1,0,0,0,0|2,0,1]=4 407 B9R1.1 c1cc(ncc1CCl)Cl TS47256 [0,1,0,0,0,0|2,0,1]=4 408 B9R1.1 c1cc(ncc1CCl)F TS86320 [0,1,0,0,0,0|2,0,1]=4 409 B9R1.1 c1cc(ncc1CN)Cl TS71379 [0,1,0,0,0,0|2,0,1]=4 410 B9R1.1 c1cc(ncc1CN)F TS87785 [0,1,0,0,0,0|2,0,1]=4 411 B9R1.1 c1cc(ncc1CO)Br TS22929 [0,1,0,0,0,0|1,0,2]=4 412 B9R1.1 c1cc(ncc1CO)Cl TS55248 [0,1,0,0,0,0|1,0,2]=4 413 B9R1.1 c1cc(ncc1CO)F TS85126 [0,1,0,0,0,0|1,0,2]=4 414 B9R1.1 c1cc(ncc1CO)N TS46564 [0,1,0,0,0,0|1,0,2]=4 415 B9R1.1 c1cc(ncc1Cl)C#N TS09833 [0,1,0,0,0,0|2,0,1]=4 416 B9R1.1 c1cc(ncc1Cl)C=O TS71489 [0,1,0,0,0,0|1,0,0]=2 417 B9R1.1 c1cc(ncc1Cl)CCl TS87444 [0,1,0,0,0,0|2,0,1]=4 418 B9R1.1 c1cc(ncc1F)C=O TS60090 [0,1,0,0,0,0|1,0,0]=2 419 B9R1.1 c1cc(ncc1F)CO TS88541 [0,1,0,0,0,0|1,0,2]=4 420 B9R1.1 c1cc(ncc1N)C#N TS65869 [0,1,0,0,0,0|2,0,1]=4 421 B9R1.1 c1cc(ncc1N)CN TS32573 [0,1,0,0,0,0|2,0,1]=4 422 B9R1.1 c1cc(ncc1O)C#N TS55294 [0,1,0,0,0,0|2,0,1]=4 423 B9R1.1 c1cc(ncc1O)C=O TS03343 [0,1,0,0,0,0|1,0,0]=2 424 B9R1.1 c1cc(nnc1C=O)Cl TS86321 [0,1,0,0,0,0|2,0,0]=3 425 B9R1.1 c1cn(=O)ccc1C#N TS32414 [0,1,0,0,0,0|2,0,1]=4 426 B9R1.1 c1cn(=O)ccc1C=O TS32549 [0,1,0,0,0,0|1,0,0]=2 427 B9R1.1 c1cn(=O)ccc1CO TS59701 [0,1,0,0,0,0|1,0,2]=4 428 B9R1.2 C#Cc1cc(cnc1)Cl TS37136 [0,1,0,0,0,0|2,0,1]=4 429 B9R1.2 C#Cc1cccc(c1)Br TS65960 [0,1,0,0,0,0|1,0,1]=3 430 B9R1.2 C#Cc1cccc(c1)Cl TS02032 [0,1,0,0,0,0|1,0,1]=3 431 B9R1.2 C#Cc1cccc(c1)F TS70602 [0,1,0,0,0,0|1,0,1]=3 432 B9R1.2 C#Cc1cccc(c1)N TS02665 [0,1,0,0,0,0|1,0,1]=3 433 B9R1.2 C#Cc1cccc(c1)O TS32329 [0,1,0,0,0,0|1,0,1]=3 434 B9R1.2 C=Cc1cc(cnc1)Br TS48517 [0,1,0,0,0,0|2,0,0]=3 435 B9R1.2 C=Cc1cccc(c1)Br TS48377 [0,1,0,0,0,0|1,0,0]=2 436 B9R1.2 C=Cc1cccc(c1)Cl TS37252 [0,1,0,0,0,0|1,0,0]=2 437 B9R1.2 C=Cc1cccc(c1)F TS32503 [0,1,0,0,0,0|1,0,0]=2 438 B9R1.2 C=Cc1cccc(c1)N TS04792 [0,1,0,0,0,0|1,0,0]=2 439 B9R1.2 CC[n+]1cccc(c1)O TS38523 [0,1,0,0,0,0|2,0,1]=4 440 B9R1.2 CCc1cc(cnc1)Br TS91617 [0,1,0,0,0,0|2,0,1]=4 441 B9R1.2 CCc1cccc(c1)Br TS32764 [0,1,0,0,0,0|1,0,1]=3 442 B9R1.2 CCc1cccc(c1)C TS04835 [0,1,0,0,0,0|1,0,1]=3 443 B9R1.2 CCc1cccc(c1)N TS32463 [0,1,0,0,0,0|1,0,1]=3 444 B9R1.2 CCc1cccc(c1)O TS04895 [0,1,0,0,0,0|1,0,1]=3 445 B9R1.2 CCc1cccc(n1)C TS32466 [0,1,0,0,0,0|2,0,1]=4 446 B9R1.2 CCc1cccc(n1)N TS60098 [0,1,0,0,0,0|2,0,1]=4 447 B9R1.2 CCc1ccnc(c1)Br TS48833 [0,1,0,0,0,0|2,0,1]=4 448 B9R1.2 CCc1ccnc(c1)C TS32469 [0,1,0,0,0,0|2,0,1]=4 449 B9R1.2 CCc1ccnc(c1)N TS71108 [0,1,0,0,0,0|2,0,1]=4 450 B9R1.2 CNc1cc(ccn1)Cl TS37689 [0,1,0,0,0,0|3,0,0]=4 451 B9R1.2 CNc1cccc(c1)Br TS48829 [0,1,0,0,0,0|2,0,0]=3 452 B9R1.2 CNc1cccc(c1)Cl TS37535 [0,1,0,0,0,0|2,0,0]=3 453 B9R1.2 CNc1cccc(c1)F TS70598 [0,1,0,0,0,0|2,0,0]=3 454 B9R1.2 CNc1cccc(n1)Cl TS94212 [0,1,0,0,0,0|3,0,0]=4 455 B9R1.2 COc1cc(ccn1)Cl TS03053 [0,1,0,0,0,0|3,0,0]=4 456 B9R1.2 COc1cc(ccn1)F TS05258 [0,1,0,0,0,0|3,0,0]=4 457 B9R1.2 COc1cc(ccn1)I TS71184 [0,1,0,0,0,0|3,0,0]=4 458 B9R1.2 COc1cc(ccn1)N TS02966 [0,1,0,0,0,0|3,0,0]=4 459 B9R1.2 COc1cc(cnc1)Br TS65932 [0,1,0,0,0,0|3,0,0]=4 460 B9R1.2 COc1cc(cnc1)Cl TS06905 [0,1,0,0,0,0|3,0,0]=4 461 B9R1.2 COc1cc(cnc1)I TS25666 [0,1,0,0,0,0|3,0,0]=4 462 B9R1.2 COc1cc(cnc1)N TS55470 [0,1,0,0,0,0|3,0,0]=4 463 B9R1.2 COc1cc(cnc1)N TS89352 [0,1,0,0,0,0|3,0,0]=4 464 B9R1.2 COc1cc(cnc1)O TS55469 [0,1,0,0,0,0|3,0,0]=4 465 B9R1.2 COc1cc[nH]c(=O)c1 TS71209 [0,1,0,0,0,0|3,0,0]=4 466 B9R1.2 COc1ccc[n+](c1)[O-] TS05090 [0,1,0,0,0,0|3,0,0]=4 467 B9R1.2 COc1cccc(c1)Br TS00028 [0,1,0,0,0,0|2,0,0]=3 468 B9R1.2 COc1cccc(c1)Cl TS37686 [0,1,0,0,0,0|2,0,0]=3 469 B9R1.2 COc1cccc(c1)F TS70591 [0,1,0,0,0,0|2,0,0]=3 470 B9R1.2 COc1cccc(c1)I TS39445 [0,1,0,0,0,0|2,0,0]=3 471 B9R1.2 COc1cccc(c1)N TS02081 [0,1,0,0,0,0|2,0,0]=3 472 B9R1.2 COc1cccc(c1)N TS11191 [0,1,0,0,0,0|2,0,0]=3 473 B9R1.2 COc1cccc(c1)O TS39714 [0,1,0,0,0,0|2,0,0]=3 474 B9R1.2 COc1cccc(c1)S TS70650 [0,1,0,0,0,0|2,0,0]=3 475 B9R1.2 COc1cccc(c1)[Zn+] TS74541 [0,1,0,0,0,0|2,0,0]=3 476 B9R1.2 COc1cccc(n1)Br TS08366 [0,1,0,0,0,0|3,0,0]=4 477 B9R1.2 COc1cccc(n1)Cl TS55270 [0,1,0,0,0,0|3,0,0]=4 478 B9R1.2 COc1cccc(n1)I TS56597 [0,1,0,0,0,0|3,0,0]=4 479 B9R1.2 COc1cccc(n1)O TS05074 [0,1,0,0,0,0|3,0,0]=4 480 B9R1.2 COc1ccnc(c1)Br TS08328 [0,1,0,0,0,0|3,0,0]=4 481 B9R1.2 COc1ccnc(c1)Cl TS55226 [0,1,0,0,0,0|3,0,0]=4 482 B9R1.2 COc1ccnc(c1)N TS47406 [0,1,0,0,0,0|3,0,0]=4 483 B9R1.2 CSc1cccc(c1)Br TS60340 [0,1,0,0,0,0|2,0,0]=3 484 B9R1.2 CSc1cccc(c1)Cl TS42003 [0,1,0,0,0,0|2,0,0]=3 485 B9R1.2 CSc1cccc(c1)F TS60012 [0,1,0,0,0,0|2,0,0]=3 486 B9R1.2 CSc1cccc(c1)I TS27987 [0,1,0,0,0,0|2,0,0]=3 487 B9R1.2 CSc1cccc(c1)N TS02674 [0,1,0,0,0,0|2,0,0]=3 488 B9R1.2 CSc1ccnc(c1)Cl TS11198 [0,1,0,0,0,0|3,0,0]=4 489 B9R1.2 Cc1cc(ccn1)C#N TS04726 [0,1,0,0,0,0|2,0,1]=4 490 B9R1.2 Cc1cc(ccn1)C=O TS02448 [0,1,0,0,0,0|1,0,0]=2 491 B9R1.2 Cc1cc(cnc1)C#N TS46458 [0,1,0,0,0,0|2,0,1]=4 492 B9R1.2 Cc1cc(cnc1)C=O TS01158 [0,1,0,0,0,0|1,0,0]=2 493 B9R1.2 Cc1cc(cnc1)CCl TS46377 [0,1,0,0,0,0|2,0,1]=4 494 B9R1.2 Cc1cc(cnc1)CO TS04972 [0,1,0,0,0,0|1,0,2]=4 495 B9R1.2 Cc1cc(cnc1)OC TS04960 [0,1,0,0,0,0|3,0,0]=4 496 B9R1.2 Cc1cccc(c1)C#C TS32229 [0,1,0,0,0,0|1,0,1]=3 497 B9R1.2 Cc1cccc(c1)C#N TS02843 [0,1,0,0,0,0|1,0,1]=3 498 B9R1.2 Cc1cccc(c1)C=C TS70680 [0,1,0,0,0,0|1,0,0]=2 499 B9R1.2 Cc1cccc(c1)CBr TS00037 [0,1,0,0,0,0|1,0,1]=3 500 B9R1.2 Cc1cccc(c1)CCl TS37460 [0,1,0,0,0,0|1,0,1]=3 501 B9R1.2 Cc1cccc(c1)CN TS04866 [0,1,0,0,0,0|1,0,1]=3 502 B9R1.2 Cc1cccc(c1)CO TS04903 [0,1,0,0,0,0|0,0,2]=3 503 B9R1.2 Cc1cccc(c1)CS TS06306 [0,1,0,0,0,0|0,1,1]=3 504 B9R1.2 Cc1cccc(c1)C[Zn+] TS38912 [0,1,0,0,0,0|1,0,1]=3 505 B9R1.2 Cc1cccc(c1)NC TS32467 [0,1,0,0,0,0|2,0,0]=3 506 B9R1.2 Cc1cccc(c1)NN TS04918 [0,1,0,0,0,0|2,0,0]=3 507 B9R1.2 Cc1cccc(c1)NN TS41997 [0,1,0,0,0,0|2,0,0]=3 508 B9R1.2 Cc1cccc(c1)OC TS32509 [0,1,0,0,0,0|2,0,0]=3 509 B9R1.2 Cc1cccc(c1)[Mg]Br TS52067 [0,1,0,0,0,0|2,0,0]=3 510 B9R1.2 Cc1cccc(c1)[Mg]Cl TS40952 [0,1,0,0,0,0|2,0,0]=3 511 B9R1.2 Cc1cccc(n1)C#N TS55295 [0,1,0,0,0,0|2,0,1]=4 512 B9R1.2 Cc1cccc(n1)C=C TS04794 [0,1,0,0,0,0|2,0,0]=3 513 B9R1.2 Cc1cccc(n1)C=O TS85261 [0,1,0,0,0,0|1,0,0]=2 514 B9R1.2 Cc1cccc(n1)CBr TS30360 [0,1,0,0,0,0|2,0,1]=4 515 B9R1.2 Cc1cccc(n1)CBr TS48832 [0,1,0,0,0,0|2,0,1]=4 516 B9R1.2 Cc1cccc(n1)CCl TS46378 [0,1,0,0,0,0|2,0,1]=4 517 B9R1.2 Cc1cccc(n1)CN TS01962 [0,1,0,0,0,0|2,0,1]=4 518 B9R1.2 Cc1cccc(n1)CO TS04961 [0,1,0,0,0,0|1,0,2]=4 519 B9R1.2 Cc1cccc(n1)OC TS00087 [0,1,0,0,0,0|3,0,0]=4 520 B9R1.2 Cc1ccnc(c1)C#N TS55293 [0,1,0,0,0,0|2,0,1]=4 521 B9R1.2 Cc1ccnc(c1)C=O TS03178 [0,1,0,0,0,0|1,0,0]=2 522 B9R1.2 Cc1ccnc(c1)CN TS04912 [0,1,0,0,0,0|2,0,1]=4 523 B9R1.2 Cc1ccnc(c1)OC TS04955 [0,1,0,0,0,0|3,0,0]=4 524 B9R1.2 Cc1ccnc(n1)C=O TS90032 [0,1,0,0,0,0|2,0,0]=3 525 B9R1.2 Cc1nccc(n1)C=O TS02450 [0,1,0,0,0,0|2,0,0]=3 526 B9R1.2 [C-]#[N+]c1cccc(c1)Br TS14867 [0,1,0,0,0,0|2,0,0]=3 527 B9R1.2 c1c(cncc1Br)C#N TS09810 [0,1,0,0,0,0|2,0,1]=4 528 B9R1.2 c1c(cncc1Br)C=O TS16988 [0,1,0,0,0,0|1,0,0]=2 529 B9R1.2 c1c(cncc1Br)CCl TS26941 [0,1,0,0,0,0|2,0,1]=4 530 B9R1.2 c1c(cncc1Br)CN TS49021 [0,1,0,0,0,0|2,0,1]=4 531 B9R1.2 c1c(cncc1Br)CO TS16995 [0,1,0,0,0,0|1,0,2]=4 532 B9R1.2 c1c(cncc1Cl)C#N TS08751 [0,1,0,0,0,0|2,0,1]=4 533 B9R1.2 c1c(cncc1Cl)C=O TS37528 [0,1,0,0,0,0|1,0,0]=2 534 B9R1.2 c1c(cncc1Cl)CCl TS91325 [0,1,0,0,0,0|2,0,1]=4 535 B9R1.2 c1c(cncc1Cl)CO TS08050 [0,1,0,0,0,0|1,0,2]=4 536 B9R1.2 c1c(cncc1F)C#N TS65166 [0,1,0,0,0,0|2,0,1]=4 537 B9R1.2 c1c(cncc1F)C=O TS03322 [0,1,0,0,0,0|1,0,0]=2 538 B9R1.2 c1c(cncc1F)CCl TS91777 [0,1,0,0,0,0|2,0,1]=4 539 B9R1.2 c1c(cncc1F)CN TS90364 [0,1,0,0,0,0|2,0,1]=4 540 B9R1.2 c1c(cncc1F)CO TS86069 [0,1,0,0,0,0|1,0,2]=4 541 B9R1.2 c1c(cncc1I)C=O TS25323 [0,1,0,0,0,0|1,0,0]=2 542 B9R1.2 c1c(cncc1I)CCl TS58052 [0,1,0,0,0,0|2,0,1]=4 543 B9R1.2 c1c(cncc1I)CO TS56598 [0,1,0,0,0,0|1,0,2]=4 544 B9R1.2 c1c(cncc1N)C#N TS04777 [0,1,0,0,0,0|2,0,1]=4 545 B9R1.2 c1c(cncc1N)CO TS32612 [0,1,0,0,0,0|1,0,2]=4 546 B9R1.2 c1c(nc(cn1)Cl)C=O TS87072 [0,1,0,0,0,0|2,0,0]=3 547 B9R1.2 c1c[nH]c(=O)cc1CN TS90761 [0,1,0,0,0,0|2,0,1]=4 548 B9R1.2 c1c[nH]c(=O)cc1CO TS90976 [0,1,0,0,0,0|1,0,2]=4 549 B9R1.2 c1cc(c[n+](c1)[O-])C#N TS32415 [0,1,0,0,0,0|2,0,1]=4 550 B9R1.2 c1cc(cc(c1)Br)C#N TS09482 [0,1,0,0,0,0|1,0,1]=3 551 B9R1.2 c1cc(cc(c1)Br)C=O TS09477 [0,1,0,0,0,0|0,0,0]=1 552 B9R1.2 c1cc(cc(c1)Br)CBr TS09487 [0,1,0,0,0,0|1,0,1]=3 553 B9R1.2 c1cc(cc(c1)Br)CCl TS09488 [0,1,0,0,0,0|1,0,1]=3 554 B9R1.2 c1cc(cc(c1)Br)CN TS09486 [0,1,0,0,0,0|1,0,1]=3 555 B9R1.2 c1cc(cc(c1)Br)CN TS23568 [0,1,0,0,0,0|1,0,1]=3 556 B9R1.2 c1cc(cc(c1)Br)CO TS09485 [0,1,0,0,0,0|0,0,2]=3 557 B9R1.2 c1cc(cc(c1)Br)CS TS19525 [0,1,0,0,0,0|0,1,1]=3 558 B9R1.2 c1cc(cc(c1)Br)NN TS65962 [0,1,0,0,0,0|2,0,0]=3 559 B9R1.2 c1cc(cc(c1)Cl)C#N TS00143 [0,1,0,0,0,0|1,0,1]=3 560 B9R1.2 c1cc(cc(c1)Cl)C=O TS00142 [0,1,0,0,0,0|0,0,0]=1 561 B9R1.2 c1cc(cc(c1)Cl)CBr TS02030 [0,1,0,0,0,0|1,0,1]=3 562 B9R1.2 c1cc(cc(c1)Cl)CCl TS01788 [0,1,0,0,0,0|1,0,1]=3 563 B9R1.2 c1cc(cc(c1)Cl)CN TS02029 [0,1,0,0,0,0|1,0,1]=3 564 B9R1.2 c1cc(cc(c1)Cl)CO TS02715 [0,1,0,0,0,0|0,0,2]=3 565 B9R1.2 c1cc(cc(c1)Cl)[Mg]Br TS21954 [0,1,0,0,0,0|2,0,0]=3 566 B9R1.2 c1cc(cc(c1)F)C#N TS70592 [0,1,0,0,0,0|1,0,1]=3 567 B9R1.2 c1cc(cc(c1)F)C=O TS16744 [0,1,0,0,0,0|0,0,0]=1 568 B9R1.2 c1cc(cc(c1)F)CBr TS70593 [0,1,0,0,0,0|1,0,1]=3 569 B9R1.2 c1cc(cc(c1)F)CCl TS70594 [0,1,0,0,0,0|1,0,1]=3 570 B9R1.2 c1cc(cc(c1)F)CN TS39435 [0,1,0,0,0,0|1,0,1]=3 571 B9R1.2 c1cc(cc(c1)F)CO TS39434 [0,1,0,0,0,0|0,0,2]=3 572 B9R1.2 c1cc(cc(c1)F)CS TS06688 [0,1,0,0,0,0|0,1,1]=3 573 B9R1.2 c1cc(cc(c1)I)C#N TS70628 [0,1,0,0,0,0|1,0,1]=3 574 B9R1.2 c1cc(cc(c1)I)C=O TS53246 [0,1,0,0,0,0|0,0,0]=1 575 B9R1.2 c1cc(cc(c1)I)CBr TS70629 [0,1,0,0,0,0|1,0,1]=3 576 B9R1.2 c1cc(cc(c1)I)CN TS53419 [0,1,0,0,0,0|1,0,1]=3 577 B9R1.2 c1cc(cc(c1)I)CN TS73918 [0,1,0,0,0,0|1,0,1]=3 578 B9R1.2 c1cc(cc(c1)I)CO TS53549 [0,1,0,0,0,0|0,0,2]=3 579 B9R1.2 c1cc(cc(c1)N)C#N TS65877 [0,1,0,0,0,0|1,0,1]=3 580 B9R1.2 c1cc(cc(c1)N)C=O TS04864 [0,1,0,0,0,0|0,0,0]=1 581 B9R1.2 c1cc(cc(c1)N)C=O TS10917 [0,1,0,0,0,0|0,0,0]=1 582 B9R1.2 c1cc(cc(c1)N)CN TS32516 [0,1,0,0,0,0|1,0,1]=3 583 B9R1.2 c1cc(cc(c1)N)CO TS59603 [0,1,0,0,0,0|0,0,2]=3 584 B9R1.2 c1cc(cc(c1)O)C#N TS02727 [0,1,0,0,0,0|1,0,1]=3 585 B9R1.2 c1cc(cc(c1)O)C=O TS70619 [0,1,0,0,0,0|0,0,0]=1 586 B9R1.2 c1cc(cc(c1)O)CBr TS49013 [0,1,0,0,0,0|1,0,1]=3 587 B9R1.2 c1cc(cc(c1)O)CCl TS37687 [0,1,0,0,0,0|1,0,1]=3 588 B9R1.2 c1cc(cc(c1)O)CO TS32602 [0,1,0,0,0,0|0,0,2]=3 589 B9R1.2 c1cc(cc(c1)[Mg]Br)F TS37776 [0,1,0,0,0,0|2,0,0]=3 590 B9R1.2 c1cc(cc(c1)[Zn+])C#N TS35725 [0,1,0,0,0,0|1,0,1]=3 591 B9R1.2 c1cc(cn(=O)c1)CO TS05088 [0,1,0,0,0,0|1,0,2]=4 592 B9R1.2 c1cc(nc(c1)Br)C#N TS32666 [0,1,0,0,0,0|2,0,1]=4 593 B9R1.2 c1cc(nc(c1)Br)C=O TS16476 [0,1,0,0,0,0|1,0,0]=2 594 B9R1.2 c1cc(nc(c1)Br)CBr TS28129 [0,1,0,0,0,0|2,0,1]=4 595 B9R1.2 c1cc(nc(c1)Br)CN TS49016 [0,1,0,0,0,0|2,0,1]=4 596 B9R1.2 c1cc(nc(c1)Br)CO TS55136 [0,1,0,0,0,0|1,0,2]=4 597 B9R1.2 c1cc(nc(c1)Br)NN TS50645 [0,1,0,0,0,0|3,0,0]=4 598 B9R1.2 c1cc(nc(c1)Cl)C#N TS00942 [0,1,0,0,0,0|2,0,1]=4 599 B9R1.2 c1cc(nc(c1)Cl)C=O TS55586 [0,1,0,0,0,0|1,0,0]=2 600 B9R1.2 c1cc(nc(c1)Cl)CBr TS39094 [0,1,0,0,0,0|2,0,1]=4 601 B9R1.2 c1cc(nc(c1)Cl)CO TS46565 [0,1,0,0,0,0|1,0,2]=4 602 B9R1.2 c1cc(nc(c1)Cl)CO TS55567 [0,1,0,0,0,0|1,0,2]=4 603 B9R1.2 c1cc(nc(c1)Cl)NN TS55261 [0,1,0,0,0,0|3,0,0]=4 604 B9R1.2 c1cc(nc(c1)F)C#N TS32482 [0,1,0,0,0,0|2,0,1]=4 605 B9R1.2 c1cc(nc(c1)F)C=O TS55360 [0,1,0,0,0,0|1,0,0]=2 606 B9R1.2 c1cc(nc(c1)I)CO TS25668 [0,1,0,0,0,0|1,0,2]=4 607 B9R1.2 c1cnc(cc1Br)C#N TS71010 [0,1,0,0,0,0|2,0,1]=4 608 B9R1.2 c1cnc(cc1Br)C=O TS71011 [0,1,0,0,0,0|1,0,0]=2 609 B9R1.2 c1cnc(cc1Br)CN TS39553 [0,1,0,0,0,0|2,0,1]=4 610 B9R1.2 c1cnc(cc1Br)CN TS87352 [0,1,0,0,0,0|2,0,1]=4 611 B9R1.2 c1cnc(cc1Br)CO TS08030 [0,1,0,0,0,0|1,0,2]=4 612 B9R1.2 c1cnc(cc1C#N)Br TS00848 [0,1,0,0,0,0|2,0,1]=4 613 B9R1.2 c1cnc(cc1C#N)Cl TS00881 [0,1,0,0,0,0|2,0,1]=4 614 B9R1.2 c1cnc(cc1C#N)F TS09016 [0,1,0,0,0,0|2,0,1]=4 615 B9R1.2 c1cnc(cc1C#N)N TS85411 [0,1,0,0,0,0|2,0,1]=4 616 B9R1.2 c1cnc(cc1C#N)O TS32412 [0,1,0,0,0,0|2,0,1]=4 617 B9R1.2 c1cnc(cc1C=O)Br TS00862 [0,1,0,0,0,0|1,0,0]=2 618 B9R1.2 c1cnc(cc1C=O)Cl TS55217 [0,1,0,0,0,0|1,0,0]=2 619 B9R1.2 c1cnc(cc1C=O)F TS01027 [0,1,0,0,0,0|1,0,0]=2 620 B9R1.2 c1cnc(cc1C=O)N TS32497 [0,1,0,0,0,0|1,0,0]=2 621 B9R1.2 c1cnc(cc1C=O)O TS55404 [0,1,0,0,0,0|1,0,0]=2 622 B9R1.2 c1cnc(cc1CCl)N TS37692 [0,1,0,0,0,0|2,0,1]=4 623 B9R1.2 c1cnc(cc1CN)Cl TS06803 [0,1,0,0,0,0|2,0,1]=4 624 B9R1.2 c1cnc(cc1CN)N TS03001 [0,1,0,0,0,0|2,0,1]=4 625 B9R1.2 c1cnc(cc1CO)Br TS00864 [0,1,0,0,0,0|1,0,2]=4 626 B9R1.2 c1cnc(cc1CO)Cl TS46504 [0,1,0,0,0,0|1,0,2]=4 627 B9R1.2 c1cnc(cc1CO)F TS36210 [0,1,0,0,0,0|1,0,2]=4 628 B9R1.2 c1cnc(cc1CO)N TS00819 [0,1,0,0,0,0|1,0,2]=4 629 B9R1.2 c1cnc(cc1Cl)C#N TS09690 [0,1,0,0,0,0|2,0,1]=4 630 B9R1.2 c1cnc(cc1Cl)C=O TS09692 [0,1,0,0,0,0|1,0,0]=2 631 B9R1.2 c1cnc(cc1Cl)CN TS37691 [0,1,0,0,0,0|2,0,1]=4 632 B9R1.2 c1cnc(cc1Cl)CN TS44724 [0,1,0,0,0,0|2,0,1]=4 633 B9R1.2 c1cnc(cc1Cl)CO TS08035 [0,1,0,0,0,0|1,0,2]=4 634 B9R1.2 c1cnc(cc1Cl)NN TS94440 [0,1,0,0,0,0|3,0,0]=4 635 B9R1.2 c1cnc(cc1F)C#N TS04891 [0,1,0,0,0,0|2,0,1]=4 636 B9R1.2 c1cnc(cc1N)C#N TS32398 [0,1,0,0,0,0|2,0,1]=4 637 B9R1.2 c1cnc(cc1NN)Cl TS55218 [0,1,0,0,0,0|3,0,0]=4 638 B9R1.2 c1cnc(nc1C=O)Cl TS87068 [0,1,0,0,0,0|2,0,0]=3 639 B9R1.6 B(c1ccccc1)(Cl)Cl TS42008 [0,1,0,0,0,0|2,0,0]=3 640 B9R1.6 B(c1ccccc1)(O)O TS59339 [0,1,0,0,0,0|1,0,1]=3 641 B9R1.6 B(c1cccnc1)(O)O TS02468 [0,1,0,0,0,0|2,0,1]=4 642 B9R1.6 B(c1cccnc1)(O)O TS11179 [0,1,0,0,0,0|2,0,1]=4 643 B9R1.6 B(c1ccncc1)(O)O TS39931 [0,1,0,0,0,0|2,0,1]=4 644 B9R1.6 B(c1ccncc1)(O)O TS90264 [0,1,0,0,0,0|2,0,1]=4 645 B9R1.6 B(c1ccncc1)(O)O TS93424 [0,1,0,0,0,0|2,0,1]=4 646 B9R1.6 C=C(c1ccccc1)Br TS48375 [0,1,0,0,0,0|1,0,0]=2 647 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [0,1,0,0,0,0|1,0,0]=2 648 B9R1.6 CC(=C)c1ccccc1 TS32349 [0,1,0,0,0,0|1,0,0]=2 649 B9R1.6 CC(=O)c1ccccc1 TS32455 [0,1,0,0,0,0|0,0,0]=1 650 B9R1.6 CC(=O)c1ccccc1 TS32456 [0,1,0,0,0,0|0,0,0]=1 651 B9R1.6 CC(=O)c1ccccc1 TS38236 [0,1,0,0,0,0|0,0,0]=1 652 B9R1.6 CC(=O)c1ccccc1 TS55713 [0,1,0,0,0,0|0,0,0]=1 653 B9R1.6 CC(=O)c1ccccn1 TS04861 [0,1,0,0,0,0|1,0,0]=2 654 B9R1.6 CC(=O)c1cccnc1 TS65831 [0,1,0,0,0,0|1,0,0]=2 655 B9R1.6 CC(=O)c1cccnn1 TS87133 [0,1,0,0,0,0|2,0,0]=3 656 B9R1.6 CC(=O)c1ccncc1 TS02952 [0,1,0,0,0,0|1,0,0]=2 657 B9R1.6 CC(=O)c1ccncn1 TS87400 [0,1,0,0,0,0|2,0,0]=3 658 B9R1.6 CC(=O)c1ccnnc1 TS89714 [0,1,0,0,0,0|2,0,0]=3 659 B9R1.6 CC(=O)c1cnccn1 TS55718 [0,1,0,0,0,0|2,0,0]=3 660 B9R1.6 CC(=O)c1cncnc1 TS46735 [0,1,0,0,0,0|2,0,0]=3 661 B9R1.6 CC(=O)c1ncccn1 TS91588 [0,1,0,0,0,0|2,0,0]=3 662 B9R1.6 CC(C)c1ccccn1 TS32479 [0,1,0,0,0,0|2,0,1]=4 663 B9R1.6 CC(C)c1ccccn1 TS49188 [0,1,0,0,0,0|2,0,1]=4 664 B9R1.6 CC(C)c1ccncc1 TS09132 [0,1,0,0,0,0|2,0,1]=4 665 B9R1.6 CC(c1ccccc1)Cl TS37453 [0,1,0,0,0,0|1,0,1]=3 666 B9R1.6 CC(c1ccccc1)N TS55879 [0,1,0,0,0,0|1,0,1]=3 667 B9R1.6 CC(c1ccccc1)O TS04908 [0,1,0,0,0,0|0,0,2]=3 668 B9R1.6 CC(c1ccccn1)N TS47025 [0,1,0,0,0,0|2,0,1]=4 669 B9R1.6 CC(c1ccccn1)N TS59503 [0,1,0,0,0,0|2,0,1]=4 670 B9R1.6 CC(c1ccccn1)O TS08930 [0,1,0,0,0,0|1,0,2]=4 671 B9R1.6 CC(c1cccnc1)N TS59573 [0,1,0,0,0,0|2,0,1]=4 672 B9R1.6 CC(c1ccncc1)N TS51965 [0,1,0,0,0,0|2,0,1]=4 673 B9R1.6 CC(c1ccncc1)N TS59574 [0,1,0,0,0,0|2,0,1]=4 674 B9R1.6 CN(C)c1cc[nH+]cc1 TS29274 [0,1,0,0,0,0|3,0,0]=4 675 B9R1.6 CN(C)c1ccccc1 TS56353 [0,1,0,0,0,0|2,0,0]=3 676 B9R1.6 CN(C)c1ccccn1 TS04916 [0,1,0,0,0,0|3,0,0]=4 677 B9R1.6 CN(C)c1cccnc1 TS32521 [0,1,0,0,0,0|3,0,0]=4 678 B9R1.6 CN(C)c1ccncc1 TS71094 [0,1,0,0,0,0|3,0,0]=4 679 B9R1.6 CN(C)c1ccncc1 TS79663 [0,1,0,0,0,0|3,0,0]=4 680 B9R1.6 CN(C)c1ccncc1 TS93097 [0,1,0,0,0,0|3,0,0]=4 681 B9R1.6 CN(c1ccccc1)N TS46980 [0,1,0,0,0,0|2,0,0]=3 682 B9R1.6 CP(C)c1ccccc1 TS37178 [0,1,0,0,0,0|2,0,0]=3 683 B9R1.6 CP(C)c1ccccc1 TS75399 [0,1,0,0,0,0|2,0,0]=3 684 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [0,1,0,0,0,0|1,0,1]=3 685 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [0,1,0,0,0,0|0,0,2]=3 686 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [0,1,0,0,0,0|1,0,2]=4 687 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [0,1,0,0,0,0|1,0,2]=4 688 B9R1.6 C[C@@H](c1ccncc1)O TS32559 [0,1,0,0,0,0|1,0,2]=4 689 B9R1.6 C[C@H](c1ccccc1)N TS00310 [0,1,0,0,0,0|1,0,1]=3 690 B9R1.6 C[C@H](c1ccccc1)N TS29339 [0,1,0,0,0,0|1,0,1]=3 691 B9R1.6 C[C@H](c1ccccc1)O TS04906 [0,1,0,0,0,0|0,0,2]=3 692 B9R1.6 C[C@H](c1ccccn1)O TS04976 [0,1,0,0,0,0|1,0,2]=4 693 B9R1.6 C[C@H](c1cccnc1)O TS04956 [0,1,0,0,0,0|1,0,2]=4 694 B9R1.6 C[C@H](c1ccncc1)O TS39982 [0,1,0,0,0,0|1,0,2]=4 695 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [0,1,0,0,0,0|1,1,0]=3 696 B9R1.6 c1c(cncn1)C(=N)N TS60163 [0,1,0,0,0,0|3,0,0]=4 697 B9R1.6 c1c(cncn1)C(=O)O TS11330 [0,1,0,0,0,0|2,0,0]=3 698 B9R1.6 c1c(cncn1)C(=O)O TS88781 [0,1,0,0,0,0|2,0,0]=3 699 B9R1.6 c1c(cncn1)C(=O)[O-] TS40359 [0,1,0,0,0,0|2,0,0]=3 700 B9R1.6 c1c(cncn1)C(=S)N TS37304 [0,1,0,0,0,0|2,1,0]=4 701 B9R1.6 c1c[nH+]ccc1C(=N)N TS02953 [0,1,0,0,0,0|2,0,0]=3 702 B9R1.6 c1cc(cnc1)C(=O)Cl TS01937 [0,1,0,0,0,0|1,0,0]=2 703 B9R1.6 c1cc(cnc1)C(=O)Cl TS56401 [0,1,0,0,0,0|1,0,0]=2 704 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [0,1,0,0,0,0|1,0,0]=2 705 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [0,1,0,0,0,0|1,0,0]=2 706 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [0,1,0,0,0,0|1,0,0]=2 707 B9R1.6 c1cc(cnc1)C(=O)O TS36046 [0,1,0,0,0,0|1,0,0]=2 708 B9R1.6 c1cc(cnc1)C(=O)[O-] TS07068 [0,1,0,0,0,0|1,0,0]=2 709 B9R1.6 c1cc(cnc1)C(=O)[O-] TS73812 [0,1,0,0,0,0|1,0,0]=2 710 B9R1.6 c1cc(cnc1)C(=O)[O-] TS81627 [0,1,0,0,0,0|1,0,0]=2 711 B9R1.6 c1cc(cnc1)C(=S)N TS00280 [0,1,0,0,0,0|1,1,0]=3 712 B9R1.6 c1cc(cnc1)C(=S)O TS37303 [0,1,0,0,0,0|1,0,1]=3 713 B9R1.6 c1cc(cnc1)[N+](=O)[O-] TS05007 [0,1,0,0,0,0|2,0,0]=3 714 B9R1.6 c1cc(nnc1)C(=O)O TS59367 [0,1,0,0,0,0|2,0,0]=3 715 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [0,1,0,0,0,0|1,0,0]=2 716 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [0,1,0,0,0,0|1,0,0]=2 717 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [0,1,0,0,0,0|1,0,0]=2 718 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [0,1,0,0,0,0|0,0,0]=1 719 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [0,1,0,0,0,0|0,0,0]=1 720 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [0,1,0,0,0,0|0,0,0]=1 721 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [0,1,0,0,0,0|0,0,0]=1 722 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [0,1,0,0,0,0|0,0,0]=1 723 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [0,1,0,0,0,0|0,0,0]=1 724 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [0,1,0,0,0,0|0,0,0]=1 725 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [0,1,0,0,0,0|0,0,0]=1 726 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [0,1,0,0,0,0|0,0,0]=1 727 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [0,1,0,0,0,0|0,0,0]=1 728 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [0,1,0,0,0,0|0,0,0]=1 729 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [0,1,0,0,0,0|0,0,0]=1 730 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [0,1,0,0,0,0|0,0,0]=1 731 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [0,1,0,0,0,0|0,0,0]=1 732 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [0,1,0,0,0,0|0,1,0]=2 733 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [0,1,0,0,0,0|0,0,1]=2 734 B9R1.6 c1ccc(cc1)C(Br)Br TS27976 [0,1,0,0,0,0|1,0,1]=3 735 B9R1.6 c1ccc(cc1)C(F)Cl TS40273 [0,1,0,0,0,0|1,0,1]=3 736 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [0,1,0,0,0,0|1,0,0]=2 737 B9R1.6 c1ccc(cc1)I(Cl)Cl TS07874 [0,1,0,0,0,0|2,0,0]=3 738 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [0,1,0,0,0,0|1,0,0]=2 739 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [0,1,0,0,0,0|1,0,0]=2 740 B9R1.6 c1ccc(cc1)P(Cl)Cl TS14332 [0,1,0,0,0,0|2,0,0]=3 741 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [0,1,0,0,0,0|1,0,0]=2 742 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [0,1,0,0,0,0|1,0,0]=2 743 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [0,1,0,0,0,0|1,0,0]=2 744 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [0,1,0,0,0,0|1,0,0]=2 745 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl TS46224 [0,1,0,0,0,0|1,1,0]=3 746 B9R1.6 c1ccnc(c1)C(=N)N TS10924 [0,1,0,0,0,0|2,0,0]=3 747 B9R1.6 c1ccnc(c1)C(=O)Cl TS46362 [0,1,0,0,0,0|1,0,0]=2 748 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [0,1,0,0,0,0|1,0,0]=2 749 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [0,1,0,0,0,0|1,0,0]=2 750 B9R1.6 c1ccnc(c1)C(=O)[O-] TS07067 [0,1,0,0,0,0|1,0,0]=2 751 B9R1.6 c1ccnc(c1)C(=O)[O-] TS58877 [0,1,0,0,0,0|1,0,0]=2 752 B9R1.6 c1ccnc(c1)C(=O)[O-] TS76363 [0,1,0,0,0,0|1,0,0]=2 753 B9R1.6 c1ccnc(c1)C(=O)[O-] TS81628 [0,1,0,0,0,0|1,0,0]=2 754 B9R1.6 c1ccnc(c1)C(=O)[O-] TS93320 [0,1,0,0,0,0|1,0,0]=2 755 B9R1.6 c1ccnc(c1)C(=S)N TS06297 [0,1,0,0,0,0|1,1,0]=3 756 B9R1.6 c1cnc(cn1)C(=N)N TS32502 [0,1,0,0,0,0|3,0,0]=4 757 B9R1.6 c1cnc(cn1)C(=N)N TS59360 [0,1,0,0,0,0|3,0,0]=4 758 B9R1.6 c1cnc(cn1)C(=O)Cl TS37679 [0,1,0,0,0,0|2,0,0]=3 759 B9R1.6 c1cnc(cn1)C(=O)O TS59361 [0,1,0,0,0,0|2,0,0]=3 760 B9R1.6 c1cnc(cn1)C(=S)N TS37306 [0,1,0,0,0,0|2,1,0]=4 761 B9R1.6 c1cnc(nc1)C(=N)N TS08803 [0,1,0,0,0,0|3,0,0]=4 762 B9R1.6 c1cnc(nc1)C(=O)O TS87638 [0,1,0,0,0,0|2,0,0]=3 763 B9R1.6 c1cnccc1C(=N)N TS01862 [0,1,0,0,0,0|2,0,0]=3 764 B9R1.6 c1cnccc1C(=O)Cl TS46358 [0,1,0,0,0,0|1,0,0]=2 765 B9R1.6 c1cnccc1C(=O)N TS74511 [0,1,0,0,0,0|1,0,0]=2 766 B9R1.6 c1cnccc1C(=O)O TS01508 [0,1,0,0,0,0|1,0,0]=2 767 B9R1.6 c1cnccc1C(=O)[O-] TS07066 [0,1,0,0,0,0|1,0,0]=2 768 B9R1.6 c1cnccc1C(=S)N TS06294 [0,1,0,0,0,0|1,1,0]=3 769 B9R1.6 c1cnccc1[N+](=O)[O-] TS05008 [0,1,0,0,0,0|2,0,0]=3 770 B9R1.6 c1cncnc1C(=O)O TS90236 [0,1,0,0,0,0|2,0,0]=3 771 B9R1.6 c1cnnc(n1)C(=O)O TS36044 [0,1,0,0,0,0|3,0,0]=4 772 B9R1.6 c1cnncc1C(=O)O TS59368 [0,1,0,0,0,0|2,0,0]=3 773 B9R1.8 C#CCc1ccccc1 TS32230 [0,1,0,0,0,0|1,0,1]=3 774 B9R1.8 C=CC[n+]1ccccc1 TS37844 [0,1,0,0,0,0|2,0,0]=3 775 B9R1.8 C=CCc1ccccc1 TS32347 [0,1,0,0,0,0|1,0,0]=2 776 B9R1.8 C=CSc1ccccc1 TS06113 [0,1,0,0,0,0|1,0,0]=2 777 B9R1.8 CC#Cc1ccccc1 TS04599 [0,1,0,0,0,0|1,0,1]=3 778 B9R1.8 CC=Cc1ccccc1 TS32346 [0,1,0,0,0,0|1,0,0]=2 779 B9R1.8 CCC[n+]1ccccc1 TS38202 [0,1,0,0,0,0|2,0,1]=4 780 B9R1.8 CCCc1ccccc1 TS04832 [0,1,0,0,0,0|1,0,1]=3 781 B9R1.8 CCCc1ccccn1 TS85359 [0,1,0,0,0,0|2,0,1]=4 782 B9R1.8 CCNc1ccccc1 TS04869 [0,1,0,0,0,0|1,0,1]=3 783 B9R1.8 CCOc1ccccc1 TS04896 [0,1,0,0,0,0|1,0,1]=3 784 B9R1.8 CCOc1ccccn1 TS55309 [0,1,0,0,0,0|2,0,1]=4 785 B9R1.8 CCOc1ccncc1 TS04974 [0,1,0,0,0,0|2,0,1]=4 786 B9R1.8 CCSc1ccccc1 TS06299 [0,1,0,0,0,0|1,0,1]=3 787 B9R1.8 CNCc1ccccc1 TS01938 [0,1,0,0,0,0|1,0,1]=3 788 B9R1.8 CNCc1ccccn1 TS51966 [0,1,0,0,0,0|2,0,1]=4 789 B9R1.8 CNCc1cccnc1 TS02609 [0,1,0,0,0,0|2,0,1]=4 790 B9R1.8 CNCc1ccncc1 TS65238 [0,1,0,0,0,0|2,0,1]=4 791 B9R1.8 CNNc1ccccc1 TS85406 [0,1,0,0,0,0|2,0,0]=3 792 B9R1.8 COCc1ccccc1 TS04897 [0,1,0,0,0,0|0,0,2]=3 793 B9R1.8 COCc1ccccn1 TS00518 [0,1,0,0,0,0|1,0,2]=4 794 B9R1.8 CSCc1ccccc1 TS06309 [0,1,0,0,0,0|0,1,1]=3 795 B9R1.8 CSSc1ccccc1 TS41708 [0,1,0,0,0,0|1,1,0]=3 796 B9R1.8 [C-]#[N+]Cc1ccccc1 TS04681 [0,1,0,0,0,0|1,0,1]=3 797 B9R1.8 [Li]C#Cc1ccccc1 TS04133 [0,1,0,0,0,0|1,0,1]=3 798 B9R1.8 c1cc(cnc1)C=NO TS32495 [0,1,0,0,0,0|1,0,1]=3 799 B9R1.8 c1cc(cnc1)CC#N TS04724 [0,1,0,0,0,0|2,0,1]=4 800 B9R1.8 c1cc(cnc1)CCN TS41995 [0,1,0,0,0,0|2,0,1]=4 801 B9R1.8 c1cc(cnc1)CCN TS65667 [0,1,0,0,0,0|2,0,1]=4 802 B9R1.8 c1cc(cnc1)CCO TS39614 [0,1,0,0,0,0|1,0,2]=4 803 B9R1.8 c1cc(cnc1)CNN TS87066 [0,1,0,0,0,0|2,0,1]=4 804 B9R1.8 c1cc(cnc1)N=C=O TS32413 [0,1,0,0,0,0|1,0,1]=3 805 B9R1.8 c1cc[n+](cc1)CC#N TS41465 [0,1,0,0,0,0|2,0,1]=4 806 B9R1.8 c1ccc(cc1)C#CBr TS48021 [0,1,0,0,0,0|1,0,1]=3 807 B9R1.8 c1ccc(cc1)C=CBr TS48378 [0,1,0,0,0,0|1,0,0]=2 808 B9R1.8 c1ccc(cc1)C=CCl TS37253 [0,1,0,0,0,0|1,0,0]=2 809 B9R1.8 c1ccc(cc1)C=CN TS55760 [0,1,0,0,0,0|1,0,0]=2 810 B9R1.8 c1ccc(cc1)C=N#N TS04720 [0,1,0,0,0,0|1,0,0]=2 811 B9R1.8 c1ccc(cc1)C=NN TS04817 [0,1,0,0,0,0|1,0,0]=2 812 B9R1.8 c1ccc(cc1)CC#N TS04678 [0,1,0,0,0,0|1,0,1]=3 813 B9R1.8 c1ccc(cc1)CCBr TS15419 [0,1,0,0,0,0|1,0,1]=3 814 B9R1.8 c1ccc(cc1)CCCl TS37454 [0,1,0,0,0,0|1,0,1]=3 815 B9R1.8 c1ccc(cc1)CCI TS25156 [0,1,0,0,0,0|1,0,1]=3 816 B9R1.8 c1ccc(cc1)CCN TS22602 [0,1,0,0,0,0|1,0,1]=3 817 B9R1.8 c1ccc(cc1)CCN TS65627 [0,1,0,0,0,0|1,0,1]=3 818 B9R1.8 c1ccc(cc1)CCO TS04901 [0,1,0,0,0,0|0,0,2]=3 819 B9R1.8 c1ccc(cc1)CCS TS06307 [0,1,0,0,0,0|0,1,1]=3 820 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [0,1,0,0,0,0|1,0,1]=3 821 B9R1.8 c1ccc(cc1)CNN TS09177 [0,1,0,0,0,0|1,0,1]=3 822 B9R1.8 c1ccc(cc1)CNN TS21284 [0,1,0,0,0,0|1,0,1]=3 823 B9R1.8 c1ccc(cc1)CNO TS01934 [0,1,0,0,0,0|0,0,2]=3 824 B9R1.8 c1ccc(cc1)CNO TS93618 [0,1,0,0,0,0|0,0,2]=3 825 B9R1.8 c1ccc(cc1)C[Mg]Br TS52066 [0,1,0,0,0,0|1,0,1]=3 826 B9R1.8 c1ccc(cc1)C[Mg]Cl TS40953 [0,1,0,0,0,0|1,0,1]=3 827 B9R1.8 c1ccc(cc1)N=C=O TS32396 [0,1,0,0,0,0|0,0,1]=2 828 B9R1.8 c1ccc(cc1)N=C=S TS06000 [0,1,0,0,0,0|0,1,1]=3 829 B9R1.8 c1ccc(cc1)N=[N+]=[N-] TS04781 [0,1,0,0,0,0|2,0,0]=3 830 B9R1.8 c1ccc(cc1)NC=O TS04863 [0,1,0,0,0,0|0,0,0]=1 831 B9R1.8 c1ccc(cc1)OC#N TS32392 [0,1,0,0,0,0|1,0,1]=3 832 B9R1.8 c1ccc(cc1)OC=O TS32488 [0,1,0,0,0,0|0,0,0]=1 833 B9R1.8 c1ccc(cc1)SCCl TS42004 [0,1,0,0,0,0|1,0,1]=3 834 B9R1.8 c1ccc(cc1)[Se]C#N TS48175 [0,1,0,0,0,0|1,0,1]=3 835 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [0,1,0,0,0,0|1,0,1]=3 836 B9R1.8 c1ccnc(c1)C=NO TS53320 [0,1,0,0,0,0|1,0,1]=3 837 B9R1.8 c1ccnc(c1)C=NO TS94195 [0,1,0,0,0,0|1,0,1]=3 838 B9R1.8 c1ccnc(c1)CC#N TS04723 [0,1,0,0,0,0|2,0,1]=4 839 B9R1.8 c1ccnc(c1)CCCl TS37532 [0,1,0,0,0,0|2,0,1]=4 840 B9R1.8 c1ccnc(c1)CCN TS04914 [0,1,0,0,0,0|2,0,1]=4 841 B9R1.8 c1ccnc(c1)CCN TS17997 [0,1,0,0,0,0|2,0,1]=4 842 B9R1.8 c1ccnc(c1)CCO TS04967 [0,1,0,0,0,0|1,0,2]=4 843 B9R1.8 c1ccnc(c1)CNN TS87756 [0,1,0,0,0,0|2,0,1]=4 844 B9R1.8 c1ccnc(c1)N=C=S TS37004 [0,1,0,0,0,0|1,1,1]=4 845 B9R1.8 c1ccnc(c1)NC=O TS32499 [0,1,0,0,0,0|1,0,0]=2 846 B9R1.8 c1cnc(nc1)C=NO TS32554 [0,1,0,0,0,0|2,0,1]=4 847 B9R1.8 c1cnccc1C=NO TS59376 [0,1,0,0,0,0|1,0,1]=3 848 B9R1.8 c1cnccc1CCN TS09522 [0,1,0,0,0,0|2,0,1]=4 849 B9R1.8 c1cnccc1CCO TS70737 [0,1,0,0,0,0|1,0,2]=4 850 B9R1.8 c1cnccc1CCS TS06395 [0,1,0,0,0,0|1,1,1]=4 851 B9R1.8 c1cnccc1CCS TS46022 [0,1,0,0,0,0|1,1,1]=4 852 B9R1.8 c1cnccc1CNN TS85585 [0,1,0,0,0,0|2,0,1]=4 853 B9R1.8 c1cnccc1N=C=S TS37005 [0,1,0,0,0,0|1,1,1]=4 854 B9R1.15 C#Cc1ccccc1Br TS48023 [0,1,0,0,0,0|1,0,1]=3 855 B9R1.15 C#Cc1ccccc1Cl TS55288 [0,1,0,0,0,0|1,0,1]=3 856 B9R1.15 C#Cc1ccccc1F TS77181 [0,1,0,0,0,0|1,0,1]=3 857 B9R1.15 C#Cc1ccccc1O TS55318 [0,1,0,0,0,0|1,0,1]=3 858 B9R1.15 C=Cc1ccccc1Br TS55173 [0,1,0,0,0,0|1,0,0]=2 859 B9R1.15 C=Cc1ccccc1Cl TS00968 [0,1,0,0,0,0|1,0,0]=2 860 B9R1.15 C=Cc1ccccc1F TS32504 [0,1,0,0,0,0|1,0,0]=2 861 B9R1.15 C=Cc1ccccc1I TS24807 [0,1,0,0,0,0|1,0,0]=2 862 B9R1.15 CC[n+]1ccccc1Br TS33546 [0,1,0,0,0,0|2,0,1]=4 863 B9R1.15 CCc1cccc[n+]1[O-] TS32558 [0,1,0,0,0,0|2,0,1]=4 864 B9R1.15 CCc1ccccc1Br TS15420 [0,1,0,0,0,0|1,0,1]=3 865 B9R1.15 CCc1ccccc1C TS16337 [0,1,0,0,0,0|1,0,1]=3 866 B9R1.15 CCc1ccccc1Cl TS37450 [0,1,0,0,0,0|1,0,1]=3 867 B9R1.15 CCc1ccccc1I TS25157 [0,1,0,0,0,0|1,0,1]=3 868 B9R1.15 CCc1ccccc1N TS32474 [0,1,0,0,0,0|1,0,1]=3 869 B9R1.15 CCc1ccccc1O TS04900 [0,1,0,0,0,0|1,0,1]=3 870 B9R1.15 CCc1ccccc1S TS06304 [0,1,0,0,0,0|1,0,1]=3 871 B9R1.15 CCc1cccnc1C TS32475 [0,1,0,0,0,0|2,0,1]=4 872 B9R1.15 CCc1ccncc1C TS32464 [0,1,0,0,0,0|2,0,1]=4 873 B9R1.15 CCc1cnccc1Br TS92322 [0,1,0,0,0,0|2,0,1]=4 874 B9R1.15 CCc1cnccc1C TS32480 [0,1,0,0,0,0|2,0,1]=4 875 B9R1.15 CNc1c(cccn1)Br TS49024 [0,1,0,0,0,0|3,0,0]=4 876 B9R1.15 CNc1c(cccn1)Cl TS44725 [0,1,0,0,0,0|3,0,0]=4 877 B9R1.15 CNc1ccccc1Cl TS37531 [0,1,0,0,0,0|2,0,0]=3 878 B9R1.15 CNc1ccccc1F TS56413 [0,1,0,0,0,0|2,0,0]=3 879 B9R1.15 CNc1ccccc1N TS01587 [0,1,0,0,0,0|2,0,0]=3 880 B9R1.15 CNc1ccccc1N TS41998 [0,1,0,0,0,0|2,0,0]=3 881 B9R1.15 CNc1ccccc1N TS60152 [0,1,0,0,0,0|2,0,0]=3 882 B9R1.15 CNc1ccccc1O TS04968 [0,1,0,0,0,0|2,0,0]=3 883 B9R1.15 CNc1cccnc1Br TS49018 [0,1,0,0,0,0|3,0,0]=4 884 B9R1.15 CNc1cccnc1Cl TS06799 [0,1,0,0,0,0|3,0,0]=4 885 B9R1.15 CNc1cccnc1Cl TS46508 [0,1,0,0,0,0|3,0,0]=4 886 B9R1.15 CNc1ccncc1N TS32563 [0,1,0,0,0,0|3,0,0]=4 887 B9R1.15 COc1c(cccn1)Br TS65905 [0,1,0,0,0,0|3,0,0]=4 888 B9R1.15 COc1c(cccn1)Cl TS65976 [0,1,0,0,0,0|3,0,0]=4 889 B9R1.15 COc1c(cccn1)F TS36212 [0,1,0,0,0,0|3,0,0]=4 890 B9R1.15 COc1c(cccn1)I TS02808 [0,1,0,0,0,0|3,0,0]=4 891 B9R1.15 COc1c(cccn1)N TS02635 [0,1,0,0,0,0|3,0,0]=4 892 B9R1.15 COc1ccccc1Br TS00023 [0,1,0,0,0,0|2,0,0]=3 893 B9R1.15 COc1ccccc1Cl TS37688 [0,1,0,0,0,0|2,0,0]=3 894 B9R1.15 COc1ccccc1F TS60288 [0,1,0,0,0,0|2,0,0]=3 895 B9R1.15 COc1ccccc1I TS09308 [0,1,0,0,0,0|2,0,0]=3 896 B9R1.15 COc1ccccc1N TS29238 [0,1,0,0,0,0|2,0,0]=3 897 B9R1.15 COc1ccccc1N TS59329 [0,1,0,0,0,0|2,0,0]=3 898 B9R1.15 COc1ccccc1P TS06425 [0,1,0,0,0,0|2,0,0]=3 899 B9R1.15 COc1ccccc1S TS37393 [0,1,0,0,0,0|2,0,0]=3 900 B9R1.15 COc1ccccc1[Zn+] TS74540 [0,1,0,0,0,0|2,0,0]=3 901 B9R1.15 COc1cccnc1Br TS08305 [0,1,0,0,0,0|3,0,0]=4 902 B9R1.15 COc1cccnc1Cl TS55198 [0,1,0,0,0,0|3,0,0]=4 903 B9R1.15 COc1cccnc1I TS25665 [0,1,0,0,0,0|3,0,0]=4 904 B9R1.15 COc1cccnc1N TS47373 [0,1,0,0,0,0|3,0,0]=4 905 B9R1.15 COc1cccnc1O TS55383 [0,1,0,0,0,0|3,0,0]=4 906 B9R1.15 COc1ccncc1Br TS09454 [0,1,0,0,0,0|3,0,0]=4 907 B9R1.15 COc1ccncc1I TS02810 [0,1,0,0,0,0|3,0,0]=4 908 B9R1.15 COc1ccncc1N TS65861 [0,1,0,0,0,0|3,0,0]=4 909 B9R1.15 CSc1ccccc1Br TS19526 [0,1,0,0,0,0|2,0,0]=3 910 B9R1.15 CSc1ccccc1Cl TS42002 [0,1,0,0,0,0|2,0,0]=3 911 B9R1.15 CSc1ccccc1F TS06689 [0,1,0,0,0,0|2,0,0]=3 912 B9R1.15 CSc1ccccc1I TS27990 [0,1,0,0,0,0|2,0,0]=3 913 B9R1.15 CSc1ccccc1O TS37395 [0,1,0,0,0,0|2,0,0]=3 914 B9R1.15 CSc1ccccc1[Zn+] TS76795 [0,1,0,0,0,0|2,0,0]=3 915 B9R1.15 Cc1c(cccn1)C#N TS60304 [0,1,0,0,0,0|2,0,1]=4 916 B9R1.15 Cc1c(cccn1)C=O TS02436 [0,1,0,0,0,0|1,0,0]=2 917 B9R1.15 Cc1c(cccn1)CBr TS87803 [0,1,0,0,0,0|2,0,1]=4 918 B9R1.15 Cc1c(cccn1)CCl TS90028 [0,1,0,0,0,0|2,0,1]=4 919 B9R1.15 Cc1c(cccn1)CN TS32520 [0,1,0,0,0,0|2,0,1]=4 920 B9R1.15 Cc1c(cccn1)CO TS04969 [0,1,0,0,0,0|1,0,2]=4 921 B9R1.15 Cc1c(cccn1)OC TS04964 [0,1,0,0,0,0|3,0,0]=4 922 B9R1.15 Cc1c(nccn1)C=O TS86293 [0,1,0,0,0,0|2,0,0]=3 923 B9R1.15 Cc1ccccc1C#C TS02442 [0,1,0,0,0,0|1,0,1]=3 924 B9R1.15 Cc1ccccc1C#N TS04680 [0,1,0,0,0,0|1,0,1]=3 925 B9R1.15 Cc1ccccc1C=C TS02453 [0,1,0,0,0,0|1,0,0]=2 926 B9R1.15 Cc1ccccc1C=O TS04808 [0,1,0,0,0,0|0,0,0]=1 927 B9R1.15 Cc1ccccc1CBr TS01133 [0,1,0,0,0,0|1,0,1]=3 928 B9R1.15 Cc1ccccc1CCl TS37456 [0,1,0,0,0,0|1,0,1]=3 929 B9R1.15 Cc1ccccc1CN TS04867 [0,1,0,0,0,0|1,0,1]=3 930 B9R1.15 Cc1ccccc1CO TS04907 [0,1,0,0,0,0|0,0,2]=3 931 B9R1.15 Cc1ccccc1CS TS06308 [0,1,0,0,0,0|0,1,1]=3 932 B9R1.15 Cc1ccccc1NC TS32471 [0,1,0,0,0,0|2,0,0]=3 933 B9R1.15 Cc1ccccc1NN TS60156 [0,1,0,0,0,0|2,0,0]=3 934 B9R1.15 Cc1ccccc1OC TS32508 [0,1,0,0,0,0|2,0,0]=3 935 B9R1.15 Cc1ccccc1[Mg]Br TS52065 [0,1,0,0,0,0|2,0,0]=3 936 B9R1.15 Cc1ccccc1[Mg]Cl TS40954 [0,1,0,0,0,0|2,0,0]=3 937 B9R1.15 Cc1cccnc1C#N TS55290 [0,1,0,0,0,0|2,0,1]=4 938 B9R1.15 Cc1cccnc1C=O TS70677 [0,1,0,0,0,0|1,0,0]=2 939 B9R1.15 Cc1cccnc1CCl TS91176 [0,1,0,0,0,0|2,0,1]=4 940 B9R1.15 Cc1cccnc1CN TS32513 [0,1,0,0,0,0|2,0,1]=4 941 B9R1.15 Cc1cccnc1CO TS04977 [0,1,0,0,0,0|1,0,2]=4 942 B9R1.15 Cc1cccnc1OC TS04965 [0,1,0,0,0,0|3,0,0]=4 943 B9R1.15 Cc1ccncc1C#N TS66015 [0,1,0,0,0,0|2,0,1]=4 944 B9R1.15 Cc1ccncc1C=O TS32454 [0,1,0,0,0,0|1,0,0]=2 945 B9R1.15 Cc1ccncc1CCl TS88594 [0,1,0,0,0,0|2,0,1]=4 946 B9R1.15 Cc1ccncc1CN TS04915 [0,1,0,0,0,0|2,0,1]=4 947 B9R1.15 Cc1ccncc1CO TS04980 [0,1,0,0,0,0|1,0,2]=4 948 B9R1.15 Cc1ccncc1NC TS04920 [0,1,0,0,0,0|3,0,0]=4 949 B9R1.15 Cc1cnccc1C#N TS88896 [0,1,0,0,0,0|2,0,1]=4 950 B9R1.15 Cc1cnccc1C=O TS02833 [0,1,0,0,0,0|1,0,0]=2 951 B9R1.15 Cc1cnccc1CCl TS89010 [0,1,0,0,0,0|2,0,1]=4 952 B9R1.15 Cc1cnccc1CN TS32519 [0,1,0,0,0,0|2,0,1]=4 953 B9R1.15 Cc1cnccc1CO TS91100 [0,1,0,0,0,0|1,0,2]=4 954 B9R1.15 [C-]#[N+]c1ccccc1Br TS14868 [0,1,0,0,0,0|2,0,0]=3 955 B9R1.15 [C-]#[N+]c1ccccc1Cl TS37133 [0,1,0,0,0,0|2,0,0]=3 956 B9R1.15 c1cc(c(nc1)Br)C#N TS08295 [0,1,0,0,0,0|2,0,1]=4 957 B9R1.15 c1cc(c(nc1)Br)C=O TS08314 [0,1,0,0,0,0|1,0,0]=2 958 B9R1.15 c1cc(c(nc1)Br)CBr TS55083 [0,1,0,0,0,0|2,0,1]=4 959 B9R1.15 c1cc(c(nc1)C#N)Br TS16860 [0,1,0,0,0,0|2,0,1]=4 960 B9R1.15 c1cc(c(nc1)C#N)Cl TS65964 [0,1,0,0,0,0|2,0,1]=4 961 B9R1.15 c1cc(c(nc1)C#N)F TS00973 [0,1,0,0,0,0|2,0,1]=4 962 B9R1.15 c1cc(c(nc1)C#N)I TS52930 [0,1,0,0,0,0|2,0,1]=4 963 B9R1.15 c1cc(c(nc1)C#N)N TS02628 [0,1,0,0,0,0|2,0,1]=4 964 B9R1.15 c1cc(c(nc1)C#N)O TS55289 [0,1,0,0,0,0|2,0,1]=4 965 B9R1.15 c1cc(c(nc1)C=O)Cl TS85387 [0,1,0,0,0,0|1,0,0]=2 966 B9R1.15 c1cc(c(nc1)C=O)F TS70563 [0,1,0,0,0,0|1,0,0]=2 967 B9R1.15 c1cc(c(nc1)C=O)N TS32498 [0,1,0,0,0,0|1,0,0]=2 968 B9R1.15 c1cc(c(nc1)C=O)O TS02794 [0,1,0,0,0,0|1,0,0]=2 969 B9R1.15 c1cc(c(nc1)CBr)F TS85731 [0,1,0,0,0,0|2,0,1]=4 970 B9R1.15 c1cc(c(nc1)CBr)O TS08820 [0,1,0,0,0,0|2,0,1]=4 971 B9R1.15 c1cc(c(nc1)CCl)F TS86737 [0,1,0,0,0,0|2,0,1]=4 972 B9R1.15 c1cc(c(nc1)CN)F TS86282 [0,1,0,0,0,0|2,0,1]=4 973 B9R1.15 c1cc(c(nc1)CO)F TS88540 [0,1,0,0,0,0|1,0,2]=4 974 B9R1.15 c1cc(c(nc1)CO)N TS05011 [0,1,0,0,0,0|1,0,2]=4 975 B9R1.15 c1cc(c(nc1)CO)O TS55400 [0,1,0,0,0,0|1,0,2]=4 976 B9R1.15 c1cc(c(nc1)CO)O TS70604 [0,1,0,0,0,0|1,0,2]=4 977 B9R1.15 c1cc(c(nc1)Cl)C#N TS55285 [0,1,0,0,0,0|2,0,1]=4 978 B9R1.15 c1cc(c(nc1)Cl)C=O TS55210 [0,1,0,0,0,0|1,0,0]=2 979 B9R1.15 c1cc(c(nc1)Cl)CCl TS86687 [0,1,0,0,0,0|2,0,1]=4 980 B9R1.15 c1cc(c(nc1)Cl)CO TS55211 [0,1,0,0,0,0|1,0,2]=4 981 B9R1.15 c1cc(c(nc1)F)C#N TS32483 [0,1,0,0,0,0|2,0,1]=4 982 B9R1.15 c1cc(c(nc1)F)C=O TS55324 [0,1,0,0,0,0|1,0,0]=2 983 B9R1.15 c1cc(c(nc1)F)CN TS08409 [0,1,0,0,0,0|2,0,1]=4 984 B9R1.15 c1cc(c(nc1)F)CO TS55320 [0,1,0,0,0,0|1,0,2]=4 985 B9R1.15 c1cc(c(nc1)N)C#N TS47359 [0,1,0,0,0,0|2,0,1]=4 986 B9R1.15 c1cc(c(nc1)N)CCl TS08290 [0,1,0,0,0,0|2,0,1]=4 987 B9R1.15 c1cc(c(nc1)N)CO TS47364 [0,1,0,0,0,0|1,0,2]=4 988 B9R1.15 c1cc(c(nc1)NN)Cl TS60341 [0,1,0,0,0,0|3,0,0]=4 989 B9R1.15 c1cc(c(nc1)O)C#N TS07723 [0,1,0,0,0,0|2,0,1]=4 990 B9R1.15 c1cc(c(nc1)O)C=O TS09407 [0,1,0,0,0,0|1,0,0]=2 991 B9R1.15 c1cc(c(nc1)O)CN TS42244 [0,1,0,0,0,0|2,0,1]=4 992 B9R1.15 c1ccc(c(c1)C#N)Br TS08819 [0,1,0,0,0,0|1,0,1]=3 993 B9R1.15 c1ccc(c(c1)C#N)Cl TS37134 [0,1,0,0,0,0|1,0,1]=3 994 B9R1.15 c1ccc(c(c1)C#N)F TS01022 [0,1,0,0,0,0|1,0,1]=3 995 B9R1.15 c1ccc(c(c1)C#N)I TS60301 [0,1,0,0,0,0|1,0,1]=3 996 B9R1.15 c1ccc(c(c1)C#N)N TS47464 [0,1,0,0,0,0|1,0,1]=3 997 B9R1.15 c1ccc(c(c1)C#N)O TS09306 [0,1,0,0,0,0|1,0,1]=3 998 B9R1.15 c1ccc(c(c1)C#N)[Zn+] TS27646 [0,1,0,0,0,0|1,0,1]=3 999 B9R1.15 c1ccc(c(c1)C=O)Br TS55151 [0,1,0,0,0,0|0,0,0]=1 1000 B9R1.15 c1ccc(c(c1)C=O)Cl TS00949 [0,1,0,0,0,0|0,0,0]=1 1001 B9R1.15 c1ccc(c(c1)C=O)F TS01019 [0,1,0,0,0,0|0,0,0]=1 1002 B9R1.15 c1ccc(c(c1)C=O)I TS02011 [0,1,0,0,0,0|0,0,0]=1 1003 B9R1.15 c1ccc(c(c1)C=O)N TS10911 [0,1,0,0,0,0|0,0,0]=1 1004 B9R1.15 c1ccc(c(c1)C=O)N TS47463 [0,1,0,0,0,0|0,0,0]=1 1005 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [0,1,0,0,0,0|0,0,0]=1 1006 B9R1.15 c1ccc(c(c1)CBr)Br TS55159 [0,1,0,0,0,0|1,0,1]=3 1007 B9R1.15 c1ccc(c(c1)CBr)Cl TS20044 [0,1,0,0,0,0|1,0,1]=3 1008 B9R1.15 c1ccc(c(c1)CBr)F TS01023 [0,1,0,0,0,0|1,0,1]=3 1009 B9R1.15 c1ccc(c(c1)CBr)I TS01081 [0,1,0,0,0,0|1,0,1]=3 1010 B9R1.15 c1ccc(c(c1)CBr)O TS49014 [0,1,0,0,0,0|1,0,1]=3 1011 B9R1.15 c1ccc(c(c1)CCl)Br TS20043 [0,1,0,0,0,0|1,0,1]=3 1012 B9R1.15 c1ccc(c(c1)CCl)Cl TS11356 [0,1,0,0,0,0|1,0,1]=3 1013 B9R1.15 c1ccc(c(c1)CCl)F TS55731 [0,1,0,0,0,0|1,0,1]=3 1014 B9R1.15 c1ccc(c(c1)CN)Br TS23567 [0,1,0,0,0,0|1,0,1]=3 1015 B9R1.15 c1ccc(c(c1)CN)Br TS55158 [0,1,0,0,0,0|1,0,1]=3 1016 B9R1.15 c1ccc(c(c1)CN)Cl TS37533 [0,1,0,0,0,0|1,0,1]=3 1017 B9R1.15 c1ccc(c(c1)CN)F TS65429 [0,1,0,0,0,0|1,0,1]=3 1018 B9R1.15 c1ccc(c(c1)CN)I TS53416 [0,1,0,0,0,0|1,0,1]=3 1019 B9R1.15 c1ccc(c(c1)CN)N TS39642 [0,1,0,0,0,0|1,0,1]=3 1020 B9R1.15 c1ccc(c(c1)CN)O TS04954 [0,1,0,0,0,0|1,0,1]=3 1021 B9R1.15 c1ccc(c(c1)CO)Br TS55157 [0,1,0,0,0,0|0,0,2]=3 1022 B9R1.15 c1ccc(c(c1)CO)Cl TS37683 [0,1,0,0,0,0|0,0,2]=3 1023 B9R1.15 c1ccc(c(c1)CO)F TS36110 [0,1,0,0,0,0|0,0,2]=3 1024 B9R1.15 c1ccc(c(c1)CO)I TS01080 [0,1,0,0,0,0|0,0,2]=3 1025 B9R1.15 c1ccc(c(c1)CO)N TS47468 [0,1,0,0,0,0|0,0,2]=3 1026 B9R1.15 c1ccc(c(c1)CO)O TS32604 [0,1,0,0,0,0|0,0,2]=3 1027 B9R1.15 c1ccc(c(c1)CO)S TS37394 [0,1,0,0,0,0|0,0,2]=3 1028 B9R1.15 c1ccc(c(c1)CS)Br TS19524 [0,1,0,0,0,0|0,1,1]=3 1029 B9R1.15 c1ccc(c(c1)CS)Cl TS42000 [0,1,0,0,0,0|0,1,1]=3 1030 B9R1.15 c1ccc(c(c1)CS)F TS06685 [0,1,0,0,0,0|0,1,1]=3 1031 B9R1.15 c1ccc(c(c1)NN)Br TS08822 [0,1,0,0,0,0|2,0,0]=3 1032 B9R1.15 c1ccc(c(c1)NN)Br TS65388 [0,1,0,0,0,0|2,0,0]=3 1033 B9R1.15 c1ccc(c(c1)NN)F TS01033 [0,1,0,0,0,0|2,0,0]=3 1034 B9R1.15 c1ccc(c(c1)NN)F TS01034 [0,1,0,0,0,0|2,0,0]=3 1035 B9R1.15 c1ccc(c(c1)O)[Hg]Cl TS77784 [0,1,0,0,0,0|2,0,0]=3 1036 B9R1.15 c1cnc(c(n1)C=O)Cl TS66006 [0,1,0,0,0,0|2,0,0]=3 1037 B9R1.15 c1cnc(c(n1)C=O)N TS85705 [0,1,0,0,0,0|2,0,0]=3 1038 B9R1.15 c1cncc(c1Br)C#N TS09573 [0,1,0,0,0,0|2,0,1]=4 1039 B9R1.15 c1cncc(c1Br)C=O TS09580 [0,1,0,0,0,0|1,0,0]=2 1040 B9R1.15 c1cncc(c1C#N)Br TS65919 [0,1,0,0,0,0|2,0,1]=4 1041 B9R1.15 c1cncc(c1C#N)F TS04892 [0,1,0,0,0,0|2,0,1]=4 1042 B9R1.15 c1cncc(c1C#N)I TS52931 [0,1,0,0,0,0|2,0,1]=4 1043 B9R1.15 c1cncc(c1C#N)N TS65856 [0,1,0,0,0,0|2,0,1]=4 1044 B9R1.15 c1cncc(c1C=O)Br TS48819 [0,1,0,0,0,0|1,0,0]=2 1045 B9R1.15 c1cncc(c1C=O)Cl TS02716 [0,1,0,0,0,0|1,0,0]=2 1046 B9R1.15 c1cncc(c1C=O)F TS36047 [0,1,0,0,0,0|1,0,0]=2 1047 B9R1.15 c1cncc(c1C=O)N TS32500 [0,1,0,0,0,0|1,0,0]=2 1048 B9R1.15 c1cncc(c1C=O)O TS02800 [0,1,0,0,0,0|1,0,0]=2 1049 B9R1.15 c1cncc(c1CO)Br TS87802 [0,1,0,0,0,0|1,0,2]=4 1050 B9R1.15 c1cncc(c1CO)F TS90447 [0,1,0,0,0,0|1,0,2]=4 1051 B9R1.15 c1cncc(c1CO)N TS05021 [0,1,0,0,0,0|1,0,2]=4 1052 B9R1.15 c1cncc(c1CO)O TS05089 [0,1,0,0,0,0|1,0,2]=4 1053 B9R1.15 c1cncc(c1Cl)C#N TS71034 [0,1,0,0,0,0|2,0,1]=4 1054 B9R1.15 c1cncc(c1Cl)C=O TS09675 [0,1,0,0,0,0|1,0,0]=2 1055 B9R1.15 c1cncc(c1Cl)CO TS08032 [0,1,0,0,0,0|1,0,2]=4 1056 B9R1.15 c1cncc(c1F)C=O TS33163 [0,1,0,0,0,0|1,0,0]=2 1057 B9R1.15 c1cncc(c1I)C#N TS52929 [0,1,0,0,0,0|2,0,1]=4 1058 B9R1.15 c1cncc(c1N)C#N TS04779 [0,1,0,0,0,0|2,0,1]=4 1059 B9R1.15 c1cncc(c1N)C=O TS70883 [0,1,0,0,0,0|1,0,0]=2 1060 B9R1.15 c1cncc(c1N)CN TS09431 [0,1,0,0,0,0|2,0,1]=4 1061 B9R1.15 c1cncc(c1N)CO TS32608 [0,1,0,0,0,0|1,0,2]=4 1062 B7R0.1 C=CCCC=CC=C TS31784 [0,0,1,0,0,0|1,0,2]=4 1063 B7R0.1 CCC=CC=CC=O TS04199 [0,0,1,0,0,0|0,0,2]=3 1064 B7R0.3 COC(=O)C=CC=C TS31908 [0,0,1,0,0,0|3,0,0]=4 1065 B9R2.50 c1ccc2c(c1)CC2 TS04044 [0,0,0,1,0,0|1,0,1]=3 1066 B7R1.1 C#Cc1cccs1 TS59968 [0,0,0,0,1,0|2,0,1]=4 1067 B7R1.1 C#Cc1ccsc1 TS70562 [0,0,0,0,1,0|2,0,1]=4 1068 B7R1.1 C1C=C(CS1)C=O TS04454 [0,0,0,0,1,0|1,0,2]=4 1069 B7R1.1 C=Cn1ccnc1 TS03670 [0,0,0,0,1,0|3,0,0]=4 1070 B7R1.1 CCc1cc[nH]c1 TS03698 [0,0,0,0,1,0|2,0,1]=4 1071 B7R1.1 CCc1ccc[nH]1 TS03700 [0,0,0,0,1,0|2,0,1]=4 1072 B7R1.1 CCc1ccco1 TS31365 [0,0,0,0,1,0|2,0,1]=4 1073 B7R1.1 CCc1cccs1 TS04335 [0,0,0,0,1,0|2,0,1]=4 1074 B7R1.1 CCc1ccsc1 TS04333 [0,0,0,0,1,0|2,0,1]=4 1075 B7R1.1 CCn1cccc1 TS03701 [0,0,0,0,1,0|2,0,1]=4 1076 B7R1.1 COc1ccco1 TS03757 [0,0,0,0,1,0|3,0,0]=4 1077 B7R1.1 COc1cccs1 TS39279 [0,0,0,0,1,0|3,0,0]=4 1078 B7R1.1 COc1ccsc1 TS70649 [0,0,0,0,1,0|3,0,0]=4 1079 B7R1.1 CSc1cccs1 TS05614 [0,0,0,0,1,0|3,0,0]=4 1080 B7R1.1 CSc1ccsc1 TS05615 [0,0,0,0,1,0|3,0,0]=4 1081 B7R1.1 c1c(cn[nH]1)C=O TS00454 [0,0,0,0,1,0|2,0,0]=3 1082 B7R1.1 c1c(con1)C=O TS03745 [0,0,0,0,1,0|2,0,0]=3 1083 B7R1.1 c1c(nc[nH]1)C=O TS01483 [0,0,0,0,1,0|2,0,0]=3 1084 B7R1.1 c1c(nco1)C=O TS71269 [0,0,0,0,1,0|2,0,0]=3 1085 B7R1.1 c1c(ncs1)C=O TS01721 [0,0,0,0,1,0|2,0,0]=3 1086 B7R1.1 c1c(nn[nH]1)C=O TS00445 [0,0,0,0,1,0|3,0,0]=4 1087 B7R1.1 c1c(nns1)C=O TS32058 [0,0,0,0,1,0|3,0,0]=4 1088 B7R1.1 c1c(ocn1)C=O TS01172 [0,0,0,0,1,0|2,0,0]=3 1089 B7R1.1 c1c(scn1)C=O TS55509 [0,0,0,0,1,0|2,0,0]=3 1090 B7R1.1 c1c[nH]cc1C#N TS02038 [0,0,0,0,1,0|2,0,1]=4 1091 B7R1.1 c1c[nH]cc1C=O TS00457 [0,0,0,0,1,0|1,0,0]=2 1092 B7R1.1 c1c[nH]nc1C=O TS59363 [0,0,0,0,1,0|2,0,0]=3 1093 B7R1.1 c1cc([nH]c1)C#N TS01671 [0,0,0,0,1,0|2,0,1]=4 1094 B7R1.1 c1cc([nH]c1)C=O TS01672 [0,0,0,0,1,0|1,0,0]=2 1095 B7R1.1 c1cc([nH]c1)CN TS31377 [0,0,0,0,1,0|2,0,1]=4 1096 B7R1.1 c1cc(oc1)C#N TS71874 [0,0,0,0,1,0|2,0,1]=4 1097 B7R1.1 c1cc(oc1)C=O TS03712 [0,0,0,0,1,0|1,0,0]=2 1098 B7R1.1 c1cc(oc1)CN TS03749 [0,0,0,0,1,0|2,0,1]=4 1099 B7R1.1 c1cc(oc1)CO TS03766 [0,0,0,0,1,0|1,0,2]=4 1100 B7R1.1 c1cc(oc1)CS TS32087 [0,0,0,0,1,0|1,1,1]=4 1101 B7R1.1 c1cc(sc1)C#N TS65659 [0,0,0,0,1,0|2,0,1]=4 1102 B7R1.1 c1cc(sc1)C=O TS65660 [0,0,0,0,1,0|1,0,0]=2 1103 B7R1.1 c1cc(sc1)CCl TS01778 [0,0,0,0,1,0|2,0,1]=4 1104 B7R1.1 c1cc(sc1)CN TS65663 [0,0,0,0,1,0|2,0,1]=4 1105 B7R1.1 c1cc(sc1)CO TS32088 [0,0,0,0,1,0|1,0,2]=4 1106 B7R1.1 c1cc(sc1)CS TS05613 [0,0,0,0,1,0|1,1,1]=4 1107 B7R1.1 c1cc[c-](c1)C=O TS21602 [0,0,0,0,1,0|0,0,1]=2 1108 B7R1.1 c1cn(cn1)C=O TS03714 [0,0,0,0,1,0|2,0,0]=3 1109 B7R1.1 c1cn[nH]c1C=O TS85315 [0,0,0,0,1,0|2,0,0]=3 1110 B7R1.1 c1cnc([nH]1)C=O TS77140 [0,0,0,0,1,0|2,0,0]=3 1111 B7R1.1 c1cnoc1C=O TS03746 [0,0,0,0,1,0|2,0,0]=3 1112 B7R1.1 c1cnsc1C=O TS04385 [0,0,0,0,1,0|2,0,0]=3 1113 B7R1.1 c1coc(n1)C=O TS09404 [0,0,0,0,1,0|2,0,0]=3 1114 B7R1.1 c1cocc1C=O TS02781 [0,0,0,0,1,0|1,0,0]=2 1115 B7R1.1 c1cocc1CN TS31397 [0,0,0,0,1,0|2,0,1]=4 1116 B7R1.1 c1cocc1CN TS36795 [0,0,0,0,1,0|2,0,1]=4 1117 B7R1.1 c1cocc1CO TS02782 [0,0,0,0,1,0|1,0,2]=4 1118 B7R1.1 c1conc1C=O TS56203 [0,0,0,0,1,0|2,0,0]=3 1119 B7R1.1 c1csc(n1)C=O TS19605 [0,0,0,0,1,0|2,0,0]=3 1120 B7R1.1 c1csc(n1)C=O TS65653 [0,0,0,0,1,0|2,0,0]=3 1121 B7R1.1 c1cscc1C#N TS31806 [0,0,0,0,1,0|2,0,1]=4 1122 B7R1.1 c1cscc1C=O TS70719 [0,0,0,0,1,0|1,0,0]=2 1123 B7R1.1 c1cscc1CBr TS65954 [0,0,0,0,1,0|2,0,1]=4 1124 B7R1.1 c1cscc1CCl TS36736 [0,0,0,0,1,0|2,0,1]=4 1125 B7R1.1 c1cscc1CN TS86063 [0,0,0,0,1,0|2,0,1]=4 1126 B7R1.1 c1cscc1CO TS70716 [0,0,0,0,1,0|1,0,2]=4 1127 B7R1.1 c1nnc(o1)C=O TS03752 [0,0,0,0,1,0|3,0,0]=4 1128 B9R1.89 C1=CC=CC(C=C1)C#N TS04677 [0,0,0,0,0,1|1,0,2]=4 1129 B6R0.6 C(=CC=O)C=CBr TS11348 [1,0,1,0,0,0|1,0,0]=3 1130 B6R0.6 CC=CC=CC=O TS31368 [1,0,1,0,0,0|0,0,1]=3 1131 B6R0.1 C=CC(=O)OC=C TS03768 [1,0,1,0,0,0|1,0,0]=3 1132 B6R0.4 C=CC=CC(=O)O TS03760 [1,0,1,0,0,0|1,0,0]=3 1133 B6R0.9 C=C[Sb](C=C)C=C TS19500 [1,0,1,0,0,0|2,0,0]=4 1134 B6R0.9 C=C[SiH](C=C)C=C TS31860 [1,0,1,0,0,0|1,1,0]=4 1135 B6R1.1 C1CC=CC=C1 TS49690 [2,0,0,0,0,0|0,0,2]=4 1136 B6R1.1 c1cc[nH+]cc1 TS05076 [2,0,0,0,0,0|1,0,0]=3 1137 B6R1.1 c1cc[nH+]cc1 TS06368 [2,0,0,0,0,0|1,0,0]=3 1138 B6R1.1 c1cc[nH+]cc1 TS18771 [2,0,0,0,0,0|1,0,0]=3 1139 B6R1.1 c1cc[nH+]cc1 TS39933 [2,0,0,0,0,0|1,0,0]=3 1140 B6R1.1 c1cc[nH+]cc1 TS77092 [2,0,0,0,0,0|1,0,0]=3 1141 B6R1.1 c1ccccc1 TS03437 [2,0,0,0,0,0|0,0,0]=2 1142 B6R1.1 c1ccccc1 TS34696 [2,0,0,0,0,0|0,0,0]=2 1143 B6R1.1 c1ccccc1 TS83230 [2,0,0,0,0,0|0,0,0]=2 1144 B6R1.1 c1ccncc1 TS03813 [2,0,0,0,0,0|1,0,0]=3 1145 B6R1.1 c1ccncc1 TS13697 [2,0,0,0,0,0|1,0,0]=3 1146 B6R1.1 c1ccncc1 TS26725 [2,0,0,0,0,0|1,0,0]=3 1147 B6R1.1 c1ccncc1 TS39930 [2,0,0,0,0,0|1,0,0]=3 1148 B6R1.1 c1ccncc1 TS42102 [2,0,0,0,0,0|1,0,0]=3 1149 B6R1.1 c1ccncc1 TS59378 [2,0,0,0,0,0|1,0,0]=3 1150 B6R1.1 c1ccncc1 TS71658 [2,0,0,0,0,0|1,0,0]=3 1151 B6R1.1 c1ccncc1 TS78229 [2,0,0,0,0,0|1,0,0]=3 1152 B6R1.1 c1ccncc1 TS80042 [2,0,0,0,0,0|1,0,0]=3 1153 B6R1.1 c1ccnnc1 TS00218 [2,0,0,0,0,0|2,0,0]=4 1154 B6R1.1 c1cnccn1 TS09080 [2,0,0,0,0,0|2,0,0]=4 1155 B6R1.1 c1cncnc1 TS71665 [2,0,0,0,0,0|2,0,0]=4 1156 B8R0.4 CCCC=CC=CC=O TS36011 [0,1,1,0,0,0|0,0,2]=4 1157 B8R1.3 C1=CC(=O)C=CC1=O TS04136 [1,1,0,0,0,0|0,0,0]=2 1158 B8R1.3 C1=CC(=O)C=CC1=[OH+] TS75395 [1,1,0,0,0,0|0,0,0]=2 1159 B8R1.3 Cc1cc[n+](cc1)C TS25680 [1,1,0,0,0,0|1,0,1]=4 1160 B8R1.3 Cc1ccc(=O)[nH]c1 TS92956 [1,1,0,0,0,0|1,0,0]=3 1161 B8R1.3 Cc1ccc(=O)[nH]n1 TS88402 [1,1,0,0,0,0|2,0,0]=4 1162 B8R1.3 Cc1ccc(cc1)Br TS09620 [1,1,0,0,0,0|0,0,1]=3 1163 B8R1.3 Cc1ccc(cc1)C TS04096 [1,1,0,0,0,0|0,0,1]=3 1164 B8R1.3 Cc1ccc(cc1)C TS77016 [1,1,0,0,0,0|0,0,1]=3 1165 B8R1.3 Cc1ccc(cc1)Cl TS39593 [1,1,0,0,0,0|0,0,1]=3 1166 B8R1.3 Cc1ccc(cc1)F TS31829 [1,1,0,0,0,0|0,0,1]=3 1167 B8R1.3 Cc1ccc(cc1)I TS07804 [1,1,0,0,0,0|0,0,1]=3 1168 B8R1.3 Cc1ccc(cc1)I TS67797 [1,1,0,0,0,0|0,0,1]=3 1169 B8R1.3 Cc1ccc(cc1)N TS04112 [1,1,0,0,0,0|0,0,1]=3 1170 B8R1.3 Cc1ccc(cc1)N TS40127 [1,1,0,0,0,0|0,0,1]=3 1171 B8R1.3 Cc1ccc(cc1)O TS05157 [1,1,0,0,0,0|0,0,1]=3 1172 B8R1.3 Cc1ccc(cc1)O TS94395 [1,1,0,0,0,0|0,0,1]=3 1173 B8R1.3 Cc1ccc(cc1)P TS32593 [1,1,0,0,0,0|0,0,1]=3 1174 B8R1.3 Cc1ccc(cc1)S TS39763 [1,1,0,0,0,0|0,0,1]=3 1175 B8R1.3 Cc1ccc(cc1)[Si] TS04930 [1,1,0,0,0,0|0,0,1]=3 1176 B8R1.3 Cc1ccc(cn1)Br TS09799 [1,1,0,0,0,0|1,0,1]=4 1177 B8R1.3 Cc1ccc(cn1)Cl TS71507 [1,1,0,0,0,0|1,0,1]=4 1178 B8R1.3 Cc1ccc(cn1)F TS03302 [1,1,0,0,0,0|1,0,1]=4 1179 B8R1.3 Cc1ccc(cn1)I TS71574 [1,1,0,0,0,0|1,0,1]=4 1180 B8R1.3 Cc1ccc(cn1)N TS65872 [1,1,0,0,0,0|1,0,1]=4 1181 B8R1.3 Cc1ccc(cn1)O TS71569 [1,1,0,0,0,0|1,0,1]=4 1182 B8R1.3 Cc1ccc(nc1)Br TS55127 [1,1,0,0,0,0|1,0,1]=4 1183 B8R1.3 Cc1ccc(nc1)C TS47280 [1,1,0,0,0,0|1,0,1]=4 1184 B8R1.3 Cc1ccc(nc1)Cl TS00914 [1,1,0,0,0,0|1,0,1]=4 1185 B8R1.3 Cc1ccc(nc1)F TS01010 [1,1,0,0,0,0|1,0,1]=4 1186 B8R1.3 Cc1ccc(nc1)N TS07049 [1,1,0,0,0,0|1,0,1]=4 1187 B8R1.3 Cc1ccc(nc1)N TS47444 [1,1,0,0,0,0|1,0,1]=4 1188 B8R1.3 Cc1ccc(nc1)O TS01053 [1,1,0,0,0,0|1,0,1]=4 1189 B8R1.3 Cc1ccc(nc1)S TS05105 [1,1,0,0,0,0|1,0,1]=4 1190 B8R1.3 Cc1ccn(=O)cc1 TS09774 [1,1,0,0,0,0|1,0,0]=3 1191 B8R1.3 c1c(cnc(=O)[nH]1)I TS01050 [1,1,0,0,0,0|2,0,0]=4 1192 B8R1.3 c1c[n+](ccc1F)[O-] TS87895 [1,1,0,0,0,0|1,0,1]=4 1193 B8R1.3 c1c[n+](ccc1O)[O-] TS04235 [1,1,0,0,0,0|1,0,1]=4 1194 B8R1.3 c1cc(=S)[nH]cc1N TS36143 [1,1,0,0,0,0|1,1,0]=4 1195 B8R1.3 c1cc(ccc1Br)Br TS07885 [1,1,0,0,0,0|1,0,0]=3 1196 B8R1.3 c1cc(ccc1Br)I TS00413 [1,1,0,0,0,0|1,0,0]=3 1197 B8R1.3 c1cc(ccc1Cl)Br TS09601 [1,1,0,0,0,0|1,0,0]=3 1198 B8R1.3 c1cc(ccc1Cl)Cl TS40485 [1,1,0,0,0,0|1,0,0]=3 1199 B8R1.3 c1cc(ccc1Cl)I TS64993 [1,1,0,0,0,0|1,0,0]=3 1200 B8R1.3 c1cc(ccc1Cl)[Zn+] TS59235 [1,1,0,0,0,0|1,0,0]=3 1201 B8R1.3 c1cc(ccc1F)Br TS09602 [1,1,0,0,0,0|1,0,0]=3 1202 B8R1.3 c1cc(ccc1F)Cl TS09203 [1,1,0,0,0,0|1,0,0]=3 1203 B8R1.3 c1cc(ccc1F)F TS59891 [1,1,0,0,0,0|1,0,0]=3 1204 B8R1.3 c1cc(ccc1F)I TS39508 [1,1,0,0,0,0|1,0,0]=3 1205 B8R1.3 c1cc(ccc1F)S TS05333 [1,1,0,0,0,0|0,1,0]=3 1206 B8R1.3 c1cc(ccc1F)S TS12288 [1,1,0,0,0,0|0,1,0]=3 1207 B8R1.3 c1cc(ccc1I)I TS46809 [1,1,0,0,0,0|1,0,0]=3 1208 B8R1.3 c1cc(ccc1N)Br TS70992 [1,1,0,0,0,0|1,0,0]=3 1209 B8R1.3 c1cc(ccc1N)Cl TS42659 [1,1,0,0,0,0|1,0,0]=3 1210 B8R1.3 c1cc(ccc1N)Cl TS71059 [1,1,0,0,0,0|1,0,0]=3 1211 B8R1.3 c1cc(ccc1N)F TS71137 [1,1,0,0,0,0|1,0,0]=3 1212 B8R1.3 c1cc(ccc1N)I TS71193 [1,1,0,0,0,0|1,0,0]=3 1213 B8R1.3 c1cc(ccc1N)N TS38978 [1,1,0,0,0,0|1,0,0]=3 1214 B8R1.3 c1cc(ccc1N)O TS07145 [1,1,0,0,0,0|0,0,1]=3 1215 B8R1.3 c1cc(ccc1N)O TS59709 [1,1,0,0,0,0|0,0,1]=3 1216 B8R1.3 c1cc(ccc1N)S TS39734 [1,1,0,0,0,0|0,1,0]=3 1217 B8R1.3 c1cc(ccc1O)Cl TS36377 [1,1,0,0,0,0|0,0,1]=3 1218 B8R1.3 c1cc(ccc1O)Cl TS40947 [1,1,0,0,0,0|0,0,1]=3 1219 B8R1.3 c1cc(ccc1O)F TS33165 [1,1,0,0,0,0|0,0,1]=3 1220 B8R1.3 c1cc(ccc1O)I TS59518 [1,1,0,0,0,0|0,0,1]=3 1221 B8R1.3 c1cc(ccc1O)O TS01676 [1,1,0,0,0,0|0,0,1]=3 1222 B8R1.3 c1cc(ccc1O)O TS02292 [1,1,0,0,0,0|0,0,1]=3 1223 B8R1.3 c1cc(ccc1O)O TS24537 [1,1,0,0,0,0|0,0,1]=3 1224 B8R1.3 c1cc(ccc1O)S TS36138 [1,1,0,0,0,0|0,0,1]=3 1225 B8R1.3 c1cc(ccc1S)Br TS39741 [1,1,0,0,0,0|0,1,0]=3 1226 B8R1.3 c1cc(ccc1S)Cl TS07052 [1,1,0,0,0,0|0,1,0]=3 1227 B8R1.3 c1cc(ccc1[Zn+])Br TS64616 [1,1,0,0,0,0|1,0,0]=3 1228 B8R1.3 c1cc(n[nH]c1=O)Cl TS55572 [1,1,0,0,0,0|2,0,0]=4 1229 B8R1.3 c1cc(ncc1Br)Br TS25985 [1,1,0,0,0,0|2,0,0]=4 1230 B8R1.3 c1cc(ncc1Br)Cl TS71413 [1,1,0,0,0,0|2,0,0]=4 1231 B8R1.3 c1cc(ncc1Br)F TS71426 [1,1,0,0,0,0|2,0,0]=4 1232 B8R1.3 c1cc(ncc1Br)I TS09786 [1,1,0,0,0,0|2,0,0]=4 1233 B8R1.3 c1cc(ncc1Br)N TS47431 [1,1,0,0,0,0|2,0,0]=4 1234 B8R1.3 c1cc(ncc1Br)N TS90623 [1,1,0,0,0,0|2,0,0]=4 1235 B8R1.3 c1cc(ncc1Br)O TS09781 [1,1,0,0,0,0|1,0,1]=4 1236 B8R1.3 c1cc(ncc1Cl)Br TS55123 [1,1,0,0,0,0|2,0,0]=4 1237 B8R1.3 c1cc(ncc1Cl)Cl TS00666 [1,1,0,0,0,0|2,0,0]=4 1238 B8R1.3 c1cc(ncc1Cl)F TS71487 [1,1,0,0,0,0|2,0,0]=4 1239 B8R1.3 c1cc(ncc1Cl)I TS71498 [1,1,0,0,0,0|2,0,0]=4 1240 B8R1.3 c1cc(ncc1Cl)N TS00778 [1,1,0,0,0,0|2,0,0]=4 1241 B8R1.3 c1cc(ncc1Cl)O TS71496 [1,1,0,0,0,0|1,0,1]=4 1242 B8R1.3 c1cc(ncc1F)Br TS08342 [1,1,0,0,0,0|2,0,0]=4 1243 B8R1.3 c1cc(ncc1F)Cl TS85452 [1,1,0,0,0,0|2,0,0]=4 1244 B8R1.3 c1cc(ncc1F)F TS47260 [1,1,0,0,0,0|2,0,0]=4 1245 B8R1.3 c1cc(ncc1F)I TS50245 [1,1,0,0,0,0|2,0,0]=4 1246 B8R1.3 c1cc(ncc1F)N TS00788 [1,1,0,0,0,0|2,0,0]=4 1247 B8R1.3 c1cc(ncc1F)N TS85448 [1,1,0,0,0,0|2,0,0]=4 1248 B8R1.3 c1cc(ncc1F)O TS71538 [1,1,0,0,0,0|1,0,1]=4 1249 B8R1.3 c1cc(ncc1I)Br TS08347 [1,1,0,0,0,0|2,0,0]=4 1250 B8R1.3 c1cc(ncc1I)Cl TS55251 [1,1,0,0,0,0|2,0,0]=4 1251 B8R1.3 c1cc(ncc1I)F TS85441 [1,1,0,0,0,0|2,0,0]=4 1252 B8R1.3 c1cc(ncc1I)I TS59927 [1,1,0,0,0,0|2,0,0]=4 1253 B8R1.3 c1cc(ncc1I)N TS47435 [1,1,0,0,0,0|2,0,0]=4 1254 B8R1.3 c1cc(ncc1I)O TS60294 [1,1,0,0,0,0|1,0,1]=4 1255 B8R1.3 c1cc(ncc1N)Br TS65865 [1,1,0,0,0,0|2,0,0]=4 1256 B8R1.3 c1cc(ncc1N)Cl TS71356 [1,1,0,0,0,0|2,0,0]=4 1257 B8R1.3 c1cc(ncc1N)F TS01234 [1,1,0,0,0,0|2,0,0]=4 1258 B8R1.3 c1cc(ncc1N)I TS71363 [1,1,0,0,0,0|2,0,0]=4 1259 B8R1.3 c1cc(ncc1N)N TS47239 [1,1,0,0,0,0|2,0,0]=4 1260 B8R1.3 c1cc(ncc1N)N TS47240 [1,1,0,0,0,0|2,0,0]=4 1261 B8R1.3 c1cc(ncc1N)O TS07283 [1,1,0,0,0,0|1,0,1]=4 1262 B8R1.3 c1cc(ncc1N)O TS71362 [1,1,0,0,0,0|1,0,1]=4 1263 B8R1.3 c1cc(ncc1O)Br TS08346 [1,1,0,0,0,0|1,0,1]=4 1264 B8R1.3 c1cc(ncc1O)Cl TS55249 [1,1,0,0,0,0|1,0,1]=4 1265 B8R1.3 c1cc(ncc1O)F TS01000 [1,1,0,0,0,0|1,0,1]=4 1266 B8R1.3 c1cc(ncc1O)I TS23214 [1,1,0,0,0,0|1,0,1]=4 1267 B8R1.3 c1cc(ncc1O)N TS00790 [1,1,0,0,0,0|1,0,1]=4 1268 B8R1.3 c1cc(ncc1O)O TS47263 [1,1,0,0,0,0|1,0,1]=4 1269 B8R1.3 c1cn(=O)ccc1Cl TS05502 [1,1,0,0,0,0|1,0,0]=3 1270 B8R1.4 C[n+]1cccc(c1)Br TS74567 [1,1,0,0,0,0|1,0,1]=4 1271 B8R1.4 Cc1cc(=O)[nH]nc1 TS31816 [1,1,0,0,0,0|2,0,0]=4 1272 B8R1.4 Cc1cc(ccn1)Br TS20656 [1,1,0,0,0,0|1,0,1]=4 1273 B8R1.4 Cc1cc(ccn1)Br TS85446 [1,1,0,0,0,0|1,0,1]=4 1274 B8R1.4 Cc1cc(ccn1)Cl TS42660 [1,1,0,0,0,0|1,0,1]=4 1275 B8R1.4 Cc1cc(ccn1)Cl TS71029 [1,1,0,0,0,0|1,0,1]=4 1276 B8R1.4 Cc1cc(ccn1)F TS04247 [1,1,0,0,0,0|1,0,1]=4 1277 B8R1.4 Cc1cc(ccn1)I TS22520 [1,1,0,0,0,0|1,0,1]=4 1278 B8R1.4 Cc1cc(ccn1)N TS93456 [1,1,0,0,0,0|1,0,1]=4 1279 B8R1.4 Cc1cc(ccn1)O TS03105 [1,1,0,0,0,0|1,0,1]=4 1280 B8R1.4 Cc1cc(cnc1)Br TS65935 [1,1,0,0,0,0|1,0,1]=4 1281 B8R1.4 Cc1cc(cnc1)C TS31757 [1,1,0,0,0,0|1,0,1]=4 1282 B8R1.4 Cc1cc(cnc1)Cl TS66000 [1,1,0,0,0,0|1,0,1]=4 1283 B8R1.4 Cc1cc(cnc1)F TS70587 [1,1,0,0,0,0|1,0,1]=4 1284 B8R1.4 Cc1cc(cnc1)N TS02653 [1,1,0,0,0,0|1,0,1]=4 1285 B8R1.4 Cc1cc(cnc1)O TS70616 [1,1,0,0,0,0|1,0,1]=4 1286 B8R1.4 Cc1cc[nH]c(=O)n1 TS87771 [1,1,0,0,0,0|2,0,0]=4 1287 B8R1.4 Cc1cccc(c1)Br TS39711 [1,1,0,0,0,0|0,0,1]=3 1288 B8R1.4 Cc1cccc(c1)C TS04101 [1,1,0,0,0,0|0,0,1]=3 1289 B8R1.4 Cc1cccc(c1)Cl TS36194 [1,1,0,0,0,0|0,0,1]=3 1290 B8R1.4 Cc1cccc(c1)F TS31827 [1,1,0,0,0,0|0,0,1]=3 1291 B8R1.4 Cc1cccc(c1)I TS49342 [1,1,0,0,0,0|0,0,1]=3 1292 B8R1.4 Cc1cccc(c1)N TS04111 [1,1,0,0,0,0|0,0,1]=3 1293 B8R1.4 Cc1cccc(c1)N TS40126 [1,1,0,0,0,0|0,0,1]=3 1294 B8R1.4 Cc1cccc(c1)O TS31767 [1,1,0,0,0,0|0,0,1]=3 1295 B8R1.4 Cc1cccc(c1)S TS05038 [1,1,0,0,0,0|0,0,1]=3 1296 B8R1.4 Cc1cccc(n1)Br TS08371 [1,1,0,0,0,0|1,0,1]=4 1297 B8R1.4 Cc1cccc(n1)Br TS94756 [1,1,0,0,0,0|1,0,1]=4 1298 B8R1.4 Cc1cccc(n1)C TS60248 [1,1,0,0,0,0|1,0,1]=4 1299 B8R1.4 Cc1cccc(n1)Cl TS00936 [1,1,0,0,0,0|1,0,1]=4 1300 B8R1.4 Cc1cccc(n1)F TS55370 [1,1,0,0,0,0|1,0,1]=4 1301 B8R1.4 Cc1cccc(n1)I TS59623 [1,1,0,0,0,0|1,0,1]=4 1302 B8R1.4 Cc1cccc(n1)N TS47459 [1,1,0,0,0,0|1,0,1]=4 1303 B8R1.4 Cc1cccc(n1)O TS01270 [1,1,0,0,0,0|1,0,1]=4 1304 B8R1.4 Cc1cccc(n1)S TS05106 [1,1,0,0,0,0|1,0,1]=4 1305 B8R1.4 Cc1cccn(=O)c1 TS02882 [1,1,0,0,0,0|1,0,0]=3 1306 B8R1.4 Cc1ccnc(c1)Br TS08333 [1,1,0,0,0,0|1,0,1]=4 1307 B8R1.4 Cc1ccnc(c1)C TS07700 [1,1,0,0,0,0|1,0,1]=4 1308 B8R1.4 Cc1ccnc(c1)Cl TS55236 [1,1,0,0,0,0|1,0,1]=4 1309 B8R1.4 Cc1ccnc(c1)F TS85429 [1,1,0,0,0,0|1,0,1]=4 1310 B8R1.4 Cc1ccnc(c1)I TS33096 [1,1,0,0,0,0|1,0,1]=4 1311 B8R1.4 Cc1ccnc(c1)O TS01045 [1,1,0,0,0,0|1,0,1]=4 1312 B8R1.4 c1c([nH]cnc1=O)S TS05324 [1,1,0,0,0,0|2,0,0]=4 1313 B8R1.4 c1c(cn[nH]c1=O)I TS87733 [1,1,0,0,0,0|2,0,0]=4 1314 B8R1.4 c1c(cn[nH]c1=O)N TS87794 [1,1,0,0,0,0|2,0,0]=4 1315 B8R1.4 c1c(cncc1Br)Br TS02580 [1,1,0,0,0,0|2,0,0]=4 1316 B8R1.4 c1c(cncc1Br)Cl TS85436 [1,1,0,0,0,0|2,0,0]=4 1317 B8R1.4 c1c(cncc1Br)F TS16987 [1,1,0,0,0,0|2,0,0]=4 1318 B8R1.4 c1c(cncc1Br)N TS09813 [1,1,0,0,0,0|2,0,0]=4 1319 B8R1.4 c1c(cncc1Br)O TS65929 [1,1,0,0,0,0|1,0,1]=4 1320 B8R1.4 c1c(cncc1Cl)Cl TS65794 [1,1,0,0,0,0|2,0,0]=4 1321 B8R1.4 c1c(cncc1Cl)F TS65996 [1,1,0,0,0,0|2,0,0]=4 1322 B8R1.4 c1c(cncc1Cl)N TS02649 [1,1,0,0,0,0|2,0,0]=4 1323 B8R1.4 c1c(cncc1Cl)O TS03267 [1,1,0,0,0,0|1,0,1]=4 1324 B8R1.4 c1c(cncc1F)N TS16742 [1,1,0,0,0,0|2,0,0]=4 1325 B8R1.4 c1c(cncc1F)N TS85434 [1,1,0,0,0,0|2,0,0]=4 1326 B8R1.4 c1c(cncc1F)O TS70584 [1,1,0,0,0,0|1,0,1]=4 1327 B8R1.4 c1c(cncc1I)Br TS65930 [1,1,0,0,0,0|2,0,0]=4 1328 B8R1.4 c1c(cncc1I)Cl TS57281 [1,1,0,0,0,0|2,0,0]=4 1329 B8R1.4 c1c(cncc1I)F TS50246 [1,1,0,0,0,0|2,0,0]=4 1330 B8R1.4 c1c(cncc1I)I TS87998 [1,1,0,0,0,0|2,0,0]=4 1331 B8R1.4 c1c(cncc1I)N TS02651 [1,1,0,0,0,0|2,0,0]=4 1332 B8R1.4 c1c(cncc1N)N TS02192 [1,1,0,0,0,0|2,0,0]=4 1333 B8R1.4 c1c(cncc1O)N TS31814 [1,1,0,0,0,0|1,0,1]=4 1334 B8R1.4 c1c(cncc1O)O TS02592 [1,1,0,0,0,0|1,0,1]=4 1335 B8R1.4 c1c[nH]c(=O)[nH]c1=O TS04273 [1,1,0,0,0,0|2,0,0]=4 1336 B8R1.4 c1c[nH]c(=O)[nH]c1=O TS04421 [1,1,0,0,0,0|2,0,0]=4 1337 B8R1.4 c1c[nH]c(=O)nc1N TS01407 [1,1,0,0,0,0|2,0,0]=4 1338 B8R1.4 c1c[nH]c(=S)[nH]c1=O TS65665 [1,1,0,0,0,0|2,0,0]=4 1339 B8R1.4 c1c[nH]c(=S)[nH]c1=O TS93289 [1,1,0,0,0,0|2,0,0]=4 1340 B8R1.4 c1cc(cc(c1)Br)Br TS46796 [1,1,0,0,0,0|1,0,0]=3 1341 B8R1.4 c1cc(cc(c1)Br)Cl TS00027 [1,1,0,0,0,0|1,0,0]=3 1342 B8R1.4 c1cc(cc(c1)Br)F TS65943 [1,1,0,0,0,0|1,0,0]=3 1343 B8R1.4 c1cc(cc(c1)Br)N TS60009 [1,1,0,0,0,0|1,0,0]=3 1344 B8R1.4 c1cc(cc(c1)Br)O TS65958 [1,1,0,0,0,0|0,0,1]=3 1345 B8R1.4 c1cc(cc(c1)Br)S TS09503 [1,1,0,0,0,0|0,1,0]=3 1346 B8R1.4 c1cc(cc(c1)Cl)Cl TS59887 [1,1,0,0,0,0|1,0,0]=3 1347 B8R1.4 c1cc(cc(c1)Cl)F TS08691 [1,1,0,0,0,0|1,0,0]=3 1348 B8R1.4 c1cc(cc(c1)Cl)N TS02027 [1,1,0,0,0,0|1,0,0]=3 1349 B8R1.4 c1cc(cc(c1)Cl)N TS42658 [1,1,0,0,0,0|1,0,0]=3 1350 B8R1.4 c1cc(cc(c1)Cl)O TS02721 [1,1,0,0,0,0|0,0,1]=3 1351 B8R1.4 c1cc(cc(c1)Cl)S TS07051 [1,1,0,0,0,0|0,1,0]=3 1352 B8R1.4 c1cc(cc(c1)F)F TS07881 [1,1,0,0,0,0|1,0,0]=3 1353 B8R1.4 c1cc(cc(c1)F)N TS07389 [1,1,0,0,0,0|1,0,0]=3 1354 B8R1.4 c1cc(cc(c1)F)N TS70590 [1,1,0,0,0,0|1,0,0]=3 1355 B8R1.4 c1cc(cc(c1)F)O TS70601 [1,1,0,0,0,0|0,0,1]=3 1356 B8R1.4 c1cc(cc(c1)I)Br TS46926 [1,1,0,0,0,0|1,0,0]=3 1357 B8R1.4 c1cc(cc(c1)I)Cl TS26262 [1,1,0,0,0,0|1,0,0]=3 1358 B8R1.4 c1cc(cc(c1)I)F TS70597 [1,1,0,0,0,0|1,0,0]=3 1359 B8R1.4 c1cc(cc(c1)I)I TS65281 [1,1,0,0,0,0|1,0,0]=3 1360 B8R1.4 c1cc(cc(c1)I)N TS39444 [1,1,0,0,0,0|1,0,0]=3 1361 B8R1.4 c1cc(cc(c1)I)O TS49693 [1,1,0,0,0,0|0,0,1]=3 1362 B8R1.4 c1cc(cc(c1)N)N TS31777 [1,1,0,0,0,0|1,0,0]=3 1363 B8R1.4 c1cc(cc(c1)N)N TS38980 [1,1,0,0,0,0|1,0,0]=3 1364 B8R1.4 c1cc(cc(c1)N)N TS48030 [1,1,0,0,0,0|1,0,0]=3 1365 B8R1.4 c1cc(cc(c1)O)N TS07147 [1,1,0,0,0,0|0,0,1]=3 1366 B8R1.4 c1cc(cc(c1)O)N TS39704 [1,1,0,0,0,0|0,0,1]=3 1367 B8R1.4 c1cc(cc(c1)O)O TS04191 [1,1,0,0,0,0|0,0,1]=3 1368 B8R1.4 c1cc(cc(c1)S)F TS02772 [1,1,0,0,0,0|0,1,0]=3 1369 B8R1.4 c1cc(cc(c1)S)N TS05107 [1,1,0,0,0,0|0,1,0]=3 1370 B8R1.4 c1cc(cc(c1)S)O TS00159 [1,1,0,0,0,0|0,0,1]=3 1371 B8R1.4 c1cc(cc(c1)S)S TS06771 [1,1,0,0,0,0|0,1,0]=3 1372 B8R1.4 c1cc(cc(c1)[Zn+])Cl TS59236 [1,1,0,0,0,0|1,0,0]=3 1373 B8R1.4 c1cc(cn(=O)c1)Br TS45713 [1,1,0,0,0,0|1,0,0]=3 1374 B8R1.4 c1cc(cn(=O)c1)Cl TS05503 [1,1,0,0,0,0|1,0,0]=3 1375 B8R1.4 c1cc(cn(=O)c1)F TS65086 [1,1,0,0,0,0|1,0,0]=3 1376 B8R1.4 c1cc(cn(=O)c1)O TS04234 [1,1,0,0,0,0|1,0,0]=3 1377 B8R1.4 c1cc(nc(c1)Br)Br TS00699 [1,1,0,0,0,0|2,0,0]=4 1378 B8R1.4 c1cc(nc(c1)Br)Cl TS55142 [1,1,0,0,0,0|2,0,0]=4 1379 B8R1.4 c1cc(nc(c1)Br)F TS08361 [1,1,0,0,0,0|2,0,0]=4 1380 B8R1.4 c1cc(nc(c1)Br)N TS00798 [1,1,0,0,0,0|2,0,0]=4 1381 B8R1.4 c1cc(nc(c1)Br)O TS08364 [1,1,0,0,0,0|1,0,1]=4 1382 B8R1.4 c1cc(nc(c1)Cl)Cl TS34640 [1,1,0,0,0,0|2,0,0]=4 1383 B8R1.4 c1cc(nc(c1)Cl)F TS55260 [1,1,0,0,0,0|2,0,0]=4 1384 B8R1.4 c1cc(nc(c1)Cl)N TS00804 [1,1,0,0,0,0|2,0,0]=4 1385 B8R1.4 c1cc(nc(c1)Cl)O TS55264 [1,1,0,0,0,0|1,0,1]=4 1386 B8R1.4 c1cc(nc(c1)F)F TS47310 [1,1,0,0,0,0|2,0,0]=4 1387 B8R1.4 c1cc(nc(c1)F)N TS00806 [1,1,0,0,0,0|2,0,0]=4 1388 B8R1.4 c1cc(nc(c1)F)O TS32004 [1,1,0,0,0,0|1,0,1]=4 1389 B8R1.4 c1cc(nc(c1)I)Br TS54680 [1,1,0,0,0,0|2,0,0]=4 1390 B8R1.4 c1cc(nc(c1)I)Cl TS57280 [1,1,0,0,0,0|2,0,0]=4 1391 B8R1.4 c1cc(nc(c1)I)I TS07928 [1,1,0,0,0,0|2,0,0]=4 1392 B8R1.4 c1cc(nc(c1)I)N TS39789 [1,1,0,0,0,0|2,0,0]=4 1393 B8R1.4 c1cc(nc(c1)N)N TS00686 [1,1,0,0,0,0|2,0,0]=4 1394 B8R1.4 c1cc(nc(c1)N)N TS20354 [1,1,0,0,0,0|2,0,0]=4 1395 B8R1.4 c1cc(nc(c1)O)N TS00808 [1,1,0,0,0,0|1,0,1]=4 1396 B8R1.4 c1cc(nc(c1)O)O TS07388 [1,1,0,0,0,0|1,0,1]=4 1397 B8R1.4 c1cc(nc(c1)O)O TS47313 [1,1,0,0,0,0|1,0,1]=4 1398 B8R1.4 c1cc(nc(c1)S)S TS06879 [1,1,0,0,0,0|1,1,0]=4 1399 B8R1.4 c1cnc([nH]c1=O)N TS47400 [1,1,0,0,0,0|2,0,0]=4 1400 B8R1.4 c1cnc([nH]c1=O)N TS90232 [1,1,0,0,0,0|2,0,0]=4 1401 B8R1.4 c1cnc(cc1Br)Br TS47198 [1,1,0,0,0,0|2,0,0]=4 1402 B8R1.4 c1cnc(cc1Br)Cl TS85435 [1,1,0,0,0,0|2,0,0]=4 1403 B8R1.4 c1cnc(cc1Br)F TS16945 [1,1,0,0,0,0|2,0,0]=4 1404 B8R1.4 c1cnc(cc1Br)I TS54678 [1,1,0,0,0,0|2,0,0]=4 1405 B8R1.4 c1cnc(cc1Br)N TS47392 [1,1,0,0,0,0|2,0,0]=4 1406 B8R1.4 c1cnc(cc1Br)O TS70957 [1,1,0,0,0,0|1,0,1]=4 1407 B8R1.4 c1cnc(cc1Cl)Br TS55100 [1,1,0,0,0,0|2,0,0]=4 1408 B8R1.4 c1cnc(cc1Cl)Cl TS00617 [1,1,0,0,0,0|2,0,0]=4 1409 B8R1.4 c1cnc(cc1Cl)Cl TS85445 [1,1,0,0,0,0|2,0,0]=4 1410 B8R1.4 c1cnc(cc1Cl)F TS03044 [1,1,0,0,0,0|2,0,0]=4 1411 B8R1.4 c1cnc(cc1Cl)N TS00747 [1,1,0,0,0,0|2,0,0]=4 1412 B8R1.4 c1cnc(cc1Cl)O TS03047 [1,1,0,0,0,0|1,0,1]=4 1413 B8R1.4 c1cnc(cc1F)Br TS08322 [1,1,0,0,0,0|2,0,0]=4 1414 B8R1.4 c1cnc(cc1F)Cl TS55216 [1,1,0,0,0,0|2,0,0]=4 1415 B8R1.4 c1cnc(cc1F)F TS47221 [1,1,0,0,0,0|2,0,0]=4 1416 B8R1.4 c1cnc(cc1F)N TS00754 [1,1,0,0,0,0|2,0,0]=4 1417 B8R1.4 c1cnc(cc1F)O TS32002 [1,1,0,0,0,0|1,0,1]=4 1418 B8R1.4 c1cnc(cc1I)Br TS08326 [1,1,0,0,0,0|2,0,0]=4 1419 B8R1.4 c1cnc(cc1I)Cl TS55222 [1,1,0,0,0,0|2,0,0]=4 1420 B8R1.4 c1cnc(cc1I)F TS08421 [1,1,0,0,0,0|2,0,0]=4 1421 B8R1.4 c1cnc(cc1I)I TS63698 [1,1,0,0,0,0|2,0,0]=4 1422 B8R1.4 c1cnc(cc1I)N TS49694 [1,1,0,0,0,0|2,0,0]=4 1423 B8R1.4 c1cnc(cc1N)Br TS70872 [1,1,0,0,0,0|2,0,0]=4 1424 B8R1.4 c1cnc(cc1N)Cl TS75450 [1,1,0,0,0,0|2,0,0]=4 1425 B8R1.4 c1cnc(cc1N)Cl TS89130 [1,1,0,0,0,0|2,0,0]=4 1426 B8R1.4 c1cnc(cc1N)F TS01037 [1,1,0,0,0,0|2,0,0]=4 1427 B8R1.4 c1cnc(cc1N)N TS59371 [1,1,0,0,0,0|2,0,0]=4 1428 B8R1.4 c1cnc(cc1N)O TS02965 [1,1,0,0,0,0|1,0,1]=4 1429 B8R1.4 c1cnc(cc1N)O TS86931 [1,1,0,0,0,0|1,0,1]=4 1430 B8R1.4 c1cnc(cc1O)Br TS08324 [1,1,0,0,0,0|1,0,1]=4 1431 B8R1.4 c1cnc(cc1O)Cl TS55220 [1,1,0,0,0,0|1,0,1]=4 1432 B8R1.4 c1cnc(cc1O)F TS32003 [1,1,0,0,0,0|1,0,1]=4 1433 B8R1.4 c1cnc(cc1O)N TS47399 [1,1,0,0,0,0|1,0,1]=4 1434 B8R1.4 c1cnc(cc1O)O TS04243 [1,1,0,0,0,0|1,0,1]=4 1435 B8R1.5 C[n+]1ccccc1Cl TS08381 [1,1,0,0,0,0|1,0,1]=4 1436 B8R1.5 C[n+]1ccccc1Cl TS20654 [1,1,0,0,0,0|1,0,1]=4 1437 B8R1.5 Cc1c(cccn1)Br TS65908 [1,1,0,0,0,0|1,0,1]=4 1438 B8R1.5 Cc1c(cccn1)Cl TS65978 [1,1,0,0,0,0|1,0,1]=4 1439 B8R1.5 Cc1c(cccn1)F TS70573 [1,1,0,0,0,0|1,0,1]=4 1440 B8R1.5 Cc1c(cccn1)I TS02809 [1,1,0,0,0,0|1,0,1]=4 1441 B8R1.5 Cc1c(cccn1)N TS31778 [1,1,0,0,0,0|1,0,1]=4 1442 B8R1.5 Cc1c(cccn1)O TS87617 [1,1,0,0,0,0|1,0,1]=4 1443 B8R1.5 Cc1ccc[nH]c1=O TS55401 [1,1,0,0,0,0|1,0,0]=3 1444 B8R1.5 Cc1cccc[n+]1C TS25681 [1,1,0,0,0,0|1,0,1]=4 1445 B8R1.5 Cc1ccccc1Br TS00024 [1,1,0,0,0,0|0,0,1]=3 1446 B8R1.5 Cc1ccccc1C TS04099 [1,1,0,0,0,0|0,0,1]=3 1447 B8R1.5 Cc1ccccc1Cl TS36192 [1,1,0,0,0,0|0,0,1]=3 1448 B8R1.5 Cc1ccccc1F TS31828 [1,1,0,0,0,0|0,0,1]=3 1449 B8R1.5 Cc1ccccc1I TS49343 [1,1,0,0,0,0|0,0,1]=3 1450 B8R1.5 Cc1ccccc1N TS40130 [1,1,0,0,0,0|0,0,1]=3 1451 B8R1.5 Cc1ccccc1N TS46845 [1,1,0,0,0,0|0,0,1]=3 1452 B8R1.5 Cc1ccccc1O TS31768 [1,1,0,0,0,0|0,0,1]=3 1453 B8R1.5 Cc1ccccc1S TS05037 [1,1,0,0,0,0|0,0,1]=3 1454 B8R1.5 Cc1ccccn1=O TS00106 [1,1,0,0,0,0|1,0,0]=3 1455 B8R1.5 Cc1cccnc1Br TS08310 [1,1,0,0,0,0|1,0,1]=4 1456 B8R1.5 Cc1cccnc1C TS07903 [1,1,0,0,0,0|1,0,1]=4 1457 B8R1.5 Cc1cccnc1Cl TS55203 [1,1,0,0,0,0|1,0,1]=4 1458 B8R1.5 Cc1cccnc1F TS08402 [1,1,0,0,0,0|1,0,1]=4 1459 B8R1.5 Cc1cccnc1I TS01069 [1,1,0,0,0,0|1,0,1]=4 1460 B8R1.5 Cc1cccnc1N TS00720 [1,1,0,0,0,0|1,0,1]=4 1461 B8R1.5 Cc1cccnc1N TS01794 [1,1,0,0,0,0|1,0,1]=4 1462 B8R1.5 Cc1cccnc1O TS31800 [1,1,0,0,0,0|1,0,1]=4 1463 B8R1.5 Cc1cccnc1[Zn+] TS26092 [1,1,0,0,0,0|1,0,1]=4 1464 B8R1.5 Cc1ccn[nH]c1=O TS70611 [1,1,0,0,0,0|2,0,0]=4 1465 B8R1.5 Cc1ccncc1Br TS09458 [1,1,0,0,0,0|1,0,1]=4 1466 B8R1.5 Cc1ccncc1C TS00124 [1,1,0,0,0,0|1,0,1]=4 1467 B8R1.5 Cc1ccncc1Cl TS65986 [1,1,0,0,0,0|1,0,1]=4 1468 B8R1.5 Cc1ccncc1F TS70582 [1,1,0,0,0,0|1,0,1]=4 1469 B8R1.5 Cc1ccncc1N TS02641 [1,1,0,0,0,0|1,0,1]=4 1470 B8R1.5 Cc1ccncc1O TS03183 [1,1,0,0,0,0|1,0,1]=4 1471 B8R1.5 Cc1cnccc1Br TS39326 [1,1,0,0,0,0|1,0,1]=4 1472 B8R1.5 Cc1cnccc1Br TS88793 [1,1,0,0,0,0|1,0,1]=4 1473 B8R1.5 Cc1cnccc1F TS71122 [1,1,0,0,0,0|1,0,1]=4 1474 B8R1.5 Cc1cnccc1N TS70892 [1,1,0,0,0,0|1,0,1]=4 1475 B8R1.5 Cc1cnccc1O TS70666 [1,1,0,0,0,0|1,0,1]=4 1476 B8R1.5 Cn1ccccc1=O TS31799 [1,1,0,0,0,0|1,0,0]=3 1477 B8R1.5 Cn1ccccc1=S TS05102 [1,1,0,0,0,0|1,0,1]=4 1478 B8R1.5 c1c(c(=O)nc[nH]1)O TS03331 [1,1,0,0,0,0|2,0,0]=4 1479 B8R1.5 c1c[nH]cc(c1=O)I TS23215 [1,1,0,0,0,0|1,0,0]=3 1480 B8R1.5 c1cc(c(=O)oc1)O TS00155 [1,1,0,0,0,0|1,0,0]=3 1481 B8R1.5 c1cc(c(=S)[nH]c1)N TS36142 [1,1,0,0,0,0|1,1,0]=4 1482 B8R1.5 c1cc(c(nc1)Br)Br TS47142 [1,1,0,0,0,0|2,0,0]=4 1483 B8R1.5 c1cc(c(nc1)Br)Cl TS08294 [1,1,0,0,0,0|2,0,0]=4 1484 B8R1.5 c1cc(c(nc1)Br)F TS08302 [1,1,0,0,0,0|2,0,0]=4 1485 B8R1.5 c1cc(c(nc1)Br)N TS02623 [1,1,0,0,0,0|2,0,0]=4 1486 B8R1.5 c1cc(c(nc1)Br)N TS20796 [1,1,0,0,0,0|2,0,0]=4 1487 B8R1.5 c1cc(c(nc1)Br)O TS08304 [1,1,0,0,0,0|1,0,1]=4 1488 B8R1.5 c1cc(c(nc1)Cl)Br TS16857 [1,1,0,0,0,0|2,0,0]=4 1489 B8R1.5 c1cc(c(nc1)Cl)Cl TS47154 [1,1,0,0,0,0|2,0,0]=4 1490 B8R1.5 c1cc(c(nc1)Cl)F TS55193 [1,1,0,0,0,0|2,0,0]=4 1491 B8R1.5 c1cc(c(nc1)Cl)I TS55194 [1,1,0,0,0,0|2,0,0]=4 1492 B8R1.5 c1cc(c(nc1)Cl)N TS88773 [1,1,0,0,0,0|2,0,0]=4 1493 B8R1.5 c1cc(c(nc1)Cl)O TS05504 [1,1,0,0,0,0|1,0,1]=4 1494 B8R1.5 c1cc(c(nc1)F)Br TS16866 [1,1,0,0,0,0|2,0,0]=4 1495 B8R1.5 c1cc(c(nc1)F)Cl TS65972 [1,1,0,0,0,0|2,0,0]=4 1496 B8R1.5 c1cc(c(nc1)F)F TS00561 [1,1,0,0,0,0|2,0,0]=4 1497 B8R1.5 c1cc(c(nc1)F)I TS55327 [1,1,0,0,0,0|2,0,0]=4 1498 B8R1.5 c1cc(c(nc1)F)N TS02630 [1,1,0,0,0,0|2,0,0]=4 1499 B8R1.5 c1cc(c(nc1)F)N TS40702 [1,1,0,0,0,0|2,0,0]=4 1500 B8R1.5 c1cc(c(nc1)F)O TS55326 [1,1,0,0,0,0|1,0,1]=4 1501 B8R1.5 c1cc(c(nc1)I)Cl TS57282 [1,1,0,0,0,0|2,0,0]=4 1502 B8R1.5 c1cc(c(nc1)I)F TS70569 [1,1,0,0,0,0|2,0,0]=4 1503 B8R1.5 c1cc(c(nc1)I)I TS63699 [1,1,0,0,0,0|2,0,0]=4 1504 B8R1.5 c1cc(c(nc1)I)N TS02634 [1,1,0,0,0,0|2,0,0]=4 1505 B8R1.5 c1cc(c(nc1)I)O TS01068 [1,1,0,0,0,0|1,0,1]=4 1506 B8R1.5 c1cc(c(nc1)N)Br TS08286 [1,1,0,0,0,0|2,0,0]=4 1507 B8R1.5 c1cc(c(nc1)N)Cl TS47358 [1,1,0,0,0,0|2,0,0]=4 1508 B8R1.5 c1cc(c(nc1)N)F TS47362 [1,1,0,0,0,0|2,0,0]=4 1509 B8R1.5 c1cc(c(nc1)N)I TS47370 [1,1,0,0,0,0|2,0,0]=4 1510 B8R1.5 c1cc(c(nc1)N)N TS00550 [1,1,0,0,0,0|2,0,0]=4 1511 B8R1.5 c1cc(c(nc1)N)O TS07282 [1,1,0,0,0,0|1,0,1]=4 1512 B8R1.5 c1cc(c(nc1)N)O TS47366 [1,1,0,0,0,0|1,0,1]=4 1513 B8R1.5 c1cc(c(nc1)N)S TS36141 [1,1,0,0,0,0|1,1,0]=4 1514 B8R1.5 c1cc(c(nc1)O)Br TS09496 [1,1,0,0,0,0|1,0,1]=4 1515 B8R1.5 c1cc(c(nc1)O)Cl TS65974 [1,1,0,0,0,0|1,0,1]=4 1516 B8R1.5 c1cc(c(nc1)O)F TS70564 [1,1,0,0,0,0|1,0,1]=4 1517 B8R1.5 c1cc(c(nc1)O)N TS31820 [1,1,0,0,0,0|1,0,1]=4 1518 B8R1.5 c1cc(c(nc1)O)O TS04242 [1,1,0,0,0,0|1,0,1]=4 1519 B8R1.5 c1cc(c(nc1)S)O TS05265 [1,1,0,0,0,0|1,0,1]=4 1520 B8R1.5 c1cc[n+](c(c1)O)[O-] TS93221 [1,1,0,0,0,0|1,0,1]=4 1521 B8R1.5 c1cc[n+](c(c1)S)[O-] TS93094 [1,1,0,0,0,0|1,0,1]=4 1522 B8R1.5 c1ccc(c(c1)Br)Br TS46780 [1,1,0,0,0,0|1,0,0]=3 1523 B8R1.5 c1ccc(c(c1)Br)I TS65287 [1,1,0,0,0,0|1,0,0]=3 1524 B8R1.5 c1ccc(c(c1)Cl)Br TS00021 [1,1,0,0,0,0|1,0,0]=3 1525 B8R1.5 c1ccc(c(c1)Cl)Cl TS40486 [1,1,0,0,0,0|1,0,0]=3 1526 B8R1.5 c1ccc(c(c1)Cl)I TS26261 [1,1,0,0,0,0|1,0,0]=3 1527 B8R1.5 c1ccc(c(c1)Cl)[Zn+] TS59237 [1,1,0,0,0,0|1,0,0]=3 1528 B8R1.5 c1ccc(c(c1)F)Br TS46916 [1,1,0,0,0,0|1,0,0]=3 1529 B8R1.5 c1ccc(c(c1)F)Cl TS02147 [1,1,0,0,0,0|1,0,0]=3 1530 B8R1.5 c1ccc(c(c1)F)F TS07875 [1,1,0,0,0,0|1,0,0]=3 1531 B8R1.5 c1ccc(c(c1)F)I TS65430 [1,1,0,0,0,0|1,0,0]=3 1532 B8R1.5 c1ccc(c(c1)F)S TS46406 [1,1,0,0,0,0|0,1,0]=3 1533 B8R1.5 c1ccc(c(c1)I)I TS65275 [1,1,0,0,0,0|1,0,0]=3 1534 B8R1.5 c1ccc(c(c1)N)Br TS20655 [1,1,0,0,0,0|1,0,0]=3 1535 B8R1.5 c1ccc(c(c1)N)Br TS55149 [1,1,0,0,0,0|1,0,0]=3 1536 B8R1.5 c1ccc(c(c1)N)F TS39663 [1,1,0,0,0,0|1,0,0]=3 1537 B8R1.5 c1ccc(c(c1)N)I TS01078 [1,1,0,0,0,0|1,0,0]=3 1538 B8R1.5 c1ccc(c(c1)N)N TS31770 [1,1,0,0,0,0|1,0,0]=3 1539 B8R1.5 c1ccc(c(c1)N)N TS38979 [1,1,0,0,0,0|1,0,0]=3 1540 B8R1.5 c1ccc(c(c1)N)N TS48029 [1,1,0,0,0,0|1,0,0]=3 1541 B8R1.5 c1ccc(c(c1)N)O TS00817 [1,1,0,0,0,0|0,0,1]=3 1542 B8R1.5 c1ccc(c(c1)N)O TS07143 [1,1,0,0,0,0|0,0,1]=3 1543 B8R1.5 c1ccc(c(c1)N)O TS76832 [1,1,0,0,0,0|0,0,1]=3 1544 B8R1.5 c1ccc(c(c1)N)S TS47467 [1,1,0,0,0,0|0,1,0]=3 1545 B8R1.5 c1ccc(c(c1)O)Br TS00855 [1,1,0,0,0,0|0,0,1]=3 1546 B8R1.5 c1ccc(c(c1)O)Cl TS36378 [1,1,0,0,0,0|0,0,1]=3 1547 B8R1.5 c1ccc(c(c1)O)F TS04282 [1,1,0,0,0,0|0,0,1]=3 1548 B8R1.5 c1ccc(c(c1)O)I TS49691 [1,1,0,0,0,0|0,0,1]=3 1549 B8R1.5 c1ccc(c(c1)O)O TS01670 [1,1,0,0,0,0|0,0,1]=3 1550 B8R1.5 c1ccc(c(c1)O)S TS36136 [1,1,0,0,0,0|0,0,1]=3 1551 B8R1.5 c1ccc(c(c1)P)P TS06642 [1,1,0,0,0,0|1,0,0]=3 1552 B8R1.5 c1ccc(c(c1)S)Br TS50856 [1,1,0,0,0,0|0,1,0]=3 1553 B8R1.5 c1ccc(c(c1)S)Cl TS07050 [1,1,0,0,0,0|0,1,0]=3 1554 B8R1.5 c1ccc(c(c1)S)S TS06772 [1,1,0,0,0,0|0,1,0]=3 1555 B8R1.5 c1ccn(=O)c(c1)Br TS07709 [1,1,0,0,0,0|1,0,0]=3 1556 B8R1.5 c1ccn(=O)c(c1)Br TS43892 [1,1,0,0,0,0|1,0,0]=3 1557 B8R1.5 c1ccn(=O)c(c1)Cl TS42984 [1,1,0,0,0,0|1,0,0]=3 1558 B8R1.5 c1ccn(=O)c(c1)Cl TS85343 [1,1,0,0,0,0|1,0,0]=3 1559 B8R1.5 c1ccn(=O)c(c1)N TS04192 [1,1,0,0,0,0|1,0,0]=3 1560 B8R1.5 c1ccn(=O)c(c1)O TS04239 [1,1,0,0,0,0|1,0,0]=3 1561 B8R1.5 c1ccn(=O)c(c1)[S-] TS07545 [1,1,0,0,0,0|1,0,0]=3 1562 B8R1.5 c1cn[nH]c(=O)c1Cl TS90743 [1,1,0,0,0,0|2,0,0]=4 1563 B8R1.5 c1cncc(c1Br)Br TS02534 [1,1,0,0,0,0|2,0,0]=4 1564 B8R1.5 c1cncc(c1Br)Cl TS09572 [1,1,0,0,0,0|2,0,0]=4 1565 B8R1.5 c1cncc(c1Br)F TS88832 [1,1,0,0,0,0|2,0,0]=4 1566 B8R1.5 c1cncc(c1Br)I TS54679 [1,1,0,0,0,0|2,0,0]=4 1567 B8R1.5 c1cncc(c1Br)N TS65852 [1,1,0,0,0,0|2,0,0]=4 1568 B8R1.5 c1cncc(c1Br)O TS09582 [1,1,0,0,0,0|1,0,1]=4 1569 B8R1.5 c1cncc(c1Cl)Br TS52758 [1,1,0,0,0,0|2,0,0]=4 1570 B8R1.5 c1cncc(c1Cl)Br TS65918 [1,1,0,0,0,0|2,0,0]=4 1571 B8R1.5 c1cncc(c1Cl)Cl TS15363 [1,1,0,0,0,0|2,0,0]=4 1572 B8R1.5 c1cncc(c1Cl)Cl TS65745 [1,1,0,0,0,0|2,0,0]=4 1573 B8R1.5 c1cncc(c1Cl)I TS57279 [1,1,0,0,0,0|2,0,0]=4 1574 B8R1.5 c1cncc(c1Cl)N TS65854 [1,1,0,0,0,0|2,0,0]=4 1575 B8R1.5 c1cncc(c1Cl)O TS09640 [1,1,0,0,0,0|1,0,1]=4 1576 B8R1.5 c1cncc(c1F)Br TS09450 [1,1,0,0,0,0|2,0,0]=4 1577 B8R1.5 c1cncc(c1F)Cl TS36634 [1,1,0,0,0,0|2,0,0]=4 1578 B8R1.5 c1cncc(c1F)F TS32143 [1,1,0,0,0,0|2,0,0]=4 1579 B8R1.5 c1cncc(c1I)Cl TS02697 [1,1,0,0,0,0|2,0,0]=4 1580 B8R1.5 c1cncc(c1I)Cl TS85392 [1,1,0,0,0,0|2,0,0]=4 1581 B8R1.5 c1cncc(c1I)F TS50244 [1,1,0,0,0,0|2,0,0]=4 1582 B8R1.5 c1cncc(c1I)N TS09721 [1,1,0,0,0,0|2,0,0]=4 1583 B8R1.5 c1cncc(c1I)N TS88838 [1,1,0,0,0,0|2,0,0]=4 1584 B8R1.5 c1cncc(c1N)F TS70882 [1,1,0,0,0,0|2,0,0]=4 1585 B8R1.5 c1cncc(c1N)F TS85432 [1,1,0,0,0,0|2,0,0]=4 1586 B8R1.5 c1cncc(c1N)I TS70887 [1,1,0,0,0,0|2,0,0]=4 1587 B8R1.5 c1cncc(c1N)N TS02530 [1,1,0,0,0,0|2,0,0]=4 1588 B8R1.5 c1cncc(c1O)Br TS09465 [1,1,0,0,0,0|1,0,1]=4 1589 B8R1.5 c1cncc(c1O)Cl TS02695 [1,1,0,0,0,0|1,0,1]=4 1590 B8R1.5 c1cncc(c1O)F TS02748 [1,1,0,0,0,0|1,0,1]=4 1591 B8R1.5 c1cncc(c1O)N TS65860 [1,1,0,0,0,0|1,0,1]=4 1592 B8R1.5 c1cncc(c1O)O TS59374 [1,1,0,0,0,0|1,0,1]=4 1593 B8R1.1 Cc1[nH]cc(n1)C=O TS46412 [0,1,0,0,1,0|2,0,0]=4 1594 B8R1.1 Cc1c[nH]c(n1)C=O TS04193 [0,1,0,0,1,0|2,0,0]=4 1595 B8R1.1 Cc1cc(no1)C=O TS08758 [0,1,0,0,1,0|2,0,0]=4 1596 B8R1.1 Cc1cc(sc1)C=O TS36137 [0,1,0,0,1,0|1,0,0]=3 1597 B8R1.1 Cc1ccc(o1)C=O TS29447 [0,1,0,0,1,0|1,0,0]=3 1598 B8R1.1 Cc1ccc(s1)C=O TS01147 [0,1,0,0,1,0|1,0,0]=3 1599 B8R1.1 Cc1coc(n1)C=O TS90033 [0,1,0,0,1,0|2,0,0]=4 1600 B8R1.1 Cc1csc(n1)C=O TS86523 [0,1,0,0,1,0|2,0,0]=4 1601 B8R1.1 Cc1nc(cs1)C=O TS55442 [0,1,0,0,1,0|2,0,0]=4 1602 B8R1.1 Cc1ncc(o1)C=O TS02441 [0,1,0,0,1,0|2,0,0]=4 1603 B8R1.1 Cn1cc(cn1)C=O TS00477 [0,1,0,0,1,0|2,0,0]=4 1604 B8R1.1 Cn1cc(nc1)C=O TS31819 [0,1,0,0,1,0|2,0,0]=4 1605 B8R1.1 Cn1ccc(n1)C=O TS00048 [0,1,0,0,1,0|2,0,0]=4 1606 B8R1.1 c1c(c[nH]c1C=O)Cl TS89893 [0,1,0,0,1,0|1,0,0]=3 1607 B8R1.1 c1c(coc1C=O)Br TS39327 [0,1,0,0,1,0|1,0,0]=3 1608 B8R1.1 c1c(csc1Br)C=O TS90833 [0,1,0,0,1,0|1,0,0]=3 1609 B8R1.1 c1c(csc1C=O)Br TS70971 [0,1,0,0,1,0|1,0,0]=3 1610 B8R1.1 c1c(csc1C=O)Cl TS88146 [0,1,0,0,1,0|1,0,0]=3 1611 B8R1.1 c1c(csc1Cl)C=O TS87564 [0,1,0,0,1,0|1,0,0]=3 1612 B8R1.1 c1c(nc(s1)Br)C=O TS55176 [0,1,0,0,1,0|2,0,0]=4 1613 B8R1.1 c1c(nc(s1)C=O)Br TS51392 [0,1,0,0,1,0|2,0,0]=4 1614 B8R1.1 c1c(sc(n1)Br)C=O TS08343 [0,1,0,0,1,0|2,0,0]=4 1615 B8R1.1 c1c(sc(n1)C=O)Br TS88563 [0,1,0,0,1,0|2,0,0]=4 1616 B8R1.1 c1c(sc(n1)C=O)Cl TS88531 [0,1,0,0,1,0|2,0,0]=4 1617 B8R1.1 c1c(sc(n1)Cl)C=O TS07944 [0,1,0,0,1,0|2,0,0]=4 1618 B8R1.1 c1c(sc(n1)N)C=O TS00789 [0,1,0,0,1,0|2,0,0]=4 1619 B8R1.1 c1cc(oc1C=O)Br TS71428 [0,1,0,0,1,0|1,0,0]=3 1620 B8R1.1 c1cc(oc1C=O)I TS50041 [0,1,0,0,1,0|1,0,0]=3 1621 B8R1.1 c1cc(sc1C=O)Br TS71469 [0,1,0,0,1,0|1,0,0]=3 1622 B8R1.1 c1cc(sc1C=O)Cl TS60086 [0,1,0,0,1,0|1,0,0]=3 1623 B8R1.1 c1cc(sc1C=O)Cl TS77528 [0,1,0,0,1,0|1,0,0]=3 1624 B8R1.7 CC(=O)[c-]1cccc1 TS30755 [0,1,0,0,1,0|0,0,1]=3 1625 B8R1.7 CC(=O)c1[nH]ccn1 TS31817 [0,1,0,0,1,0|2,0,0]=4 1626 B8R1.7 CC(=O)c1c[nH]cn1 TS02951 [0,1,0,0,1,0|2,0,0]=4 1627 B8R1.7 CC(=O)c1cc[nH]c1 TS65832 [0,1,0,0,1,0|1,0,0]=3 1628 B8R1.7 CC(=O)c1ccc[nH]1 TS31792 [0,1,0,0,1,0|1,0,0]=3 1629 B8R1.7 CC(=O)c1ccco1 TS04188 [0,1,0,0,1,0|1,0,0]=3 1630 B8R1.7 CC(=O)c1cccs1 TS08262 [0,1,0,0,1,0|1,0,0]=3 1631 B8R1.7 CC(=O)c1ccn[nH]1 TS07280 [0,1,0,0,1,0|2,0,0]=4 1632 B8R1.7 CC(=O)c1ccns1 TS05261 [0,1,0,0,1,0|2,0,0]=4 1633 B8R1.7 CC(=O)c1ccsc1 TS65833 [0,1,0,0,1,0|1,0,0]=3 1634 B8R1.7 CC(=O)c1cncs1 TS46736 [0,1,0,0,1,0|2,0,0]=4 1635 B8R1.7 CC(=O)c1nccs1 TS08261 [0,1,0,0,1,0|2,0,0]=4 1636 B8R1.7 CC(=O)n1cccn1 TS04194 [0,1,0,0,1,0|2,0,0]=4 1637 B8R1.7 CC(=O)n1ccnc1 TS93594 [0,1,0,0,1,0|2,0,0]=4 1638 B8R1.7 c1c(cn[nH]1)C(=O)O TS00455 [0,1,0,0,1,0|2,0,0]=4 1639 B8R1.7 c1c(con1)C(=O)O TS56204 [0,1,0,0,1,0|2,0,0]=4 1640 B8R1.7 c1c(nc[nH]1)C(=O)N TS93616 [0,1,0,0,1,0|2,0,0]=4 1641 B8R1.7 c1c(nc[nH]1)C(=O)O TS46950 [0,1,0,0,1,0|2,0,0]=4 1642 B8R1.7 c1c(nco1)C(=O)O TS00378 [0,1,0,0,1,0|2,0,0]=4 1643 B8R1.7 c1c(ncs1)C(=O)N TS01722 [0,1,0,0,1,0|2,0,0]=4 1644 B8R1.7 c1c(ocn1)C(=O)N TS04275 [0,1,0,0,1,0|2,0,0]=4 1645 B8R1.7 c1c(ocn1)C(=O)O TS01173 [0,1,0,0,1,0|2,0,0]=4 1646 B8R1.7 c1c[nH]cc1[N+](=O)[O-] TS04276 [0,1,0,0,1,0|2,0,0]=4 1647 B8R1.7 c1c[nH]nc1C(=O)N TS00453 [0,1,0,0,1,0|2,0,0]=4 1648 B8R1.7 c1c[nH]nc1C(=O)O TS87268 [0,1,0,0,1,0|2,0,0]=4 1649 B8R1.7 c1cc([nH]c1)C(=N)N TS31801 [0,1,0,0,1,0|2,0,0]=4 1650 B8R1.7 c1cc([nH]c1)C(=O)N TS31822 [0,1,0,0,1,0|1,0,0]=3 1651 B8R1.7 c1cc([nH]c1)C(=O)O TS01673 [0,1,0,0,1,0|1,0,0]=3 1652 B8R1.7 c1cc(oc1)C(=N)N TS31821 [0,1,0,0,1,0|2,0,0]=4 1653 B8R1.7 c1cc(oc1)C(=O)Cl TS36564 [0,1,0,0,1,0|1,0,0]=3 1654 B8R1.7 c1cc(oc1)C(=O)N TS04237 [0,1,0,0,1,0|1,0,0]=3 1655 B8R1.7 c1cc(oc1)C(=O)O TS04269 [0,1,0,0,1,0|1,0,0]=3 1656 B8R1.7 c1cc(oc1)C(=S)N TS05264 [0,1,0,0,1,0|1,1,0]=4 1657 B8R1.7 c1cc(oc1)[N+](=O)[O-] TS07968 [0,1,0,0,1,0|2,0,0]=4 1658 B8R1.7 c1cc(sc1)C(=N)N TS08265 [0,1,0,0,1,0|2,0,0]=4 1659 B8R1.7 c1cc(sc1)C(=N)N TS36145 [0,1,0,0,1,0|2,0,0]=4 1660 B8R1.7 c1cc(sc1)C(=O)Cl TS07285 [0,1,0,0,1,0|1,0,0]=3 1661 B8R1.7 c1cc(sc1)C(=O)N TS05268 [0,1,0,0,1,0|1,0,0]=3 1662 B8R1.7 c1cc(sc1)C(=O)O TS59443 [0,1,0,0,1,0|1,0,0]=3 1663 B8R1.7 c1cc(sc1)C(=O)[O-] TS36230 [0,1,0,0,1,0|1,0,0]=3 1664 B8R1.7 c1cc(sc1)C(=O)[O-] TS40815 [0,1,0,0,1,0|1,0,0]=3 1665 B8R1.7 c1cc(sc1)[N+](=O)[O-] TS09400 [0,1,0,0,1,0|2,0,0]=4 1666 B8R1.7 c1cc[c-](c1)C(=O)O TS24808 [0,1,0,0,1,0|0,0,1]=3 1667 B8R1.7 c1cnc([nH]1)C(=O)O TS46948 [0,1,0,0,1,0|2,0,0]=4 1668 B8R1.7 c1cnoc1C(=O)Cl TS56205 [0,1,0,0,1,0|2,0,0]=4 1669 B8R1.7 c1cnoc1C(=O)N TS04271 [0,1,0,0,1,0|2,0,0]=4 1670 B8R1.7 c1cnsc1C(=O)O TS05447 [0,1,0,0,1,0|2,0,0]=4 1671 B8R1.7 c1coc(n1)C(=O)N TS04277 [0,1,0,0,1,0|2,0,0]=4 1672 B8R1.7 c1coc(n1)C(=O)O TS39923 [0,1,0,0,1,0|2,0,0]=4 1673 B8R1.7 c1cocc1C(=N)N TS07281 [0,1,0,0,1,0|2,0,0]=4 1674 B8R1.7 c1cocc1C(=O)Cl TS36565 [0,1,0,0,1,0|1,0,0]=3 1675 B8R1.7 c1cocc1C(=O)O TS02783 [0,1,0,0,1,0|1,0,0]=3 1676 B8R1.7 c1cocc1C(=O)O TS13775 [0,1,0,0,1,0|1,0,0]=3 1677 B8R1.7 c1cocc1C(=S)N TS05267 [0,1,0,0,1,0|1,1,0]=4 1678 B8R1.7 c1conc1C(=O)O TS00353 [0,1,0,0,1,0|2,0,0]=4 1679 B8R1.7 c1csc(n1)C(=O)O TS05448 [0,1,0,0,1,0|2,0,0]=4 1680 B8R1.7 c1csc(n1)C(=O)O TS85376 [0,1,0,0,1,0|2,0,0]=4 1681 B8R1.7 c1cscc1C(=N)N TS11635 [0,1,0,0,1,0|2,0,0]=4 1682 B8R1.7 c1cscc1C(=O)Cl TS22828 [0,1,0,0,1,0|1,0,0]=3 1683 B8R1.7 c1cscc1C(=O)O TS59444 [0,1,0,0,1,0|1,0,0]=3 1684 B8R1.7 c1cscc1C(=S)N TS06880 [0,1,0,0,1,0|1,1,0]=4 1685 B8R1.7 c1csnc1C(=O)O TS91622 [0,1,0,0,1,0|2,0,0]=4 1686 B8R1.8 c1cc([nH]c1)C=NO TS04195 [0,1,0,0,1,0|1,0,1]=4 1687 B8R1.8 c1cc(oc1)C=NO TS04241 [0,1,0,0,1,0|1,0,1]=4 1688 B8R1.8 c1cc(sc1)C=NO TS05263 [0,1,0,0,1,0|1,0,1]=4 1689 B8R1.8 c1cc(sc1)N=C=O TS02013 [0,1,0,0,1,0|1,0,1]=4 1690 B8R1.8 c1cscc1C=NO TS05262 [0,1,0,0,1,0|1,0,1]=4 1691 B8R1.8 c1cscc1N=C=O TS22827 [0,1,0,0,1,0|1,0,1]=4 1692 B8R1.11 Cc1c(c[nH]n1)C=O TS70654 [0,1,0,0,1,0|2,0,0]=4 1693 B8R1.11 Cc1c(c[nH]n1)C=O TS91068 [0,1,0,0,1,0|2,0,0]=4 1694 B8R1.11 Cc1c(nc[nH]1)C=O TS31818 [0,1,0,0,1,0|2,0,0]=4 1695 B8R1.11 Cc1c(scn1)C=O TS08697 [0,1,0,0,1,0|2,0,0]=4 1696 B8R1.11 Cc1cc[nH]c1C=O TS31796 [0,1,0,0,1,0|1,0,0]=3 1697 B8R1.11 Cc1ccsc1C=O TS70683 [0,1,0,0,1,0|1,0,0]=3 1698 B8R1.11 Cn1c(ccn1)C=O TS16650 [0,1,0,0,1,0|2,0,0]=4 1699 B8R1.11 Cn1cccc1C=O TS31795 [0,1,0,0,1,0|1,0,0]=3 1700 B8R1.11 Cn1ccnc1C=O TS00052 [0,1,0,0,1,0|2,0,0]=4 1701 B8R1.11 Cn1cncc1C=O TS00469 [0,1,0,0,1,0|2,0,0]=4 1702 B8R1.11 c1c(c(cs1)Br)C=O TS09451 [0,1,0,0,1,0|1,0,0]=3 1703 B8R1.11 c1c(c(n[nH]1)C=O)Cl TS36567 [0,1,0,0,1,0|2,0,0]=4 1704 B8R1.11 c1c[nH]c(c1Br)C=O TS90463 [0,1,0,0,1,0|1,0,0]=3 1705 B8R1.11 c1c[nH]c(c1Cl)C=O TS88935 [0,1,0,0,1,0|1,0,0]=3 1706 B8R1.11 c1coc(c1Br)C=O TS45892 [0,1,0,0,1,0|1,0,0]=3 1707 B8R1.11 c1csc(c1Br)C=O TS60011 [0,1,0,0,1,0|1,0,0]=3 1708 B8R1.11 c1csc(c1Cl)C=O TS02034 [0,1,0,0,1,0|1,0,0]=3 1709 B8R1.11 c1nc(c(s1)C=O)Cl TS85466 [0,1,0,0,1,0|2,0,0]=4 1710 B10R1.1 C=CCc1ccc(cc1)O TS36845 [0,2,0,0,0,0|1,0,0]=3 1711 B10R1.1 CCCc1ccc(cc1)Br TS54164 [0,2,0,0,0,0|1,0,1]=4 1712 B10R1.1 CCCc1ccc(cc1)C TS05929 [0,2,0,0,0,0|1,0,1]=4 1713 B10R1.1 CCCc1ccc(cc1)Cl TS41466 [0,2,0,0,0,0|1,0,1]=4 1714 B10R1.1 CCCc1ccc(cc1)F TS07665 [0,2,0,0,0,0|1,0,1]=4 1715 B10R1.1 CCCc1ccc(cc1)I TS27402 [0,2,0,0,0,0|1,0,1]=4 1716 B10R1.1 CCCc1ccc(cc1)N TS36955 [0,2,0,0,0,0|1,0,1]=4 1717 B10R1.1 CCCc1ccc(cc1)O TS06088 [0,2,0,0,0,0|1,0,1]=4 1718 B10R1.1 CCNc1ccc(cc1)C TS36952 [0,2,0,0,0,0|1,0,1]=4 1719 B10R1.1 CCNc1ccc(cc1)Cl TS10637 [0,2,0,0,0,0|1,0,1]=4 1720 B10R1.1 CCOc1ccc(cc1)Br TS38042 [0,2,0,0,0,0|1,0,1]=4 1721 B10R1.1 CCOc1ccc(cc1)C TS06082 [0,2,0,0,0,0|1,0,1]=4 1722 B10R1.1 CCOc1ccc(cc1)Cl TS41721 [0,2,0,0,0,0|1,0,1]=4 1723 B10R1.1 CCOc1ccc(cc1)F TS37363 [0,2,0,0,0,0|1,0,1]=4 1724 B10R1.1 CCOc1ccc(cc1)I TS59517 [0,2,0,0,0,0|1,0,1]=4 1725 B10R1.1 CCOc1ccc(cc1)N TS33162 [0,2,0,0,0,0|1,0,1]=4 1726 B10R1.1 CCOc1ccc(cc1)N TS45702 [0,2,0,0,0,0|1,0,1]=4 1727 B10R1.1 CCOc1ccc(cc1)O TS06257 [0,2,0,0,0,0|1,0,1]=4 1728 B10R1.1 CCSc1ccc(cc1)Br TS49222 [0,2,0,0,0,0|1,0,1]=4 1729 B10R1.1 CCSc1ccc(cc1)Cl TS13282 [0,2,0,0,0,0|1,0,1]=4 1730 B10R1.1 CNCc1ccc(cc1)Cl TS08033 [0,2,0,0,0,0|1,0,1]=4 1731 B10R1.1 COCc1ccc(cc1)F TS37375 [0,2,0,0,0,0|0,0,2]=4 1732 B10R1.1 CSCc1ccc(cc1)Cl TS13281 [0,2,0,0,0,0|0,1,1]=4 1733 B10R1.1 Cc1ccc(cc1)C=NO TS36931 [0,2,0,0,0,0|0,0,1]=3 1734 B10R1.1 Cc1ccc(cc1)CC#N TS03175 [0,2,0,0,0,0|1,0,1]=4 1735 B10R1.1 Cc1ccc(cc1)CC=C TS05765 [0,2,0,0,0,0|1,0,0]=3 1736 B10R1.1 Cc1ccc(cc1)CC=O TS59814 [0,2,0,0,0,0|0,0,0]=2 1737 B10R1.1 Cc1ccc(cc1)CCBr TS18768 [0,2,0,0,0,0|1,0,1]=4 1738 B10R1.1 Cc1ccc(cc1)CCN TS36945 [0,2,0,0,0,0|1,0,1]=4 1739 B10R1.1 Cc1ccc(cc1)CCO TS06073 [0,2,0,0,0,0|0,0,2]=4 1740 B10R1.1 Cc1ccc(cc1)CNC TS01603 [0,2,0,0,0,0|1,0,1]=4 1741 B10R1.1 Cc1ccc(cc1)N=C=O TS01656 [0,2,0,0,0,0|0,0,1]=3 1742 B10R1.1 Cc1ccc(cc1)N=C=S TS07589 [0,2,0,0,0,0|0,1,1]=4 1743 B10R1.1 Cc1ccc(cc1)NC=O TS36928 [0,2,0,0,0,0|0,0,0]=2 1744 B10R1.1 Cc1ccc(cc1)SCCl TS13278 [0,2,0,0,0,0|1,0,1]=4 1745 B10R1.1 Cc1ccc(cn1)N=C=O TS36819 [0,2,0,0,0,0|1,0,1]=4 1746 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Br TS18167 [0,2,0,0,0,0|1,0,1]=4 1747 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Cl TS41066 [0,2,0,0,0,0|1,0,1]=4 1748 B10R1.1 c1cc(ccc1C=NO)Cl TS09010 [0,2,0,0,0,0|0,0,1]=3 1749 B10R1.1 c1cc(ccc1C=NO)F TS37276 [0,2,0,0,0,0|0,0,1]=3 1750 B10R1.1 c1cc(ccc1CC#N)Br TS71003 [0,2,0,0,0,0|1,0,1]=4 1751 B10R1.1 c1cc(ccc1CC#N)Cl TS39554 [0,2,0,0,0,0|1,0,1]=4 1752 B10R1.1 c1cc(ccc1CC#N)F TS09126 [0,2,0,0,0,0|1,0,1]=4 1753 B10R1.1 c1cc(ccc1CC#N)I TS09719 [0,2,0,0,0,0|1,0,1]=4 1754 B10R1.1 c1cc(ccc1CC#N)N TS05748 [0,2,0,0,0,0|1,0,1]=4 1755 B10R1.1 c1cc(ccc1CC#N)N TS12627 [0,2,0,0,0,0|1,0,1]=4 1756 B10R1.1 c1cc(ccc1CC#N)O TS59576 [0,2,0,0,0,0|1,0,1]=4 1757 B10R1.1 c1cc(ccc1CC=O)Br TS59562 [0,2,0,0,0,0|0,0,0]=2 1758 B10R1.1 c1cc(ccc1CC=O)Cl TS08034 [0,2,0,0,0,0|0,0,0]=2 1759 B10R1.1 c1cc(ccc1CC=O)F TS47060 [0,2,0,0,0,0|0,0,0]=2 1760 B10R1.1 c1cc(ccc1CC=O)N TS36921 [0,2,0,0,0,0|0,0,0]=2 1761 B10R1.1 c1cc(ccc1CC=O)O TS36982 [0,2,0,0,0,0|0,0,0]=2 1762 B10R1.1 c1cc(ccc1CCBr)Br TS71001 [0,2,0,0,0,0|1,0,1]=4 1763 B10R1.1 c1cc(ccc1CCBr)Cl TS08144 [0,2,0,0,0,0|1,0,1]=4 1764 B10R1.1 c1cc(ccc1CCBr)F TS38380 [0,2,0,0,0,0|1,0,1]=4 1765 B10R1.1 c1cc(ccc1CCBr)O TS38051 [0,2,0,0,0,0|1,0,1]=4 1766 B10R1.1 c1cc(ccc1CCCl)F TS11092 [0,2,0,0,0,0|1,0,1]=4 1767 B10R1.1 c1cc(ccc1CCN)Br TS34272 [0,2,0,0,0,0|1,0,1]=4 1768 B10R1.1 c1cc(ccc1CCN)Br TS71000 [0,2,0,0,0,0|1,0,1]=4 1769 B10R1.1 c1cc(ccc1CCN)Cl TS10636 [0,2,0,0,0,0|1,0,1]=4 1770 B10R1.1 c1cc(ccc1CCN)Cl TS51403 [0,2,0,0,0,0|1,0,1]=4 1771 B10R1.1 c1cc(ccc1CCN)F TS03097 [0,2,0,0,0,0|1,0,1]=4 1772 B10R1.1 c1cc(ccc1CCN)F TS13760 [0,2,0,0,0,0|1,0,1]=4 1773 B10R1.1 c1cc(ccc1CCN)I TS27555 [0,2,0,0,0,0|1,0,1]=4 1774 B10R1.1 c1cc(ccc1CCN)N TS09521 [0,2,0,0,0,0|1,0,1]=4 1775 B10R1.1 c1cc(ccc1CCN)N TS37024 [0,2,0,0,0,0|1,0,1]=4 1776 B10R1.1 c1cc(ccc1CCN)O TS01822 [0,2,0,0,0,0|1,0,1]=4 1777 B10R1.1 c1cc(ccc1CCN)O TS39727 [0,2,0,0,0,0|1,0,1]=4 1778 B10R1.1 c1cc(ccc1CCO)Br TS16460 [0,2,0,0,0,0|0,0,2]=4 1779 B10R1.1 c1cc(ccc1CCO)Cl TS10797 [0,2,0,0,0,0|0,0,2]=4 1780 B10R1.1 c1cc(ccc1CCO)F TS39509 [0,2,0,0,0,0|0,0,2]=4 1781 B10R1.1 c1cc(ccc1CCO)N TS39616 [0,2,0,0,0,0|0,0,2]=4 1782 B10R1.1 c1cc(ccc1CCO)O TS47066 [0,2,0,0,0,0|0,0,2]=4 1783 B10R1.1 c1cc(ccc1CNN)Br TS91149 [0,2,0,0,0,0|1,0,1]=4 1784 B10R1.1 c1cc(ccc1CNN)Cl TS90344 [0,2,0,0,0,0|1,0,1]=4 1785 B10R1.1 c1cc(ccc1CNN)F TS88239 [0,2,0,0,0,0|1,0,1]=4 1786 B10R1.1 c1cc(ccc1CNN)F TS94903 [0,2,0,0,0,0|1,0,1]=4 1787 B10R1.1 c1cc(ccc1CO[NH3+])Cl TS39582 [0,2,0,0,0,0|0,0,2]=4 1788 B10R1.1 c1cc(ccc1CO[NH3+])F TS93852 [0,2,0,0,0,0|0,0,2]=4 1789 B10R1.1 c1cc(ccc1N)N=[N+]=[N-] TS45244 [0,2,0,0,0,0|2,0,0]=4 1790 B10R1.1 c1cc(ccc1N=C=O)Br TS53945 [0,2,0,0,0,0|0,0,1]=3 1791 B10R1.1 c1cc(ccc1N=C=O)Cl TS09683 [0,2,0,0,0,0|0,0,1]=3 1792 B10R1.1 c1cc(ccc1N=C=O)F TS01852 [0,2,0,0,0,0|0,0,1]=3 1793 B10R1.1 c1cc(ccc1N=C=O)I TS62098 [0,2,0,0,0,0|0,0,1]=3 1794 B10R1.1 c1cc(ccc1N=C=S)Br TS44460 [0,2,0,0,0,0|0,1,1]=4 1795 B10R1.1 c1cc(ccc1N=C=S)Cl TS09684 [0,2,0,0,0,0|0,1,1]=4 1796 B10R1.1 c1cc(ccc1N=C=S)F TS03101 [0,2,0,0,0,0|0,1,1]=4 1797 B10R1.1 c1cc(ccc1NC=O)Cl TS10616 [0,2,0,0,0,0|0,0,0]=2 1798 B10R1.1 c1cc(ccc1NC=O)F TS37270 [0,2,0,0,0,0|0,0,0]=2 1799 B10R1.1 c1cc(ccc1NC=O)O TS37097 [0,2,0,0,0,0|0,0,0]=2 1800 B10R1.1 c1cc(ncc1N=C=O)Cl TS59955 [0,2,0,0,0,0|1,0,1]=4 1801 B10R1.3 C#Cc1ccc(cc1)C#C TS05164 [0,2,0,0,0,0|1,0,1]=4 1802 B10R1.3 C#Cc1ccc(cc1)C#N TS32967 [0,2,0,0,0,0|1,0,1]=4 1803 B10R1.3 C#Cc1ccc(cc1)C=O TS71109 [0,2,0,0,0,0|0,0,0]=2 1804 B10R1.3 C1=CC(=NO)C=CC1=NO TS06241 [0,2,0,0,0,0|1,0,1]=4 1805 B10R1.3 C=Cc1ccc(cc1)C#N TS05461 [0,2,0,0,0,0|1,0,0]=3 1806 B10R1.3 C=Cc1ccc(cc1)C=C TS36514 [0,2,0,0,0,0|1,0,0]=3 1807 B10R1.3 C=Cc1ccc(cc1)C=O TS93446 [0,2,0,0,0,0|0,0,0]=2 1808 B10R1.3 C=Cc1ccc(cc1)CO TS36844 [0,2,0,0,0,0|1,0,0]=3 1809 B10R1.3 C=Cc1ccc(cc1)CO TS69333 [0,2,0,0,0,0|1,0,0]=3 1810 B10R1.3 CCc1ccc(cc1)C#C TS59670 [0,2,0,0,0,0|1,0,1]=4 1811 B10R1.3 CCc1ccc(cc1)C#N TS05665 [0,2,0,0,0,0|1,0,1]=4 1812 B10R1.3 CCc1ccc(cc1)C=C TS36711 [0,2,0,0,0,0|1,0,0]=3 1813 B10R1.3 CCc1ccc(cc1)C=O TS36835 [0,2,0,0,0,0|0,0,0]=2 1814 B10R1.3 CCc1ccc(cc1)CC TS05932 [0,2,0,0,0,0|1,0,1]=4 1815 B10R1.3 CCc1ccc(cc1)CCl TS07791 [0,2,0,0,0,0|1,0,1]=4 1816 B10R1.3 CCc1ccc(cc1)CN TS36956 [0,2,0,0,0,0|1,0,1]=4 1817 B10R1.3 CCc1ccc(cc1)CO TS06078 [0,2,0,0,0,0|0,0,2]=4 1818 B10R1.3 CCc1ccc(cc1)OC TS06096 [0,2,0,0,0,0|1,0,1]=4 1819 B10R1.3 CCc1ccc(nc1)C=C TS65158 [0,2,0,0,0,0|2,0,0]=4 1820 B10R1.3 CCc1ncc(cn1)C=O TS55317 [0,2,0,0,0,0|2,0,0]=4 1821 B10R1.3 CNc1ccc(cc1)C#N TS07763 [0,2,0,0,0,0|1,0,1]=4 1822 B10R1.3 CNc1ccc(cc1)OC TS01939 [0,2,0,0,0,0|2,0,0]=4 1823 B10R1.3 COc1ccc(cc1)C#C TS03157 [0,2,0,0,0,0|1,0,1]=4 1824 B10R1.3 COc1ccc(cc1)C#N TS07812 [0,2,0,0,0,0|1,0,1]=4 1825 B10R1.3 COc1ccc(cc1)C=C TS36841 [0,2,0,0,0,0|1,0,0]=3 1826 B10R1.3 COc1ccc(cc1)C=O TS36981 [0,2,0,0,0,0|0,0,0]=2 1827 B10R1.3 COc1ccc(cc1)CBr TS03143 [0,2,0,0,0,0|1,0,1]=4 1828 B10R1.3 COc1ccc(cc1)CCl TS60060 [0,2,0,0,0,0|1,0,1]=4 1829 B10R1.3 COc1ccc(cc1)CN TS03142 [0,2,0,0,0,0|1,0,1]=4 1830 B10R1.3 COc1ccc(cc1)CS TS03144 [0,2,0,0,0,0|0,1,1]=4 1831 B10R1.3 COc1ccc(cc1)C[Zn+] TS50043 [0,2,0,0,0,0|1,0,1]=4 1832 B10R1.3 COc1ccc(cc1)NN TS45874 [0,2,0,0,0,0|2,0,0]=4 1833 B10R1.3 COc1ccc(cc1)OC TS07887 [0,2,0,0,0,0|2,0,0]=4 1834 B10R1.3 COc1ccc(cc1)SC TS41410 [0,2,0,0,0,0|2,0,0]=4 1835 B10R1.3 COc1ccc(cc1)[Mg]Br TS44050 [0,2,0,0,0,0|2,0,0]=4 1836 B10R1.3 COc1ccc(cc1)[N+]#N TS50040 [0,2,0,0,0,0|2,0,0]=4 1837 B10R1.3 COc1ccc(cc1)[N+]#[C-] TS36751 [0,2,0,0,0,0|2,0,0]=4 1838 B10R1.3 COc1ccc(cn1)C=O TS55618 [0,2,0,0,0,0|1,0,0]=3 1839 B10R1.3 COc1ccc(nc1)C=O TS87371 [0,2,0,0,0,0|1,0,0]=3 1840 B10R1.3 COc1ncc(cn1)C=O TS55436 [0,2,0,0,0,0|2,0,0]=4 1841 B10R1.3 CSc1ccc(cc1)C#N TS40765 [0,2,0,0,0,0|1,0,1]=4 1842 B10R1.3 CSc1ccc(cc1)C=O TS71245 [0,2,0,0,0,0|0,0,0]=2 1843 B10R1.3 CSc1ccc(cc1)CCl TS13280 [0,2,0,0,0,0|1,0,1]=4 1844 B10R1.3 CSc1ccc(cc1)CO TS41407 [0,2,0,0,0,0|0,0,2]=4 1845 B10R1.3 CSc1ccc(cc1)NN TS46693 [0,2,0,0,0,0|2,0,0]=4 1846 B10R1.3 CSc1ccc(cc1)[Mg]Br TS24404 [0,2,0,0,0,0|2,0,0]=4 1847 B10R1.3 CSc1ccc(cc1)[Mg]Cl TS15085 [0,2,0,0,0,0|2,0,0]=4 1848 B10R1.3 CSc1ncc(cn1)C=O TS00520 [0,2,0,0,0,0|2,0,0]=4 1849 B10R1.3 [C-]#[N+]c1ccc(cc1)[N+]#[C-] TS05319 [0,2,0,0,0,0|2,0,0]=4 1850 B10R1.3 c1cc(ccc1C#N)C#N TS05323 [0,2,0,0,0,0|1,0,1]=4 1851 B10R1.3 c1cc(ccc1C#N)NN TS03066 [0,2,0,0,0,0|1,0,1]=4 1852 B10R1.3 c1cc(ccc1C=O)C#N TS03056 [0,2,0,0,0,0|0,0,0]=2 1853 B10R1.3 c1cc(ccc1C=O)C=O TS36801 [0,2,0,0,0,0|0,0,0]=2 1854 B10R1.3 c1cc(ccc1CBr)C#N TS03060 [0,2,0,0,0,0|1,0,1]=4 1855 B10R1.3 c1cc(ccc1CBr)C=O TS08637 [0,2,0,0,0,0|0,0,0]=2 1856 B10R1.3 c1cc(ccc1CBr)CBr TS39926 [0,2,0,0,0,0|1,0,1]=4 1857 B10R1.3 c1cc(ccc1CCl)C#N TS33158 [0,2,0,0,0,0|1,0,1]=4 1858 B10R1.3 c1cc(ccc1CCl)CCl TS13622 [0,2,0,0,0,0|1,0,1]=4 1859 B10R1.3 c1cc(ccc1CN)C#N TS03059 [0,2,0,0,0,0|1,0,1]=4 1860 B10R1.3 c1cc(ccc1CN)C#N TS16889 [0,2,0,0,0,0|1,0,1]=4 1861 B10R1.3 c1cc(ccc1CN)CO TS03000 [0,2,0,0,0,0|0,0,2]=4 1862 B10R1.3 c1cc(ccc1CN)CO TS45704 [0,2,0,0,0,0|0,0,2]=4 1863 B10R1.3 c1cc(ccc1CO)C#N TS01797 [0,2,0,0,0,0|0,0,2]=4 1864 B10R1.3 c1cc(ccc1CO)CBr TS16757 [0,2,0,0,0,0|0,0,2]=4 1865 B10R1.3 c1cc(ccc1CO)CO TS06244 [0,2,0,0,0,0|0,0,2]=4 1866 B10R1.3 c1cc(ccc1CS)CS TS12899 [0,2,0,0,0,0|0,1,1]=4 1867 B10R1.3 c1cc(ccc1C[Zn+])C#N TS68531 [0,2,0,0,0,0|1,0,1]=4 1868 B10R1.13 B(c1ccc(cc1)Br)(O)O TS71004 [0,2,0,0,0,0|1,0,1]=4 1869 B10R1.13 B(c1ccc(cc1)C)(O)O TS06030 [0,2,0,0,0,0|1,0,1]=4 1870 B10R1.13 B(c1ccc(cc1)Cl)(O)O TS10782 [0,2,0,0,0,0|1,0,1]=4 1871 B10R1.13 B(c1ccc(cc1)I)(O)O TS93847 [0,2,0,0,0,0|1,0,1]=4 1872 B10R1.13 B(c1ccc(cc1)N)(O)O TS94631 [0,2,0,0,0,0|1,0,1]=4 1873 B10R1.13 B(c1ccc(cc1)O)(O)O TS94040 [0,2,0,0,0,0|1,0,1]=4 1874 B10R1.13 B(c1ccc(cc1)S)(O)O TS71196 [0,2,0,0,0,0|1,0,1]=4 1875 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [0,2,0,0,0,0|1,0,0]=3 1876 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [0,2,0,0,0,0|1,0,0]=3 1877 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [0,2,0,0,0,0|0,0,0]=2 1878 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [0,2,0,0,0,0|0,0,0]=2 1879 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [0,2,0,0,0,0|0,0,0]=2 1880 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [0,2,0,0,0,0|0,0,0]=2 1881 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [0,2,0,0,0,0|0,0,0]=2 1882 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [0,2,0,0,0,0|1,0,0]=3 1883 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [0,2,0,0,0,0|1,0,0]=3 1884 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [0,2,0,0,0,0|1,0,0]=3 1885 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [0,2,0,0,0,0|1,0,0]=3 1886 B10R1.13 CC(=O)c1ccc(nn1)Cl TS88128 [0,2,0,0,0,0|2,0,0]=4 1887 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [0,2,0,0,0,0|1,0,0]=3 1888 B10R1.13 CC(=O)c1cnc(cn1)Cl TS10794 [0,2,0,0,0,0|2,0,0]=4 1889 B10R1.13 CC(=O)c1ncc(cn1)Br TS91771 [0,2,0,0,0,0|2,0,0]=4 1890 B10R1.13 CC(=O)c1ncc(cn1)F TS89063 [0,2,0,0,0,0|2,0,0]=4 1891 B10R1.13 CC(C)c1ccc(cc1)Br TS00030 [0,2,0,0,0,0|1,0,1]=4 1892 B10R1.13 CC(C)c1ccc(cc1)F TS06283 [0,2,0,0,0,0|1,0,1]=4 1893 B10R1.13 CC(C)c1ccc(cc1)I TS27405 [0,2,0,0,0,0|1,0,1]=4 1894 B10R1.13 CC(C)c1ccc(cc1)N TS39757 [0,2,0,0,0,0|1,0,1]=4 1895 B10R1.13 CC(C)c1ccc(cc1)O TS06072 [0,2,0,0,0,0|1,0,1]=4 1896 B10R1.13 CC(C)c1ccc(cc1)S TS41192 [0,2,0,0,0,0|1,0,1]=4 1897 B10R1.13 CC(c1ccc(cc1)Cl)N TS10633 [0,2,0,0,0,0|1,0,1]=4 1898 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [0,2,0,0,0,0|0,0,2]=4 1899 B10R1.13 CC(c1ccc(cc1)F)O TS46723 [0,2,0,0,0,0|0,0,2]=4 1900 B10R1.13 CC(c1ccc(cc1)N)O TS37111 [0,2,0,0,0,0|0,0,2]=4 1901 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [0,2,0,0,0,0|0,0,2]=4 1902 B10R1.13 CN(C)c1ccc(cc1)Br TS39551 [0,2,0,0,0,0|2,0,0]=4 1903 B10R1.13 CN(C)c1ccc(cc1)F TS37295 [0,2,0,0,0,0|2,0,0]=4 1904 B10R1.13 CN(C)c1ccc(cc1)I TS27558 [0,2,0,0,0,0|2,0,0]=4 1905 B10R1.13 CN(C)c1ccc(cc1)N TS24168 [0,2,0,0,0,0|2,0,0]=4 1906 B10R1.13 CN(C)c1ccc(cc1)N TS37038 [0,2,0,0,0,0|2,0,0]=4 1907 B10R1.13 CN(C)c1ccc(cc1)S TS10342 [0,2,0,0,0,0|2,0,0]=4 1908 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [0,2,0,0,0,0|1,0,0]=3 1909 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [0,2,0,0,0,0|1,0,0]=3 1910 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [0,2,0,0,0,0|1,0,0]=3 1911 B10R1.13 C[C@@H](c1ccc(cc1)Br)N TS08104 [0,2,0,0,0,0|1,0,1]=4 1912 B10R1.13 C[C@@H](c1ccc(cc1)Br)O TS38046 [0,2,0,0,0,0|0,0,2]=4 1913 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N TS41561 [0,2,0,0,0,0|1,0,1]=4 1914 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [0,2,0,0,0,0|0,0,2]=4 1915 B10R1.13 C[C@@H](c1ccc(cc1)F)N TS39575 [0,2,0,0,0,0|1,0,1]=4 1916 B10R1.13 C[C@@H](c1ccc(cc1)F)O TS06456 [0,2,0,0,0,0|0,0,2]=4 1917 B10R1.13 C[C@@H](c1ccc(cc1)N)N TS20700 [0,2,0,0,0,0|1,0,1]=4 1918 B10R1.13 C[C@H](c1ccc(cc1)Br)O TS38043 [0,2,0,0,0,0|0,0,2]=4 1919 B10R1.13 C[C@H](c1ccc(cc1)Cl)N TS10630 [0,2,0,0,0,0|1,0,1]=4 1920 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [0,2,0,0,0,0|0,0,2]=4 1921 B10R1.13 C[C@H](c1ccc(cc1)F)O TS06452 [0,2,0,0,0,0|0,0,2]=4 1922 B10R1.13 C[C@H](c1ccc(cc1)N)N TS20699 [0,2,0,0,0,0|1,0,1]=4 1923 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [0,2,0,0,0,0|1,0,0]=3 1924 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [0,2,0,0,0,0|1,0,0]=3 1925 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [0,2,0,0,0,0|1,0,0]=3 1926 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [0,2,0,0,0,0|0,0,0]=2 1927 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [0,2,0,0,0,0|0,0,0]=2 1928 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [0,2,0,0,0,0|0,0,0]=2 1929 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [0,2,0,0,0,0|0,0,0]=2 1930 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [0,2,0,0,0,0|0,1,0]=3 1931 B10R1.13 Cc1ccc(cc1)C(C)C TS36855 [0,2,0,0,0,0|1,0,1]=4 1932 B10R1.13 Cc1ccc(cc1)C(C)C TS84159 [0,2,0,0,0,0|1,0,1]=4 1933 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [0,2,0,0,0,0|1,0,1]=4 1934 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [0,2,0,0,0,0|0,0,2]=4 1935 B10R1.13 Cc1ccc(cc1)C(Cl)Cl TS13626 [0,2,0,0,0,0|1,0,1]=4 1936 B10R1.13 Cc1ccc(cc1)N(C)C TS34593 [0,2,0,0,0,0|2,0,0]=4 1937 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [0,2,0,0,0,0|1,0,0]=3 1938 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [0,2,0,0,0,0|1,0,0]=3 1939 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [0,2,0,0,0,0|1,0,0]=3 1940 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [0,2,0,0,0,0|1,0,0]=3 1941 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [0,2,0,0,0,0|1,0,0]=3 1942 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [0,2,0,0,0,0|1,0,0]=3 1943 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [0,2,0,0,0,0|1,0,0]=3 1944 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [0,2,0,0,0,0|1,0,0]=3 1945 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [0,2,0,0,0,0|1,0,1]=4 1946 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [0,2,0,0,0,0|1,0,1]=4 1947 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [0,2,0,0,0,0|1,0,1]=4 1948 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [0,2,0,0,0,0|1,0,0]=3 1949 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [0,2,0,0,0,0|1,0,0]=3 1950 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [0,2,0,0,0,0|1,0,0]=3 1951 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [0,2,0,0,0,0|1,0,0]=3 1952 B10R1.13 Cc1ccc(cn1)C(=S)N TS41172 [0,2,0,0,0,0|1,1,0]=4 1953 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] TS55458 [0,2,0,0,0,0|2,0,0]=4 1954 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [0,2,0,0,0,0|1,0,0]=3 1955 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [0,2,0,0,0,0|1,0,0]=3 1956 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] TS06235 [0,2,0,0,0,0|2,0,0]=4 1957 B10R1.13 Cc1cnc(cn1)C(=O)O TS01145 [0,2,0,0,0,0|2,0,0]=4 1958 B10R1.13 Cc1cnc(nc1)C(=O)O TS90420 [0,2,0,0,0,0|2,0,0]=4 1959 B10R1.13 Cc1ncc(cn1)C(=O)O TS02452 [0,2,0,0,0,0|2,0,0]=4 1960 B10R1.13 c1c(cnc(n1)C(=O)O)Br TS38365 [0,2,0,0,0,0|2,0,0]=4 1961 B10R1.13 c1c(cnc(n1)C(=O)O)Br TS81900 [0,2,0,0,0,0|2,0,0]=4 1962 B10R1.13 c1c(cnc(n1)C(=O)O)Cl TS86274 [0,2,0,0,0,0|2,0,0]=4 1963 B10R1.13 c1c(cnc(n1)C(=O)O)F TS90778 [0,2,0,0,0,0|2,0,0]=4 1964 B10R1.13 c1c(cnc(n1)C(=O)O)N TS71387 [0,2,0,0,0,0|2,0,0]=4 1965 B10R1.13 c1c(cnc(n1)Cl)C(=O)O TS00962 [0,2,0,0,0,0|2,0,0]=4 1966 B10R1.13 c1c(cnc(n1)N)C(=O)O TS00824 [0,2,0,0,0,0|2,0,0]=4 1967 B10R1.13 c1c(cnc(n1)O)C(=O)O TS86644 [0,2,0,0,0,0|2,0,0]=4 1968 B10R1.13 c1c(ncc(=O)[nH]1)C(=O)[O-] TS11486 [0,2,0,0,0,0|2,0,0]=4 1969 B10R1.13 c1c(ncc(n1)Cl)C(=O)O TS71521 [0,2,0,0,0,0|2,0,0]=4 1970 B10R1.13 c1c(ncc(n1)N)C(=O)O TS47452 [0,2,0,0,0,0|2,0,0]=4 1971 B10R1.13 c1c(ncc(n1)O)C(=O)O TS03342 [0,2,0,0,0,0|2,0,0]=4 1972 B10R1.13 c1cc(=O)[nH]nc1C(=O)O TS16305 [0,2,0,0,0,0|2,0,0]=4 1973 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [0,2,0,0,0,0|1,0,0]=3 1974 B10R1.13 c1cc(ccc1C(=N)N)Br TS09590 [0,2,0,0,0,0|1,0,0]=3 1975 B10R1.13 c1cc(ccc1C(=N)N)Br TS39740 [0,2,0,0,0,0|1,0,0]=3 1976 B10R1.13 c1cc(ccc1C(=N)N)Cl TS33150 [0,2,0,0,0,0|1,0,0]=3 1977 B10R1.13 c1cc(ccc1C(=N)N)Cl TS54571 [0,2,0,0,0,0|1,0,0]=3 1978 B10R1.13 c1cc(ccc1C(=N)N)Cl TS71058 [0,2,0,0,0,0|1,0,0]=3 1979 B10R1.13 c1cc(ccc1C(=N)N)F TS03080 [0,2,0,0,0,0|1,0,0]=3 1980 B10R1.13 c1cc(ccc1C(=N)N)I TS54570 [0,2,0,0,0,0|1,0,0]=3 1981 B10R1.13 c1cc(ccc1C(=N)N)N TS45388 [0,2,0,0,0,0|1,0,0]=3 1982 B10R1.13 c1cc(ccc1C(=N)N)N TS70909 [0,2,0,0,0,0|1,0,0]=3 1983 B10R1.13 c1cc(ccc1C(=N)N)O TS59618 [0,2,0,0,0,0|1,0,0]=3 1984 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [0,2,0,0,0,0|0,0,0]=2 1985 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [0,2,0,0,0,0|0,0,0]=2 1986 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [0,2,0,0,0,0|0,0,0]=2 1987 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [0,2,0,0,0,0|0,0,0]=2 1988 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [0,2,0,0,0,0|0,0,0]=2 1989 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [0,2,0,0,0,0|0,0,0]=2 1990 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [0,2,0,0,0,0|0,0,0]=2 1991 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [0,2,0,0,0,0|0,0,0]=2 1992 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [0,2,0,0,0,0|0,0,0]=2 1993 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [0,2,0,0,0,0|0,0,0]=2 1994 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [0,2,0,0,0,0|0,0,0]=2 1995 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [0,2,0,0,0,0|0,0,0]=2 1996 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [0,2,0,0,0,0|0,0,0]=2 1997 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [0,2,0,0,0,0|0,0,0]=2 1998 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [0,2,0,0,0,0|0,0,0]=2 1999 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [0,2,0,0,0,0|0,0,0]=2 2000 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [0,2,0,0,0,0|0,0,0]=2 2001 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [0,2,0,0,0,0|0,0,0]=2 2002 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [0,2,0,0,0,0|0,0,0]=2 2003 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [0,2,0,0,0,0|0,0,0]=2 2004 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [0,2,0,0,0,0|0,0,0]=2 2005 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [0,2,0,0,0,0|0,0,0]=2 2006 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [0,2,0,0,0,0|0,0,0]=2 2007 B10R1.13 c1cc(ccc1C(=S)N)Br TS21979 [0,2,0,0,0,0|0,1,0]=3 2008 B10R1.13 c1cc(ccc1C(=S)N)Cl TS09015 [0,2,0,0,0,0|0,1,0]=3 2009 B10R1.13 c1cc(ccc1C(=S)N)F TS41515 [0,2,0,0,0,0|0,1,0]=3 2010 B10R1.13 c1cc(ccc1C(=S)N)N TS10202 [0,2,0,0,0,0|0,1,0]=3 2011 B10R1.13 c1cc(ccc1C(=S)N)O TS03140 [0,2,0,0,0,0|0,1,0]=3 2012 B10R1.13 c1cc(ccc1C(Cl)Cl)Cl TS52070 [0,2,0,0,0,0|1,0,1]=4 2013 B10R1.13 c1cc(ccc1C(Cl)Cl)F TS47663 [0,2,0,0,0,0|1,0,1]=4 2014 B10R1.13 c1cc(ccc1C(F)F)Br TS00409 [0,2,0,0,0,0|1,0,1]=4 2015 B10R1.13 c1cc(ccc1Cl)[Se](=O)O TS50375 [0,2,0,0,0,0|1,0,0]=3 2016 B10R1.13 c1cc(ccc1F)S(=O)[O-] TS01688 [0,2,0,0,0,0|1,0,0]=3 2017 B10R1.13 c1cc(ccc1N(=O)=O)F TS03096 [0,2,0,0,0,0|1,0,0]=3 2018 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] TS09744 [0,2,0,0,0,0|1,0,0]=3 2019 B10R1.13 c1cc(ccc1S(=O)[O-])Br TS54208 [0,2,0,0,0,0|1,0,0]=3 2020 B10R1.13 c1cc(ccc1S(=O)[O-])Cl TS18735 [0,2,0,0,0,0|1,0,0]=3 2021 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br TS00415 [0,2,0,0,0,0|1,0,0]=3 2022 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl TS41832 [0,2,0,0,0,0|1,0,0]=3 2023 B10R1.13 c1cc(ccc1[N+](=O)[O-])I TS09204 [0,2,0,0,0,0|1,0,0]=3 2024 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS06354 [0,2,0,0,0,0|1,0,0]=3 2025 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS92945 [0,2,0,0,0,0|1,0,0]=3 2026 B10R1.13 c1cc(ccc1[N+](=O)[O-])S TS41511 [0,2,0,0,0,0|1,0,0]=3 2027 B10R1.13 c1cc(ncc1Br)C(=O)Cl TS49866 [0,2,0,0,0,0|1,0,0]=3 2028 B10R1.13 c1cc(ncc1Br)C(=O)N TS16791 [0,2,0,0,0,0|1,0,0]=3 2029 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [0,2,0,0,0,0|1,0,0]=3 2030 B10R1.13 c1cc(ncc1Br)[N+](=O)[O-] TS71437 [0,2,0,0,0,0|2,0,0]=4 2031 B10R1.13 c1cc(ncc1C(=N)N)F TS92781 [0,2,0,0,0,0|2,0,0]=4 2032 B10R1.13 c1cc(ncc1C(=O)Cl)Cl TS46030 [0,2,0,0,0,0|1,0,0]=3 2033 B10R1.13 c1cc(ncc1C(=O)N)Cl TS85258 [0,2,0,0,0,0|1,0,0]=3 2034 B10R1.13 c1cc(ncc1C(=O)N)N TS06177 [0,2,0,0,0,0|1,0,0]=3 2035 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [0,2,0,0,0,0|1,0,0]=3 2036 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [0,2,0,0,0,0|1,0,0]=3 2037 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [0,2,0,0,0,0|1,0,0]=3 2038 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [0,2,0,0,0,0|1,0,0]=3 2039 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [0,2,0,0,0,0|1,0,0]=3 2040 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [0,2,0,0,0,0|1,0,0]=3 2041 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [0,2,0,0,0,0|1,0,0]=3 2042 B10R1.13 c1cc(ncc1Cl)C(=N)N TS87123 [0,2,0,0,0,0|2,0,0]=4 2043 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [0,2,0,0,0,0|1,0,0]=3 2044 B10R1.13 c1cc(ncc1Cl)[N+](=O)[O-] TS03258 [0,2,0,0,0,0|2,0,0]=4 2045 B10R1.13 c1cc(ncc1F)C(=N)N TS91292 [0,2,0,0,0,0|2,0,0]=4 2046 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [0,2,0,0,0,0|1,0,0]=3 2047 B10R1.13 c1cc(ncc1F)[N+](=O)[O-] TS03308 [0,2,0,0,0,0|2,0,0]=4 2048 B10R1.13 c1cc(ncc1N)C(=O)N TS39339 [0,2,0,0,0,0|1,0,0]=3 2049 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [0,2,0,0,0,0|1,0,0]=3 2050 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [0,2,0,0,0,0|1,0,0]=3 2051 B10R1.13 c1cc(ncc1N)[N+](=O)[O-] TS03221 [0,2,0,0,0,0|2,0,0]=4 2052 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [0,2,0,0,0,0|1,0,0]=3 2053 B10R1.13 c1cc(ncc1O)[N+](=O)[O-] TS55630 [0,2,0,0,0,0|2,0,0]=4 2054 B10R1.13 c1cc(ncc1[N+](=O)[O-])Br TS55133 [0,2,0,0,0,0|2,0,0]=4 2055 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl TS00925 [0,2,0,0,0,0|2,0,0]=4 2056 B10R1.13 c1cc(ncc1[N+](=O)[O-])F TS01017 [0,2,0,0,0,0|2,0,0]=4 2057 B10R1.13 c1cc(ncc1[N+](=O)[O-])I TS62780 [0,2,0,0,0,0|2,0,0]=4 2058 B10R1.13 c1cc(ncc1[N+](=O)[O-])N TS37258 [0,2,0,0,0,0|2,0,0]=4 2059 B10R1.13 c1cc(ncc1[N+](=O)[O-])O TS01055 [0,2,0,0,0,0|2,0,0]=4 2060 B10R1.13 c1cc(ncc1[N+](=O)[O-])S TS10668 [0,2,0,0,0,0|2,0,0]=4 2061 B10R1.13 c1cc(nnc1C(=O)N)Cl TS41834 [0,2,0,0,0,0|2,0,0]=4 2062 B10R1.13 c1cc(nnc1C(=O)O)Cl TS55585 [0,2,0,0,0,0|2,0,0]=4 2063 B10R1.13 c1cc(nnc1C(=O)O)N TS01212 [0,2,0,0,0,0|2,0,0]=4 2064 B10R1.13 c1cc(nnc1C(=O)O)O TS88093 [0,2,0,0,0,0|2,0,0]=4 2065 B10R1.13 c1cn(=O)ccc1C(=O)O TS39932 [0,2,0,0,0,0|1,0,0]=3 2066 B10R1.13 c1cn(=O)ccc1N(=O)=O TS71263 [0,2,0,0,0,0|2,0,0]=4 2067 B10R1.25 C#Cc1ccc(cc1F)Br TS18764 [0,2,0,0,0,0|1,0,1]=4 2068 B10R1.25 C=Cc1ccc(cc1F)F TS06427 [0,2,0,0,0,0|1,0,0]=3 2069 B10R1.25 CCc1ccc(cc1C)C TS36871 [0,2,0,0,0,0|1,0,1]=4 2070 B10R1.25 CCc1ccc(cc1O)O TS06247 [0,2,0,0,0,0|1,0,1]=4 2071 B10R1.25 CNc1ccc(cc1F)F TS40063 [0,2,0,0,0,0|2,0,0]=4 2072 B10R1.25 COc1ccc(cc1Br)Br TS73450 [0,2,0,0,0,0|2,0,0]=4 2073 B10R1.25 COc1ccc(cc1Br)Cl TS16842 [0,2,0,0,0,0|2,0,0]=4 2074 B10R1.25 COc1ccc(cc1Br)F TS55106 [0,2,0,0,0,0|2,0,0]=4 2075 B10R1.25 COc1ccc(cc1Cl)Br TS00004 [0,2,0,0,0,0|2,0,0]=4 2076 B10R1.25 COc1ccc(cc1Cl)Cl TS13955 [0,2,0,0,0,0|2,0,0]=4 2077 B10R1.25 COc1ccc(cc1Cl)F TS09271 [0,2,0,0,0,0|2,0,0]=4 2078 B10R1.25 COc1ccc(cc1Cl)N TS10908 [0,2,0,0,0,0|2,0,0]=4 2079 B10R1.25 COc1ccc(cc1F)Br TS60384 [0,2,0,0,0,0|2,0,0]=4 2080 B10R1.25 COc1ccc(cc1F)Cl TS39482 [0,2,0,0,0,0|2,0,0]=4 2081 B10R1.25 COc1ccc(cc1F)F TS09234 [0,2,0,0,0,0|2,0,0]=4 2082 B10R1.25 COc1ccc(cc1F)N TS02745 [0,2,0,0,0,0|2,0,0]=4 2083 B10R1.25 COc1ccc(cc1F)O TS02753 [0,2,0,0,0,0|2,0,0]=4 2084 B10R1.25 COc1ccc(cc1F)S TS10975 [0,2,0,0,0,0|2,0,0]=4 2085 B10R1.25 COc1ccc(cc1I)Cl TS39489 [0,2,0,0,0,0|2,0,0]=4 2086 B10R1.25 COc1ccc(cc1I)N TS39440 [0,2,0,0,0,0|2,0,0]=4 2087 B10R1.25 COc1ccc(cc1I)N TS54863 [0,2,0,0,0,0|2,0,0]=4 2088 B10R1.25 COc1ccc(cc1N)Br TS38194 [0,2,0,0,0,0|2,0,0]=4 2089 B10R1.25 COc1ccc(cc1N)Cl TS03051 [0,2,0,0,0,0|2,0,0]=4 2090 B10R1.25 COc1ccc(cc1N)Cl TS10909 [0,2,0,0,0,0|2,0,0]=4 2091 B10R1.25 COc1ccc(cc1N)Cl TS17765 [0,2,0,0,0,0|2,0,0]=4 2092 B10R1.25 COc1ccc(cc1N)F TS07833 [0,2,0,0,0,0|2,0,0]=4 2093 B10R1.25 COc1ccc(cc1N)I TS65363 [0,2,0,0,0,0|2,0,0]=4 2094 B10R1.25 COc1ccc(cc1N)N TS37199 [0,2,0,0,0,0|2,0,0]=4 2095 B10R1.25 COc1ccc(cc1N)N TS43949 [0,2,0,0,0,0|2,0,0]=4 2096 B10R1.25 COc1ccc(cc1N)N TS56780 [0,2,0,0,0,0|2,0,0]=4 2097 B10R1.25 COc1ccc(cc1O)Br TS85281 [0,2,0,0,0,0|2,0,0]=4 2098 B10R1.25 COc1ccc(cc1O)F TS07835 [0,2,0,0,0,0|2,0,0]=4 2099 B10R1.25 COc1ccc(cc1O)N TS37282 [0,2,0,0,0,0|2,0,0]=4 2100 B10R1.25 COc1ccc(cc1O)O TS06433 [0,2,0,0,0,0|2,0,0]=4 2101 B10R1.25 COc1ccc(cc1S)F TS10974 [0,2,0,0,0,0|2,0,0]=4 2102 B10R1.25 CSc1ccc(cc1Cl)N TS45707 [0,2,0,0,0,0|2,0,0]=4 2103 B10R1.25 Cc1c(ccc(n1)Cl)C=O TS10618 [0,2,0,0,0,0|1,0,0]=3 2104 B10R1.25 Cc1c(ccc(n1)F)C=O TS85125 [0,2,0,0,0,0|1,0,0]=3 2105 B10R1.25 Cc1cc(ccc1C#N)Br TS70961 [0,2,0,0,0,0|1,0,1]=4 2106 B10R1.25 Cc1cc(ccc1C#N)Cl TS41072 [0,2,0,0,0,0|1,0,1]=4 2107 B10R1.25 Cc1cc(ccc1C#N)F TS09703 [0,2,0,0,0,0|1,0,1]=4 2108 B10R1.25 Cc1cc(ccc1C=O)Cl TS71020 [0,2,0,0,0,0|0,0,0]=2 2109 B10R1.25 Cc1cc(ccc1C=O)F TS65134 [0,2,0,0,0,0|0,0,0]=2 2110 B10R1.25 Cc1cc(ccc1C=O)O TS03103 [0,2,0,0,0,0|0,0,0]=2 2111 B10R1.25 Cc1cc(ccc1CN)Cl TS10634 [0,2,0,0,0,0|1,0,1]=4 2112 B10R1.25 Cc1cc(ccc1CN)F TS37292 [0,2,0,0,0,0|1,0,1]=4 2113 B10R1.25 Cc1cc(ccc1CO)F TS06460 [0,2,0,0,0,0|0,0,2]=4 2114 B10R1.25 Cc1cc(ccc1NN)Cl TS51589 [0,2,0,0,0,0|2,0,0]=4 2115 B10R1.25 Cc1cc(ccc1NN)F TS37376 [0,2,0,0,0,0|2,0,0]=4 2116 B10R1.25 Cc1cc(ccc1OC)Br TS38047 [0,2,0,0,0,0|2,0,0]=4 2117 B10R1.25 Cc1cc(ccc1OC)Cl TS10800 [0,2,0,0,0,0|2,0,0]=4 2118 B10R1.25 Cc1cc(ccc1OC)F TS06457 [0,2,0,0,0,0|2,0,0]=4 2119 B10R1.25 Cc1cc(ccc1OC)I TS62512 [0,2,0,0,0,0|2,0,0]=4 2120 B10R1.25 Cc1cc(ccc1OC)N TS71211 [0,2,0,0,0,0|2,0,0]=4 2121 B10R1.25 Cc1cc(ccc1SC)O TS41411 [0,2,0,0,0,0|2,0,0]=4 2122 B10R1.25 Cc1cc(ccc1[Mg]Br)F TS21539 [0,2,0,0,0,0|2,0,0]=4 2123 B10R1.25 Cc1cc(ccc1[N+]#[C-])F TS05985 [0,2,0,0,0,0|2,0,0]=4 2124 B10R1.25 Cc1cc(cnc1C=O)Br TS16993 [0,2,0,0,0,0|1,0,0]=3 2125 B10R1.25 Cc1cc(ncc1C=O)Cl TS10623 [0,2,0,0,0,0|1,0,0]=3 2126 B10R1.25 Cc1ccc(c(c1)Br)C#N TS60262 [0,2,0,0,0,0|1,0,1]=4 2127 B10R1.25 Cc1ccc(c(c1)Br)C=O TS08331 [0,2,0,0,0,0|0,0,0]=2 2128 B10R1.25 Cc1ccc(c(c1)Br)OC TS09331 [0,2,0,0,0,0|2,0,0]=4 2129 B10R1.25 Cc1ccc(c(c1)Br)[N+]#[C-] TS18164 [0,2,0,0,0,0|2,0,0]=4 2130 B10R1.25 Cc1ccc(c(c1)C)C#N TS05671 [0,2,0,0,0,0|1,0,1]=4 2131 B10R1.25 Cc1ccc(c(c1)C)C=C TS05767 [0,2,0,0,0,0|1,0,0]=3 2132 B10R1.25 Cc1ccc(c(c1)C)C=O TS36832 [0,2,0,0,0,0|0,0,0]=2 2133 B10R1.25 Cc1ccc(c(c1)C)CBr TS54162 [0,2,0,0,0,0|1,0,1]=4 2134 B10R1.25 Cc1ccc(c(c1)C)CCl TS41471 [0,2,0,0,0,0|1,0,1]=4 2135 B10R1.25 Cc1ccc(c(c1)C)CN TS06003 [0,2,0,0,0,0|1,0,1]=4 2136 B10R1.25 Cc1ccc(c(c1)C)CO TS37015 [0,2,0,0,0,0|0,0,2]=4 2137 B10R1.25 Cc1ccc(c(c1)C)NN TS00644 [0,2,0,0,0,0|2,0,0]=4 2138 B10R1.25 Cc1ccc(c(c1)C)OC TS06090 [0,2,0,0,0,0|2,0,0]=4 2139 B10R1.25 Cc1ccc(c(c1)Cl)C#N TS55233 [0,2,0,0,0,0|1,0,1]=4 2140 B10R1.25 Cc1ccc(c(c1)Cl)NN TS08829 [0,2,0,0,0,0|2,0,0]=4 2141 B10R1.25 Cc1ccc(c(c1)Cl)OC TS41726 [0,2,0,0,0,0|2,0,0]=4 2142 B10R1.25 Cc1ccc(c(c1)F)C#N TS55342 [0,2,0,0,0,0|1,0,1]=4 2143 B10R1.25 Cc1ccc(c(c1)F)C=O TS01780 [0,2,0,0,0,0|0,0,0]=2 2144 B10R1.25 Cc1ccc(c(c1)F)NN TS13943 [0,2,0,0,0,0|2,0,0]=4 2145 B10R1.25 Cc1ccc(c(c1)F)OC TS06451 [0,2,0,0,0,0|2,0,0]=4 2146 B10R1.25 Cc1ccc(c(c1)I)OC TS39442 [0,2,0,0,0,0|2,0,0]=4 2147 B10R1.25 Cc1ccc(c(c1)N)C#N TS65364 [0,2,0,0,0,0|1,0,1]=4 2148 B10R1.25 Cc1ccc(c(c1)N)OC TS06191 [0,2,0,0,0,0|2,0,0]=4 2149 B10R1.25 Cc1ccc(c(c1)O)C#N TS01044 [0,2,0,0,0,0|1,0,1]=4 2150 B10R1.25 Cc1ccc(c(c1)O)C=O TS01043 [0,2,0,0,0,0|0,0,0]=2 2151 B10R1.25 Cc1ccc(c(c1)O)OC TS06265 [0,2,0,0,0,0|2,0,0]=4 2152 B10R1.25 Cc1ccc(c(n1)C)C=O TS00707 [0,2,0,0,0,0|1,0,0]=3 2153 B10R1.25 Cc1ccc(c(n1)Cl)C=O TS10622 [0,2,0,0,0,0|1,0,0]=3 2154 B10R1.25 Cc1ccc(c(n1)N)C=O TS06053 [0,2,0,0,0,0|1,0,0]=3 2155 B10R1.25 [C-]#[N+]c1ccc(cc1Cl)Br TS49173 [0,2,0,0,0,0|2,0,0]=4 2156 B10R1.25 [C-]#[N+]c1ccc(cc1F)Br TS18922 [0,2,0,0,0,0|2,0,0]=4 2157 B10R1.25 c1c(c(=O)[nH]c(=O)[nH]1)C=O TS02258 [0,2,0,0,0,0|2,0,0]=4 2158 B10R1.25 c1c(c(cnc1Cl)C=O)Cl TS86372 [0,2,0,0,0,0|1,0,0]=3 2159 B10R1.25 c1c(c(nc(n1)Cl)Cl)C=O TS87087 [0,2,0,0,0,0|2,0,0]=4 2160 B10R1.25 c1c(c(nc(n1)N)N)C=O TS37164 [0,2,0,0,0,0|2,0,0]=4 2161 B10R1.25 c1c(cnc(c1F)C=O)Br TS85779 [0,2,0,0,0,0|1,0,0]=3 2162 B10R1.25 c1c(nc(c(n1)C=O)Cl)Cl TS85689 [0,2,0,0,0,0|2,0,0]=4 2163 B10R1.25 c1cc(c(cc1Br)Cl)C#N TS60048 [0,2,0,0,0,0|1,0,1]=4 2164 B10R1.25 c1cc(c(cc1Br)Cl)C=O TS00880 [0,2,0,0,0,0|0,0,0]=2 2165 B10R1.25 c1cc(c(cc1Br)F)C=O TS16938 [0,2,0,0,0,0|0,0,0]=2 2166 B10R1.25 c1cc(c(cc1Br)F)CCl TS50366 [0,2,0,0,0,0|1,0,1]=4 2167 B10R1.25 c1cc(c(cc1Br)F)CN TS00009 [0,2,0,0,0,0|1,0,1]=4 2168 B10R1.25 c1cc(c(cc1Br)F)CN TS26597 [0,2,0,0,0,0|1,0,1]=4 2169 B10R1.25 c1cc(c(cc1Br)F)CO TS60386 [0,2,0,0,0,0|0,0,2]=4 2170 B10R1.25 c1cc(c(cc1Br)F)CS TS49908 [0,2,0,0,0,0|0,1,1]=4 2171 B10R1.25 c1cc(c(cc1Br)O)C#N TS70956 [0,2,0,0,0,0|1,0,1]=4 2172 B10R1.25 c1cc(c(cc1Br)O)C=O TS16946 [0,2,0,0,0,0|0,0,0]=2 2173 B10R1.25 c1cc(c(cc1Br)O)CO TS60424 [0,2,0,0,0,0|0,0,2]=4 2174 B10R1.25 c1cc(c(cc1Cl)Br)C#N TS49172 [0,2,0,0,0,0|1,0,1]=4 2175 B10R1.25 c1cc(c(cc1Cl)Cl)C#N TS13096 [0,2,0,0,0,0|1,0,1]=4 2176 B10R1.25 c1cc(c(cc1Cl)Cl)C=O TS13611 [0,2,0,0,0,0|0,0,0]=2 2177 B10R1.25 c1cc(c(cc1Cl)Cl)CCl TS52075 [0,2,0,0,0,0|1,0,1]=4 2178 B10R1.25 c1cc(c(cc1Cl)Cl)CN TS46039 [0,2,0,0,0,0|1,0,1]=4 2179 B10R1.25 c1cc(c(cc1Cl)Cl)CO TS13963 [0,2,0,0,0,0|0,0,2]=4 2180 B10R1.25 c1cc(c(cc1Cl)Cl)CS TS51591 [0,2,0,0,0,0|0,1,1]=4 2181 B10R1.25 c1cc(c(cc1Cl)Cl)[N+]#N TS45715 [0,2,0,0,0,0|2,0,0]=4 2182 B10R1.25 c1cc(c(cc1Cl)Cl)[N+]#N TS68438 [0,2,0,0,0,0|2,0,0]=4 2183 B10R1.25 c1cc(c(cc1Cl)F)C=O TS11081 [0,2,0,0,0,0|0,0,0]=2 2184 B10R1.25 c1cc(c(cc1Cl)F)CBr TS39484 [0,2,0,0,0,0|1,0,1]=4 2185 B10R1.25 c1cc(c(cc1Cl)F)CCl TS47666 [0,2,0,0,0,0|1,0,1]=4 2186 B10R1.25 c1cc(c(cc1Cl)F)CN TS18170 [0,2,0,0,0,0|1,0,1]=4 2187 B10R1.25 c1cc(c(cc1Cl)F)CN TS39485 [0,2,0,0,0,0|1,0,1]=4 2188 B10R1.25 c1cc(c(cc1Cl)F)CO TS42237 [0,2,0,0,0,0|0,0,2]=4 2189 B10R1.25 c1cc(c(cc1Cl)F)NN TS39487 [0,2,0,0,0,0|2,0,0]=4 2190 B10R1.25 c1cc(c(cc1Cl)F)NN TS42240 [0,2,0,0,0,0|2,0,0]=4 2191 B10R1.25 c1cc(c(cc1Cl)N)C#N TS41211 [0,2,0,0,0,0|1,0,1]=4 2192 B10R1.25 c1cc(c(cc1Cl)O)C=O TS03046 [0,2,0,0,0,0|0,0,0]=2 2193 B10R1.25 c1cc(c(cc1F)Br)C#N TS08317 [0,2,0,0,0,0|1,0,1]=4 2194 B10R1.25 c1cc(c(cc1F)Br)C=O TS08316 [0,2,0,0,0,0|0,0,0]=2 2195 B10R1.25 c1cc(c(cc1F)Br)CBr TS08318 [0,2,0,0,0,0|1,0,1]=4 2196 B10R1.25 c1cc(c(cc1F)Br)CN TS26596 [0,2,0,0,0,0|1,0,1]=4 2197 B10R1.25 c1cc(c(cc1F)Br)CO TS19894 [0,2,0,0,0,0|0,0,2]=4 2198 B10R1.25 c1cc(c(cc1F)Cl)C#N TS85439 [0,2,0,0,0,0|1,0,1]=4 2199 B10R1.25 c1cc(c(cc1F)Cl)C=O TS00884 [0,2,0,0,0,0|0,0,0]=2 2200 B10R1.25 c1cc(c(cc1F)Cl)CBr TS09272 [0,2,0,0,0,0|1,0,1]=4 2201 B10R1.25 c1cc(c(cc1F)Cl)CCl TS47667 [0,2,0,0,0,0|1,0,1]=4 2202 B10R1.25 c1cc(c(cc1F)Cl)CN TS09273 [0,2,0,0,0,0|1,0,1]=4 2203 B10R1.25 c1cc(c(cc1F)Cl)CO TS42235 [0,2,0,0,0,0|0,0,2]=4 2204 B10R1.25 c1cc(c(cc1F)Cl)NN TS18403 [0,2,0,0,0,0|2,0,0]=4 2205 B10R1.25 c1cc(c(cc1F)F)C#N TS00631 [0,2,0,0,0,0|1,0,1]=4 2206 B10R1.25 c1cc(c(cc1F)F)C=O TS00628 [0,2,0,0,0,0|0,0,0]=2 2207 B10R1.25 c1cc(c(cc1F)F)CCl TS09236 [0,2,0,0,0,0|1,0,1]=4 2208 B10R1.25 c1cc(c(cc1F)F)CN TS00632 [0,2,0,0,0,0|1,0,1]=4 2209 B10R1.25 c1cc(c(cc1F)F)CO TS09235 [0,2,0,0,0,0|0,0,2]=4 2210 B10R1.25 c1cc(c(cc1F)F)NN TS47218 [0,2,0,0,0,0|2,0,0]=4 2211 B10R1.25 c1cc(c(cc1F)F)NN TS47219 [0,2,0,0,0,0|2,0,0]=4 2212 B10R1.25 c1cc(c(cc1F)I)CBr TS76743 [0,2,0,0,0,0|1,0,1]=4 2213 B10R1.25 c1cc(c(cc1F)N)C#N TS00752 [0,2,0,0,0,0|1,0,1]=4 2214 B10R1.25 c1cc(c(cc1F)N)CBr TS19670 [0,2,0,0,0,0|1,0,1]=4 2215 B10R1.25 c1cc(c(cc1F)N)CCl TS11188 [0,2,0,0,0,0|1,0,1]=4 2216 B10R1.25 c1cc(c(cc1F)O)C=O TS71141 [0,2,0,0,0,0|0,0,0]=2 2217 B10R1.25 c1cc(c(cc1I)Br)C=O TS08969 [0,2,0,0,0,0|0,0,0]=2 2218 B10R1.25 c1cc(c(cc1I)F)C#N TS09295 [0,2,0,0,0,0|1,0,1]=4 2219 B10R1.25 c1cc(c(cc1I)F)C=O TS08418 [0,2,0,0,0,0|0,0,0]=2 2220 B10R1.25 c1cc(c(cc1N)Cl)C#N TS39462 [0,2,0,0,0,0|1,0,1]=4 2221 B10R1.25 c1cc(c(cc1N)F)C#N TS71089 [0,2,0,0,0,0|1,0,1]=4 2222 B10R1.25 c1cc(c(cc1O)Cl)C#N TS09274 [0,2,0,0,0,0|1,0,1]=4 2223 B10R1.25 c1cc(c(cc1O)Cl)C=O TS10791 [0,2,0,0,0,0|0,0,0]=2 2224 B10R1.25 c1cc(c(cc1O)F)C#N TS09292 [0,2,0,0,0,0|1,0,1]=4 2225 B10R1.25 c1cc(c(cc1O)F)C=O TS08415 [0,2,0,0,0,0|0,0,0]=2 2226 B10R1.25 c1cc(c(cc1O)O)C#N TS07698 [0,2,0,0,0,0|1,0,1]=4 2227 B10R1.25 c1cc(c(cc1O)O)C=O TS47229 [0,2,0,0,0,0|0,0,0]=2 2228 B10R1.25 c1cc(c(cc1O)O)CO TS37344 [0,2,0,0,0,0|0,0,2]=4 2229 B10R1.25 c1cc(c(cc1O)O)N=O TS06355 [0,2,0,0,0,0|1,0,0]=3 2230 B10R1.25 c1cc(nc(c1C=O)Br)Br TS88121 [0,2,0,0,0,0|1,0,0]=3 2231 B10R1.25 c1cc(nc(c1C=O)Cl)Cl TS47285 [0,2,0,0,0,0|1,0,0]=3 2232 B10R1.25 c1cc(nc(c1C=O)F)F TS40047 [0,2,0,0,0,0|1,0,0]=3 2233 B10R1.25 c1cc(nc(c1N=O)N)N TS37163 [0,2,0,0,0,0|2,0,0]=4 2234 B10R1.176 C#Cc1ccc(c(c1)Cl)Cl TS46781 [0,2,0,0,0,0|1,0,1]=4 2235 B10R1.176 C#Cc1ccc(c(c1)F)F TS06225 [0,2,0,0,0,0|1,0,1]=4 2236 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl TS45579 [0,2,0,0,0,0|1,0,0]=3 2237 B10R1.176 C=Cc1ccc(c(c1)F)F TS06429 [0,2,0,0,0,0|1,0,0]=3 2238 B10R1.176 CCc1ccc(c(c1)C)C TS05926 [0,2,0,0,0,0|1,0,1]=4 2239 B10R1.176 CCc1ccc(c(c1)O)Cl TS41725 [0,2,0,0,0,0|1,0,1]=4 2240 B10R1.176 CCc1ccc(c(c1)O)N TS45705 [0,2,0,0,0,0|1,0,1]=4 2241 B10R1.176 CCc1ccc(c(c1)O)O TS06251 [0,2,0,0,0,0|1,0,1]=4 2242 B10R1.176 COc1ccc(c(c1)Br)Br TS65444 [0,2,0,0,0,0|2,0,0]=4 2243 B10R1.176 COc1ccc(c(c1)Br)Cl TS09326 [0,2,0,0,0,0|2,0,0]=4 2244 B10R1.176 COc1ccc(c(c1)Br)N TS19316 [0,2,0,0,0,0|2,0,0]=4 2245 B10R1.176 COc1ccc(c(c1)Cl)Br TS09571 [0,2,0,0,0,0|2,0,0]=4 2246 B10R1.176 COc1ccc(c(c1)Cl)Cl TS13958 [0,2,0,0,0,0|2,0,0]=4 2247 B10R1.176 COc1ccc(c(c1)Cl)F TS42230 [0,2,0,0,0,0|2,0,0]=4 2248 B10R1.176 COc1ccc(c(c1)Cl)O TS55224 [0,2,0,0,0,0|2,0,0]=4 2249 B10R1.176 COc1ccc(c(c1)F)Br TS32865 [0,2,0,0,0,0|2,0,0]=4 2250 B10R1.176 COc1ccc(c(c1)F)Cl TS07778 [0,2,0,0,0,0|2,0,0]=4 2251 B10R1.176 COc1ccc(c(c1)F)F TS60319 [0,2,0,0,0,0|2,0,0]=4 2252 B10R1.176 COc1ccc(c(c1)F)N TS55333 [0,2,0,0,0,0|2,0,0]=4 2253 B10R1.176 COc1ccc(c(c1)F)O TS55337 [0,2,0,0,0,0|2,0,0]=4 2254 B10R1.176 COc1ccc(c(c1)I)Br TS61047 [0,2,0,0,0,0|2,0,0]=4 2255 B10R1.176 COc1ccc(c(c1)I)N TS60298 [0,2,0,0,0,0|2,0,0]=4 2256 B10R1.176 COc1ccc(c(c1)N)Br TS08349 [0,2,0,0,0,0|2,0,0]=4 2257 B10R1.176 COc1ccc(c(c1)N)Cl TS08442 [0,2,0,0,0,0|2,0,0]=4 2258 B10R1.176 COc1ccc(c(c1)N)Cl TS55252 [0,2,0,0,0,0|2,0,0]=4 2259 B10R1.176 COc1ccc(c(c1)N)F TS09302 [0,2,0,0,0,0|2,0,0]=4 2260 B10R1.176 COc1ccc(c(c1)N)N TS94383 [0,2,0,0,0,0|2,0,0]=4 2261 B10R1.176 COc1ccc(c(c1)N)O TS08806 [0,2,0,0,0,0|2,0,0]=4 2262 B10R1.176 COc1ccc(c(c1)O)Br TS08352 [0,2,0,0,0,0|2,0,0]=4 2263 B10R1.176 COc1ccc(c(c1)O)Cl TS11086 [0,2,0,0,0,0|2,0,0]=4 2264 B10R1.176 COc1ccc(c(c1)O)N TS13758 [0,2,0,0,0,0|2,0,0]=4 2265 B10R1.176 CSc1ccc(c(c1)Cl)Cl TS51593 [0,2,0,0,0,0|2,0,0]=4 2266 B10R1.176 Cc1c(ccc(n1)C=O)F TS32659 [0,2,0,0,0,0|1,0,0]=3 2267 B10R1.176 Cc1cc(ccc1Br)C#N TS08996 [0,2,0,0,0,0|1,0,1]=4 2268 B10R1.176 Cc1cc(ccc1Br)NN TS19153 [0,2,0,0,0,0|2,0,0]=4 2269 B10R1.176 Cc1cc(ccc1Br)OC TS09585 [0,2,0,0,0,0|2,0,0]=4 2270 B10R1.176 Cc1cc(ccc1Cl)C#N TS07783 [0,2,0,0,0,0|1,0,1]=4 2271 B10R1.176 Cc1cc(ccc1Cl)C=O TS16662 [0,2,0,0,0,0|0,0,0]=2 2272 B10R1.176 Cc1cc(ccc1Cl)NN TS51588 [0,2,0,0,0,0|2,0,0]=4 2273 B10R1.176 Cc1cc(ccc1Cl)OC TS41716 [0,2,0,0,0,0|2,0,0]=4 2274 B10R1.176 Cc1cc(ccc1F)C#C TS05890 [0,2,0,0,0,0|1,0,1]=4 2275 B10R1.176 Cc1cc(ccc1F)C#N TS60403 [0,2,0,0,0,0|1,0,1]=4 2276 B10R1.176 Cc1cc(ccc1F)C=O TS71119 [0,2,0,0,0,0|0,0,0]=2 2277 B10R1.176 Cc1cc(ccc1F)CBr TS38382 [0,2,0,0,0,0|1,0,1]=4 2278 B10R1.176 Cc1cc(ccc1F)CN TS39504 [0,2,0,0,0,0|1,0,1]=4 2279 B10R1.176 Cc1cc(ccc1F)CO TS37371 [0,2,0,0,0,0|0,0,2]=4 2280 B10R1.176 Cc1cc(ccc1F)OC TS60402 [0,2,0,0,0,0|2,0,0]=4 2281 B10R1.176 Cc1cc(ccc1N)C#N TS70891 [0,2,0,0,0,0|1,0,1]=4 2282 B10R1.176 Cc1cc(ccc1N)OC TS71202 [0,2,0,0,0,0|2,0,0]=4 2283 B10R1.176 Cc1cc(cnc1Br)C=O TS18938 [0,2,0,0,0,0|1,0,0]=3 2284 B10R1.176 Cc1cc(cnc1F)C=O TS00997 [0,2,0,0,0,0|1,0,0]=3 2285 B10R1.176 Cc1cc(ncc1Cl)C=O TS10620 [0,2,0,0,0,0|1,0,0]=3 2286 B10R1.176 Cc1ccc(cc1Br)C#N TS09457 [0,2,0,0,0,0|1,0,1]=4 2287 B10R1.176 Cc1ccc(cc1C)C#N TS65764 [0,2,0,0,0,0|1,0,1]=4 2288 B10R1.176 Cc1ccc(cc1C)C=O TS05906 [0,2,0,0,0,0|0,0,0]=2 2289 B10R1.176 Cc1ccc(cc1C)CCl TS41472 [0,2,0,0,0,0|1,0,1]=4 2290 B10R1.176 Cc1ccc(cc1C)CN TS65456 [0,2,0,0,0,0|1,0,1]=4 2291 B10R1.176 Cc1ccc(cc1C)CO TS65455 [0,2,0,0,0,0|0,0,2]=4 2292 B10R1.176 Cc1ccc(cc1C)NN TS13274 [0,2,0,0,0,0|2,0,0]=4 2293 B10R1.176 Cc1ccc(cc1C)OC TS06079 [0,2,0,0,0,0|2,0,0]=4 2294 B10R1.176 Cc1ccc(cc1Cl)C#N TS02025 [0,2,0,0,0,0|1,0,1]=4 2295 B10R1.176 Cc1ccc(cc1Cl)C=O TS41459 [0,2,0,0,0,0|0,0,0]=2 2296 B10R1.176 Cc1ccc(cc1Cl)CCl TS13624 [0,2,0,0,0,0|1,0,1]=4 2297 B10R1.176 Cc1ccc(cc1Cl)CN TS07745 [0,2,0,0,0,0|1,0,1]=4 2298 B10R1.176 Cc1ccc(cc1Cl)CO TS41715 [0,2,0,0,0,0|0,0,2]=4 2299 B10R1.176 Cc1ccc(cc1Cl)NN TS02033 [0,2,0,0,0,0|2,0,0]=4 2300 B10R1.176 Cc1ccc(cc1Cl)OC TS65983 [0,2,0,0,0,0|2,0,0]=4 2301 B10R1.176 Cc1ccc(cc1F)C#N TS02757 [0,2,0,0,0,0|1,0,1]=4 2302 B10R1.176 Cc1ccc(cc1F)CBr TS38381 [0,2,0,0,0,0|1,0,1]=4 2303 B10R1.176 Cc1ccc(cc1F)CCl TS11091 [0,2,0,0,0,0|1,0,1]=4 2304 B10R1.176 Cc1ccc(cc1F)CN TS65517 [0,2,0,0,0,0|1,0,1]=4 2305 B10R1.176 Cc1ccc(cc1F)CO TS06453 [0,2,0,0,0,0|0,0,2]=4 2306 B10R1.176 Cc1ccc(cc1F)NN TS65519 [0,2,0,0,0,0|2,0,0]=4 2307 B10R1.176 Cc1ccc(cc1F)OC TS65516 [0,2,0,0,0,0|2,0,0]=4 2308 B10R1.176 Cc1ccc(cc1N)C#N TS65469 [0,2,0,0,0,0|1,0,1]=4 2309 B10R1.176 Cc1ccc(cc1N)OC TS39535 [0,2,0,0,0,0|2,0,0]=4 2310 B10R1.176 Cc1ccc(cc1O)C=O TS36990 [0,2,0,0,0,0|0,0,0]=2 2311 B10R1.176 Cn1ccc(cc1=O)C=O TS91817 [0,2,0,0,0,0|1,0,0]=3 2312 B10R1.176 [C-]#[N+]c1ccc(c(c1)Cl)Cl TS13097 [0,2,0,0,0,0|2,0,0]=4 2313 B10R1.176 c1c(cnc(c1Cl)Cl)C=O TS47146 [0,2,0,0,0,0|1,0,0]=3 2314 B10R1.176 c1c(cnc(c1Cl)O)C=O TS85209 [0,2,0,0,0,0|1,0,0]=3 2315 B10R1.176 c1cc(c(cc1C#N)Br)Cl TS65916 [0,2,0,0,0,0|1,0,1]=4 2316 B10R1.176 c1cc(c(cc1C#N)Br)F TS09444 [0,2,0,0,0,0|1,0,1]=4 2317 B10R1.176 c1cc(c(cc1C#N)Br)N TS39468 [0,2,0,0,0,0|1,0,1]=4 2318 B10R1.176 c1cc(c(cc1C#N)Br)O TS01840 [0,2,0,0,0,0|1,0,1]=4 2319 B10R1.176 c1cc(c(cc1C#N)Cl)Cl TS13100 [0,2,0,0,0,0|1,0,1]=4 2320 B10R1.176 c1cc(c(cc1C#N)Cl)F TS02683 [0,2,0,0,0,0|1,0,1]=4 2321 B10R1.176 c1cc(c(cc1C#N)Cl)N TS39469 [0,2,0,0,0,0|1,0,1]=4 2322 B10R1.176 c1cc(c(cc1C#N)Cl)O TS02694 [0,2,0,0,0,0|1,0,1]=4 2323 B10R1.176 c1cc(c(cc1C#N)F)Br TS09578 [0,2,0,0,0,0|1,0,1]=4 2324 B10R1.176 c1cc(c(cc1C#N)F)F TS65753 [0,2,0,0,0,0|1,0,1]=4 2325 B10R1.176 c1cc(c(cc1C#N)F)I TS65511 [0,2,0,0,0,0|1,0,1]=4 2326 B10R1.176 c1cc(c(cc1C#N)F)N TS02744 [0,2,0,0,0,0|1,0,1]=4 2327 B10R1.176 c1cc(c(cc1C#N)F)O TS65508 [0,2,0,0,0,0|1,0,1]=4 2328 B10R1.176 c1cc(c(cc1C#N)I)N TS70885 [0,2,0,0,0,0|1,0,1]=4 2329 B10R1.176 c1cc(c(cc1C#N)N)Cl TS65853 [0,2,0,0,0,0|1,0,1]=4 2330 B10R1.176 c1cc(c(cc1C#N)N)F TS65467 [0,2,0,0,0,0|1,0,1]=4 2331 B10R1.176 c1cc(c(cc1C#N)N)N TS02528 [0,2,0,0,0,0|1,0,1]=4 2332 B10R1.176 c1cc(c(cc1C#N)N)O TS60259 [0,2,0,0,0,0|1,0,1]=4 2333 B10R1.176 c1cc(c(cc1C#N)O)F TS39501 [0,2,0,0,0,0|1,0,1]=4 2334 B10R1.176 c1cc(c(cc1C#N)O)O TS65452 [0,2,0,0,0,0|1,0,1]=4 2335 B10R1.176 c1cc(c(cc1C=O)Br)Br TS29980 [0,2,0,0,0,0|0,0,0]=2 2336 B10R1.176 c1cc(c(cc1C=O)Br)F TS65921 [0,2,0,0,0,0|0,0,0]=2 2337 B10R1.176 c1cc(c(cc1C=O)Br)O TS19137 [0,2,0,0,0,0|0,0,0]=2 2338 B10R1.176 c1cc(c(cc1C=O)Cl)Cl TS02538 [0,2,0,0,0,0|0,0,0]=2 2339 B10R1.176 c1cc(c(cc1C=O)Cl)F TS02681 [0,2,0,0,0,0|0,0,0]=2 2340 B10R1.176 c1cc(c(cc1C=O)Cl)O TS02693 [0,2,0,0,0,0|0,0,0]=2 2341 B10R1.176 c1cc(c(cc1C=O)F)Br TS09575 [0,2,0,0,0,0|0,0,0]=2 2342 B10R1.176 c1cc(c(cc1C=O)F)Cl TS71035 [0,2,0,0,0,0|0,0,0]=2 2343 B10R1.176 c1cc(c(cc1C=O)F)F TS65750 [0,2,0,0,0,0|0,0,0]=2 2344 B10R1.176 c1cc(c(cc1C=O)F)I TS02750 [0,2,0,0,0,0|0,0,0]=2 2345 B10R1.176 c1cc(c(cc1C=O)F)O TS02747 [0,2,0,0,0,0|0,0,0]=2 2346 B10R1.176 c1cc(c(cc1C=O)I)F TS62781 [0,2,0,0,0,0|0,0,0]=2 2347 B10R1.176 c1cc(c(cc1C=O)I)I TS66266 [0,2,0,0,0,0|0,0,0]=2 2348 B10R1.176 c1cc(c(cc1C=O)I)O TS27693 [0,2,0,0,0,0|0,0,0]=2 2349 B10R1.176 c1cc(c(cc1C=O)O)I TS39306 [0,2,0,0,0,0|0,0,0]=2 2350 B10R1.176 c1cc(c(cc1C=O)O)O TS60159 [0,2,0,0,0,0|0,0,0]=2 2351 B10R1.176 c1cc(c(cc1CBr)Br)F TS09327 [0,2,0,0,0,0|1,0,1]=4 2352 B10R1.176 c1cc(c(cc1CBr)Cl)Cl TS02539 [0,2,0,0,0,0|1,0,1]=4 2353 B10R1.176 c1cc(c(cc1CBr)Cl)F TS02685 [0,2,0,0,0,0|1,0,1]=4 2354 B10R1.176 c1cc(c(cc1CBr)F)Br TS29436 [0,2,0,0,0,0|1,0,1]=4 2355 B10R1.176 c1cc(c(cc1CBr)F)Cl TS09634 [0,2,0,0,0,0|1,0,1]=4 2356 B10R1.176 c1cc(c(cc1CBr)F)F TS65754 [0,2,0,0,0,0|1,0,1]=4 2357 B10R1.176 c1cc(c(cc1CCl)Cl)F TS65497 [0,2,0,0,0,0|1,0,1]=4 2358 B10R1.176 c1cc(c(cc1CCl)F)Cl TS07779 [0,2,0,0,0,0|1,0,1]=4 2359 B10R1.176 c1cc(c(cc1CCl)F)F TS65755 [0,2,0,0,0,0|1,0,1]=4 2360 B10R1.176 c1cc(c(cc1CN)Br)O TS19315 [0,2,0,0,0,0|1,0,1]=4 2361 B10R1.176 c1cc(c(cc1CN)Cl)Cl TS46040 [0,2,0,0,0,0|1,0,1]=4 2362 B10R1.176 c1cc(c(cc1CN)Cl)F TS02691 [0,2,0,0,0,0|1,0,1]=4 2363 B10R1.176 c1cc(c(cc1CN)F)Cl TS11187 [0,2,0,0,0,0|1,0,1]=4 2364 B10R1.176 c1cc(c(cc1CN)F)F TS65451 [0,2,0,0,0,0|1,0,1]=4 2365 B10R1.176 c1cc(c(cc1CN)O)O TS06377 [0,2,0,0,0,0|1,0,1]=4 2366 B10R1.176 c1cc(c(cc1CN)O)O TS22688 [0,2,0,0,0,0|1,0,1]=4 2367 B10R1.176 c1cc(c(cc1CO)Br)O TS38375 [0,2,0,0,0,0|0,0,2]=4 2368 B10R1.176 c1cc(c(cc1CO)Cl)Cl TS13956 [0,2,0,0,0,0|0,0,2]=4 2369 B10R1.176 c1cc(c(cc1CO)Cl)F TS65496 [0,2,0,0,0,0|0,0,2]=4 2370 B10R1.176 c1cc(c(cc1CO)F)Br TS19893 [0,2,0,0,0,0|0,0,2]=4 2371 B10R1.176 c1cc(c(cc1CO)F)Cl TS42234 [0,2,0,0,0,0|0,0,2]=4 2372 B10R1.176 c1cc(c(cc1CO)F)F TS65450 [0,2,0,0,0,0|0,0,2]=4 2373 B10R1.176 c1cc(c(cc1CO)O)I TS39307 [0,2,0,0,0,0|0,0,2]=4 2374 B10R1.176 c1cc(c(cc1CO)O)O TS37342 [0,2,0,0,0,0|0,0,2]=4 2375 B10R1.176 c1cc(c(cc1CS)Cl)Cl TS51592 [0,2,0,0,0,0|0,1,1]=4 2376 B10R1.176 c1cc(c(cc1C[Zn+])F)F TS33417 [0,2,0,0,0,0|1,0,1]=4 2377 B10R1.176 c1cc(c(cc1NN)Cl)Cl TS21553 [0,2,0,0,0,0|2,0,0]=4 2378 B10R1.176 c1cc(c(cc1NN)Cl)F TS18404 [0,2,0,0,0,0|2,0,0]=4 2379 B10R1.176 c1cc(c(cc1NN)Cl)F TS42242 [0,2,0,0,0,0|2,0,0]=4 2380 B10R1.176 c1cc(c(cc1NN)F)F TS47994 [0,2,0,0,0,0|2,0,0]=4 2381 B10R1.176 c1cc(c(cc1NN)F)F TS65759 [0,2,0,0,0,0|2,0,0]=4 2382 B10R1.176 c1cc(c(cc1[Mg]Br)F)F TS49307 [0,2,0,0,0,0|2,0,0]=4 2383 B10R1.2 CCc1cccc(c1C)C TS36862 [0,2,0,0,0,0|1,0,1]=4 2384 B10R1.2 CCc1cccc(c1O)C TS06085 [0,2,0,0,0,0|1,0,1]=4 2385 B10R1.2 COc1cccc(c1Br)F TS08297 [0,2,0,0,0,0|2,0,0]=4 2386 B10R1.2 COc1cccc(c1Br)N TS39650 [0,2,0,0,0,0|2,0,0]=4 2387 B10R1.2 COc1cccc(c1Br)O TS38374 [0,2,0,0,0,0|2,0,0]=4 2388 B10R1.2 COc1cccc(c1Cl)Cl TS85190 [0,2,0,0,0,0|2,0,0]=4 2389 B10R1.2 COc1cccc(c1Cl)N TS55195 [0,2,0,0,0,0|2,0,0]=4 2390 B10R1.2 COc1cccc(c1F)Br TS65479 [0,2,0,0,0,0|2,0,0]=4 2391 B10R1.2 COc1cccc(c1F)Cl TS42232 [0,2,0,0,0,0|2,0,0]=4 2392 B10R1.2 COc1cccc(c1F)F TS02338 [0,2,0,0,0,0|2,0,0]=4 2393 B10R1.2 COc1cccc(c1F)O TS37550 [0,2,0,0,0,0|2,0,0]=4 2394 B10R1.2 COc1cccc(c1I)F TS09365 [0,2,0,0,0,0|2,0,0]=4 2395 B10R1.2 COc1cccc(c1N)F TS55365 [0,2,0,0,0,0|2,0,0]=4 2396 B10R1.2 COc1cccc(c1O)Br TS87716 [0,2,0,0,0,0|2,0,0]=4 2397 B10R1.2 COc1cccc(c1O)F TS65426 [0,2,0,0,0,0|2,0,0]=4 2398 B10R1.2 COc1cccc(c1O)O TS60018 [0,2,0,0,0,0|2,0,0]=4 2399 B10R1.2 Cc1c(c(ccn1)C=O)O TS37087 [0,2,0,0,0,0|1,0,0]=3 2400 B10R1.2 Cc1c(cccc1Cl)C#N TS41068 [0,2,0,0,0,0|1,0,1]=4 2401 B10R1.2 Cc1c(cccc1Cl)OC TS09315 [0,2,0,0,0,0|2,0,0]=4 2402 B10R1.2 Cc1c(cccc1Cl)SC TS13276 [0,2,0,0,0,0|2,0,0]=4 2403 B10R1.2 Cc1c(cccc1F)C#N TS08978 [0,2,0,0,0,0|1,0,1]=4 2404 B10R1.2 Cc1c(cccc1F)C=O TS08977 [0,2,0,0,0,0|0,0,0]=2 2405 B10R1.2 Cc1c(cccc1F)CO TS09370 [0,2,0,0,0,0|0,0,2]=4 2406 B10R1.2 Cc1c(cccc1N)CO TS37119 [0,2,0,0,0,0|0,0,2]=4 2407 B10R1.2 Cc1c(cccc1OC)N TS70644 [0,2,0,0,0,0|2,0,0]=4 2408 B10R1.2 Cc1cccc(c1C)C#N TS05675 [0,2,0,0,0,0|1,0,1]=4 2409 B10R1.2 Cc1cccc(c1C)C=O TS59680 [0,2,0,0,0,0|0,0,0]=2 2410 B10R1.2 Cc1cccc(c1C)CBr TS46745 [0,2,0,0,0,0|1,0,1]=4 2411 B10R1.2 Cc1cccc(c1C)CCl TS41469 [0,2,0,0,0,0|1,0,1]=4 2412 B10R1.2 Cc1cccc(c1C)CN TS36950 [0,2,0,0,0,0|1,0,1]=4 2413 B10R1.2 Cc1cccc(c1C)CO TS37020 [0,2,0,0,0,0|0,0,2]=4 2414 B10R1.2 Cc1cccc(c1C)NN TS13271 [0,2,0,0,0,0|2,0,0]=4 2415 B10R1.2 Cc1cccc(c1C)NN TS51214 [0,2,0,0,0,0|2,0,0]=4 2416 B10R1.2 Cc1cccc(c1C)OC TS02345 [0,2,0,0,0,0|2,0,0]=4 2417 B10R1.2 Cc1cccc(c1Cl)C#N TS32910 [0,2,0,0,0,0|1,0,1]=4 2418 B10R1.2 Cc1cccc(c1F)C#N TS02161 [0,2,0,0,0,0|1,0,1]=4 2419 B10R1.2 Cc1cccc(c1F)C=O TS37170 [0,2,0,0,0,0|0,0,0]=2 2420 B10R1.2 Cc1cccc(c1F)CBr TS09289 [0,2,0,0,0,0|1,0,1]=4 2421 B10R1.2 Cc1cccc(c1N)OC TS01100 [0,2,0,0,0,0|2,0,0]=4 2422 B10R1.2 Cc1cccc(c1O)C=O TS36989 [0,2,0,0,0,0|0,0,0]=2 2423 B10R1.2 Cc1cccc(c1O)OC TS55384 [0,2,0,0,0,0|2,0,0]=4 2424 B10R1.2 Cc1ccnc(c1Cl)C=O TS10624 [0,2,0,0,0,0|1,0,0]=3 2425 B10R1.2 Cc1ccnc(c1F)C=O TS02040 [0,2,0,0,0,0|1,0,0]=3 2426 B10R1.2 [C-]#[N+]c1cccc(c1Cl)Cl TS13101 [0,2,0,0,0,0|2,0,0]=4 2427 B10R1.2 c1cc(c(c(c1)Br)Br)C=O TS29979 [0,2,0,0,0,0|0,0,0]=2 2428 B10R1.2 c1cc(c(c(c1)Br)F)C#N TS01366 [0,2,0,0,0,0|1,0,1]=4 2429 B10R1.2 c1cc(c(c(c1)Br)O)C#N TS86717 [0,2,0,0,0,0|1,0,1]=4 2430 B10R1.2 c1cc(c(c(c1)Br)O)C=O TS65902 [0,2,0,0,0,0|0,0,0]=2 2431 B10R1.2 c1cc(c(c(c1)Cl)Cl)C#N TS47150 [0,2,0,0,0,0|1,0,1]=4 2432 B10R1.2 c1cc(c(c(c1)Cl)Cl)C=O TS47149 [0,2,0,0,0,0|0,0,0]=2 2433 B10R1.2 c1cc(c(c(c1)Cl)Cl)CBr TS07691 [0,2,0,0,0,0|1,0,1]=4 2434 B10R1.2 c1cc(c(c(c1)Cl)Cl)CCl TS52077 [0,2,0,0,0,0|1,0,1]=4 2435 B10R1.2 c1cc(c(c(c1)Cl)Cl)CN TS47151 [0,2,0,0,0,0|1,0,1]=4 2436 B10R1.2 c1cc(c(c(c1)Cl)Cl)CO TS02329 [0,2,0,0,0,0|0,0,2]=4 2437 B10R1.2 c1cc(c(c(c1)Cl)Cl)NN TS21555 [0,2,0,0,0,0|2,0,0]=4 2438 B10R1.2 c1cc(c(c(c1)Cl)F)C#N TS65484 [0,2,0,0,0,0|1,0,1]=4 2439 B10R1.2 c1cc(c(c(c1)Cl)F)C=O TS65968 [0,2,0,0,0,0|0,0,0]=2 2440 B10R1.2 c1cc(c(c(c1)Cl)F)CBr TS16732 [0,2,0,0,0,0|1,0,1]=4 2441 B10R1.2 c1cc(c(c(c1)Cl)F)CN TS11185 [0,2,0,0,0,0|1,0,1]=4 2442 B10R1.2 c1cc(c(c(c1)Cl)F)CO TS42233 [0,2,0,0,0,0|0,0,2]=4 2443 B10R1.2 c1cc(c(c(c1)Cl)F)NN TS65488 [0,2,0,0,0,0|2,0,0]=4 2444 B10R1.2 c1cc(c(c(c1)Cl)N)C#N TS08289 [0,2,0,0,0,0|1,0,1]=4 2445 B10R1.2 c1cc(c(c(c1)Cl)O)C=O TS10793 [0,2,0,0,0,0|0,0,0]=2 2446 B10R1.2 c1cc(c(c(c1)F)Br)C#N TS65375 [0,2,0,0,0,0|1,0,1]=4 2447 B10R1.2 c1cc(c(c(c1)F)Br)C=O TS38367 [0,2,0,0,0,0|0,0,0]=2 2448 B10R1.2 c1cc(c(c(c1)F)Cl)C#N TS41553 [0,2,0,0,0,0|1,0,1]=4 2449 B10R1.2 c1cc(c(c(c1)F)Cl)C=O TS08398 [0,2,0,0,0,0|0,0,0]=2 2450 B10R1.2 c1cc(c(c(c1)F)Cl)CBr TS08826 [0,2,0,0,0,0|1,0,1]=4 2451 B10R1.2 c1cc(c(c(c1)F)F)C#N TS00556 [0,2,0,0,0,0|1,0,1]=4 2452 B10R1.2 c1cc(c(c(c1)F)F)C=O TS00555 [0,2,0,0,0,0|0,0,0]=2 2453 B10R1.2 c1cc(c(c(c1)F)F)CBr TS08794 [0,2,0,0,0,0|1,0,1]=4 2454 B10R1.2 c1cc(c(c(c1)F)F)CCl TS02340 [0,2,0,0,0,0|1,0,1]=4 2455 B10R1.2 c1cc(c(c(c1)F)F)CN TS00557 [0,2,0,0,0,0|1,0,1]=4 2456 B10R1.2 c1cc(c(c(c1)F)F)CO TS02339 [0,2,0,0,0,0|0,0,2]=4 2457 B10R1.2 c1cc(c(c(c1)F)I)C#N TS62378 [0,2,0,0,0,0|1,0,1]=4 2458 B10R1.2 c1cc(c(c(c1)F)I)C=O TS09366 [0,2,0,0,0,0|0,0,0]=2 2459 B10R1.2 c1cc(c(c(c1)F)N)C#N TS47361 [0,2,0,0,0,0|1,0,1]=4 2460 B10R1.2 c1cc(c(c(c1)F)O)C=O TS02771 [0,2,0,0,0,0|0,0,0]=2 2461 B10R1.2 c1cc(c(c(c1)I)O)C=O TS27692 [0,2,0,0,0,0|0,0,0]=2 2462 B10R1.2 c1cc(c(c(c1)N)O)C#N TS36813 [0,2,0,0,0,0|1,0,1]=4 2463 B10R1.2 c1cc(c(c(c1)O)Br)C=O TS94632 [0,2,0,0,0,0|0,0,0]=2 2464 B10R1.2 c1cc(c(c(c1)O)F)C#N TS65413 [0,2,0,0,0,0|1,0,1]=4 2465 B10R1.2 c1cc(c(c(c1)O)O)C#N TS07696 [0,2,0,0,0,0|1,0,1]=4 2466 B10R1.2 c1cc(c(c(c1)O)O)C=O TS06231 [0,2,0,0,0,0|0,0,0]=2 2467 B10R1.2 c1cc(c(c(c1)O)O)CN TS37279 [0,2,0,0,0,0|1,0,1]=4 2468 B10R1.2 c1cnc(c(c1C=O)Cl)Cl TS46032 [0,2,0,0,0,0|1,0,0]=3 2469 B10R1.2 c1cnc(c(c1C=O)F)Cl TS08399 [0,2,0,0,0,0|1,0,0]=3 2470 B10R1.8 CCc1cc(cc(c1)C)C TS36869 [0,2,0,0,0,0|1,0,1]=4 2471 B10R1.8 CCc1cc(cc(c1)F)F TS32871 [0,2,0,0,0,0|1,0,1]=4 2472 B10R1.8 CCc1cc(cc(c1)O)C TS06074 [0,2,0,0,0,0|1,0,1]=4 2473 B10R1.8 COc1cc(cc(c1)Br)Br TS59595 [0,2,0,0,0,0|2,0,0]=4 2474 B10R1.8 COc1cc(cc(c1)Br)F TS65926 [0,2,0,0,0,0|2,0,0]=4 2475 B10R1.8 COc1cc(cc(c1)Cl)Cl TS59597 [0,2,0,0,0,0|2,0,0]=4 2476 B10R1.8 COc1cc(cc(c1)Cl)F TS39999 [0,2,0,0,0,0|2,0,0]=4 2477 B10R1.8 COc1cc(cc(c1)Cl)O TS32936 [0,2,0,0,0,0|2,0,0]=4 2478 B10R1.8 COc1cc(cc(c1)F)F TS65798 [0,2,0,0,0,0|2,0,0]=4 2479 B10R1.8 COc1cc(cc(c1)O)O TS55472 [0,2,0,0,0,0|2,0,0]=4 2480 B10R1.8 CSc1cc(cc(c1)Cl)Cl TS51590 [0,2,0,0,0,0|2,0,0]=4 2481 B10R1.8 Cc1cc(cc(c1)Br)OC TS46928 [0,2,0,0,0,0|2,0,0]=4 2482 B10R1.8 Cc1cc(cc(c1)C#N)C TS65811 [0,2,0,0,0,0|1,0,1]=4 2483 B10R1.8 Cc1cc(cc(c1)C=O)C TS08854 [0,2,0,0,0,0|0,0,0]=2 2484 B10R1.8 Cc1cc(cc(c1)CBr)C TS65814 [0,2,0,0,0,0|1,0,1]=4 2485 B10R1.8 Cc1cc(cc(c1)CCl)C TS41467 [0,2,0,0,0,0|1,0,1]=4 2486 B10R1.8 Cc1cc(cc(c1)CN)C TS65813 [0,2,0,0,0,0|1,0,1]=4 2487 B10R1.8 Cc1cc(cc(c1)CO)C TS06084 [0,2,0,0,0,0|0,0,2]=4 2488 B10R1.8 Cc1cc(cc(c1)Cl)OC TS41723 [0,2,0,0,0,0|2,0,0]=4 2489 B10R1.8 Cc1cc(cc(c1)F)C#N TS59692 [0,2,0,0,0,0|1,0,1]=4 2490 B10R1.8 Cc1cc(cc(c1)F)C=O TS09382 [0,2,0,0,0,0|0,0,0]=2 2491 B10R1.8 Cc1cc(cc(c1)NN)C TS32788 [0,2,0,0,0,0|2,0,0]=4 2492 B10R1.8 Cc1cc(cc(c1)OC)C TS06080 [0,2,0,0,0,0|2,0,0]=4 2493 B10R1.8 Cc1cc(cc(c1)OC)O TS06245 [0,2,0,0,0,0|2,0,0]=4 2494 B10R1.8 Cc1cc(cc(c1)[Mg]Br)C TS20786 [0,2,0,0,0,0|2,0,0]=4 2495 B10R1.8 Cc1cc(cc(n1)C)C=O TS36916 [0,2,0,0,0,0|1,0,0]=3 2496 B10R1.8 Cc1cc(cc(n1)C=O)Br TS18941 [0,2,0,0,0,0|1,0,0]=3 2497 B10R1.8 Cc1cc(cc(n1)Cl)C=O TS10619 [0,2,0,0,0,0|1,0,0]=3 2498 B10R1.8 [C-]#[N+]c1cc(cc(c1)Cl)Cl TS13102 [0,2,0,0,0,0|2,0,0]=4 2499 B10R1.8 c1c([nH]c(=O)[nH]c1=O)C=O TS01619 [0,2,0,0,0,0|2,0,0]=4 2500 B10R1.8 c1c(cc(cc1Br)Br)C#N TS16719 [0,2,0,0,0,0|1,0,1]=4 2501 B10R1.8 c1c(cc(cc1Br)Br)C=O TS02574 [0,2,0,0,0,0|0,0,0]=2 2502 B10R1.8 c1c(cc(cc1Br)Br)CBr TS63568 [0,2,0,0,0,0|1,0,1]=4 2503 B10R1.8 c1c(cc(cc1Br)Br)CN TS59077 [0,2,0,0,0,0|1,0,1]=4 2504 B10R1.8 c1c(cc(cc1Br)Br)CO TS02351 [0,2,0,0,0,0|0,0,2]=4 2505 B10R1.8 c1c(cc(cc1Br)I)C=O TS76458 [0,2,0,0,0,0|0,0,0]=2 2506 B10R1.8 c1c(cc(cc1Cl)Br)C#N TS49171 [0,2,0,0,0,0|1,0,1]=4 2507 B10R1.8 c1c(cc(cc1Cl)Br)C=O TS49660 [0,2,0,0,0,0|0,0,0]=2 2508 B10R1.8 c1c(cc(cc1Cl)Cl)C#N TS65785 [0,2,0,0,0,0|1,0,1]=4 2509 B10R1.8 c1c(cc(cc1Cl)Cl)C=O TS65784 [0,2,0,0,0,0|0,0,0]=2 2510 B10R1.8 c1c(cc(cc1Cl)Cl)CN TS46043 [0,2,0,0,0,0|1,0,1]=4 2511 B10R1.8 c1c(cc(cc1Cl)Cl)CO TS65787 [0,2,0,0,0,0|0,0,2]=4 2512 B10R1.8 c1c(cc(cc1Cl)Cl)NN TS08851 [0,2,0,0,0,0|2,0,0]=4 2513 B10R1.8 c1c(cc(cc1Cl)Cl)NN TS65790 [0,2,0,0,0,0|2,0,0]=4 2514 B10R1.8 c1c(cc(cc1Cl)I)C#N TS09360 [0,2,0,0,0,0|1,0,1]=4 2515 B10R1.8 c1c(cc(cc1F)Br)C#N TS09335 [0,2,0,0,0,0|1,0,1]=4 2516 B10R1.8 c1c(cc(cc1F)Br)C=O TS65927 [0,2,0,0,0,0|0,0,0]=2 2517 B10R1.8 c1c(cc(cc1F)Br)CBr TS09337 [0,2,0,0,0,0|1,0,1]=4 2518 B10R1.8 c1c(cc(cc1F)Br)CN TS19669 [0,2,0,0,0,0|1,0,1]=4 2519 B10R1.8 c1c(cc(cc1F)Br)CO TS09336 [0,2,0,0,0,0|0,0,2]=4 2520 B10R1.8 c1c(cc(cc1F)Cl)C#N TS65994 [0,2,0,0,0,0|1,0,1]=4 2521 B10R1.8 c1c(cc(cc1F)Cl)C=O TS09352 [0,2,0,0,0,0|0,0,0]=2 2522 B10R1.8 c1c(cc(cc1F)Cl)CBr TS09355 [0,2,0,0,0,0|1,0,1]=4 2523 B10R1.8 c1c(cc(cc1F)Cl)CO TS09354 [0,2,0,0,0,0|0,0,2]=4 2524 B10R1.8 c1c(cc(cc1F)F)C#N TS65801 [0,2,0,0,0,0|1,0,1]=4 2525 B10R1.8 c1c(cc(cc1F)F)C=O TS65799 [0,2,0,0,0,0|0,0,0]=2 2526 B10R1.8 c1c(cc(cc1F)F)CBr TS02584 [0,2,0,0,0,0|1,0,1]=4 2527 B10R1.8 c1c(cc(cc1F)F)CCl TS42526 [0,2,0,0,0,0|1,0,1]=4 2528 B10R1.8 c1c(cc(cc1F)F)CN TS40064 [0,2,0,0,0,0|1,0,1]=4 2529 B10R1.8 c1c(cc(cc1F)F)CO TS02583 [0,2,0,0,0,0|0,0,2]=4 2530 B10R1.8 c1c(cc(cc1F)F)C[Zn+] TS33418 [0,2,0,0,0,0|1,0,1]=4 2531 B10R1.8 c1c(cc(cc1F)F)NN TS02363 [0,2,0,0,0,0|2,0,0]=4 2532 B10R1.8 c1c(cc(cc1F)F)NN TS16723 [0,2,0,0,0,0|2,0,0]=4 2533 B10R1.8 c1c(cc(cc1F)I)C#N TS16743 [0,2,0,0,0,0|1,0,1]=4 2534 B10R1.8 c1c(cc(cc1F)[Mg]Br)F TS49308 [0,2,0,0,0,0|2,0,0]=4 2535 B10R1.8 c1c(cc(cc1I)I)C=O TS66267 [0,2,0,0,0,0|0,0,0]=2 2536 B10R1.8 c1c(cc(cc1N)F)C#N TS03229 [0,2,0,0,0,0|1,0,1]=4 2537 B10R1.8 c1c(cc(cc1N)N)CO TS43950 [0,2,0,0,0,0|0,0,2]=4 2538 B10R1.8 c1c(cc(cc1O)Cl)C#N TS65997 [0,2,0,0,0,0|1,0,1]=4 2539 B10R1.8 c1c(cc(cc1O)Cl)C=O TS10790 [0,2,0,0,0,0|0,0,0]=2 2540 B10R1.8 c1c(cc(cc1O)Cl)CO TS11085 [0,2,0,0,0,0|0,0,2]=4 2541 B10R1.8 c1c(cc(cc1O)O)C#N TS05966 [0,2,0,0,0,0|1,0,1]=4 2542 B10R1.8 c1c(cc(cc1O)O)C=O TS02591 [0,2,0,0,0,0|0,0,0]=2 2543 B10R1.8 c1c(cc(cc1O)O)CO TS71319 [0,2,0,0,0,0|0,0,2]=4 2544 B10R1.8 c1c(cc(nc1Br)Br)C=O TS00695 [0,2,0,0,0,0|1,0,0]=3 2545 B10R1.8 c1c(cc(nc1Cl)Cl)C=O TS47302 [0,2,0,0,0,0|1,0,0]=3 2546 B10R1.10 C=CCc1cccc(c1)F TS36995 [0,2,0,0,0,0|1,0,0]=3 2547 B10R1.10 CCCc1cccc(c1)C TS36863 [0,2,0,0,0,0|1,0,1]=4 2548 B10R1.10 CCCc1cccc(c1)O TS70692 [0,2,0,0,0,0|1,0,1]=4 2549 B10R1.10 CCNc1cccc(c1)C TS06008 [0,2,0,0,0,0|1,0,1]=4 2550 B10R1.10 CCOc1cccc(c1)Br TS65957 [0,2,0,0,0,0|1,0,1]=4 2551 B10R1.10 CCOc1cccc(c1)C TS06098 [0,2,0,0,0,0|1,0,1]=4 2552 B10R1.10 CCOc1cccc(c1)F TS37372 [0,2,0,0,0,0|1,0,1]=4 2553 B10R1.10 CCOc1cccc(c1)N TS37121 [0,2,0,0,0,0|1,0,1]=4 2554 B10R1.10 CCOc1cccc(c1)O TS06261 [0,2,0,0,0,0|1,0,1]=4 2555 B10R1.10 CCOc1cccc(c1)S TS41409 [0,2,0,0,0,0|1,0,1]=4 2556 B10R1.10 CNCc1cccc(c1)Cl TS08974 [0,2,0,0,0,0|1,0,1]=4 2557 B10R1.10 CNCc1cccc(c1)N TS37043 [0,2,0,0,0,0|1,0,1]=4 2558 B10R1.10 COCc1cccc(c1)F TS37370 [0,2,0,0,0,0|0,0,2]=4 2559 B10R1.10 Cc1cccc(c1)CC#N TS05673 [0,2,0,0,0,0|1,0,1]=4 2560 B10R1.10 Cc1cccc(c1)CCBr TS54163 [0,2,0,0,0,0|1,0,1]=4 2561 B10R1.10 Cc1cccc(c1)CCN TS45399 [0,2,0,0,0,0|1,0,1]=4 2562 B10R1.10 Cc1cccc(c1)CCN TS70669 [0,2,0,0,0,0|1,0,1]=4 2563 B10R1.10 Cc1cccc(c1)CCO TS37008 [0,2,0,0,0,0|0,0,2]=4 2564 B10R1.10 Cc1cccc(c1)CNC TS36964 [0,2,0,0,0,0|1,0,1]=4 2565 B10R1.10 Cc1cccc(c1)N=C=O TS36748 [0,2,0,0,0,0|0,0,1]=3 2566 B10R1.10 Cc1cccc(c1)N=C=S TS07590 [0,2,0,0,0,0|0,1,1]=4 2567 B10R1.10 Cc1cccc(c1)NC=O TS36924 [0,2,0,0,0,0|0,0,0]=2 2568 B10R1.10 c1cc(cc(c1)Br)C=NO TS18932 [0,2,0,0,0,0|0,0,1]=3 2569 B10R1.10 c1cc(cc(c1)Br)CC#N TS09489 [0,2,0,0,0,0|1,0,1]=4 2570 B10R1.10 c1cc(cc(c1)Br)CCN TS09479 [0,2,0,0,0,0|1,0,1]=4 2571 B10R1.10 c1cc(cc(c1)Br)CCN TS37842 [0,2,0,0,0,0|1,0,1]=4 2572 B10R1.10 c1cc(cc(c1)Br)CCO TS65956 [0,2,0,0,0,0|0,0,2]=4 2573 B10R1.10 c1cc(cc(c1)Br)CNN TS85618 [0,2,0,0,0,0|1,0,1]=4 2574 B10R1.10 c1cc(cc(c1)Br)CON TS26272 [0,2,0,0,0,0|0,0,2]=4 2575 B10R1.10 c1cc(cc(c1)Br)C[Mg]Br TS33588 [0,2,0,0,0,0|1,0,1]=4 2576 B10R1.10 c1cc(cc(c1)Br)N=C=S TS44459 [0,2,0,0,0,0|0,1,1]=4 2577 B10R1.10 c1cc(cc(c1)Cl)C=NO TS16733 [0,2,0,0,0,0|0,0,1]=3 2578 B10R1.10 c1cc(cc(c1)Cl)CC#N TS01789 [0,2,0,0,0,0|1,0,1]=4 2579 B10R1.10 c1cc(cc(c1)Cl)CC=O TS10528 [0,2,0,0,0,0|0,0,0]=2 2580 B10R1.10 c1cc(cc(c1)Cl)CCBr TS08143 [0,2,0,0,0,0|1,0,1]=4 2581 B10R1.10 c1cc(cc(c1)Cl)CCN TS41558 [0,2,0,0,0,0|1,0,1]=4 2582 B10R1.10 c1cc(cc(c1)Cl)CCO TS10796 [0,2,0,0,0,0|0,0,2]=4 2583 B10R1.10 c1cc(cc(c1)Cl)CNN TS88866 [0,2,0,0,0,0|1,0,1]=4 2584 B10R1.10 c1cc(cc(c1)Cl)CO[NH3+] TS17763 [0,2,0,0,0,0|0,0,2]=4 2585 B10R1.10 c1cc(cc(c1)Cl)N=C=O TS10357 [0,2,0,0,0,0|0,0,1]=3 2586 B10R1.10 c1cc(cc(c1)Cl)N=C=S TS12739 [0,2,0,0,0,0|0,1,1]=4 2587 B10R1.10 c1cc(cc(c1)F)C=NO TS37269 [0,2,0,0,0,0|0,0,1]=3 2588 B10R1.10 c1cc(cc(c1)F)CC#N TS70595 [0,2,0,0,0,0|1,0,1]=4 2589 B10R1.10 c1cc(cc(c1)F)CC=O TS37173 [0,2,0,0,0,0|0,0,0]=2 2590 B10R1.10 c1cc(cc(c1)F)CCBr TS32877 [0,2,0,0,0,0|1,0,1]=4 2591 B10R1.10 c1cc(cc(c1)F)CCN TS70600 [0,2,0,0,0,0|1,0,1]=4 2592 B10R1.10 c1cc(cc(c1)F)CCO TS37362 [0,2,0,0,0,0|0,0,2]=4 2593 B10R1.10 c1cc(cc(c1)F)CNN TS88510 [0,2,0,0,0,0|1,0,1]=4 2594 B10R1.10 c1cc(cc(c1)F)CON TS93853 [0,2,0,0,0,0|0,0,2]=4 2595 B10R1.10 c1cc(cc(c1)F)N=C=O TS37081 [0,2,0,0,0,0|0,0,1]=3 2596 B10R1.10 c1cc(cc(c1)F)N=C=S TS10317 [0,2,0,0,0,0|0,1,1]=4 2597 B10R1.10 c1cc(cc(c1)I)CC#N TS26962 [0,2,0,0,0,0|1,0,1]=4 2598 B10R1.10 c1cc(cc(c1)I)N=C=S TS68450 [0,2,0,0,0,0|0,1,1]=4 2599 B10R1.10 c1cc(cc(c1)N)CCO TS06195 [0,2,0,0,0,0|0,0,2]=4 2600 B10R1.10 c1cc(cc(c1)O)CCN TS39688 [0,2,0,0,0,0|1,0,1]=4 2601 B10R1.10 c1cc(cc(c1)O)CCO TS06255 [0,2,0,0,0,0|0,0,2]=4 2602 B10R1.10 c1cc(cc(c1)O)CCO TS06258 [0,2,0,0,0,0|0,0,2]=4 2603 B10R1.10 c1cc(cc(c1)O)CNN TS43951 [0,2,0,0,0,0|1,0,1]=4 2604 B10R1.30 C=Cc1cc(ccc1Cl)Cl TS45578 [0,2,0,0,0,0|1,0,0]=3 2605 B10R1.30 C=Cc1cc(ccc1F)F TS06428 [0,2,0,0,0,0|1,0,0]=3 2606 B10R1.30 CCc1cc(ccc1C)C TS05930 [0,2,0,0,0,0|1,0,1]=4 2607 B10R1.30 CCc1cc(ccc1Cl)O TS41712 [0,2,0,0,0,0|1,0,1]=4 2608 B10R1.30 CCc1cc(ccc1I)Br TS76460 [0,2,0,0,0,0|1,0,1]=4 2609 B10R1.30 CCc1cc(ccc1N)Br TS25964 [0,2,0,0,0,0|1,0,1]=4 2610 B10R1.30 CCc1cc(ccc1N)Br TS37843 [0,2,0,0,0,0|1,0,1]=4 2611 B10R1.30 CCc1cc(ccc1N)I TS27559 [0,2,0,0,0,0|1,0,1]=4 2612 B10R1.30 CCc1cc(ccc1O)F TS37365 [0,2,0,0,0,0|1,0,1]=4 2613 B10R1.30 CCc1cc(ccc1O)O TS06259 [0,2,0,0,0,0|1,0,1]=4 2614 B10R1.30 COC1=CC(=O)C=CC1=O TS06228 [0,2,0,0,0,0|2,0,0]=4 2615 B10R1.30 COc1cc(ccc1Br)Cl TS08813 [0,2,0,0,0,0|2,0,0]=4 2616 B10R1.30 COc1cc(ccc1Br)F TS65379 [0,2,0,0,0,0|2,0,0]=4 2617 B10R1.30 COc1cc(ccc1Br)I TS01774 [0,2,0,0,0,0|2,0,0]=4 2618 B10R1.30 COc1cc(ccc1Br)N TS00018 [0,2,0,0,0,0|2,0,0]=4 2619 B10R1.30 COc1cc(ccc1Br)O TS00019 [0,2,0,0,0,0|2,0,0]=4 2620 B10R1.30 COc1cc(ccc1Cl)Br TS39527 [0,2,0,0,0,0|2,0,0]=4 2621 B10R1.30 COc1cc(ccc1Cl)Cl TS13962 [0,2,0,0,0,0|2,0,0]=4 2622 B10R1.30 COc1cc(ccc1Cl)F TS09281 [0,2,0,0,0,0|2,0,0]=4 2623 B10R1.30 COc1cc(ccc1Cl)N TS10907 [0,2,0,0,0,0|2,0,0]=4 2624 B10R1.30 COc1cc(ccc1F)Br TS19895 [0,2,0,0,0,0|2,0,0]=4 2625 B10R1.30 COc1cc(ccc1F)F TS65344 [0,2,0,0,0,0|2,0,0]=4 2626 B10R1.30 COc1cc(ccc1N)Br TS70959 [0,2,0,0,0,0|2,0,0]=4 2627 B10R1.30 COc1cc(ccc1N)F TS93806 [0,2,0,0,0,0|2,0,0]=4 2628 B10R1.30 COc1cc(ccc1N)N TS56779 [0,2,0,0,0,0|2,0,0]=4 2629 B10R1.30 COc1cc(ccc1O)Br TS29434 [0,2,0,0,0,0|2,0,0]=4 2630 B10R1.30 COc1cc(ccc1O)Cl TS11084 [0,2,0,0,0,0|2,0,0]=4 2631 B10R1.30 COc1cc(ccc1O)F TS37549 [0,2,0,0,0,0|2,0,0]=4 2632 B10R1.30 COc1cc(ccc1O)O TS37335 [0,2,0,0,0,0|2,0,0]=4 2633 B10R1.30 Cc1cc(c(nc1)Cl)C=O TS41555 [0,2,0,0,0,0|1,0,0]=3 2634 B10R1.30 Cc1ccc(c(c1)C#C)C TS36513 [0,2,0,0,0,0|1,0,1]=4 2635 B10R1.30 Cc1ccc(c(c1)C#N)C TS02140 [0,2,0,0,0,0|1,0,1]=4 2636 B10R1.30 Cc1ccc(c(c1)C#N)Cl TS41071 [0,2,0,0,0,0|1,0,1]=4 2637 B10R1.30 Cc1ccc(c(c1)C#N)F TS01008 [0,2,0,0,0,0|1,0,1]=4 2638 B10R1.30 Cc1ccc(c(c1)C#N)N TS47441 [0,2,0,0,0,0|1,0,1]=4 2639 B10R1.30 Cc1ccc(c(c1)C=C)C TS36708 [0,2,0,0,0,0|1,0,0]=3 2640 B10R1.30 Cc1ccc(c(c1)C=O)C TS36833 [0,2,0,0,0,0|0,0,0]=2 2641 B10R1.30 Cc1ccc(c(c1)C=O)C TS93809 [0,2,0,0,0,0|0,0,0]=2 2642 B10R1.30 Cc1ccc(c(c1)C=O)F TS01006 [0,2,0,0,0,0|0,0,0]=2 2643 B10R1.30 Cc1ccc(c(c1)C=O)O TS01052 [0,2,0,0,0,0|0,0,0]=2 2644 B10R1.30 Cc1ccc(c(c1)CBr)C TS18767 [0,2,0,0,0,0|1,0,1]=4 2645 B10R1.30 Cc1ccc(c(c1)CCl)C TS41473 [0,2,0,0,0,0|1,0,1]=4 2646 B10R1.30 Cc1ccc(c(c1)CN)C TS36943 [0,2,0,0,0,0|1,0,1]=4 2647 B10R1.30 Cc1ccc(c(c1)CO)C TS06089 [0,2,0,0,0,0|0,0,2]=4 2648 B10R1.30 Cc1ccc(c(c1)NN)C TS47277 [0,2,0,0,0,0|2,0,0]=4 2649 B10R1.30 Cc1ccc(c(c1)OC)Br TS38050 [0,2,0,0,0,0|2,0,0]=4 2650 B10R1.30 Cc1ccc(c(c1)OC)C TS37019 [0,2,0,0,0,0|2,0,0]=4 2651 B10R1.30 Cc1ccc(c(c1)OC)F TS06454 [0,2,0,0,0,0|2,0,0]=4 2652 B10R1.30 Cc1ccc(c(c1)OC)O TS03117 [0,2,0,0,0,0|2,0,0]=4 2653 B10R1.30 Cc1ccc(c(n1)C=O)F TS37267 [0,2,0,0,0,0|1,0,0]=3 2654 B10R1.30 Cc1ccc(cc1C#N)Br TS09796 [0,2,0,0,0,0|1,0,1]=4 2655 B10R1.30 Cc1ccc(cc1C#N)Cl TS71505 [0,2,0,0,0,0|1,0,1]=4 2656 B10R1.30 Cc1ccc(cc1C#N)F TS65162 [0,2,0,0,0,0|1,0,1]=4 2657 B10R1.30 Cc1ccc(cc1C#N)N TS36681 [0,2,0,0,0,0|1,0,1]=4 2658 B10R1.30 Cc1ccc(cc1C=O)Br TS09794 [0,2,0,0,0,0|0,0,0]=2 2659 B10R1.30 Cc1ccc(cc1C=O)F TS71547 [0,2,0,0,0,0|0,0,0]=2 2660 B10R1.30 Cc1ccc(cc1CBr)F TS07836 [0,2,0,0,0,0|1,0,1]=4 2661 B10R1.30 Cc1ccc(cc1CCl)F TS07837 [0,2,0,0,0,0|1,0,1]=4 2662 B10R1.30 Cc1ccc(cc1CN)F TS37290 [0,2,0,0,0,0|1,0,1]=4 2663 B10R1.30 Cc1ccc(cc1CO)F TS37367 [0,2,0,0,0,0|0,0,2]=4 2664 B10R1.30 Cc1ccc(cc1NN)Br TS56990 [0,2,0,0,0,0|2,0,0]=4 2665 B10R1.30 Cc1ccc(cc1NN)F TS03301 [0,2,0,0,0,0|2,0,0]=4 2666 B10R1.30 Cc1ccc(cc1OC)Cl TS41720 [0,2,0,0,0,0|2,0,0]=4 2667 B10R1.30 Cc1ccc(cc1OC)F TS06455 [0,2,0,0,0,0|2,0,0]=4 2668 B10R1.30 Cc1ccc(cc1OC)N TS59695 [0,2,0,0,0,0|2,0,0]=4 2669 B10R1.30 c1c(c(cnc1Cl)Br)C=O TS86358 [0,2,0,0,0,0|1,0,0]=3 2670 B10R1.30 c1c(c(cnc1Cl)Cl)C=O TS00660 [0,2,0,0,0,0|1,0,0]=3 2671 B10R1.30 c1c(c(cnc1Cl)F)C=O TS07718 [0,2,0,0,0,0|1,0,0]=3 2672 B10R1.30 c1c(c(cnc1O)F)C=O TS32991 [0,2,0,0,0,0|1,0,0]=3 2673 B10R1.30 c1c(cnc(c1C=O)Br)Br TS68902 [0,2,0,0,0,0|1,0,0]=3 2674 B10R1.30 c1c(cnc(c1C=O)Cl)Br TS59716 [0,2,0,0,0,0|1,0,0]=3 2675 B10R1.30 c1c(cnc(c1C=O)Cl)F TS59954 [0,2,0,0,0,0|1,0,0]=3 2676 B10R1.30 c1c(cnc(c1C=O)F)Br TS90413 [0,2,0,0,0,0|1,0,0]=3 2677 B10R1.30 c1c(cnc(c1C=O)F)Cl TS85206 [0,2,0,0,0,0|1,0,0]=3 2678 B10R1.30 c1cc(c(cc1Br)C#N)Cl TS16983 [0,2,0,0,0,0|1,0,1]=4 2679 B10R1.30 c1cc(c(cc1Br)C#N)F TS71421 [0,2,0,0,0,0|1,0,1]=4 2680 B10R1.30 c1cc(c(cc1Br)C#N)I TS39532 [0,2,0,0,0,0|1,0,1]=4 2681 B10R1.30 c1cc(c(cc1Br)C#N)N TS47427 [0,2,0,0,0,0|1,0,1]=4 2682 B10R1.30 c1cc(c(cc1Br)C#N)O TS71431 [0,2,0,0,0,0|1,0,1]=4 2683 B10R1.30 c1cc(c(cc1Br)C=O)Br TS47247 [0,2,0,0,0,0|0,0,0]=2 2684 B10R1.30 c1cc(c(cc1Br)C=O)Cl TS16982 [0,2,0,0,0,0|0,0,0]=2 2685 B10R1.30 c1cc(c(cc1Br)C=O)F TS71419 [0,2,0,0,0,0|0,0,0]=2 2686 B10R1.30 c1cc(c(cc1Br)C=O)I TS09783 [0,2,0,0,0,0|0,0,0]=2 2687 B10R1.30 c1cc(c(cc1Br)C=O)O TS09820 [0,2,0,0,0,0|0,0,0]=2 2688 B10R1.30 c1cc(c(cc1Br)CBr)F TS30472 [0,2,0,0,0,0|1,0,1]=4 2689 B10R1.30 c1cc(c(cc1Br)CN)F TS26595 [0,2,0,0,0,0|1,0,1]=4 2690 B10R1.30 c1cc(c(cc1Br)CO)Cl TS39528 [0,2,0,0,0,0|0,0,2]=4 2691 B10R1.30 c1cc(c(cc1Br)CO)F TS16783 [0,2,0,0,0,0|0,0,2]=4 2692 B10R1.30 c1cc(c(cc1Br)CO)O TS71432 [0,2,0,0,0,0|0,0,2]=4 2693 B10R1.30 c1cc(c(cc1Cl)C#N)Br TS55119 [0,2,0,0,0,0|1,0,1]=4 2694 B10R1.30 c1cc(c(cc1Cl)C#N)Cl TS13098 [0,2,0,0,0,0|1,0,1]=4 2695 B10R1.30 c1cc(c(cc1Cl)C#N)F TS09841 [0,2,0,0,0,0|1,0,1]=4 2696 B10R1.30 c1cc(c(cc1Cl)C#N)N TS41212 [0,2,0,0,0,0|1,0,1]=4 2697 B10R1.30 c1cc(c(cc1Cl)C#N)O TS71492 [0,2,0,0,0,0|1,0,1]=4 2698 B10R1.30 c1cc(c(cc1Cl)C=O)Br TS09831 [0,2,0,0,0,0|0,0,0]=2 2699 B10R1.30 c1cc(c(cc1Cl)C=O)Cl TS47258 [0,2,0,0,0,0|0,0,0]=2 2700 B10R1.30 c1cc(c(cc1Cl)C=O)F TS09839 [0,2,0,0,0,0|0,0,0]=2 2701 B10R1.30 c1cc(c(cc1Cl)C=O)N TS00774 [0,2,0,0,0,0|0,0,0]=2 2702 B10R1.30 c1cc(c(cc1Cl)C=O)O TS10788 [0,2,0,0,0,0|0,0,0]=2 2703 B10R1.30 c1cc(c(cc1Cl)CBr)Cl TS26440 [0,2,0,0,0,0|1,0,1]=4 2704 B10R1.30 c1cc(c(cc1Cl)CBr)F TS09843 [0,2,0,0,0,0|1,0,1]=4 2705 B10R1.30 c1cc(c(cc1Cl)CCl)Cl TS52072 [0,2,0,0,0,0|1,0,1]=4 2706 B10R1.30 c1cc(c(cc1Cl)CN)Cl TS46041 [0,2,0,0,0,0|1,0,1]=4 2707 B10R1.30 c1cc(c(cc1Cl)CN)F TS09842 [0,2,0,0,0,0|1,0,1]=4 2708 B10R1.30 c1cc(c(cc1Cl)CN)N TS41734 [0,2,0,0,0,0|1,0,1]=4 2709 B10R1.30 c1cc(c(cc1Cl)CN)O TS08940 [0,2,0,0,0,0|1,0,1]=4 2710 B10R1.30 c1cc(c(cc1Cl)CO)Cl TS13961 [0,2,0,0,0,0|0,0,2]=4 2711 B10R1.30 c1cc(c(cc1Cl)CO)F TS42239 [0,2,0,0,0,0|0,0,2]=4 2712 B10R1.30 c1cc(c(cc1Cl)CO)O TS11082 [0,2,0,0,0,0|0,0,2]=4 2713 B10R1.30 c1cc(c(cc1Cl)NN)Cl TS21554 [0,2,0,0,0,0|2,0,0]=4 2714 B10R1.30 c1cc(c(cc1Cl)NN)F TS07822 [0,2,0,0,0,0|2,0,0]=4 2715 B10R1.30 c1cc(c(cc1F)C#N)Br TS18923 [0,2,0,0,0,0|1,0,1]=4 2716 B10R1.30 c1cc(c(cc1F)C#N)Cl TS22995 [0,2,0,0,0,0|1,0,1]=4 2717 B10R1.30 c1cc(c(cc1F)C#N)F TS00677 [0,2,0,0,0,0|1,0,1]=4 2718 B10R1.30 c1cc(c(cc1F)C#N)I TS62379 [0,2,0,0,0,0|1,0,1]=4 2719 B10R1.30 c1cc(c(cc1F)C#N)N TS00787 [0,2,0,0,0,0|1,0,1]=4 2720 B10R1.30 c1cc(c(cc1F)C=O)Br TS08340 [0,2,0,0,0,0|0,0,0]=2 2721 B10R1.30 c1cc(c(cc1F)C=O)Cl TS55244 [0,2,0,0,0,0|0,0,0]=2 2722 B10R1.30 c1cc(c(cc1F)C=O)F TS00673 [0,2,0,0,0,0|0,0,0]=2 2723 B10R1.30 c1cc(c(cc1F)C=O)I TS01072 [0,2,0,0,0,0|0,0,0]=2 2724 B10R1.30 c1cc(c(cc1F)C=O)O TS71536 [0,2,0,0,0,0|0,0,0]=2 2725 B10R1.30 c1cc(c(cc1F)CBr)Br TS65380 [0,2,0,0,0,0|1,0,1]=4 2726 B10R1.30 c1cc(c(cc1F)CBr)Cl TS50367 [0,2,0,0,0,0|1,0,1]=4 2727 B10R1.30 c1cc(c(cc1F)CCl)Br TS65381 [0,2,0,0,0,0|1,0,1]=4 2728 B10R1.30 c1cc(c(cc1F)CN)Br TS65382 [0,2,0,0,0,0|1,0,1]=4 2729 B10R1.30 c1cc(c(cc1F)CN)Cl TS09283 [0,2,0,0,0,0|1,0,1]=4 2730 B10R1.30 c1cc(c(cc1F)CN)F TS65347 [0,2,0,0,0,0|1,0,1]=4 2731 B10R1.30 c1cc(c(cc1F)CN)N TS37378 [0,2,0,0,0,0|1,0,1]=4 2732 B10R1.30 c1cc(c(cc1F)CO)Br TS65410 [0,2,0,0,0,0|0,0,2]=4 2733 B10R1.30 c1cc(c(cc1F)CO)Cl TS60277 [0,2,0,0,0,0|0,0,2]=4 2734 B10R1.30 c1cc(c(cc1F)CO)F TS65346 [0,2,0,0,0,0|0,0,2]=4 2735 B10R1.30 c1cc(c(cc1F)CO)N TS06576 [0,2,0,0,0,0|0,0,2]=4 2736 B10R1.30 c1cc(c(cc1F)C[Zn+])F TS33416 [0,2,0,0,0,0|1,0,1]=4 2737 B10R1.30 c1cc(c(cc1I)C#N)F TS01002 [0,2,0,0,0,0|1,0,1]=4 2738 B10R1.30 c1cc(c(cc1I)C=O)F TS62782 [0,2,0,0,0,0|0,0,0]=2 2739 B10R1.30 c1cc(c(cc1I)C=O)O TS01049 [0,2,0,0,0,0|0,0,0]=2 2740 B10R1.30 c1cc(c(cc1N)C#N)Br TS71353 [0,2,0,0,0,0|1,0,1]=4 2741 B10R1.30 c1cc(c(cc1N)C#N)Cl TS41208 [0,2,0,0,0,0|1,0,1]=4 2742 B10R1.30 c1cc(c(cc1N)C#N)F TS71360 [0,2,0,0,0,0|1,0,1]=4 2743 B10R1.30 c1cc(c(cc1N)C#N)N TS36766 [0,2,0,0,0,0|1,0,1]=4 2744 B10R1.30 c1cc(c(cc1N)C#N)O TS36814 [0,2,0,0,0,0|1,0,1]=4 2745 B10R1.30 c1cc(c(cc1N)CN)F TS37377 [0,2,0,0,0,0|1,0,1]=4 2746 B10R1.30 c1cc(c(cc1N)CN)O TS43947 [0,2,0,0,0,0|1,0,1]=4 2747 B10R1.30 c1cc(c(cc1O)C#N)F TS39661 [0,2,0,0,0,0|1,0,1]=4 2748 B10R1.30 c1cc(c(cc1O)C=O)Br TS08344 [0,2,0,0,0,0|0,0,0]=2 2749 B10R1.30 c1cc(c(cc1O)C=O)F TS00999 [0,2,0,0,0,0|0,0,0]=2 2750 B10R1.30 c1cc(c(cc1O)C=O)O TS47262 [0,2,0,0,0,0|0,0,0]=2 2751 B10R1.30 c1cc(nc(c1F)C=O)Br TS88872 [0,2,0,0,0,0|1,0,0]=3 2752 B10R1.30 c1cc(nc(c1F)C=O)Cl TS39360 [0,2,0,0,0,0|1,0,0]=3 2753 B10R1.113 B(c1cccc(c1)Br)(O)O TS65961 [0,2,0,0,0,0|1,0,1]=4 2754 B10R1.113 B(c1cccc(c1)C)(O)O TS70670 [0,2,0,0,0,0|1,0,1]=4 2755 B10R1.113 B(c1cccc(c1)Cl)(O)O TS02723 [0,2,0,0,0,0|1,0,1]=4 2756 B10R1.113 B(c1cccc(c1)I)(O)O TS93559 [0,2,0,0,0,0|1,0,1]=4 2757 B10R1.113 B(c1cccc(c1)N)(O)O TS85488 [0,2,0,0,0,0|1,0,1]=4 2758 B10R1.113 B(c1cccc(c1)N)(O)O TS94599 [0,2,0,0,0,0|1,0,1]=4 2759 B10R1.113 B(c1cccc(c1)N)(O)O TS94634 [0,2,0,0,0,0|1,0,1]=4 2760 B10R1.113 B(c1cccc(c1)N)(O)O TS94676 [0,2,0,0,0,0|1,0,1]=4 2761 B10R1.113 B(c1cccc(c1)O)(O)O TS02793 [0,2,0,0,0,0|1,0,1]=4 2762 B10R1.113 B(c1cccc(c1)S)(O)O TS41329 [0,2,0,0,0,0|1,0,1]=4 2763 B10R1.113 CC(=O)c1cc(cnc1)Br TS08180 [0,2,0,0,0,0|1,0,0]=3 2764 B10R1.113 CC(=O)c1cc(cnc1)F TS37264 [0,2,0,0,0,0|1,0,0]=3 2765 B10R1.113 CC(=O)c1ccc[n+](c1)[O-] TS06167 [0,2,0,0,0,0|1,0,0]=3 2766 B10R1.113 CC(=O)c1cccc(c1)Br TS09476 [0,2,0,0,0,0|0,0,0]=2 2767 B10R1.113 CC(=O)c1cccc(c1)Cl TS41457 [0,2,0,0,0,0|0,0,0]=2 2768 B10R1.113 CC(=O)c1cccc(c1)F TS39433 [0,2,0,0,0,0|0,0,0]=2 2769 B10R1.113 CC(=O)c1cccc(c1)I TS02811 [0,2,0,0,0,0|0,0,0]=2 2770 B10R1.113 CC(=O)c1cccc(c1)N TS36932 [0,2,0,0,0,0|0,0,0]=2 2771 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [0,2,0,0,0,0|0,0,0]=2 2772 B10R1.113 CC(=O)c1cccc(n1)Br TS08250 [0,2,0,0,0,0|1,0,0]=3 2773 B10R1.113 CC(=O)c1cccc(n1)Cl TS46739 [0,2,0,0,0,0|1,0,0]=3 2774 B10R1.113 CC(=O)c1ccnc(c1)Cl TS08148 [0,2,0,0,0,0|1,0,0]=3 2775 B10R1.113 CC(=O)c1ccnc(n1)N TS06171 [0,2,0,0,0,0|2,0,0]=4 2776 B10R1.113 CC(C)c1cccc(c1)Br TS54165 [0,2,0,0,0,0|1,0,1]=4 2777 B10R1.113 CC(C)c1cccc(c1)N TS36962 [0,2,0,0,0,0|1,0,1]=4 2778 B10R1.113 CC(C)c1cccc(c1)O TS06076 [0,2,0,0,0,0|1,0,1]=4 2779 B10R1.113 CC(c1cccc(c1)Br)N TS37847 [0,2,0,0,0,0|1,0,1]=4 2780 B10R1.113 CC(c1cccc(c1)Br)O TS38052 [0,2,0,0,0,0|0,0,2]=4 2781 B10R1.113 CC(c1cccc(c1)Cl)O TS41713 [0,2,0,0,0,0|0,0,2]=4 2782 B10R1.113 CC(c1cccc(c1)F)N TS37298 [0,2,0,0,0,0|1,0,1]=4 2783 B10R1.113 CC(c1cccc(c1)F)O TS37373 [0,2,0,0,0,0|0,0,2]=4 2784 B10R1.113 CC(c1cccc(c1)N)N TS37034 [0,2,0,0,0,0|1,0,1]=4 2785 B10R1.113 CC(c1cccc(c1)N)O TS37125 [0,2,0,0,0,0|0,0,2]=4 2786 B10R1.113 CN(C)c1cccc(c1)Br TS37848 [0,2,0,0,0,0|2,0,0]=4 2787 B10R1.113 CN(C)c1cccc(c1)Cl TS10632 [0,2,0,0,0,0|2,0,0]=4 2788 B10R1.113 CN(C)c1cccc(c1)N TS20698 [0,2,0,0,0,0|2,0,0]=4 2789 B10R1.113 CN(C)c1cccc(c1)O TS06190 [0,2,0,0,0,0|2,0,0]=4 2790 B10R1.113 CN(C)c1cccc(c1)S TS10347 [0,2,0,0,0,0|2,0,0]=4 2791 B10R1.113 CN1CC(=CC=C1)C(=O)N TS68775 [0,2,0,0,0,0|1,0,1]=4 2792 B10R1.113 C[C@@H](c1cccc(c1)Br)O TS38053 [0,2,0,0,0,0|0,0,2]=4 2793 B10R1.113 C[C@@H](c1cccc(c1)Cl)N TS08102 [0,2,0,0,0,0|1,0,1]=4 2794 B10R1.113 C[C@@H](c1cccc(c1)F)N TS08103 [0,2,0,0,0,0|1,0,1]=4 2795 B10R1.113 C[C@@H](c1cccc(c1)F)N TS13761 [0,2,0,0,0,0|1,0,1]=4 2796 B10R1.113 C[C@H](c1cccc(c1)Br)O TS38040 [0,2,0,0,0,0|0,0,2]=4 2797 B10R1.113 C[C@H](c1cccc(c1)Cl)N TS46592 [0,2,0,0,0,0|1,0,1]=4 2798 B10R1.113 C[C@H](c1cccc(c1)F)N TS46593 [0,2,0,0,0,0|1,0,1]=4 2799 B10R1.113 C[C@H](c1cccc(c1)N)N TS06099 [0,2,0,0,0,0|1,0,1]=4 2800 B10R1.113 C[n+]1cccc(c1)C(=O)N TS45572 [0,2,0,0,0,0|1,0,0]=3 2801 B10R1.113 Cc1cc(ccn1)C(=O)C TS01801 [0,2,0,0,0,0|1,0,0]=3 2802 B10R1.113 Cc1cc(ccn1)C(=O)O TS37098 [0,2,0,0,0,0|1,0,0]=3 2803 B10R1.113 Cc1cc(ccn1)[N+](=O)[O-] TS55417 [0,2,0,0,0,0|2,0,0]=4 2804 B10R1.113 Cc1cc(cnc1)C(=O)N TS06051 [0,2,0,0,0,0|1,0,0]=3 2805 B10R1.113 Cc1cc(cnc1)C(=O)O TS01159 [0,2,0,0,0,0|1,0,0]=3 2806 B10R1.113 Cc1cc(cnc1)C(=O)O TS13412 [0,2,0,0,0,0|1,0,0]=3 2807 B10R1.113 Cc1cc(cnc1)[N+](=O)[O-] TS02835 [0,2,0,0,0,0|2,0,0]=4 2808 B10R1.113 Cc1cc(ncn1)C(=O)O TS88119 [0,2,0,0,0,0|2,0,0]=4 2809 B10R1.113 Cc1cccc(c1)C(=N)N TS12936 [0,2,0,0,0,0|1,0,0]=3 2810 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [0,2,0,0,0,0|0,0,0]=2 2811 B10R1.113 Cc1cccc(c1)C(=O)Cl TS60022 [0,2,0,0,0,0|0,0,0]=2 2812 B10R1.113 Cc1cccc(c1)C(=O)N TS36933 [0,2,0,0,0,0|0,0,0]=2 2813 B10R1.113 Cc1cccc(c1)C(=O)O TS36985 [0,2,0,0,0,0|0,0,0]=2 2814 B10R1.113 Cc1cccc(c1)C(=S)N TS41054 [0,2,0,0,0,0|0,1,0]=3 2815 B10R1.113 Cc1cccc(c1)C(C)O TS37016 [0,2,0,0,0,0|0,0,2]=4 2816 B10R1.113 Cc1cccc(c1)N(C)C TS36944 [0,2,0,0,0,0|2,0,0]=4 2817 B10R1.113 Cc1cccc(c1)N(C)N TS37033 [0,2,0,0,0,0|2,0,0]=4 2818 B10R1.113 Cc1cccc(c1)[C@@H](C)N TS45396 [0,2,0,0,0,0|1,0,1]=4 2819 B10R1.113 Cc1cccc(c1)[C@H](C)N TS45397 [0,2,0,0,0,0|1,0,1]=4 2820 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] TS37092 [0,2,0,0,0,0|1,0,0]=3 2821 B10R1.113 Cc1cccc(n1)C(=O)C TS08253 [0,2,0,0,0,0|1,0,0]=3 2822 B10R1.113 Cc1cccc(n1)[N+](=O)[O-] TS55467 [0,2,0,0,0,0|2,0,0]=4 2823 B10R1.113 Cc1ccnc(c1)C(=O)C TS32774 [0,2,0,0,0,0|1,0,0]=3 2824 B10R1.113 Cc1ccnc(c1)C(=O)O TS37096 [0,2,0,0,0,0|1,0,0]=3 2825 B10R1.113 Cc1ccnc(c1)[N+](=O)[O-] TS71230 [0,2,0,0,0,0|2,0,0]=4 2826 B10R1.113 Cc1ccnc(n1)C(=O)O TS90875 [0,2,0,0,0,0|2,0,0]=4 2827 B10R1.113 Cc1nccc(n1)C(=O)O TS02451 [0,2,0,0,0,0|2,0,0]=4 2828 B10R1.113 c1c(cn[nH]c1=O)C(=O)O TS06410 [0,2,0,0,0,0|2,0,0]=4 2829 B10R1.113 c1c(cncc1Br)C(=O)Cl TS49867 [0,2,0,0,0,0|1,0,0]=3 2830 B10R1.113 c1c(cncc1Br)C(=O)N TS60080 [0,2,0,0,0,0|1,0,0]=3 2831 B10R1.113 c1c(cncc1Br)C(=O)O TS09808 [0,2,0,0,0,0|1,0,0]=3 2832 B10R1.113 c1c(cncc1Br)[N+](=O)[O-] TS65940 [0,2,0,0,0,0|2,0,0]=4 2833 B10R1.113 c1c(cncc1Cl)C(=O)O TS03271 [0,2,0,0,0,0|1,0,0]=3 2834 B10R1.113 c1c(cncc1Cl)[N+](=O)[O-] TS02699 [0,2,0,0,0,0|2,0,0]=4 2835 B10R1.113 c1c(cncc1F)C(=O)O TS03323 [0,2,0,0,0,0|1,0,0]=3 2836 B10R1.113 c1c(cncc1N)C(=O)N TS03231 [0,2,0,0,0,0|1,0,0]=3 2837 B10R1.113 c1c(cncc1N)C(=O)O TS71381 [0,2,0,0,0,0|1,0,0]=3 2838 B10R1.113 c1c(cncc1O)C(=O)O TS30275 [0,2,0,0,0,0|1,0,0]=3 2839 B10R1.113 c1c(cncc1O)C(=O)O TS85371 [0,2,0,0,0,0|1,0,0]=3 2840 B10R1.113 c1c(cncc1O)[N+](=O)[O-] TS06415 [0,2,0,0,0,0|2,0,0]=4 2841 B10R1.113 c1c(cncc1[N+](=O)[O-])N TS01168 [0,2,0,0,0,0|2,0,0]=4 2842 B10R1.113 c1c(cnnc1Cl)C(=O)O TS90511 [0,2,0,0,0,0|2,0,0]=4 2843 B10R1.113 c1c(nc(cn1)Cl)C(=O)O TS55584 [0,2,0,0,0,0|2,0,0]=4 2844 B10R1.113 c1c(ncnc1O)C(=O)O TS01241 [0,2,0,0,0,0|2,0,0]=4 2845 B10R1.113 c1cc(c[n+](c1)[O-])C(=S)N TS41392 [0,2,0,0,0,0|1,1,0]=4 2846 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS09478 [0,2,0,0,0,0|1,0,0]=3 2847 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS54155 [0,2,0,0,0,0|1,0,0]=3 2848 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl TS56222 [0,2,0,0,0,0|0,0,0]=2 2849 B10R1.113 c1cc(cc(c1)Br)C(=O)N TS18933 [0,2,0,0,0,0|0,0,0]=2 2850 B10R1.113 c1cc(cc(c1)Br)C(=O)O TS19140 [0,2,0,0,0,0|0,0,0]=2 2851 B10R1.113 c1cc(cc(c1)Br)C(=S)N TS21980 [0,2,0,0,0,0|0,1,0]=3 2852 B10R1.113 c1cc(cc(c1)Br)C(F)F TS59897 [0,2,0,0,0,0|1,0,1]=4 2853 B10R1.113 c1cc(cc(c1)Br)[N+](=O)[O-] TS16330 [0,2,0,0,0,0|1,0,0]=3 2854 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS41463 [0,2,0,0,0,0|1,0,0]=3 2855 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS51244 [0,2,0,0,0,0|1,0,0]=3 2856 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl TS13612 [0,2,0,0,0,0|0,0,0]=2 2857 B10R1.113 c1cc(cc(c1)Cl)C(=O)N TS10611 [0,2,0,0,0,0|0,0,0]=2 2858 B10R1.113 c1cc(cc(c1)Cl)C(=O)O TS02028 [0,2,0,0,0,0|0,0,0]=2 2859 B10R1.113 c1cc(cc(c1)Cl)C(=S)N TS45392 [0,2,0,0,0,0|0,1,0]=3 2860 B10R1.113 c1cc(cc(c1)Cl)C(Br)Br TS34768 [0,2,0,0,0,0|1,0,1]=4 2861 B10R1.113 c1cc(cc(c1)Cl)C(Cl)Cl TS52076 [0,2,0,0,0,0|1,0,1]=4 2862 B10R1.113 c1cc(cc(c1)Cl)[N+](=O)[O-] TS41831 [0,2,0,0,0,0|1,0,0]=3 2863 B10R1.113 c1cc(cc(c1)F)C(=N)N TS13606 [0,2,0,0,0,0|1,0,0]=3 2864 B10R1.113 c1cc(cc(c1)F)C(=N)N TS37176 [0,2,0,0,0,0|1,0,0]=3 2865 B10R1.113 c1cc(cc(c1)F)C(=O)Cl TS11079 [0,2,0,0,0,0|0,0,0]=2 2866 B10R1.113 c1cc(cc(c1)F)C(=O)N TS37271 [0,2,0,0,0,0|0,0,0]=2 2867 B10R1.113 c1cc(cc(c1)F)C(=O)O TS06420 [0,2,0,0,0,0|0,0,0]=2 2868 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] TS11490 [0,2,0,0,0,0|0,0,0]=2 2869 B10R1.113 c1cc(cc(c1)F)C(=S)N TS41514 [0,2,0,0,0,0|0,1,0]=3 2870 B10R1.113 c1cc(cc(c1)F)C(Br)Br TS30471 [0,2,0,0,0,0|1,0,1]=4 2871 B10R1.113 c1cc(cc(c1)F)C(Cl)Cl TS47665 [0,2,0,0,0,0|1,0,1]=4 2872 B10R1.113 c1cc(cc(c1)I)C(=O)Cl TS39446 [0,2,0,0,0,0|0,0,0]=2 2873 B10R1.113 c1cc(cc(c1)I)C(=O)N TS62384 [0,2,0,0,0,0|0,0,0]=2 2874 B10R1.113 c1cc(cc(c1)I)C(=O)O TS70626 [0,2,0,0,0,0|0,0,0]=2 2875 B10R1.113 c1cc(cc(c1)I)C(=S)N TS29885 [0,2,0,0,0,0|0,1,0]=3 2876 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] TS27853 [0,2,0,0,0,0|1,0,0]=3 2877 B10R1.113 c1cc(cc(c1)N)C(=N)N TS20481 [0,2,0,0,0,0|1,0,0]=3 2878 B10R1.113 c1cc(cc(c1)N)C(=O)N TS60003 [0,2,0,0,0,0|0,0,0]=2 2879 B10R1.113 c1cc(cc(c1)N)C(=O)O TS13414 [0,2,0,0,0,0|0,0,0]=2 2880 B10R1.113 c1cc(cc(c1)N)C(=O)O TS37103 [0,2,0,0,0,0|0,0,0]=2 2881 B10R1.113 c1cc(cc(c1)N)C(=O)[O-] TS11098 [0,2,0,0,0,0|0,0,0]=2 2882 B10R1.113 c1cc(cc(c1)N)C(=S)N TS41179 [0,2,0,0,0,0|0,1,0]=3 2883 B10R1.113 c1cc(cc(c1)O)C(=O)N TS70620 [0,2,0,0,0,0|0,0,0]=2 2884 B10R1.113 c1cc(cc(c1)O)C(=O)O TS06229 [0,2,0,0,0,0|0,0,0]=2 2885 B10R1.113 c1cc(cc(c1)O)C(=O)[O-] TS42112 [0,2,0,0,0,0|0,0,0]=2 2886 B10R1.113 c1cc(cc(c1)O)C(=S)N TS10338 [0,2,0,0,0,0|0,1,0]=3 2887 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] TS01569 [0,2,0,0,0,0|1,0,0]=3 2888 B10R1.113 c1cc(cc(c1)S)C(=O)O TS41386 [0,2,0,0,0,0|0,0,0]=2 2889 B10R1.113 c1cc(cc(c1)[N+](=O)[O-])N TS02863 [0,2,0,0,0,0|1,0,0]=3 2890 B10R1.113 c1cc(cn(=O)c1)C(=O)N TS37161 [0,2,0,0,0,0|1,0,0]=3 2891 B10R1.113 c1cc(cn(=O)c1)C(=O)O TS06349 [0,2,0,0,0,0|1,0,0]=3 2892 B10R1.113 c1cc(nc(c1)Br)C(=N)N TS25961 [0,2,0,0,0,0|2,0,0]=4 2893 B10R1.113 c1cc(nc(c1)Br)C(=O)N TS19141 [0,2,0,0,0,0|1,0,0]=3 2894 B10R1.113 c1cc(nc(c1)Br)C(=O)O TS16477 [0,2,0,0,0,0|1,0,0]=3 2895 B10R1.113 c1cc(nc(c1)Br)[N+](=O)[O-] TS08375 [0,2,0,0,0,0|2,0,0]=4 2896 B10R1.113 c1cc(nc(c1)Cl)C(=O)O TS55587 [0,2,0,0,0,0|1,0,0]=3 2897 B10R1.113 c1cc(nc(c1)Cl)[N+](=O)[O-] TS00941 [0,2,0,0,0,0|2,0,0]=4 2898 B10R1.113 c1cc(nc(c1)F)C(=O)O TS01235 [0,2,0,0,0,0|1,0,0]=3 2899 B10R1.113 c1cc(nc(c1)I)C(=O)N TS62507 [0,2,0,0,0,0|1,0,0]=3 2900 B10R1.113 c1cc(nc(c1)I)C(=O)O TS27851 [0,2,0,0,0,0|1,0,0]=3 2901 B10R1.113 c1cc(nc(c1)N)C(=O)O TS01213 [0,2,0,0,0,0|1,0,0]=3 2902 B10R1.113 c1cc(nc(c1)O)C(=O)O TS01240 [0,2,0,0,0,0|1,0,0]=3 2903 B10R1.113 c1cc(nc(c1)[N+](=O)[O-])N TS55629 [0,2,0,0,0,0|2,0,0]=4 2904 B10R1.113 c1cc(oc(=O)c1)C(=O)O TS06409 [0,2,0,0,0,0|1,0,0]=3 2905 B10R1.113 c1cnc(=O)[nH]c1C(=O)O TS06412 [0,2,0,0,0,0|2,0,0]=4 2906 B10R1.113 c1cnc(cc1Br)C(=O)N TS19142 [0,2,0,0,0,0|1,0,0]=3 2907 B10R1.113 c1cnc(cc1Br)C(=O)O TS09612 [0,2,0,0,0,0|1,0,0]=3 2908 B10R1.113 c1cnc(cc1C(=O)Cl)Cl TS46031 [0,2,0,0,0,0|1,0,0]=3 2909 B10R1.113 c1cnc(cc1C(=O)N)Br TS00863 [0,2,0,0,0,0|1,0,0]=3 2910 B10R1.113 c1cnc(cc1C(=O)N)Cl TS07940 [0,2,0,0,0,0|1,0,0]=3 2911 B10R1.113 c1cnc(cc1C(=O)N)N TS06173 [0,2,0,0,0,0|1,0,0]=3 2912 B10R1.113 c1cnc(cc1C(=O)O)Br TS55109 [0,2,0,0,0,0|1,0,0]=3 2913 B10R1.113 c1cnc(cc1C(=O)O)Cl TS85374 [0,2,0,0,0,0|1,0,0]=3 2914 B10R1.113 c1cnc(cc1C(=O)O)F TS01028 [0,2,0,0,0,0|1,0,0]=3 2915 B10R1.113 c1cnc(cc1C(=O)O)I TS07726 [0,2,0,0,0,0|1,0,0]=3 2916 B10R1.113 c1cnc(cc1C(=O)O)N TS47473 [0,2,0,0,0,0|1,0,0]=3 2917 B10R1.113 c1cnc(cc1C(=O)O)O TS06352 [0,2,0,0,0,0|1,0,0]=3 2918 B10R1.113 c1cnc(cc1Cl)C(=O)Cl TS09691 [0,2,0,0,0,0|1,0,0]=3 2919 B10R1.113 c1cnc(cc1Cl)C(=O)N TS09686 [0,2,0,0,0,0|1,0,0]=3 2920 B10R1.113 c1cnc(cc1Cl)C(=O)O TS09687 [0,2,0,0,0,0|1,0,0]=3 2921 B10R1.113 c1cnc(cc1Cl)[N+](=O)[O-] TS71027 [0,2,0,0,0,0|2,0,0]=4 2922 B10R1.113 c1cnc(cc1F)C(=O)O TS09128 [0,2,0,0,0,0|1,0,0]=3 2923 B10R1.113 c1cnc(cc1F)[N+](=O)[O-] TS06644 [0,2,0,0,0,0|2,0,0]=4 2924 B10R1.113 c1cnc(cc1I)C(=O)O TS88205 [0,2,0,0,0,0|1,0,0]=3 2925 B10R1.113 c1cnc(cc1N)C(=O)O TS88808 [0,2,0,0,0,0|1,0,0]=3 2926 B10R1.113 c1cnc(cc1N)[N+](=O)[O-] TS02969 [0,2,0,0,0,0|2,0,0]=4 2927 B10R1.113 c1cnc(cc1O)C(=O)O TS03133 [0,2,0,0,0,0|1,0,0]=3 2928 B10R1.113 c1cnc(cc1O)[N+](=O)[O-] TS06411 [0,2,0,0,0,0|2,0,0]=4 2929 B10R1.113 c1cnc(cc1[N+](=O)[O-])Br TS55108 [0,2,0,0,0,0|2,0,0]=4 2930 B10R1.113 c1cnc(cc1[N+](=O)[O-])Cl TS00893 [0,2,0,0,0,0|2,0,0]=4 2931 B10R1.113 c1cnc(cc1[N+](=O)[O-])F TS94879 [0,2,0,0,0,0|2,0,0]=4 2932 B10R1.113 c1cnc(cc1[N+](=O)[O-])N TS71261 [0,2,0,0,0,0|2,0,0]=4 2933 B10R1.113 c1cnc(cc1[N+](=O)[O-])O TS06413 [0,2,0,0,0,0|2,0,0]=4 2934 B10R1.113 c1cnc(nc1C(=O)N)Cl TS88415 [0,2,0,0,0,0|2,0,0]=4 2935 B10R1.113 c1cnc(nc1C(=O)O)Cl TS00961 [0,2,0,0,0,0|2,0,0]=4 2936 B10R1.113 c1coc(cc1=O)C(=O)O TS37334 [0,2,0,0,0,0|1,0,0]=3 2937 B10R1.172 C#Cc1cccc(c1)C#C TS05165 [0,2,0,0,0,0|1,0,1]=4 2938 B10R1.172 C=Cc1cccc(c1)C=C TS36517 [0,2,0,0,0,0|1,0,0]=3 2939 B10R1.172 C=Cc1cccc(c1)C=O TS05736 [0,2,0,0,0,0|0,0,0]=2 2940 B10R1.172 CCc1cccc(c1)C#N TS00148 [0,2,0,0,0,0|1,0,1]=4 2941 B10R1.172 CCc1cccc(c1)C=O TS36830 [0,2,0,0,0,0|0,0,0]=2 2942 B10R1.172 CCc1cccc(c1)NN TS13273 [0,2,0,0,0,0|1,0,1]=4 2943 B10R1.172 CNc1cccc(c1)OC TS37104 [0,2,0,0,0,0|2,0,0]=4 2944 B10R1.172 COc1cc(ccn1)C=O TS55432 [0,2,0,0,0,0|1,0,0]=3 2945 B10R1.172 COc1cc(cnc1)C=O TS37089 [0,2,0,0,0,0|1,0,0]=3 2946 B10R1.172 COc1cccc(c1)C#C TS36666 [0,2,0,0,0,0|1,0,1]=4 2947 B10R1.172 COc1cccc(c1)C#N TS39448 [0,2,0,0,0,0|1,0,1]=4 2948 B10R1.172 COc1cccc(c1)C=O TS02819 [0,2,0,0,0,0|0,0,0]=2 2949 B10R1.172 COc1cccc(c1)CBr TS38037 [0,2,0,0,0,0|1,0,1]=4 2950 B10R1.172 COc1cccc(c1)CCl TS39449 [0,2,0,0,0,0|1,0,1]=4 2951 B10R1.172 COc1cccc(c1)CN TS60017 [0,2,0,0,0,0|1,0,1]=4 2952 B10R1.172 COc1cccc(c1)CO TS39311 [0,2,0,0,0,0|0,0,2]=4 2953 B10R1.172 COc1cccc(c1)C[Zn+] TS50042 [0,2,0,0,0,0|1,0,1]=4 2954 B10R1.172 COc1cccc(c1)NN TS02825 [0,2,0,0,0,0|2,0,0]=4 2955 B10R1.172 COc1cccc(c1)OC TS46804 [0,2,0,0,0,0|2,0,0]=4 2956 B10R1.172 COc1cccc(c1)SC TS41406 [0,2,0,0,0,0|2,0,0]=4 2957 B10R1.172 COc1cccc(c1)[Mg]Br TS44049 [0,2,0,0,0,0|2,0,0]=4 2958 B10R1.172 COc1cccc(n1)C=O TS01259 [0,2,0,0,0,0|1,0,0]=3 2959 B10R1.172 CSc1nccc(n1)C=O TS02454 [0,2,0,0,0,0|2,0,0]=4 2960 B10R1.172 c1c(cncc1C#N)C=O TS39352 [0,2,0,0,0,0|1,0,0]=3 2961 B10R1.172 c1c(cncc1C=O)C=O TS05971 [0,2,0,0,0,0|1,0,0]=3 2962 B10R1.172 c1c(cncc1C=O)CN TS06067 [0,2,0,0,0,0|1,0,0]=3 2963 B10R1.172 c1cc(cc(c1)C#N)C#N TS46799 [0,2,0,0,0,0|1,0,1]=4 2964 B10R1.172 c1cc(cc(c1)C#N)C=O TS66017 [0,2,0,0,0,0|0,0,0]=2 2965 B10R1.172 c1cc(cc(c1)C#N)CBr TS02725 [0,2,0,0,0,0|1,0,1]=4 2966 B10R1.172 c1cc(cc(c1)C#N)CCl TS00144 [0,2,0,0,0,0|1,0,1]=4 2967 B10R1.172 c1cc(cc(c1)C#N)CN TS02724 [0,2,0,0,0,0|1,0,1]=4 2968 B10R1.172 c1cc(cc(c1)C#N)CN TS12626 [0,2,0,0,0,0|1,0,1]=4 2969 B10R1.172 c1cc(cc(c1)C#N)C[Zn+] TS29700 [0,2,0,0,0,0|1,0,1]=4 2970 B10R1.172 c1cc(cc(c1)C=O)C=O TS59648 [0,2,0,0,0,0|0,0,0]=2 2971 B10R1.172 c1cc(cc(c1)C=O)CBr TS65062 [0,2,0,0,0,0|0,0,0]=2 2972 B10R1.172 c1cc(cc(c1)CBr)CBr TS29983 [0,2,0,0,0,0|1,0,1]=4 2973 B10R1.172 c1cc(cc(c1)CBr)CO TS38049 [0,2,0,0,0,0|0,0,2]=4 2974 B10R1.172 c1cc(cc(c1)CCl)CCl TS13623 [0,2,0,0,0,0|1,0,1]=4 2975 B10R1.172 c1cc(cc(c1)CN)CN TS39703 [0,2,0,0,0,0|1,0,1]=4 2976 B10R1.172 c1cc(cc(c1)CO)CO TS06249 [0,2,0,0,0,0|0,0,2]=4 2977 B10R1.172 c1cc(cc(c1)CS)CS TS12898 [0,2,0,0,0,0|0,1,1]=4 2978 B10R1.172 c1cc(cc(c1)NN)C#N TS02728 [0,2,0,0,0,0|1,0,1]=4 2979 B10R1.172 c1cc(cc(c1)NN)C#N TS12729 [0,2,0,0,0,0|1,0,1]=4 2980 B10R1.172 c1cc(nc(c1)C=O)C=O TS05969 [0,2,0,0,0,0|1,0,0]=3 2981 B10R1.172 c1cc(nc(c1)C=O)CF TS37266 [0,2,0,0,0,0|1,0,0]=3 2982 B10R1.172 c1cnc(cc1C=O)C#N TS00974 [0,2,0,0,0,0|1,0,0]=3 2983 B10R1.172 c1cnc(cc1C=O)CN TS06057 [0,2,0,0,0,0|1,0,0]=3 2984 B10R1.15 C#CC(c1ccccc1)O TS36663 [0,2,0,0,0,0|0,0,2]=4 2985 B10R1.15 C=C(CO)c1ccncc1 TS36912 [0,2,0,0,0,0|1,0,1]=4 2986 B10R1.15 C=CC(c1ccccc1)Cl TS41223 [0,2,0,0,0,0|1,0,0]=3 2987 B10R1.15 C=CC(c1ccccc1)O TS36829 [0,2,0,0,0,0|1,0,0]=3 2988 B10R1.15 C=CS(=O)c1ccccc1 TS41168 [0,2,0,0,0,0|1,0,0]=3 2989 B10R1.15 C=C[C@@H](c1ccccc1)O TS36848 [0,2,0,0,0,0|1,0,0]=3 2990 B10R1.15 C=C[C@H](c1ccccc1)O TS36828 [0,2,0,0,0,0|1,0,0]=3 2991 B10R1.15 CC(=NN)c1ccccc1 TS05912 [0,2,0,0,0,0|1,0,0]=3 2992 B10R1.15 CC(=NO)c1ccccc1 TS36930 [0,2,0,0,0,0|0,0,1]=3 2993 B10R1.15 CC(=NO)c1cccnc1 TS06046 [0,2,0,0,0,0|1,0,1]=4 2994 B10R1.15 CC(=NO)c1ccncc1 TS06055 [0,2,0,0,0,0|1,0,1]=4 2995 B10R1.15 CC(CBr)c1ccccc1 TS54166 [0,2,0,0,0,0|1,0,1]=4 2996 B10R1.15 CC(CN)c1ccccc1 TS36949 [0,2,0,0,0,0|1,0,1]=4 2997 B10R1.15 CC(CO)c1ccccc1 TS06093 [0,2,0,0,0,0|0,0,2]=4 2998 B10R1.15 CC(c1ccccc1)[N+]#[C-] TS05667 [0,2,0,0,0,0|1,0,1]=4 2999 B10R1.15 CC=C(C)c1ccccc1 TS36697 [0,2,0,0,0,0|1,0,0]=3 3000 B10R1.15 CCC(=C)c1ccccc1 TS36703 [0,2,0,0,0,0|1,0,0]=3 3001 B10R1.15 CCC(=O)c1ccccc1 TS00059 [0,2,0,0,0,0|0,0,0]=2 3002 B10R1.15 CCC(=O)c1ccccn1 TS36934 [0,2,0,0,0,0|1,0,0]=3 3003 B10R1.15 CCC(=O)c1cccnc1 TS36927 [0,2,0,0,0,0|1,0,0]=3 3004 B10R1.15 CCC(=O)c1ccncc1 TS36919 [0,2,0,0,0,0|1,0,0]=3 3005 B10R1.15 CCC(=O)c1cnccn1 TS88981 [0,2,0,0,0,0|2,0,0]=4 3006 B10R1.15 CCC(C)c1ccccc1 TS36864 [0,2,0,0,0,0|1,0,1]=4 3007 B10R1.15 CCC(c1ccccc1)N TS36947 [0,2,0,0,0,0|1,0,1]=4 3008 B10R1.15 CCC(c1ccccc1)O TS37007 [0,2,0,0,0,0|0,0,2]=4 3009 B10R1.15 CCN(C)c1ccccc1 TS36948 [0,2,0,0,0,0|1,0,1]=4 3010 B10R1.15 CCN(c1ccccc1)N TS06110 [0,2,0,0,0,0|1,0,1]=4 3011 B10R1.15 CC[C@H](c1ccccc1)N TS46586 [0,2,0,0,0,0|1,0,1]=4 3012 B10R1.15 CC[C@H](c1ccccc1)O TS00311 [0,2,0,0,0,0|0,0,2]=4 3013 B10R1.15 CN(C=O)c1ccccc1 TS36925 [0,2,0,0,0,0|0,0,0]=2 3014 B10R1.15 CN(C=O)c1ccccn1 TS06069 [0,2,0,0,0,0|1,0,0]=3 3015 B10R1.15 CN(c1ccccc1)N=O TS06063 [0,2,0,0,0,0|1,0,0]=3 3016 B10R1.15 CNC(=O)c1ccccc1 TS01597 [0,2,0,0,0,0|0,0,0]=2 3017 B10R1.15 CNC(=O)c1cccnc1 TS06060 [0,2,0,0,0,0|1,0,0]=3 3018 B10R1.15 COC(=N)c1ccccc1 TS45386 [0,2,0,0,0,0|0,0,1]=3 3019 B10R1.15 COC(=N)c1ccccn1 TS02314 [0,2,0,0,0,0|1,0,1]=4 3020 B10R1.15 COC(=O)N1CC=CC=C1 TS06359 [0,2,0,0,0,0|1,0,1]=4 3021 B10R1.15 COC(=O)c1ccccc1 TS00163 [0,2,0,0,0,0|0,0,0]=2 3022 B10R1.15 COC(=O)c1ccccn1 TS06161 [0,2,0,0,0,0|1,0,0]=3 3023 B10R1.15 COC(=O)c1cccnc1 TS37100 [0,2,0,0,0,0|1,0,0]=3 3024 B10R1.15 COC(=O)c1cccnn1 TS90030 [0,2,0,0,0,0|2,0,0]=4 3025 B10R1.15 COC(=O)c1ccncc1 TS06163 [0,2,0,0,0,0|1,0,0]=3 3026 B10R1.15 COC(=O)c1ccncn1 TS59823 [0,2,0,0,0,0|2,0,0]=4 3027 B10R1.15 COC(=O)c1ccnnc1 TS90861 [0,2,0,0,0,0|2,0,0]=4 3028 B10R1.15 COC(=O)c1cncnc1 TS01558 [0,2,0,0,0,0|2,0,0]=4 3029 B10R1.15 COC(=O)c1ncccn1 TS01557 [0,2,0,0,0,0|2,0,0]=4 3030 B10R1.15 COS(=O)c1ccccc1 TS10693 [0,2,0,0,0,0|1,0,0]=3 3031 B10R1.15 C[C@@H](CN)c1ccccc1 TS08913 [0,2,0,0,0,0|1,0,1]=4 3032 B10R1.15 C[C@@H](CO)c1ccccc1 TS37012 [0,2,0,0,0,0|0,0,2]=4 3033 B10R1.15 C[C@@H](c1ccccc1)NC TS36939 [0,2,0,0,0,0|1,0,1]=4 3034 B10R1.15 C[C@@H](c1ccccc1)NO TS37112 [0,2,0,0,0,0|0,0,2]=4 3035 B10R1.15 C[C@H](CN)c1ccccc1 TS08921 [0,2,0,0,0,0|1,0,1]=4 3036 B10R1.15 C[C@H](CO)c1ccccc1 TS37011 [0,2,0,0,0,0|0,0,2]=4 3037 B10R1.15 C[C@H](C[NH-])c1ccccc1 TS40751 [0,2,0,0,0,0|1,0,1]=4 3038 B10R1.15 C[C@H](c1ccccc1)NC TS39981 [0,2,0,0,0,0|1,0,1]=4 3039 B10R1.15 C[C@H](c1ccccc1)NO TS06188 [0,2,0,0,0,0|0,0,2]=4 3040 B10R1.15 C[C@H](c1ccccc1)[N+]#[C-] TS05668 [0,2,0,0,0,0|1,0,1]=4 3041 B10R1.15 c1cc(cnc1)C(=NO)N TS08672 [0,2,0,0,0,0|1,0,1]=4 3042 B10R1.15 c1cc(cnc1)C(=O)CBr TS09434 [0,2,0,0,0,0|1,0,0]=3 3043 B10R1.15 c1cc(cnc1)C(=O)CCl TS94820 [0,2,0,0,0,0|1,0,0]=3 3044 B10R1.15 c1cc(cnc1)C(=O)NN TS56400 [0,2,0,0,0,0|1,0,0]=3 3045 B10R1.15 c1cc(cnc1)C(=O)NO TS37159 [0,2,0,0,0,0|1,0,0]=3 3046 B10R1.15 c1ccc(cc1)C(=CBr)Br TS29726 [0,2,0,0,0,0|1,0,0]=3 3047 B10R1.15 c1ccc(cc1)C(=NN)Cl TS41464 [0,2,0,0,0,0|1,0,0]=3 3048 B10R1.15 c1ccc(cc1)C(=NO)Cl TS10615 [0,2,0,0,0,0|0,0,1]=3 3049 B10R1.15 c1ccc(cc1)C(=O)C#N TS05650 [0,2,0,0,0,0|0,0,0]=2 3050 B10R1.15 c1ccc(cc1)C(=O)C=O TS36799 [0,2,0,0,0,0|0,0,0]=2 3051 B10R1.15 c1ccc(cc1)C(=O)CBr TS55148 [0,2,0,0,0,0|0,0,0]=2 3052 B10R1.15 c1ccc(cc1)C(=O)CCl TS10529 [0,2,0,0,0,0|0,0,0]=2 3053 B10R1.15 c1ccc(cc1)C(=O)CN TS47462 [0,2,0,0,0,0|0,0,0]=2 3054 B10R1.15 c1ccc(cc1)C(=O)CO TS55394 [0,2,0,0,0,0|0,0,0]=2 3055 B10R1.15 c1ccc(cc1)C(=O)NN TS55745 [0,2,0,0,0,0|0,0,0]=2 3056 B10R1.15 c1ccc(cc1)C(=O)NO TS37093 [0,2,0,0,0,0|0,0,0]=2 3057 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS11100 [0,2,0,0,0,0|0,0,0]=2 3058 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS13711 [0,2,0,0,0,0|0,0,0]=2 3059 B10R1.15 c1ccc(cc1)C(C#N)Br TS18169 [0,2,0,0,0,0|1,0,1]=4 3060 B10R1.15 c1ccc(cc1)C(C#N)N TS22755 [0,2,0,0,0,0|1,0,1]=4 3061 B10R1.15 c1ccc(cc1)C(CBr)Br TS29982 [0,2,0,0,0,0|1,0,1]=4 3062 B10R1.15 c1ccc(cc1)C(CBr)O TS08926 [0,2,0,0,0,0|0,0,2]=4 3063 B10R1.15 c1ccc(cc1)C(CN)Cl TS41559 [0,2,0,0,0,0|1,0,1]=4 3064 B10R1.15 c1ccc(cc1)C(CN)N TS37030 [0,2,0,0,0,0|1,0,1]=4 3065 B10R1.15 c1ccc(cc1)C(CN)O TS45701 [0,2,0,0,0,0|0,0,2]=4 3066 B10R1.15 c1ccc(cc1)C(CN)O TS93680 [0,2,0,0,0,0|0,0,2]=4 3067 B10R1.15 c1ccc(cc1)C(CO)N TS37105 [0,2,0,0,0,0|0,0,2]=4 3068 B10R1.15 c1ccc(cc1)C(CO)O TS06242 [0,2,0,0,0,0|0,0,2]=4 3069 B10R1.15 c1ccc(cc1)N(N=O)[O-] TS10566 [0,2,0,0,0,0|1,0,0]=3 3070 B10R1.15 c1ccc(cc1)N(N=O)[O-] TS70284 [0,2,0,0,0,0|1,0,0]=3 3071 B10R1.15 c1ccc(cc1)S(=O)CCl TS45878 [0,2,0,0,0,0|1,0,0]=3 3072 B10R1.15 c1ccc(cc1)[C@@H](CCl)O TS10799 [0,2,0,0,0,0|0,0,2]=4 3073 B10R1.15 c1ccc(cc1)[C@@H](CN)O TS64977 [0,2,0,0,0,0|0,0,2]=4 3074 B10R1.15 c1ccc(cc1)[C@@H](CO)N TS06187 [0,2,0,0,0,0|0,0,2]=4 3075 B10R1.15 c1ccc(cc1)[C@@H](CO)O TS08646 [0,2,0,0,0,0|0,0,2]=4 3076 B10R1.15 c1ccc(cc1)[C@H](C#N)O TS36753 [0,2,0,0,0,0|0,0,2]=4 3077 B10R1.15 c1ccc(cc1)[C@H](CCl)O TS41718 [0,2,0,0,0,0|0,0,2]=4 3078 B10R1.15 c1ccc(cc1)[C@H](CN)O TS08918 [0,2,0,0,0,0|0,0,2]=4 3079 B10R1.15 c1ccc(cc1)[C@H](CO)N TS00302 [0,2,0,0,0,0|0,0,2]=4 3080 B10R1.15 c1ccc(cc1)[C@H](CO)O TS59488 [0,2,0,0,0,0|0,0,2]=4 3081 B10R1.15 c1ccnc(c1)C(=NO)N TS06176 [0,2,0,0,0,0|1,0,1]=4 3082 B10R1.15 c1ccnc(c1)C(=O)CBr TS18939 [0,2,0,0,0,0|1,0,0]=3 3083 B10R1.15 c1ccnc(c1)C(=O)CBr TS55077 [0,2,0,0,0,0|1,0,0]=3 3084 B10R1.15 c1ccnc(c1)C(=O)NN TS06175 [0,2,0,0,0,0|1,0,0]=3 3085 B10R1.15 c1cnc(cn1)C(=O)CBr TS08470 [0,2,0,0,0,0|2,0,0]=4 3086 B10R1.15 c1cnc(cn1)C(=O)NN TS37166 [0,2,0,0,0,0|2,0,0]=4 3087 B10R1.15 c1cnccc1C(=NO)N TS77169 [0,2,0,0,0,0|1,0,1]=4 3088 B10R1.15 c1cnccc1C(=O)CBr TS16896 [0,2,0,0,0,0|1,0,0]=3 3089 B10R1.15 c1cnccc1C(=O)NN TS06172 [0,2,0,0,0,0|1,0,0]=3 3090 B10R1.15 c1cncnc1C(=O)NN TS37167 [0,2,0,0,0,0|2,0,0]=4 3091 B10R1.28 CC(C)(C)c1ccccc1 TS36860 [0,2,0,0,0,0|1,0,1]=4 3092 B10R1.28 CC(C)(c1ccccc1)Cl TS55727 [0,2,0,0,0,0|1,0,1]=4 3093 B10R1.28 CC(C)(c1ccccc1)N TS01396 [0,2,0,0,0,0|1,0,1]=4 3094 B10R1.28 CC(C)(c1ccccc1)O TS37014 [0,2,0,0,0,0|0,0,2]=4 3095 B10R1.28 CC(C)(c1ccccc1)S TS41195 [0,2,0,0,0,0|0,1,1]=4 3096 B10R1.28 CP(=O)(c1ccccc1)O TS10652 [0,2,0,0,0,0|1,0,0]=3 3097 B10R1.28 CS(=N)(=O)c1ccccc1 TS10592 [0,2,0,0,0,0|1,0,0]=3 3098 B10R1.28 CS(=N)(=O)c1ccccc1 TS10595 [0,2,0,0,0,0|1,0,0]=3 3099 B10R1.28 CS(=O)(=O)c1ccccc1 TS10691 [0,2,0,0,0,0|1,0,0]=3 3100 B10R1.28 C[Ge](C)(C)c1ccccc1 TS17979 [0,2,0,0,0,0|1,1,0]=4 3101 B10R1.28 C[Ge](C)(c1ccccc1)Cl TS44679 [0,2,0,0,0,0|1,1,0]=4 3102 B10R1.28 C[N+](C)(C)c1ccccc1 TS13087 [0,2,0,0,0,0|2,0,0]=4 3103 B10R1.28 C[N+](C)(C)c1ccccc1 TS21988 [0,2,0,0,0,0|2,0,0]=4 3104 B10R1.28 C[N+](C)(C)c1ccccc1 TS27630 [0,2,0,0,0,0|2,0,0]=4 3105 B10R1.28 C[N+](C)(C)c1ccccc1 TS41300 [0,2,0,0,0,0|2,0,0]=4 3106 B10R1.28 C[Si](C)(C)c1ccccc1 TS40935 [0,2,0,0,0,0|1,1,0]=4 3107 B10R1.28 C[Si](C)(c1ccccc1)Cl TS12944 [0,2,0,0,0,0|1,1,0]=4 3108 B10R1.28 C[Si](C)(c1ccccc1)F TS41455 [0,2,0,0,0,0|1,1,0]=4 3109 B10R1.28 C[Sn](C)(C)c1ccccc1 TS57483 [0,2,0,0,0,0|2,0,0]=4 3110 B10R1.28 [B-](c1ccccc1)(F)(F)F TS48512 [0,2,0,0,0,0|2,0,0]=4 3111 B10R1.28 c1c[nH+]ccc1S(=O)(=O)Cl TS32976 [0,2,0,0,0,0|2,0,0]=4 3112 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl TS59375 [0,2,0,0,0,0|2,0,0]=4 3113 B10R1.28 c1cc(cnc1)S(=O)(=O)Cl TS93392 [0,2,0,0,0,0|2,0,0]=4 3114 B10R1.28 c1cc(cnc1)S(=O)(=O)O TS02890 [0,2,0,0,0,0|2,0,0]=4 3115 B10R1.28 c1cc(cnc1)S(=O)(=O)[O-] TS48048 [0,2,0,0,0,0|2,0,0]=4 3116 B10R1.28 c1ccc(cc1)C(Cl)(Cl)Cl TS52078 [0,2,0,0,0,0|1,0,1]=4 3117 B10R1.28 c1ccc(cc1)C(F)(F)F TS40366 [0,2,0,0,0,0|1,0,1]=4 3118 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl TS59342 [0,2,0,0,0,0|1,0,0]=3 3119 B10R1.28 c1ccc(cc1)P(=O)(O)O TS29485 [0,2,0,0,0,0|1,0,0]=3 3120 B10R1.28 c1ccc(cc1)P(=O)([O-])[O-] TS38199 [0,2,0,0,0,0|1,0,0]=3 3121 B10R1.28 c1ccc(cc1)P(=S)(Cl)Cl TS21054 [0,2,0,0,0,0|1,1,0]=4 3122 B10R1.28 c1ccc(cc1)S(=O)(=O)Br TS49902 [0,2,0,0,0,0|1,0,0]=3 3123 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl TS13945 [0,2,0,0,0,0|1,0,0]=3 3124 B10R1.28 c1ccc(cc1)S(=O)(=O)F TS11207 [0,2,0,0,0,0|1,0,0]=3 3125 B10R1.28 c1ccc(cc1)S(=O)(=O)N TS39806 [0,2,0,0,0,0|1,0,0]=3 3126 B10R1.28 c1ccc(cc1)S(=O)(=O)O TS10960 [0,2,0,0,0,0|1,0,0]=3 3127 B10R1.28 c1ccc(cc1)S(=O)(=O)O TS24749 [0,2,0,0,0,0|1,0,0]=3 3128 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS14548 [0,2,0,0,0,0|1,0,0]=3 3129 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS18299 [0,2,0,0,0,0|1,0,0]=3 3130 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS34113 [0,2,0,0,0,0|1,0,0]=3 3131 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS60104 [0,2,0,0,0,0|1,0,0]=3 3132 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS80092 [0,2,0,0,0,0|1,0,0]=3 3133 B10R1.28 c1ccc(cc1)S(=O)(=S)[O-] TS18254 [0,2,0,0,0,0|1,0,0]=3 3134 B10R1.28 c1ccc(cc1)[Si](Cl)(Cl)Cl TS21192 [0,2,0,0,0,0|1,1,0]=4 3135 B10R1.28 c1ccc(cc1)[Si](F)(F)F TS11533 [0,2,0,0,0,0|1,1,0]=4 3136 B10R1.28 c1ccnc(c1)S(=O)(=O)Cl TS02472 [0,2,0,0,0,0|2,0,0]=4 3137 B10R1.28 c1ccnc(c1)S(=O)(=O)Cl TS02473 [0,2,0,0,0,0|2,0,0]=4 3138 B10R1.28 c1ccnc(c1)S(=O)(=O)N TS87031 [0,2,0,0,0,0|2,0,0]=4 3139 B10R1.28 c1ccnc(c1)S(=O)(=O)O TS59373 [0,2,0,0,0,0|2,0,0]=4 3140 B10R1.28 c1cnccc1S(=O)(=O)Cl TS59377 [0,2,0,0,0,0|2,0,0]=4 3141 B10R1.28 c1cnccc1S(=O)(=O)N TS89706 [0,2,0,0,0,0|2,0,0]=4 3142 B10R1.28 c1cnccc1S(=O)(=O)O TS11115 [0,2,0,0,0,0|2,0,0]=4 3143 B10R1.61 B(c1ccccc1Br)(O)O TS00858 [0,2,0,0,0,0|1,0,1]=4 3144 B10R1.61 B(c1ccccc1C)(O)O TS02443 [0,2,0,0,0,0|1,0,1]=4 3145 B10R1.61 B(c1ccccc1Cl)(O)O TS00951 [0,2,0,0,0,0|1,0,1]=4 3146 B10R1.61 B(c1ccccc1F)(O)O TS37322 [0,2,0,0,0,0|1,0,1]=4 3147 B10R1.61 B(c1ccccc1I)(O)O TS27680 [0,2,0,0,0,0|1,0,1]=4 3148 B10R1.61 B(c1ccccc1N)(O)O TS45687 [0,2,0,0,0,0|1,0,1]=4 3149 B10R1.61 B(c1ccccc1N)(O)O TS94617 [0,2,0,0,0,0|1,0,1]=4 3150 B10R1.61 B(c1ccccc1O)(O)O TS55396 [0,2,0,0,0,0|1,0,1]=4 3151 B10R1.61 B(c1ccccc1S)(O)O TS94336 [0,2,0,0,0,0|1,0,1]=4 3152 B10R1.61 CC(=C)c1ccccc1N TS36780 [0,2,0,0,0,0|1,0,0]=3 3153 B10R1.61 CC(=O)c1c(cccn1)Cl TS90062 [0,2,0,0,0,0|1,0,0]=3 3154 B10R1.61 CC(=O)c1c(cccn1)F TS08247 [0,2,0,0,0,0|1,0,0]=3 3155 B10R1.61 CC(=O)c1c(cccn1)N TS06066 [0,2,0,0,0,0|1,0,0]=3 3156 B10R1.61 CC(=O)c1c(cccn1)O TS37090 [0,2,0,0,0,0|1,0,0]=3 3157 B10R1.61 CC(=O)c1c(nccn1)Cl TS90872 [0,2,0,0,0,0|2,0,0]=4 3158 B10R1.61 CC(=O)c1c(nccn1)N TS87446 [0,2,0,0,0,0|2,0,0]=4 3159 B10R1.61 CC(=O)c1ccccc1Br TS54149 [0,2,0,0,0,0|0,0,0]=2 3160 B10R1.61 CC(=O)c1ccccc1Cl TS39571 [0,2,0,0,0,0|0,0,0]=2 3161 B10R1.61 CC(=O)c1ccccc1F TS37171 [0,2,0,0,0,0|0,0,0]=2 3162 B10R1.61 CC(=O)c1ccccc1I TS62238 [0,2,0,0,0,0|0,0,0]=2 3163 B10R1.61 CC(=O)c1ccccc1O TS01063 [0,2,0,0,0,0|0,0,0]=2 3164 B10R1.61 CC(=O)c1cccnc1Br TS18940 [0,2,0,0,0,0|1,0,0]=3 3165 B10R1.61 CC(=O)c1cccnc1Cl TS10617 [0,2,0,0,0,0|1,0,0]=3 3166 B10R1.61 CC(=O)c1cccnc1F TS02616 [0,2,0,0,0,0|1,0,0]=3 3167 B10R1.61 CC(=O)c1cccnc1N TS08276 [0,2,0,0,0,0|1,0,0]=3 3168 B10R1.61 CC(=O)c1ccncc1Br TS18937 [0,2,0,0,0,0|1,0,0]=3 3169 B10R1.61 CC(=O)c1ccncc1Br TS76034 [0,2,0,0,0,0|1,0,0]=3 3170 B10R1.61 CC(=O)c1ccncc1F TS08156 [0,2,0,0,0,0|1,0,0]=3 3171 B10R1.61 CC(=O)c1ccncc1N TS06058 [0,2,0,0,0,0|1,0,0]=3 3172 B10R1.61 CC(=O)c1cnccc1F TS37273 [0,2,0,0,0,0|1,0,0]=3 3173 B10R1.61 CC(C)c1ccccc1Br TS46918 [0,2,0,0,0,0|1,0,1]=4 3174 B10R1.61 CC(C)c1ccccc1F TS06286 [0,2,0,0,0,0|1,0,1]=4 3175 B10R1.61 CC(C)c1ccccc1I TS27403 [0,2,0,0,0,0|1,0,1]=4 3176 B10R1.61 CC(C)c1ccccc1N TS06016 [0,2,0,0,0,0|1,0,1]=4 3177 B10R1.61 CC(C)c1ccccc1O TS06094 [0,2,0,0,0,0|1,0,1]=4 3178 B10R1.61 CC(C)c1ccccc1S TS41199 [0,2,0,0,0,0|1,0,1]=4 3179 B10R1.61 CC(C)c1ccccc1[Zn+] TS60954 [0,2,0,0,0,0|1,0,1]=4 3180 B10R1.61 CC(c1ccccc1Br)O TS38045 [0,2,0,0,0,0|0,0,2]=4 3181 B10R1.61 CC(c1ccccc1Cl)N TS10635 [0,2,0,0,0,0|1,0,1]=4 3182 B10R1.61 CC(c1ccccc1Cl)O TS41730 [0,2,0,0,0,0|0,0,2]=4 3183 B10R1.61 CC(c1ccccc1F)N TS37297 [0,2,0,0,0,0|1,0,1]=4 3184 B10R1.61 CC(c1ccccc1F)O TS08150 [0,2,0,0,0,0|0,0,2]=4 3185 B10R1.61 CC1=CCC=CC1C(=O)O TS06256 [0,2,0,0,0,0|0,0,2]=4 3186 B10R1.61 CN(C)c1ccccc1Br TS37850 [0,2,0,0,0,0|2,0,0]=4 3187 B10R1.61 CN(C)c1ccccc1Cl TS10629 [0,2,0,0,0,0|2,0,0]=4 3188 B10R1.61 CN(C)c1ccccc1F TS37299 [0,2,0,0,0,0|2,0,0]=4 3189 B10R1.61 CS(=O)c1ccccc1O TS41630 [0,2,0,0,0,0|1,0,0]=3 3190 B10R1.61 C[C@@H](c1ccccc1Br)O TS38041 [0,2,0,0,0,0|0,0,2]=4 3191 B10R1.61 C[C@@H](c1ccccc1Cl)O TS41717 [0,2,0,0,0,0|0,0,2]=4 3192 B10R1.61 C[C@@H](c1ccccc1F)N TS08101 [0,2,0,0,0,0|1,0,1]=4 3193 B10R1.61 C[C@@H](c1ccccc1F)O TS06459 [0,2,0,0,0,0|0,0,2]=4 3194 B10R1.61 C[C@H](c1ccccc1Cl)N TS51402 [0,2,0,0,0,0|1,0,1]=4 3195 B10R1.61 C[C@H](c1ccccc1Cl)O TS10795 [0,2,0,0,0,0|0,0,2]=4 3196 B10R1.61 C[C@H](c1ccccc1F)N TS08914 [0,2,0,0,0,0|1,0,1]=4 3197 B10R1.61 C[C@H](c1ccccc1F)O TS37366 [0,2,0,0,0,0|0,0,2]=4 3198 B10R1.61 Cc1c(cccn1)C(=O)O TS59977 [0,2,0,0,0,0|1,0,0]=3 3199 B10R1.61 Cc1c(cccn1)C(=O)O TS89838 [0,2,0,0,0,0|1,0,0]=3 3200 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] TS01118 [0,2,0,0,0,0|2,0,0]=4 3201 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] TS86948 [0,2,0,0,0,0|2,0,0]=4 3202 B10R1.61 Cc1c(ccnn1)C(=O)O TS88637 [0,2,0,0,0,0|2,0,0]=4 3203 B10R1.61 Cc1c(nccn1)C(=O)C TS06062 [0,2,0,0,0,0|2,0,0]=4 3204 B10R1.61 Cc1c(nccn1)C(=O)O TS70673 [0,2,0,0,0,0|2,0,0]=4 3205 B10R1.61 Cc1ccccc1C(=C)C TS05768 [0,2,0,0,0,0|1,0,0]=3 3206 B10R1.61 Cc1ccccc1C(=N)N TS12937 [0,2,0,0,0,0|1,0,0]=3 3207 B10R1.61 Cc1ccccc1C(=O)C TS36852 [0,2,0,0,0,0|0,0,0]=2 3208 B10R1.61 Cc1ccccc1C(=O)Cl TS60155 [0,2,0,0,0,0|0,0,0]=2 3209 B10R1.61 Cc1ccccc1C(=O)N TS36917 [0,2,0,0,0,0|0,0,0]=2 3210 B10R1.61 Cc1ccccc1C(=O)O TS01622 [0,2,0,0,0,0|0,0,0]=2 3211 B10R1.61 Cc1ccccc1C(=S)N TS41052 [0,2,0,0,0,0|0,1,0]=3 3212 B10R1.61 Cc1ccccc1C(C)N TS36951 [0,2,0,0,0,0|1,0,1]=4 3213 B10R1.61 Cc1ccccc1C(C)O TS37021 [0,2,0,0,0,0|0,0,2]=4 3214 B10R1.61 Cc1ccccc1N(C)C TS06004 [0,2,0,0,0,0|2,0,0]=4 3215 B10R1.61 Cc1ccccc1[C@@H](C)N TS45398 [0,2,0,0,0,0|1,0,1]=4 3216 B10R1.61 Cc1ccccc1[C@H](C)N TS45395 [0,2,0,0,0,0|1,0,1]=4 3217 B10R1.61 Cc1ccccc1[N+](=O)[O-] TS37088 [0,2,0,0,0,0|1,0,0]=3 3218 B10R1.61 Cc1cccnc1C(=O)O TS37085 [0,2,0,0,0,0|1,0,0]=3 3219 B10R1.61 Cc1cccnc1C(=O)O TS60354 [0,2,0,0,0,0|1,0,0]=3 3220 B10R1.61 Cc1cccnc1[N+](=O)[O-] TS70660 [0,2,0,0,0,0|2,0,0]=4 3221 B10R1.61 Cc1ccncc1C(=O)O TS39766 [0,2,0,0,0,0|1,0,0]=3 3222 B10R1.61 Cc1ccncc1C(=O)O TS71235 [0,2,0,0,0,0|1,0,0]=3 3223 B10R1.61 Cc1ccncc1[N+](=O)[O-] TS71233 [0,2,0,0,0,0|2,0,0]=4 3224 B10R1.61 Cc1ccnnc1C(=O)O TS87416 [0,2,0,0,0,0|2,0,0]=4 3225 B10R1.61 Cc1cnccc1C(=O)N TS02849 [0,2,0,0,0,0|1,0,0]=3 3226 B10R1.61 Cc1cnccc1C(=O)O TS06159 [0,2,0,0,0,0|1,0,0]=3 3227 B10R1.61 Cc1cnccc1C(=O)O TS86033 [0,2,0,0,0,0|1,0,0]=3 3228 B10R1.61 Cc1cnccc1[N+](=O)[O-] TS86937 [0,2,0,0,0,0|2,0,0]=4 3229 B10R1.61 Cc1cnncc1C(=O)O TS87483 [0,2,0,0,0,0|2,0,0]=4 3230 B10R1.61 c1c(c(cnn1)N)C(=O)O TS71384 [0,2,0,0,0,0|2,0,0]=4 3231 B10R1.61 c1c(c(ncn1)C(=O)O)Br TS71448 [0,2,0,0,0,0|2,0,0]=4 3232 B10R1.61 c1c(c(ncn1)C(=O)O)N TS71388 [0,2,0,0,0,0|2,0,0]=4 3233 B10R1.61 c1c(c(ncn1)N)C(=O)O TS70923 [0,2,0,0,0,0|2,0,0]=4 3234 B10R1.61 c1c(c(ncn1)O)C(=O)N TS37260 [0,2,0,0,0,0|2,0,0]=4 3235 B10R1.61 c1cc(c(nc1)Br)C(=O)N TS19143 [0,2,0,0,0,0|1,0,0]=3 3236 B10R1.61 c1cc(c(nc1)Br)C(=O)O TS00853 [0,2,0,0,0,0|1,0,0]=3 3237 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] TS08312 [0,2,0,0,0,0|2,0,0]=4 3238 B10R1.61 c1cc(c(nc1)C(=O)N)N TS59602 [0,2,0,0,0,0|1,0,0]=3 3239 B10R1.61 c1cc(c(nc1)C(=O)N)O TS06240 [0,2,0,0,0,0|1,0,0]=3 3240 B10R1.61 c1cc(c(nc1)C(=O)O)Br TS85444 [0,2,0,0,0,0|1,0,0]=3 3241 B10R1.61 c1cc(c(nc1)C(=O)O)Cl TS66011 [0,2,0,0,0,0|1,0,0]=3 3242 B10R1.61 c1cc(c(nc1)C(=O)O)F TS70603 [0,2,0,0,0,0|1,0,0]=3 3243 B10R1.61 c1cc(c(nc1)C(=O)O)I TS27852 [0,2,0,0,0,0|1,0,0]=3 3244 B10R1.61 c1cc(c(nc1)C(=O)O)N TS02640 [0,2,0,0,0,0|1,0,0]=3 3245 B10R1.61 c1cc(c(nc1)C(=O)O)O TS02795 [0,2,0,0,0,0|1,0,0]=3 3246 B10R1.61 c1cc(c(nc1)C(=O)O)S TS51373 [0,2,0,0,0,0|1,0,0]=3 3247 B10R1.61 c1cc(c(nc1)Cl)C(=N)N TS10626 [0,2,0,0,0,0|2,0,0]=4 3248 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl TS23000 [0,2,0,0,0,0|1,0,0]=3 3249 B10R1.61 c1cc(c(nc1)Cl)C(=O)N TS00077 [0,2,0,0,0,0|1,0,0]=3 3250 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS51738 [0,2,0,0,0,0|1,0,0]=3 3251 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS55284 [0,2,0,0,0,0|1,0,0]=3 3252 B10R1.61 c1cc(c(nc1)Cl)[N+](=O)[O-] TS55209 [0,2,0,0,0,0|2,0,0]=4 3253 B10R1.61 c1cc(c(nc1)F)C(=O)O TS01039 [0,2,0,0,0,0|1,0,0]=3 3254 B10R1.61 c1cc(c(nc1)F)[N+](=O)[O-] TS08407 [0,2,0,0,0,0|2,0,0]=4 3255 B10R1.61 c1cc(c(nc1)N)C(=O)N TS06174 [0,2,0,0,0,0|1,0,0]=3 3256 B10R1.61 c1cc(c(nc1)N)C(=O)O TS85373 [0,2,0,0,0,0|1,0,0]=3 3257 B10R1.61 c1cc(c(nc1)N)C(=O)O TS90622 [0,2,0,0,0,0|1,0,0]=3 3258 B10R1.61 c1cc(c(nc1)N)[N+](=O)[O-] TS00726 [0,2,0,0,0,0|2,0,0]=4 3259 B10R1.61 c1cc(c(nc1)O)C(=O)O TS02008 [0,2,0,0,0,0|1,0,0]=3 3260 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] TS55387 [0,2,0,0,0,0|2,0,0]=4 3261 B10R1.61 c1cc(c(nc1)S)C(=O)O TS41510 [0,2,0,0,0,0|1,0,0]=3 3262 B10R1.61 c1cc(c(nc1)S)[N+](=O)[O-] TS02857 [0,2,0,0,0,0|2,0,0]=4 3263 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])Br TS65910 [0,2,0,0,0,0|2,0,0]=4 3264 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])Cl TS65981 [0,2,0,0,0,0|2,0,0]=4 3265 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])F TS70576 [0,2,0,0,0,0|2,0,0]=4 3266 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])I TS62779 [0,2,0,0,0,0|2,0,0]=4 3267 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])N TS09399 [0,2,0,0,0,0|2,0,0]=4 3268 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])O TS02788 [0,2,0,0,0,0|2,0,0]=4 3269 B10R1.61 c1ccc(c(c1)C(=N)N)F TS01020 [0,2,0,0,0,0|1,0,0]=3 3270 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br TS55156 [0,2,0,0,0,0|0,0,0]=2 3271 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl TS13613 [0,2,0,0,0,0|0,0,0]=2 3272 B10R1.61 c1ccc(c(c1)C(=O)Cl)F TS11080 [0,2,0,0,0,0|0,0,0]=2 3273 B10R1.61 c1ccc(c(c1)C(=O)Cl)I TS07725 [0,2,0,0,0,0|0,0,0]=2 3274 B10R1.61 c1ccc(c(c1)C(=O)N)Br TS18931 [0,2,0,0,0,0|0,0,0]=2 3275 B10R1.61 c1ccc(c(c1)C(=O)N)Cl TS41556 [0,2,0,0,0,0|0,0,0]=2 3276 B10R1.61 c1ccc(c(c1)C(=O)N)F TS37265 [0,2,0,0,0,0|0,0,0]=2 3277 B10R1.61 c1ccc(c(c1)C(=O)N)I TS62383 [0,2,0,0,0,0|0,0,0]=2 3278 B10R1.61 c1ccc(c(c1)C(=O)N)N TS06064 [0,2,0,0,0,0|0,0,0]=2 3279 B10R1.61 c1ccc(c(c1)C(=O)N)O TS37091 [0,2,0,0,0,0|0,0,0]=2 3280 B10R1.61 c1ccc(c(c1)C(=O)O)Br TS55155 [0,2,0,0,0,0|0,0,0]=2 3281 B10R1.61 c1ccc(c(c1)C(=O)O)Cl TS00073 [0,2,0,0,0,0|0,0,0]=2 3282 B10R1.61 c1ccc(c(c1)C(=O)O)I TS01784 [0,2,0,0,0,0|0,0,0]=2 3283 B10R1.61 c1ccc(c(c1)C(=O)O)N TS37101 [0,2,0,0,0,0|0,0,0]=2 3284 B10R1.61 c1ccc(c(c1)C(=O)O)O TS06230 [0,2,0,0,0,0|0,0,0]=2 3285 B10R1.61 c1ccc(c(c1)C(=O)O)O TS21137 [0,2,0,0,0,0|0,0,0]=2 3286 B10R1.61 c1ccc(c(c1)C(=O)O)O TS35051 [0,2,0,0,0,0|0,0,0]=2 3287 B10R1.61 c1ccc(c(c1)C(=O)O)S TS39677 [0,2,0,0,0,0|0,0,0]=2 3288 B10R1.61 c1ccc(c(c1)C(=O)[O-])F TS11489 [0,2,0,0,0,0|0,0,0]=2 3289 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS11099 [0,2,0,0,0,0|0,0,0]=2 3290 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS58695 [0,2,0,0,0,0|0,0,0]=2 3291 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS06906 [0,2,0,0,0,0|0,0,0]=2 3292 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS41498 [0,2,0,0,0,0|0,0,0]=2 3293 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS42111 [0,2,0,0,0,0|0,0,0]=2 3294 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS46100 [0,2,0,0,0,0|0,0,0]=2 3295 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS62094 [0,2,0,0,0,0|0,0,0]=2 3296 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS66456 [0,2,0,0,0,0|0,0,0]=2 3297 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS76682 [0,2,0,0,0,0|0,0,0]=2 3298 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS80592 [0,2,0,0,0,0|0,0,0]=2 3299 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS81548 [0,2,0,0,0,0|0,0,0]=2 3300 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS82956 [0,2,0,0,0,0|0,0,0]=2 3301 B10R1.61 c1ccc(c(c1)C(=O)[O-])S TS46069 [0,2,0,0,0,0|0,0,0]=2 3302 B10R1.61 c1ccc(c(c1)C(=S)N)Br TS21981 [0,2,0,0,0,0|0,1,0]=3 3303 B10R1.61 c1ccc(c(c1)C(=S)N)Cl TS45393 [0,2,0,0,0,0|0,1,0]=3 3304 B10R1.61 c1ccc(c(c1)C(=S)N)F TS41513 [0,2,0,0,0,0|0,1,0]=3 3305 B10R1.61 c1ccc(c(c1)C(=S)N)N TS41176 [0,2,0,0,0,0|0,1,0]=3 3306 B10R1.61 c1ccc(c(c1)C(=S)N)O TS41285 [0,2,0,0,0,0|0,1,0]=3 3307 B10R1.61 c1ccc(c(c1)C(Cl)Cl)F TS47662 [0,2,0,0,0,0|1,0,1]=4 3308 B10R1.61 c1ccc(c(c1)C(F)F)Br TS59895 [0,2,0,0,0,0|1,0,1]=4 3309 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS37160 [0,2,0,0,0,0|1,0,0]=3 3310 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS45867 [0,2,0,0,0,0|1,0,0]=3 3311 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br TS46919 [0,2,0,0,0,0|1,0,0]=3 3312 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl TS41833 [0,2,0,0,0,0|1,0,0]=3 3313 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F TS01030 [0,2,0,0,0,0|1,0,0]=3 3314 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I TS46971 [0,2,0,0,0,0|1,0,0]=3 3315 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS09395 [0,2,0,0,0,0|1,0,0]=3 3316 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS42253 [0,2,0,0,0,0|1,0,0]=3 3317 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])S TS09401 [0,2,0,0,0,0|1,0,0]=3 3318 B10R1.61 c1cnc(c(n1)C(=O)N)O TS60014 [0,2,0,0,0,0|2,0,0]=4 3319 B10R1.61 c1cnc(c(n1)C(=O)O)Cl TS66008 [0,2,0,0,0,0|2,0,0]=4 3320 B10R1.61 c1cnc(c(n1)C(=O)O)N TS37261 [0,2,0,0,0,0|2,0,0]=4 3321 B10R1.61 c1cnc(c(n1)C(=O)O)O TS16634 [0,2,0,0,0,0|2,0,0]=4 3322 B10R1.61 c1cncc(c1Br)C(=O)O TS70996 [0,2,0,0,0,0|1,0,0]=3 3323 B10R1.61 c1cncc(c1Br)[N+](=O)[O-] TS70979 [0,2,0,0,0,0|2,0,0]=4 3324 B10R1.61 c1cncc(c1C(=O)N)Br TS65950 [0,2,0,0,0,0|1,0,0]=3 3325 B10R1.61 c1cncc(c1C(=O)O)Br TS75153 [0,2,0,0,0,0|1,0,0]=3 3326 B10R1.61 c1cncc(c1C(=O)O)Br TS85456 [0,2,0,0,0,0|1,0,0]=3 3327 B10R1.61 c1cncc(c1C(=O)O)Cl TS02717 [0,2,0,0,0,0|1,0,0]=3 3328 B10R1.61 c1cncc(c1C(=O)O)F TS70583 [0,2,0,0,0,0|1,0,0]=3 3329 B10R1.61 c1cncc(c1C(=O)O)I TS70630 [0,2,0,0,0,0|1,0,0]=3 3330 B10R1.61 c1cncc(c1C(=O)O)N TS06238 [0,2,0,0,0,0|1,0,0]=3 3331 B10R1.61 c1cncc(c1C(=O)O)N TS85384 [0,2,0,0,0,0|1,0,0]=3 3332 B10R1.61 c1cncc(c1C(=O)O)N TS87274 [0,2,0,0,0,0|1,0,0]=3 3333 B10R1.61 c1cncc(c1C(=O)O)O TS02801 [0,2,0,0,0,0|1,0,0]=3 3334 B10R1.61 c1cncc(c1Cl)C(=O)O TS09676 [0,2,0,0,0,0|1,0,0]=3 3335 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] TS09651 [0,2,0,0,0,0|2,0,0]=4 3336 B10R1.61 c1cncc(c1Cl)[N+](=O)[O-] TS09652 [0,2,0,0,0,0|2,0,0]=4 3337 B10R1.61 c1cncc(c1F)C(=O)O TS71139 [0,2,0,0,0,0|1,0,0]=3 3338 B10R1.61 c1cncc(c1F)[N+](=O)[O-] TS60405 [0,2,0,0,0,0|2,0,0]=4 3339 B10R1.61 c1cncc(c1N)C(=O)N TS70898 [0,2,0,0,0,0|1,0,0]=3 3340 B10R1.61 c1cncc(c1N)C(=O)O TS37157 [0,2,0,0,0,0|1,0,0]=3 3341 B10R1.61 c1cncc(c1N)C(=O)O TS85415 [0,2,0,0,0,0|1,0,0]=3 3342 B10R1.61 c1cncc(c1N)[N+](=O)[O-] TS70897 [0,2,0,0,0,0|2,0,0]=4 3343 B10R1.61 c1cncc(c1O)C(=O)O TS03130 [0,2,0,0,0,0|1,0,0]=3 3344 B10R1.61 c1cncc(c1O)[N+](=O)[O-] TS86034 [0,2,0,0,0,0|2,0,0]=4 3345 B10R1.61 c1cncc(c1[N+](=O)[O-])Br TS09463 [0,2,0,0,0,0|2,0,0]=4 3346 B10R1.61 c1cncc(c1[N+](=O)[O-])Cl TS65989 [0,2,0,0,0,0|2,0,0]=4 3347 B10R1.61 c1cncc(c1[N+](=O)[O-])F TS02766 [0,2,0,0,0,0|2,0,0]=4 3348 B10R1.61 c1cncc(c1[N+](=O)[O-])I TS27980 [0,2,0,0,0,0|2,0,0]=4 3349 B10R1.61 c1cncc(c1[N+](=O)[O-])N TS71262 [0,2,0,0,0,0|2,0,0]=4 3350 B10R1.61 c1cncc(c1[N+](=O)[O-])O TS06414 [0,2,0,0,0,0|2,0,0]=4 3351 B10R1.61 c1cnnc(c1C(=O)O)N TS02642 [0,2,0,0,0,0|2,0,0]=4 3352 B10R1.61 c1cnnc(c1N)C(=O)O TS32795 [0,2,0,0,0,0|2,0,0]=4 3353 B10R1.4 C=CCc1ccccc1Cl TS41221 [0,2,0,0,0,0|1,0,0]=3 3354 B10R1.4 C=CCc1ccccc1O TS36846 [0,2,0,0,0,0|1,0,0]=3 3355 B10R1.4 C=CCn1ccccc1=O TS36913 [0,2,0,0,0,0|2,0,0]=4 3356 B10R1.4 CC=Cc1ccccc1O TS36834 [0,2,0,0,0,0|1,0,0]=3 3357 B10R1.4 CCCc1ccccc1C TS05927 [0,2,0,0,0,0|1,0,1]=4 3358 B10R1.4 CCCc1ccccc1N TS36961 [0,2,0,0,0,0|1,0,1]=4 3359 B10R1.4 CCCc1ccccc1O TS06077 [0,2,0,0,0,0|1,0,1]=4 3360 B10R1.4 CCNc1ccccc1C TS06011 [0,2,0,0,0,0|1,0,1]=4 3361 B10R1.4 CCNc1ccccc1F TS37294 [0,2,0,0,0,0|1,0,1]=4 3362 B10R1.4 CCOc1ccccc1Br TS39657 [0,2,0,0,0,0|1,0,1]=4 3363 B10R1.4 CCOc1ccccc1Cl TS41727 [0,2,0,0,0,0|1,0,1]=4 3364 B10R1.4 CCOc1ccccc1F TS37374 [0,2,0,0,0,0|1,0,1]=4 3365 B10R1.4 CCOc1ccccc1N TS37118 [0,2,0,0,0,0|1,0,1]=4 3366 B10R1.4 CCOc1ccccc1N TS45700 [0,2,0,0,0,0|1,0,1]=4 3367 B10R1.4 CCOc1ccccc1O TS06253 [0,2,0,0,0,0|1,0,1]=4 3368 B10R1.4 CCOc1ccccc1S TS41408 [0,2,0,0,0,0|1,0,1]=4 3369 B10R1.4 CCSc1ccccc1Br TS49221 [0,2,0,0,0,0|1,0,1]=4 3370 B10R1.4 CCSc1ccccc1O TS41412 [0,2,0,0,0,0|1,0,1]=4 3371 B10R1.4 CNCc1ccccc1Cl TS56333 [0,2,0,0,0,0|1,0,1]=4 3372 B10R1.4 CNCc1ccccc1O TS45699 [0,2,0,0,0,0|1,0,1]=4 3373 B10R1.4 COCc1ccccc1F TS37369 [0,2,0,0,0,0|0,0,2]=4 3374 B10R1.4 C[n+]1ccccc1C=NO TS45570 [0,2,0,0,0,0|1,0,1]=4 3375 B10R1.4 C[n+]1ccccc1C=NO TS68776 [0,2,0,0,0,0|1,0,1]=4 3376 B10R1.4 Cc1ccccc1CC#N TS05669 [0,2,0,0,0,0|1,0,1]=4 3377 B10R1.4 Cc1ccccc1CC=C TS05766 [0,2,0,0,0,0|1,0,0]=3 3378 B10R1.4 Cc1ccccc1CCBr TS54167 [0,2,0,0,0,0|1,0,1]=4 3379 B10R1.4 Cc1ccccc1CCO TS37017 [0,2,0,0,0,0|0,0,2]=4 3380 B10R1.4 Cc1ccccc1CNC TS36965 [0,2,0,0,0,0|1,0,1]=4 3381 B10R1.4 Cc1ccccc1N=C=O TS16709 [0,2,0,0,0,0|0,0,1]=3 3382 B10R1.4 Cc1ccccc1N=C=S TS40763 [0,2,0,0,0,0|0,1,1]=4 3383 B10R1.4 Cc1ccccc1NC=O TS36923 [0,2,0,0,0,0|0,0,0]=2 3384 B10R1.4 [C-]#[N+]Cc1ccccc1Cl TS41069 [0,2,0,0,0,0|1,0,1]=4 3385 B10R1.4 c1cc(c(nc1)N)C=NO TS13415 [0,2,0,0,0,0|1,0,1]=4 3386 B10R1.4 c1ccc(c(c1)C=NN)O TS06061 [0,2,0,0,0,0|1,0,0]=3 3387 B10R1.4 c1ccc(c(c1)C=NO)Br TS18942 [0,2,0,0,0,0|0,0,1]=3 3388 B10R1.4 c1ccc(c(c1)C=NO)Cl TS10612 [0,2,0,0,0,0|0,0,1]=3 3389 B10R1.4 c1ccc(c(c1)C=NO)F TS37272 [0,2,0,0,0,0|0,0,1]=3 3390 B10R1.4 c1ccc(c(c1)C=NO)O TS06160 [0,2,0,0,0,0|0,0,1]=3 3391 B10R1.4 c1ccc(c(c1)CC#N)Br TS00857 [0,2,0,0,0,0|1,0,1]=4 3392 B10R1.4 c1ccc(c(c1)CC#N)Cl TS02146 [0,2,0,0,0,0|1,0,1]=4 3393 B10R1.4 c1ccc(c(c1)CC#N)F TS65431 [0,2,0,0,0,0|1,0,1]=4 3394 B10R1.4 c1ccc(c(c1)CC#N)I TS01084 [0,2,0,0,0,0|1,0,1]=4 3395 B10R1.4 c1ccc(c(c1)CC#N)N TS47469 [0,2,0,0,0,0|1,0,1]=4 3396 B10R1.4 c1ccc(c(c1)CCBr)Cl TS55287 [0,2,0,0,0,0|1,0,1]=4 3397 B10R1.4 c1ccc(c(c1)CCBr)F TS01032 [0,2,0,0,0,0|1,0,1]=4 3398 B10R1.4 c1ccc(c(c1)CCN)Br TS37849 [0,2,0,0,0,0|1,0,1]=4 3399 B10R1.4 c1ccc(c(c1)CCN)Cl TS10628 [0,2,0,0,0,0|1,0,1]=4 3400 B10R1.4 c1ccc(c(c1)CCN)F TS37288 [0,2,0,0,0,0|1,0,1]=4 3401 B10R1.4 c1ccc(c(c1)CCN)F TS37293 [0,2,0,0,0,0|1,0,1]=4 3402 B10R1.4 c1ccc(c(c1)CCN)N TS06107 [0,2,0,0,0,0|1,0,1]=4 3403 B10R1.4 c1ccc(c(c1)CCN)O TS37108 [0,2,0,0,0,0|1,0,1]=4 3404 B10R1.4 c1ccc(c(c1)CCO)Br TS38054 [0,2,0,0,0,0|0,0,2]=4 3405 B10R1.4 c1ccc(c(c1)CCO)Cl TS41724 [0,2,0,0,0,0|0,0,2]=4 3406 B10R1.4 c1ccc(c(c1)CCO)F TS37364 [0,2,0,0,0,0|0,0,2]=4 3407 B10R1.4 c1ccc(c(c1)CCO)N TS37117 [0,2,0,0,0,0|0,0,2]=4 3408 B10R1.4 c1ccc(c(c1)CCO)O TS55402 [0,2,0,0,0,0|0,0,2]=4 3409 B10R1.4 c1ccc(c(c1)CNN)Br TS89985 [0,2,0,0,0,0|1,0,1]=4 3410 B10R1.4 c1ccc(c(c1)CNN)Cl TS90343 [0,2,0,0,0,0|1,0,1]=4 3411 B10R1.4 c1ccc(c(c1)CNN)F TS88873 [0,2,0,0,0,0|1,0,1]=4 3412 B10R1.4 c1ccc(c(c1)CNN)F TS94875 [0,2,0,0,0,0|1,0,1]=4 3413 B10R1.4 c1ccc(c(c1)CON)F TS93890 [0,2,0,0,0,0|0,0,2]=4 3414 B10R1.4 c1ccc(c(c1)CON)I TS94168 [0,2,0,0,0,0|0,0,2]=4 3415 B10R1.4 c1ccc(c(c1)CO[NH3+])Br TS26271 [0,2,0,0,0,0|0,0,2]=4 3416 B10R1.4 c1ccc(c(c1)CO[NH3+])Cl TS17764 [0,2,0,0,0,0|0,0,2]=4 3417 B10R1.4 c1ccc(c(c1)N=C=O)Br TS53946 [0,2,0,0,0,0|0,0,1]=3 3418 B10R1.4 c1ccc(c(c1)N=C=O)Cl TS10358 [0,2,0,0,0,0|0,0,1]=3 3419 B10R1.4 c1ccc(c(c1)N=C=O)F TS37082 [0,2,0,0,0,0|0,0,1]=3 3420 B10R1.4 c1ccc(c(c1)N=C=O)I TS62099 [0,2,0,0,0,0|0,0,1]=3 3421 B10R1.4 c1ccc(c(c1)N=C=S)Br TS44458 [0,2,0,0,0,0|0,1,1]=4 3422 B10R1.4 c1ccc(c(c1)N=C=S)Cl TS12736 [0,2,0,0,0,0|0,1,1]=4 3423 B10R1.4 c1ccc(c(c1)N=C=S)F TS41282 [0,2,0,0,0,0|0,1,1]=4 3424 B10R1.4 c1ccc(c(c1)NC=O)Cl TS10621 [0,2,0,0,0,0|0,0,0]=2 3425 B10R1.4 c1ccc(c(c1)NC=O)O TS37102 [0,2,0,0,0,0|0,0,0]=2 3426 B10R1.17 C#CCCc1ccccc1 TS36511 [0,2,0,0,0,0|1,0,1]=4 3427 B10R1.17 C#CCOc1ccccc1 TS36668 [0,2,0,0,0,0|1,0,1]=4 3428 B10R1.17 C#CCSc1ccccc1 TS07496 [0,2,0,0,0,0|1,0,1]=4 3429 B10R1.17 C=CC=Cc1ccccc1 TS36510 [0,2,0,0,0,0|1,0,0]=3 3430 B10R1.17 C=CCCc1ccccc1 TS36707 [0,2,0,0,0,0|1,0,0]=3 3431 B10R1.17 C=CCCc1ccncc1 TS36777 [0,2,0,0,0,0|2,0,0]=4 3432 B10R1.17 C=CCNc1ccccc1 TS05848 [0,2,0,0,0,0|1,0,0]=3 3433 B10R1.17 C=CCOc1ccccc1 TS36847 [0,2,0,0,0,0|1,0,0]=3 3434 B10R1.17 C=CCOc1ccccn1 TS36929 [0,2,0,0,0,0|2,0,0]=4 3435 B10R1.17 C=CCSc1ccccc1 TS40921 [0,2,0,0,0,0|1,0,0]=3 3436 B10R1.17 CC=CCc1ccccc1 TS36709 [0,2,0,0,0,0|1,0,0]=3 3437 B10R1.17 CCC#Cc1ccccc1 TS36516 [0,2,0,0,0,0|1,0,1]=4 3438 B10R1.17 CCC=Cc1ccccc1 TS36700 [0,2,0,0,0,0|1,0,0]=3 3439 B10R1.17 CCCCc1ccccc1 TS36870 [0,2,0,0,0,0|1,0,1]=4 3440 B10R1.17 CCCNc1ccccc1 TS36942 [0,2,0,0,0,0|1,0,1]=4 3441 B10R1.17 CCCOc1ccccc1 TS37010 [0,2,0,0,0,0|1,0,1]=4 3442 B10R1.17 CCCSc1ccccc1 TS41194 [0,2,0,0,0,0|1,0,1]=4 3443 B10R1.17 CCN=Cc1ccccc1 TS05847 [0,2,0,0,0,0|1,0,0]=3 3444 B10R1.17 CCNCc1ccccc1 TS06015 [0,2,0,0,0,0|1,0,1]=4 3445 B10R1.17 CCOCc1ccccc1 TS37009 [0,2,0,0,0,0|0,0,2]=4 3446 B10R1.17 CCSCc1ccccc1 TS41200 [0,2,0,0,0,0|0,1,1]=4 3447 B10R1.17 CNCCc1ccccc1 TS01606 [0,2,0,0,0,0|1,0,1]=4 3448 B10R1.17 COC=Cc1ccccc1 TS36842 [0,2,0,0,0,0|0,0,1]=3 3449 B10R1.17 COC=Nc1ccccc1 TS36922 [0,2,0,0,0,0|0,0,1]=3 3450 B10R1.17 COCCc1ccccc1 TS06081 [0,2,0,0,0,0|0,0,2]=4 3451 B10R1.17 COCOc1ccccc1 TS06260 [0,2,0,0,0,0|0,0,2]=4 3452 B10R1.17 COCSc1ccccc1 TS10468 [0,2,0,0,0,0|0,0,2]=4 3453 B10R1.17 CSCOc1ccccc1 TS10467 [0,2,0,0,0,0|0,1,1]=4 3454 B10R1.17 CSSCc1ccccc1 TS12900 [0,2,0,0,0,0|0,1,1]=4 3455 B10R1.17 [C-]#[N+]CCc1ccccc1 TS05666 [0,2,0,0,0,0|1,0,1]=4 3456 B10R1.17 c1cc(cnc1)C=CC=O TS36746 [0,2,0,0,0,0|1,0,0]=3 3457 B10R1.17 c1cc(cnc1)C=CCCl TS12428 [0,2,0,0,0,0|2,0,0]=4 3458 B10R1.17 c1ccc(cc1)C#CC=O TS05539 [0,2,0,0,0,0|0,0,0]=2 3459 B10R1.17 c1ccc(cc1)C#CCCl TS09975 [0,2,0,0,0,0|1,0,1]=4 3460 B10R1.17 c1ccc(cc1)C#CCN TS05672 [0,2,0,0,0,0|1,0,1]=4 3461 B10R1.17 c1ccc(cc1)C#CCO TS36664 [0,2,0,0,0,0|0,0,2]=4 3462 B10R1.17 c1ccc(cc1)C#C[Mg]Br TS38873 [0,2,0,0,0,0|1,0,1]=4 3463 B10R1.17 c1ccc(cc1)C=CC#N TS05462 [0,2,0,0,0,0|1,0,0]=3 3464 B10R1.17 c1ccc(cc1)C=CC=O TS39725 [0,2,0,0,0,0|0,0,0]=2 3465 B10R1.17 c1ccc(cc1)C=CCBr TS53806 [0,2,0,0,0,0|1,0,0]=3 3466 B10R1.17 c1ccc(cc1)C=CCCl TS41222 [0,2,0,0,0,0|1,0,0]=3 3467 B10R1.17 c1ccc(cc1)C=CCO TS36831 [0,2,0,0,0,0|0,0,1]=3 3468 B10R1.17 c1ccc(cc1)CCC#N TS56176 [0,2,0,0,0,0|1,0,1]=4 3469 B10R1.17 c1ccc(cc1)CCC=O TS01796 [0,2,0,0,0,0|0,0,0]=2 3470 B10R1.17 c1ccc(cc1)CCCCl TS41470 [0,2,0,0,0,0|1,0,1]=4 3471 B10R1.17 c1ccc(cc1)CCCN TS36954 [0,2,0,0,0,0|1,0,1]=4 3472 B10R1.17 c1ccc(cc1)CCCO TS37013 [0,2,0,0,0,0|0,0,2]=4 3473 B10R1.17 c1ccc(cc1)CCCS TS41196 [0,2,0,0,0,0|0,1,1]=4 3474 B10R1.17 c1ccc(cc1)CCNN TS06106 [0,2,0,0,0,0|1,0,1]=4 3475 B10R1.17 c1ccc(cc1)CN=C=O TS36745 [0,2,0,0,0,0|0,0,1]=3 3476 B10R1.17 c1ccc(cc1)CN=C=S TS40764 [0,2,0,0,0,0|0,1,1]=4 3477 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] TS36764 [0,2,0,0,0,0|1,0,1]=4 3478 B10R1.17 c1ccc(cc1)CNC=O TS36937 [0,2,0,0,0,0|0,0,0]=2 3479 B10R1.17 c1ccc(cc1)COC=O TS36984 [0,2,0,0,0,0|0,0,0]=2 3480 B10R1.17 c1ccc(cc1)COCCl TS39818 [0,2,0,0,0,0|0,0,2]=4 3481 B10R1.17 c1ccc(cc1)CSC#N TS07591 [0,2,0,0,0,0|0,1,1]=4 3482 B10R1.17 c1ccc(cc1)CSCBr TS22173 [0,2,0,0,0,0|0,1,1]=4 3483 B10R1.17 c1ccc(cc1)CSCCl TS13275 [0,2,0,0,0,0|0,1,1]=4 3484 B10R1.17 c1ccc(cc1)C[Se]C#N TS53598 [0,2,0,0,0,0|0,1,1]=4 3485 B10R1.17 c1ccc(cc1)NCCN TS37036 [0,2,0,0,0,0|1,0,1]=4 3486 B10R1.17 c1ccc(cc1)NCCO TS37110 [0,2,0,0,0,0|0,0,2]=4 3487 B10R1.17 c1ccc(cc1)NNC=O TS06048 [0,2,0,0,0,0|0,0,0]=2 3488 B10R1.17 c1ccc(cc1)OCC=O TS36991 [0,2,0,0,0,0|0,0,0]=2 3489 B10R1.17 c1ccc(cc1)OCCBr TS55768 [0,2,0,0,0,0|1,0,1]=4 3490 B10R1.17 c1ccc(cc1)OCCCl TS10798 [0,2,0,0,0,0|1,0,1]=4 3491 B10R1.17 c1ccc(cc1)OCCN TS65630 [0,2,0,0,0,0|1,0,1]=4 3492 B10R1.17 c1ccc(cc1)OCCO TS06243 [0,2,0,0,0,0|0,0,2]=4 3493 B10R1.17 c1ccc(cc1)SCC#N TS40766 [0,2,0,0,0,0|1,0,1]=4 3494 B10R1.17 c1ccc(cc1)SCCBr TS49223 [0,2,0,0,0,0|1,0,1]=4 3495 B10R1.17 c1ccc(cc1)SCCCl TS13277 [0,2,0,0,0,0|1,0,1]=4 3496 B10R1.17 c1ccc(cc1)SCCO TS10471 [0,2,0,0,0,0|0,0,2]=4 3497 B10R1.18 B(Cc1ccccc1)(O)O TS01380 [0,2,0,0,0,0|0,0,2]=4 3498 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [0,2,0,0,0,0|1,0,0]=3 3499 B10R1.18 CC(=Cc1ccccc1)C TS36699 [0,2,0,0,0,0|1,0,0]=3 3500 B10R1.18 CC(=O)C[n+]1ccccc1 TS21976 [0,2,0,0,0,0|1,0,0]=3 3501 B10R1.18 CC(=O)C[n+]1ccccc1 TS45387 [0,2,0,0,0,0|1,0,0]=3 3502 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [0,2,0,0,0,0|0,0,0]=2 3503 B10R1.18 CC(=O)Cc1ccccn1 TS47028 [0,2,0,0,0,0|1,0,0]=3 3504 B10R1.18 CC(=O)Cc1cccnc1 TS36918 [0,2,0,0,0,0|1,0,0]=3 3505 B10R1.18 CC(=O)Cc1cccnc1 TS45385 [0,2,0,0,0,0|1,0,0]=3 3506 B10R1.18 CC(=O)Cc1ccncc1 TS29470 [0,2,0,0,0,0|1,0,0]=3 3507 B10R1.18 CC(=O)Nc1ccccc1 TS36935 [0,2,0,0,0,0|0,0,0]=2 3508 B10R1.18 CC(=O)Nc1ccccn1 TS36993 [0,2,0,0,0,0|1,0,0]=3 3509 B10R1.18 CC(=O)Nc1cccnc1 TS06049 [0,2,0,0,0,0|1,0,0]=3 3510 B10R1.18 CC(=O)Nc1ccncc1 TS65112 [0,2,0,0,0,0|1,0,0]=3 3511 B10R1.18 CC(=O)Oc1cccnc1 TS06165 [0,2,0,0,0,0|1,0,0]=3 3512 B10R1.18 CC(=O)Sc1ccccc1 TS41167 [0,2,0,0,0,0|0,0,0]=2 3513 B10R1.18 CC(=S)Nc1ccccc1 TS10093 [0,2,0,0,0,0|0,1,0]=3 3514 B10R1.18 CC(C)Cc1ccccc1 TS74509 [0,2,0,0,0,0|1,0,1]=4 3515 B10R1.18 CC(C)Nc1ccccc1 TS56404 [0,2,0,0,0,0|1,0,1]=4 3516 B10R1.18 CC(C)Sc1ccccc1 TS41201 [0,2,0,0,0,0|1,0,1]=4 3517 B10R1.18 CC(Cc1ccccc1)Br TS55076 [0,2,0,0,0,0|1,0,1]=4 3518 B10R1.18 CC(Cc1ccccc1)N TS06010 [0,2,0,0,0,0|1,0,1]=4 3519 B10R1.18 CC(Cc1ccccc1)O TS47018 [0,2,0,0,0,0|0,0,2]=4 3520 B10R1.18 CN(C)Cc1ccccc1 TS06009 [0,2,0,0,0,0|1,0,1]=4 3521 B10R1.18 CN(C)Cc1ccccc1 TS45394 [0,2,0,0,0,0|1,0,1]=4 3522 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [0,2,0,0,0,0|0,0,1]=3 3523 B10R1.18 C[C@@H](Cc1ccccc1)N TS36940 [0,2,0,0,0,0|1,0,1]=4 3524 B10R1.18 C[C@@H](Cc1ccccc1)N TS66757 [0,2,0,0,0,0|1,0,1]=4 3525 B10R1.18 C[SiH](C)Cc1ccccc1 TS40934 [0,2,0,0,0,0|1,0,1]=4 3526 B10R1.18 c1c(cncn1)CC(=O)O TS37158 [0,2,0,0,0,0|2,0,0]=4 3527 B10R1.18 c1cc(cnc1)CC(=O)O TS94291 [0,2,0,0,0,0|1,0,0]=3 3528 B10R1.18 c1cc(cnc1)CC(=O)O TS94292 [0,2,0,0,0,0|1,0,0]=3 3529 B10R1.18 c1cc(cnc1)NC(=S)N TS59320 [0,2,0,0,0,0|1,1,0]=4 3530 B10R1.18 c1cc(nnc1)CC(=O)O TS86714 [0,2,0,0,0,0|2,0,0]=4 3531 B10R1.18 c1cc[n+](cc1)CC(=O)N TS45571 [0,2,0,0,0,0|1,0,0]=3 3532 B10R1.18 c1cc[n+](cc1)CC(=O)O TS13410 [0,2,0,0,0,0|1,0,0]=3 3533 B10R1.18 c1ccc(cc1)CC(=O)Cl TS59338 [0,2,0,0,0,0|0,0,0]=2 3534 B10R1.18 c1ccc(cc1)CC(=O)N TS36936 [0,2,0,0,0,0|0,0,0]=2 3535 B10R1.18 c1ccc(cc1)CC(=O)O TS06169 [0,2,0,0,0,0|0,0,0]=2 3536 B10R1.18 c1ccc(cc1)CC(=O)O TS37162 [0,2,0,0,0,0|0,0,0]=2 3537 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS41860 [0,2,0,0,0,0|0,0,0]=2 3538 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS45813 [0,2,0,0,0,0|0,0,0]=2 3539 B10R1.18 c1ccc(cc1)CC(=S)N TS41053 [0,2,0,0,0,0|0,1,0]=3 3540 B10R1.18 c1ccc(cc1)N=C(N)N TS53990 [0,2,0,0,0,0|1,0,0]=3 3541 B10R1.18 c1ccc(cc1)NC(=N)N TS53844 [0,2,0,0,0,0|1,0,0]=3 3542 B10R1.18 c1ccc(cc1)NC(=O)F TS37274 [0,2,0,0,0,0|0,0,0]=2 3543 B10R1.18 c1ccc(cc1)NC(=O)N TS06065 [0,2,0,0,0,0|0,0,0]=2 3544 B10R1.18 c1ccc(cc1)NC(=S)N TS41175 [0,2,0,0,0,0|0,1,0]=3 3545 B10R1.18 c1ccc(cc1)OC(=O)Cl TS10789 [0,2,0,0,0,0|0,0,0]=2 3546 B10R1.18 c1ccc(cc1)OC(=O)N TS06164 [0,2,0,0,0,0|0,0,0]=2 3547 B10R1.18 c1ccc(cc1)OC(=S)Cl TS45574 [0,2,0,0,0,0|0,1,0]=3 3548 B10R1.18 c1ccc(cc1)OC(=S)Cl TS45577 [0,2,0,0,0,0|0,1,0]=3 3549 B10R1.18 c1ccc(cc1)OC(F)F TS06920 [0,2,0,0,0,0|1,0,1]=4 3550 B10R1.18 c1ccc(cc1)OP(Cl)Cl TS17988 [0,2,0,0,0,0|2,0,0]=4 3551 B10R1.18 c1ccc(cc1)SC(=S)Cl TS16100 [0,2,0,0,0,0|0,1,0]=3 3552 B10R1.18 c1ccc(cc1)[SiH2]C(Cl)Cl TS17240 [0,2,0,0,0,0|1,0,1]=4 3553 B10R1.18 c1ccnc(c1)CC(=O)N TS06050 [0,2,0,0,0,0|1,0,0]=3 3554 B10R1.18 c1ccnc(c1)CC(=O)O TS02474 [0,2,0,0,0,0|1,0,0]=3 3555 B10R1.18 c1ccnc(c1)NC(=O)N TS06170 [0,2,0,0,0,0|1,0,0]=3 3556 B10R1.18 c1cnc(cn1)CC(=O)O TS02465 [0,2,0,0,0,0|2,0,0]=4 3557 B10R1.18 c1cnc(nc1)CC(=O)O TS02476 [0,2,0,0,0,0|2,0,0]=4 3558 B10R1.18 c1cnccc1CC(=O)N TS36994 [0,2,0,0,0,0|1,0,0]=3 3559 B10R1.18 c1cnccc1CC(=S)Cl TS45391 [0,2,0,0,0,0|1,1,0]=4 3560 B10R1.18 c1cnccc1CC(=S)O TS20061 [0,2,0,0,0,0|1,0,1]=4 3561 B10R1.18 c1cnccc1NC(=S)N TS41286 [0,2,0,0,0,0|1,1,0]=4 3562 B10R1.18 c1cncnc1CC(=O)O TS88488 [0,2,0,0,0,0|2,0,0]=4 3563 B10R1.18 c1cnncc1CC(=O)O TS90855 [0,2,0,0,0,0|2,0,0]=4 3564 B10R1.20 C#Cc1ccccc1C=O TS36474 [0,2,0,0,0,0|0,0,0]=2 3565 B10R1.20 C=Cc1ccccc1C=C TS36515 [0,2,0,0,0,0|1,0,0]=3 3566 B10R1.20 CCc1ccccc1C#N TS59966 [0,2,0,0,0,0|1,0,1]=4 3567 B10R1.20 CCc1ccccc1C=O TS36837 [0,2,0,0,0,0|0,0,0]=2 3568 B10R1.20 CCc1ccccc1CC TS36854 [0,2,0,0,0,0|1,0,1]=4 3569 B10R1.20 CCc1ccccc1NN TS59967 [0,2,0,0,0,0|1,0,1]=4 3570 B10R1.20 CCc1ccccc1OC TS06091 [0,2,0,0,0,0|1,0,1]=4 3571 B10R1.20 CNc1c(cccn1)C=O TS06056 [0,2,0,0,0,0|1,0,0]=3 3572 B10R1.20 CNc1ccccc1OC TS06193 [0,2,0,0,0,0|2,0,0]=4 3573 B10R1.20 COc1c(cccn1)C=O TS55430 [0,2,0,0,0,0|1,0,0]=3 3574 B10R1.20 COc1ccccc1C#C TS55428 [0,2,0,0,0,0|1,0,1]=4 3575 B10R1.20 COc1ccccc1C#N TS02018 [0,2,0,0,0,0|1,0,1]=4 3576 B10R1.20 COc1ccccc1C=C TS36839 [0,2,0,0,0,0|1,0,0]=3 3577 B10R1.20 COc1ccccc1C=O TS00088 [0,2,0,0,0,0|0,0,0]=2 3578 B10R1.20 COc1ccccc1CBr TS46746 [0,2,0,0,0,0|1,0,1]=4 3579 B10R1.20 COc1ccccc1CCl TS01104 [0,2,0,0,0,0|1,0,1]=4 3580 B10R1.20 COc1ccccc1CN TS01103 [0,2,0,0,0,0|1,0,1]=4 3581 B10R1.20 COc1ccccc1CO TS06248 [0,2,0,0,0,0|0,0,2]=4 3582 B10R1.20 COc1ccccc1NN TS46513 [0,2,0,0,0,0|2,0,0]=4 3583 B10R1.20 COc1ccccc1OC TS07876 [0,2,0,0,0,0|2,0,0]=4 3584 B10R1.20 COc1ccccc1SC TS55437 [0,2,0,0,0,0|2,0,0]=4 3585 B10R1.20 COc1ccccc1[Mg]Br TS44048 [0,2,0,0,0,0|2,0,0]=4 3586 B10R1.20 COc1cccnc1C=O TS06166 [0,2,0,0,0,0|1,0,0]=3 3587 B10R1.20 COc1ccncc1C=O TS09135 [0,2,0,0,0,0|1,0,0]=3 3588 B10R1.20 COc1cnccc1C=O TS06158 [0,2,0,0,0,0|1,0,0]=3 3589 B10R1.20 CSc1ccccc1C#N TS40767 [0,2,0,0,0,0|1,0,1]=4 3590 B10R1.20 CSc1ccccc1CN TS10344 [0,2,0,0,0,0|1,0,1]=4 3591 B10R1.20 CSc1ccccc1CO TS41405 [0,2,0,0,0,0|0,0,2]=4 3592 B10R1.20 c1cc(c(nc1)C#N)C=O TS39304 [0,2,0,0,0,0|1,0,0]=3 3593 B10R1.20 c1cc(c(nc1)CN)C=O TS06068 [0,2,0,0,0,0|1,0,0]=3 3594 B10R1.20 c1ccc(c(c1)C#N)C#N TS05321 [0,2,0,0,0,0|1,0,1]=4 3595 B10R1.20 c1ccc(c(c1)C=O)C#N TS55300 [0,2,0,0,0,0|0,0,0]=2 3596 B10R1.20 c1ccc(c(c1)C=O)C=O TS55742 [0,2,0,0,0,0|0,0,0]=2 3597 B10R1.20 c1ccc(c(c1)CBr)C#N TS59504 [0,2,0,0,0,0|1,0,1]=4 3598 B10R1.20 c1ccc(c(c1)CBr)C=O TS54151 [0,2,0,0,0,0|0,0,0]=2 3599 B10R1.20 c1ccc(c(c1)CBr)CBr TS46778 [0,2,0,0,0,0|1,0,1]=4 3600 B10R1.20 c1ccc(c(c1)CCl)C#N TS41067 [0,2,0,0,0,0|1,0,1]=4 3601 B10R1.20 c1ccc(c(c1)CCl)CCl TS13625 [0,2,0,0,0,0|1,0,1]=4 3602 B10R1.20 c1ccc(c(c1)CN)C#N TS55302 [0,2,0,0,0,0|1,0,1]=4 3603 B10R1.20 c1ccc(c(c1)CO)CO TS59881 [0,2,0,0,0,0|0,0,2]=4 3604 B10R1.20 c1ccc(c(c1)CS)CS TS12901 [0,2,0,0,0,0|0,1,1]=4 3605 B10R1.245 C=Cc1c(cccc1Cl)Cl TS13296 [0,2,0,0,0,0|1,0,0]=3 3606 B10R1.245 CCc1c(cccc1C)C TS36867 [0,2,0,0,0,0|1,0,1]=4 3607 B10R1.245 CNc1c(cccc1F)F TS93898 [0,2,0,0,0,0|2,0,0]=4 3608 B10R1.245 COc1c(cccc1Br)Br TS65354 [0,2,0,0,0,0|2,0,0]=4 3609 B10R1.245 COc1c(cccc1Br)F TS65034 [0,2,0,0,0,0|2,0,0]=4 3610 B10R1.245 COc1c(cccc1Cl)Cl TS13957 [0,2,0,0,0,0|2,0,0]=4 3611 B10R1.245 COc1c(cccc1Cl)F TS42231 [0,2,0,0,0,0|2,0,0]=4 3612 B10R1.245 COc1c(cccc1F)F TS09248 [0,2,0,0,0,0|2,0,0]=4 3613 B10R1.245 COc1c(cccc1F)N TS70568 [0,2,0,0,0,0|2,0,0]=4 3614 B10R1.245 COc1c(cccc1I)F TS65422 [0,2,0,0,0,0|2,0,0]=4 3615 B10R1.245 COc1c(cccc1O)O TS37340 [0,2,0,0,0,0|2,0,0]=4 3616 B10R1.245 C[n+]1cccc(c1C=O)O TS50820 [0,2,0,0,0,0|1,0,0]=3 3617 B10R1.245 Cc1cccc(c1C#N)C TS05674 [0,2,0,0,0,0|1,0,1]=4 3618 B10R1.245 Cc1cccc(c1C#N)F TS55368 [0,2,0,0,0,0|1,0,1]=4 3619 B10R1.245 Cc1cccc(c1C#N)N TS39260 [0,2,0,0,0,0|1,0,1]=4 3620 B10R1.245 Cc1cccc(c1C#N)O TS16697 [0,2,0,0,0,0|1,0,1]=4 3621 B10R1.245 Cc1cccc(c1C=C)C TS36710 [0,2,0,0,0,0|1,0,0]=3 3622 B10R1.245 Cc1cccc(c1C=O)C TS47323 [0,2,0,0,0,0|0,0,0]=2 3623 B10R1.245 Cc1cccc(c1C=O)Cl TS02145 [0,2,0,0,0,0|0,0,0]=2 3624 B10R1.245 Cc1cccc(c1CBr)C TS47325 [0,2,0,0,0,0|1,0,1]=4 3625 B10R1.245 Cc1cccc(c1CCl)C TS47326 [0,2,0,0,0,0|1,0,1]=4 3626 B10R1.245 Cc1cccc(c1CN)C TS36957 [0,2,0,0,0,0|1,0,1]=4 3627 B10R1.245 Cc1cccc(c1CO)C TS06075 [0,2,0,0,0,0|0,0,2]=4 3628 B10R1.245 Cc1cccc(c1NN)C TS13272 [0,2,0,0,0,0|2,0,0]=4 3629 B10R1.245 Cc1cccc(c1OC)C TS09255 [0,2,0,0,0,0|2,0,0]=4 3630 B10R1.245 Cc1cccc(c1SC)C TS41197 [0,2,0,0,0,0|2,0,0]=4 3631 B10R1.245 Cc1cccc(c1[N+]#[C-])C TS05670 [0,2,0,0,0,0|2,0,0]=4 3632 B10R1.245 Cc1ccnc(c1C=O)Cl TS10613 [0,2,0,0,0,0|1,0,0]=3 3633 B10R1.245 Cc1ccnc(c1C=O)F TS37275 [0,2,0,0,0,0|1,0,0]=3 3634 B10R1.245 Cc1cncc(c1C=O)Br TS18934 [0,2,0,0,0,0|1,0,0]=3 3635 B10R1.245 Cc1cncc(c1C=O)C TS36920 [0,2,0,0,0,0|1,0,0]=3 3636 B10R1.245 c1c(c(c(cn1)Br)C=O)Br TS68901 [0,2,0,0,0,0|1,0,0]=3 3637 B10R1.245 c1c(c(c(cn1)Cl)C=O)Cl TS65795 [0,2,0,0,0,0|1,0,0]=3 3638 B10R1.245 c1cc(c(c(c1)Br)C#N)F TS55358 [0,2,0,0,0,0|1,0,1]=4 3639 B10R1.245 c1cc(c(c(c1)Br)C=O)F TS55144 [0,2,0,0,0,0|0,0,0]=2 3640 B10R1.245 c1cc(c(c(c1)Br)C=O)N TS18935 [0,2,0,0,0,0|0,0,0]=2 3641 B10R1.245 c1cc(c(c(c1)Br)C=O)O TS08363 [0,2,0,0,0,0|0,0,0]=2 3642 B10R1.245 c1cc(c(c(c1)Br)CBr)Cl TS08815 [0,2,0,0,0,0|1,0,1]=4 3643 B10R1.245 c1cc(c(c(c1)Br)CBr)F TS30473 [0,2,0,0,0,0|1,0,1]=4 3644 B10R1.245 c1cc(c(c(c1)Br)CO)F TS19892 [0,2,0,0,0,0|0,0,2]=4 3645 B10R1.245 c1cc(c(c(c1)Cl)C#N)Cl TS13099 [0,2,0,0,0,0|1,0,1]=4 3646 B10R1.245 c1cc(c(c(c1)Cl)C#N)Cl TS93133 [0,2,0,0,0,0|1,0,1]=4 3647 B10R1.245 c1cc(c(c(c1)Cl)C#N)F TS65402 [0,2,0,0,0,0|1,0,1]=4 3648 B10R1.245 c1cc(c(c(c1)Cl)C#N)N TS41214 [0,2,0,0,0,0|1,0,1]=4 3649 B10R1.245 c1cc(c(c(c1)Cl)C#N)O TS87990 [0,2,0,0,0,0|1,0,1]=4 3650 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl TS47296 [0,2,0,0,0,0|0,0,0]=2 3651 B10R1.245 c1cc(c(c(c1)Cl)C=O)F TS55255 [0,2,0,0,0,0|0,0,0]=2 3652 B10R1.245 c1cc(c(c(c1)Cl)C=O)O TS55262 [0,2,0,0,0,0|0,0,0]=2 3653 B10R1.245 c1cc(c(c(c1)Cl)CBr)Cl TS65356 [0,2,0,0,0,0|1,0,1]=4 3654 B10R1.245 c1cc(c(c(c1)Cl)CBr)F TS65404 [0,2,0,0,0,0|1,0,1]=4 3655 B10R1.245 c1cc(c(c(c1)Cl)CCl)Cl TS52073 [0,2,0,0,0,0|1,0,1]=4 3656 B10R1.245 c1cc(c(c(c1)Cl)CCl)F TS47664 [0,2,0,0,0,0|1,0,1]=4 3657 B10R1.245 c1cc(c(c(c1)Cl)CN)Cl TS13766 [0,2,0,0,0,0|1,0,1]=4 3658 B10R1.245 c1cc(c(c(c1)Cl)CN)F TS11186 [0,2,0,0,0,0|1,0,1]=4 3659 B10R1.245 c1cc(c(c(c1)Cl)CO)Cl TS47300 [0,2,0,0,0,0|0,0,2]=4 3660 B10R1.245 c1cc(c(c(c1)Cl)CO)F TS65403 [0,2,0,0,0,0|0,0,2]=4 3661 B10R1.245 c1cc(c(c(c1)Cl)CS)F TS46193 [0,2,0,0,0,0|0,1,1]=4 3662 B10R1.245 c1cc(c(c(c1)Cl)NN)Cl TS59932 [0,2,0,0,0,0|2,0,0]=4 3663 B10R1.245 c1cc(c(c(c1)Cl)NN)F TS42241 [0,2,0,0,0,0|2,0,0]=4 3664 B10R1.245 c1cc(c(c(c1)F)C#N)F TS34652 [0,2,0,0,0,0|1,0,1]=4 3665 B10R1.245 c1cc(c(c(c1)F)C#N)N TS65370 [0,2,0,0,0,0|1,0,1]=4 3666 B10R1.245 c1cc(c(c(c1)F)C#N)O TS55363 [0,2,0,0,0,0|1,0,1]=4 3667 B10R1.245 c1cc(c(c(c1)F)C=O)F TS34649 [0,2,0,0,0,0|0,0,0]=2 3668 B10R1.245 c1cc(c(c(c1)F)C=O)O TS55361 [0,2,0,0,0,0|0,0,0]=2 3669 B10R1.245 c1cc(c(c(c1)F)CBr)F TS34656 [0,2,0,0,0,0|1,0,1]=4 3670 B10R1.245 c1cc(c(c(c1)F)CCl)F TS09249 [0,2,0,0,0,0|1,0,1]=4 3671 B10R1.245 c1cc(c(c(c1)F)CN)F TS34655 [0,2,0,0,0,0|1,0,1]=4 3672 B10R1.245 c1cc(c(c(c1)F)CO)F TS59510 [0,2,0,0,0,0|0,0,2]=4 3673 B10R1.245 c1cc(c(c(c1)F)C[Zn+])F TS33415 [0,2,0,0,0,0|1,0,1]=4 3674 B10R1.245 c1cc(c(c(c1)F)NN)F TS09250 [0,2,0,0,0,0|2,0,0]=4 3675 B10R1.245 c1cc(c(c(c1)F)NN)F TS47308 [0,2,0,0,0,0|2,0,0]=4 3676 B10R1.245 c1cc(c(c(c1)I)C#N)F TS55364 [0,2,0,0,0,0|1,0,1]=4 3677 B10R1.245 c1cc(c(c(c1)I)C=O)F TS01227 [0,2,0,0,0,0|0,0,0]=2 3678 B10R1.245 c1cc(c(c(c1)O)C#N)O TS05970 [0,2,0,0,0,0|1,0,1]=4 3679 B10R1.245 c1cc(c(c(c1)O)C=O)O TS06226 [0,2,0,0,0,0|0,0,0]=2 3680 B10R1.245 c1cnc(c(c1Cl)C=O)Cl TS47214 [0,2,0,0,0,0|1,0,0]=3 3681 B10R1.245 c1cnc(c(c1Cl)C=O)N TS88701 [0,2,0,0,0,0|1,0,0]=3 3682 B10R1.245 c1cnc(c(c1I)C=O)Cl TS85140 [0,2,0,0,0,0|1,0,0]=3 3683 B10R1.245 c1cnc(c(c1I)C=O)F TS55331 [0,2,0,0,0,0|1,0,0]=3 3684 B10R1.245 c1cnc(c(c1N)C=O)Cl TS32794 [0,2,0,0,0,0|1,0,0]=3 3685 B10R1.245 c1nc(c(c(n1)Cl)C=O)Cl TS02917 [0,2,0,0,0,0|2,0,0]=4 3686 B10R1.245 c1nc(c(c(n1)Cl)C=O)N TS60371 [0,2,0,0,0,0|2,0,0]=4 3687 B10R1.245 c1nc(c(c(n1)O)C=O)O TS02925 [0,2,0,0,0,0|2,0,0]=4 3688 B8R1.22 c1cccc(=O)cc1 TS04084 [0,0,1,1,0,0|0,0,0]=2 3689 B8R1.49 C1=CC=CC=CC=C1 TS04046 [0,0,1,1,0,0|1,0,0]=3 3690 B8R2.25 c1ccc2c(c1)C2 TS71846 [1,0,0,1,0,0|0,0,1]=3 3691 B10R2.68 c1cc2c(c(c1)Br)CC2 TS09593 [0,1,0,1,0,0|1,0,1]=4 3692 B10R2.68 c1cc2c(c(c1)N)CC2 TS70910 [0,1,0,1,0,0|1,0,1]=4 3693 B10R2.6 c1ccc(cc1)C2CC2 TS32348 [0,1,0,1,0,0|1,0,1]=4 3694 B10R2.6 c1ccc(cc1)C2CO2 TS04809 [0,1,0,1,0,0|0,0,2]=4 3695 B10R2.6 c1ccc(cc1)[C@@H]2CO2 TS59486 [0,1,0,1,0,0|0,0,2]=4 3696 B10R2.6 c1ccc(cc1)[C@H]2CO2 TS59491 [0,1,0,1,0,0|0,0,2]=4 3697 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [0,1,0,1,0,0|0,0,0]=2 3698 B10R2.320 c1ccc2c(c1)CC2Br TS48022 [0,1,0,1,0,0|1,0,1]=4 3699 B10R2.7 B1Oc2ccccc2O1 TS39809 [0,1,0,1,0,0|1,0,1]=4 3700 B10R2.7 c1c[nH]c2c1ccnc2 TS01216 [0,1,0,1,0,0|2,0,0]=4 3701 B10R2.7 c1c[nH]c2c1cncc2 TS71394 [0,1,0,1,0,0|2,0,0]=4 3702 B10R2.7 c1cc2c(cc[nH]2)nc1 TS70929 [0,1,0,1,0,0|2,0,0]=4 3703 B10R2.7 c1cc2c(cco2)nc1 TS89676 [0,1,0,1,0,0|1,0,1]=4 3704 B10R2.7 c1cc2c(ccs2)nc1 TS89324 [0,1,0,1,0,0|1,1,0]=4 3705 B10R2.7 c1cc2c(cn[nH]2)nc1 TS39228 [0,1,0,1,0,0|2,0,0]=4 3706 B10R2.7 c1cc2cc[nH]c2nc1 TS01299 [0,1,0,1,0,0|2,0,0]=4 3707 B10R2.7 c1cc2cn[nH]c2nc1 TS04782 [0,1,0,1,0,0|2,0,0]=4 3708 B10R2.7 c1ccc2c(c1)CC=C2 TS21648 [0,1,0,1,0,0|1,0,0]=3 3709 B10R2.7 c1ccc2c(c1)CC=C2 TS39603 [0,1,0,1,0,0|1,0,0]=3 3710 B10R2.7 c1ccc2c(c1)CCC2 TS77139 [0,1,0,1,0,0|1,0,1]=4 3711 B10R2.7 c1ccc2c(c1)CCN2 TS00565 [0,1,0,1,0,0|1,0,1]=4 3712 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [0,1,0,1,0,0|0,0,2]=4 3713 B10R2.7 c1ccc2c(c1)CNN2 TS04812 [0,1,0,1,0,0|1,0,1]=4 3714 B10R2.7 c1ccc2c(c1)COC2 TS04810 [0,1,0,1,0,0|0,0,2]=4 3715 B10R2.7 c1ccc2c(c1)NCN2 TS04813 [0,1,0,1,0,0|1,0,1]=4 3716 B10R2.7 c1ccc2c(c1)OCO2 TS39811 [0,1,0,1,0,0|0,0,2]=4 3717 B10R2.7 c1ccc2c(c1)SCS2 TS26450 [0,1,0,1,0,0|0,1,1]=4 3718 B10R2.7 c1ccc2c(c1)[nH]cn2 TS04721 [0,1,0,1,0,0|1,0,0]=3 3719 B10R2.7 c1ccc2c(c1)[nH]nn2 TS04780 [0,1,0,1,0,0|2,0,0]=4 3720 B10R2.7 c1ccc2c(c1)cc[nH]2 TS59671 [0,1,0,1,0,0|1,0,0]=3 3721 B10R2.7 c1ccc2c(c1)cc[se]2 TS48035 [0,1,0,1,0,0|0,1,0]=3 3722 B10R2.7 c1ccc2c(c1)cco2 TS39813 [0,1,0,1,0,0|0,0,1]=3 3723 B10R2.7 c1ccc2c(c1)ccs2 TS55756 [0,1,0,1,0,0|0,1,0]=3 3724 B10R2.7 c1ccc2c(c1)cn[nH]2 TS04722 [0,1,0,1,0,0|1,0,0]=3 3725 B10R2.7 c1ccc2c(c1)cn[nH]2 TS72162 [0,1,0,1,0,0|1,0,0]=3 3726 B10R2.7 c1ccc2c(c1)cno2 TS32395 [0,1,0,1,0,0|0,0,1]=3 3727 B10R2.7 c1ccc2c(c1)cns2 TS06001 [0,1,0,1,0,0|0,1,0]=3 3728 B10R2.7 c1ccc2c(c1)con2 TS32394 [0,1,0,1,0,0|0,0,1]=3 3729 B10R2.7 c1ccc2c(c1)nco2 TS32393 [0,1,0,1,0,0|0,0,1]=3 3730 B10R2.7 c1ccc2c(c1)ncs2 TS05999 [0,1,0,1,0,0|0,1,0]=3 3731 B10R2.7 c1ccc2c(c1)nns2 TS37006 [0,1,0,1,0,0|1,1,0]=4 3732 B10R2.7 c1ccc2c(c1)non2 TS47106 [0,1,0,1,0,0|1,0,1]=4 3733 B10R2.7 c1ccc2c(c1)nsn2 TS85179 [0,1,0,1,0,0|1,1,0]=4 3734 B10R2.7 c1ccn2c(c1)ccn2 TS04725 [0,1,0,1,0,0|2,0,0]=4 3735 B10R2.7 c1ccn2cccc2c1 TS04676 [0,1,0,1,0,0|2,0,0]=4 3736 B10R2.7 c1ccn2ccnc2c1 TS56184 [0,1,0,1,0,0|2,0,0]=4 3737 B10R2.7 c1ccn2cncc2c1 TS01484 [0,1,0,1,0,0|2,0,0]=4 3738 B10R2.7 c1cncc2c1[nH]nc2 TS88164 [0,1,0,1,0,0|2,0,0]=4 3739 B10R2.7 c1cncc2c1cn[nH]2 TS00456 [0,1,0,1,0,0|2,0,0]=4 3740 B10R2.7 c1cncc2c1nc[nH]2 TS88066 [0,1,0,1,0,0|2,0,0]=4 3741 B6R1.2 C1=CC(C=C1)[Hf+3] TS64701 [1,0,0,0,1,0|1,0,1]=4 3742 B6R1.2 C1=CC(C=C1)[Nb+4] TS74559 [1,0,0,0,1,0|1,0,1]=4 3743 B6R1.2 C1=CC(C=C1)[Ti+3] TS22641 [1,0,0,0,1,0|1,0,1]=4 3744 B6R1.2 C1=CC(C=C1)[Zr+3] TS29852 [1,0,0,0,1,0|1,0,1]=4 3745 B6R1.2 C1=CN=NC1=O TS03479 [1,0,0,0,1,0|2,0,0]=4 3746 B6R1.2 C1C=CC(=O)N1 TS71697 [1,0,0,0,1,0|1,0,1]=4 3747 B6R1.2 C1C=CC(=O)O1 TS03476 [1,0,0,0,1,0|1,0,1]=4 3748 B6R1.2 C1C=CCC1=O TS03462 [1,0,0,0,1,0|0,0,2]=4 3749 B6R1.2 C1CC(=O)C=C1 TS00977 [1,0,0,0,1,0|0,0,2]=4 3750 B6R1.2 Cc1cc[nH]c1 TS70679 [1,0,0,0,1,0|1,0,1]=4 3751 B6R1.2 Cc1ccco1 TS03463 [1,0,0,0,1,0|1,0,1]=4 3752 B6R1.2 Cc1cccs1 TS65607 [1,0,0,0,1,0|1,0,1]=4 3753 B6R1.2 Cc1ccoc1 TS02846 [1,0,0,0,1,0|1,0,1]=4 3754 B6R1.2 Cc1ccsc1 TS70682 [1,0,0,0,1,0|1,0,1]=4 3755 B6R1.2 Cn1cccc1 TS03445 [1,0,0,0,1,0|1,0,1]=4 3756 B6R1.2 c1c[nH]c(=O)[nH]1 TS03478 [1,0,0,0,1,0|2,0,0]=4 3757 B6R1.2 c1c[nH]cc1Br TS40352 [1,0,0,0,1,0|2,0,0]=4 3758 B6R1.2 c1cc(oc1)Br TS55169 [1,0,0,0,1,0|2,0,0]=4 3759 B6R1.2 c1cc(sc1)Br TS55181 [1,0,0,0,1,0|2,0,0]=4 3760 B6R1.2 c1cc(sc1)Cl TS04771 [1,0,0,0,1,0|2,0,0]=4 3761 B6R1.2 c1cc(sc1)F TS01041 [1,0,0,0,1,0|2,0,0]=4 3762 B6R1.2 c1cc(sc1)I TS07727 [1,0,0,0,1,0|2,0,0]=4 3763 B6R1.2 c1cc(sc1)S TS39686 [1,0,0,0,1,0|1,1,0]=4 3764 B6R1.2 c1cc(sc1)[Zn+] TS24604 [1,0,0,0,1,0|2,0,0]=4 3765 B6R1.2 c1ccn(c1)N TS00391 [1,0,0,0,1,0|2,0,0]=4 3766 B6R1.2 c1ccn(c1)N TS84904 [1,0,0,0,1,0|2,0,0]=4 3767 B6R1.2 c1coc(=O)o1 TS16828 [1,0,0,0,1,0|2,0,0]=4 3768 B6R1.2 c1cocc1Br TS65944 [1,0,0,0,1,0|2,0,0]=4 3769 B6R1.2 c1cscc1Br TS09501 [1,0,0,0,1,0|2,0,0]=4 3770 B6R1.2 c1cscc1Cl TS04772 [1,0,0,0,1,0|2,0,0]=4 3771 B6R1.2 c1cscc1I TS70636 [1,0,0,0,1,0|2,0,0]=4 3772 B6R1.2 c1cscc1N TS02675 [1,0,0,0,1,0|2,0,0]=4 3773 B6R1.2 c1cscc1N TS88823 [1,0,0,0,1,0|2,0,0]=4 3774 B6R1.2 c1cscc1S TS60165 [1,0,0,0,1,0|1,1,0]=4