0 B7R1.3 Cc1ccnnc1 FS009182 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.3 c1cc(nnc1)Cl FS007101 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 c1cc(nnc1)N FS000313 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 c1cnncc1Br FS007145 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 c1cnncc1Br FS010350 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 c1cnncc1Cl FS009197 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 c1cnncc1O FS009166 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.2 c1c(cncn1)[Mg]Br FS410293 [0,1,0,0,0,0|3,0,0]=4 8 B8R1.2 c1c(cncn1)[Mg]Br FS420288 [0,1,0,0,0,0|3,0,0]=4 9 B8R1.2 c1cc(cnc1)CO FS011361 [0,1,0,0,0,0|1,0,0]=2 10 B8R1.2 c1cnc(nc1)[Mg]Br FS410291 [0,1,0,0,0,0|3,0,0]=4 11 B8R1.2 c1cnc(nc1)[Mg]Br FS420286 [0,1,0,0,0,0|3,0,0]=4 12 B8R1.2 c1cnc(nc1)[Zn]Br FS430368 [0,1,0,0,0,0|3,0,0]=4 13 B8R1.2 c1cnc(nc1)[Zn]Br FS430872 [0,1,0,0,0,0|3,0,0]=4 14 B8R1.2 c1cnccc1CBr FS000895 [0,1,0,0,0,0|2,0,0]=3 15 B8R1.2 c1cnccc1[Mg]Br FS410115 [0,1,0,0,0,0|2,0,0]=3 16 B8R1.2 c1cnccc1[Mg]Br FS420111 [0,1,0,0,0,0|2,0,0]=3 17 B8R1.2 c1cnccc1[Zn]Br FS430224 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.2 c1cnccc1[Zn]Br FS430726 [0,1,0,0,0,0|2,0,0]=3 19 B8R1.2 c1cnncc1C#N FS009165 [0,1,0,0,0,0|3,0,0]=4 20 B8R1.2 c1cnncc1CN FS009169 [0,1,0,0,0,0|3,0,0]=4 21 B8R1.2 c1cnncc1NN FS009177 [0,1,0,0,0,0|3,0,0]=4 22 B8R1.3 c1c(cnc(n1)Br)F FS000598 [0,1,0,0,0,0|3,0,0]=4 23 B8R1.4 C[n+]1cccc(c1)Br FS003003 [0,1,0,0,0,0|2,0,0]=3 24 B8R1.4 Cc1cc(ccn1)Br FS061083 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.4 Cc1cc(nnc1)O FS007939 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.4 c1c(cncc1F)N FS001110 [0,1,0,0,0,0|2,0,0]=3 27 B8R1.4 c1cnc(cc1Br)Br FS001026 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.4 c1cnc(cc1Br)Cl FS410162 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.4 c1cnc(cc1Br)N FS001007 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.4 c1cnc(cc1Cl)N FS001111 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.4 c1cnc(cc1N)Cl FS000027 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.5 Cc1ccnnc1O FS009161 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.5 c1cc(c(nc1)F)Br FS001113 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.5 c1cc(c(nc1)S)O FS007365 [0,1,0,0,0,0|1,0,0]=2 35 B8R1.5 c1cncc(c1N)I FS002088 [0,1,0,0,0,0|2,0,0]=3 36 B6R1.2 Cc1ccns1 FS000716 [0,0,0,0,1,0|3,0,0]=4 37 B6R1.2 Cc1ccon1 FS000477 [0,0,0,0,1,0|3,0,0]=4 38 B6R1.2 Cc1ccsn1 FS000658 [0,0,0,0,1,0|3,0,0]=4 39 B6R1.2 c1c(csn1)I FS007456 [0,0,0,0,1,0|3,0,0]=4 40 B6R1.2 c1c(csn1)N FS007542 [0,0,0,0,1,0|3,0,0]=4 41 B6R1.2 c1c(ncs1)Br FS000572 [0,0,0,0,1,0|3,0,0]=4 42 B6R1.2 c1c(scn1)Br FS000573 [0,0,0,0,1,0|3,0,0]=4 43 B6R1.2 c1c[nH][13c](=O)[nH]1 13005032 [0,0,0,0,1,0|2,0,1]=4 44 B6R1.2 c1c[nH]c(=O)[nH]1 FS005032 [0,0,0,0,1,0|2,0,1]=4 45 B6R1.2 c1c[nH]nc1N FS000814 [0,0,0,0,1,0|3,0,0]=4 46 B6R1.2 c1cnsc1Br FS007598 [0,0,0,0,1,0|3,0,0]=4 47 B6R1.2 c1csnc1Br FS009369 [0,0,0,0,1,0|3,0,0]=4 48 B7R1.1 C#Cc1cccs1 FS001813 [0,1,0,0,1,0|2,0,0]=4 49 B7R1.1 C#Cc1ccsc1 FS009403 [0,1,0,0,1,0|2,0,0]=4 50 B7R1.1 c1cc(oc1)[Zn]Br FS430456 [0,1,0,0,1,0|2,0,0]=4 51 B7R1.1 c1cc(oc1)[Zn]Br FS430940 [0,1,0,0,1,0|2,0,0]=4 52 B7R1.1 c1cnsc1CO FS007481 [0,1,0,0,1,0|2,0,0]=4 53 B7R1.1 c1cscc1C#N FS011365 [0,1,0,0,1,0|2,0,0]=4 54 B7R1.1 c1cscc1CO FS011375 [0,1,0,0,1,0|1,0,0]=3 55 B7R1.1 c1csnc1CO FS007480 [0,1,0,0,1,0|2,0,0]=4 56 B9R1.1 C#Cc1ccc(cn1)Br FS008895 [0,2,0,0,0,0|2,0,0]=4 57 B9R1.1 Cc1ccc(cc1)[Zn]Br FS430174 [0,2,0,0,0,0|1,0,0]=3 58 B9R1.1 Cc1ccc(cc1)[Zn]Br FS430673 [0,2,0,0,0,0|1,0,0]=3 59 B9R1.1 c1cc(ccc1CN)Cl FS003018 [0,2,0,0,0,0|1,0,0]=3 60 B9R1.1 c1cc(ncc1Br)NN FS005000 [0,2,0,0,0,0|2,0,0]=4 61 B9R1.1 c1cc(ncc1Br)[Mg]Br FS410335 [0,2,0,0,0,0|2,0,0]=4 62 B9R1.1 c1cc(ncc1Br)[Mg]Br FS420328 [0,2,0,0,0,0|2,0,0]=4 63 B9R1.1 c1cc(ncc1[Mg]Br)Cl FS410301 [0,2,0,0,0,0|2,0,0]=4 64 B9R1.1 c1cc(ncc1[Mg]Br)Cl FS420296 [0,2,0,0,0,0|2,0,0]=4 65 B9R1.1 c1cc(ncc1[Zn]Br)F FS430118 [0,2,0,0,0,0|2,0,0]=4 66 B9R1.1 c1cc(ncc1[Zn]Br)F FS430618 [0,2,0,0,0,0|2,0,0]=4 67 B9R1.2 C#Cc1cccc(c1)N FS000012 [0,2,0,0,0,0|1,0,0]=3 68 B9R1.2 CCc1cc(ccn1)Br FS009511 [0,2,0,0,0,0|2,0,0]=4 69 B9R1.2 CCc1cccc(n1)Br FS009138 [0,2,0,0,0,0|2,0,0]=4 70 B9R1.2 Cc1cc(ccn1)[Mg]Br FS410299 [0,2,0,0,0,0|2,0,0]=4 71 B9R1.2 Cc1cc(ccn1)[Mg]Br FS420294 [0,2,0,0,0,0|2,0,0]=4 72 B9R1.2 Cc1cc(cnc1)[Zn]Br FS430179 [0,2,0,0,0,0|2,0,0]=4 73 B9R1.2 Cc1cc(cnc1)[Zn]Br FS430678 [0,2,0,0,0,0|2,0,0]=4 74 B9R1.2 Cc1cccc(c1)[Zn]Br FS430173 [0,2,0,0,0,0|1,0,0]=3 75 B9R1.2 Cc1cccc(c1)[Zn]Br FS430672 [0,2,0,0,0,0|1,0,0]=3 76 B9R1.2 Cc1ccnc(c1)[Zn]Br FS430178 [0,2,0,0,0,0|2,0,0]=4 77 B9R1.2 c1c(cncc1Br)[Mg]Br FS410337 [0,2,0,0,0,0|2,0,0]=4 78 B9R1.2 c1c(cncc1Br)[Mg]Br FS420330 [0,2,0,0,0,0|2,0,0]=4 79 B9R1.2 c1c(cncc1Cl)CO FS001092 [0,2,0,0,0,0|1,0,0]=3 80 B9R1.2 c1c(cncc1Cl)[Mg]Br FS410019 [0,2,0,0,0,0|2,0,0]=4 81 B9R1.2 c1c(cncc1Cl)[Mg]Br FS420017 [0,2,0,0,0,0|2,0,0]=4 82 B9R1.2 c1c(cncc1[Zn]Br)Cl FS430545 [0,2,0,0,0,0|2,0,0]=4 83 B9R1.2 c1c(cncc1[Zn]Br)F FS430497 [0,2,0,0,0,0|2,0,0]=4 84 B9R1.2 c1c(cncc1[Zn]Br)F FS430619 [0,2,0,0,0,0|2,0,0]=4 85 B9R1.2 c1cc(cc(c1)Br)CN FS000883 [0,2,0,0,0,0|1,0,0]=3 86 B9R1.2 c1cc(cc(c1)I)CO FS000603 [0,2,0,0,0,0|0,0,0]=2 87 B9R1.2 c1cc(cc(c1)[Zn]Br)Cl FS430540 [0,2,0,0,0,0|1,0,0]=3 88 B9R1.2 c1cc(nc(c1)Br)[Mg]Br FS410336 [0,2,0,0,0,0|2,0,0]=4 89 B9R1.2 c1cc(nc(c1)Br)[Mg]Br FS420329 [0,2,0,0,0,0|2,0,0]=4 90 B9R1.2 c1cc(nc(c1)Cl)[Mg]Br FS410316 [0,2,0,0,0,0|2,0,0]=4 91 B9R1.2 c1cc(nc(c1)Cl)[Mg]Br FS420309 [0,2,0,0,0,0|2,0,0]=4 92 B9R1.2 c1cc(nc(c1)[Zn]Br)Cl FS430404 [0,2,0,0,0,0|2,0,0]=4 93 B9R1.2 c1cc(nc(c1)[Zn]Br)Cl FS430896 [0,2,0,0,0,0|2,0,0]=4 94 B9R1.2 c1cc(nc(c1)[Zn]Br)F FS430120 [0,2,0,0,0,0|2,0,0]=4 95 B9R1.2 c1cc(nc(c1)[Zn]Br)F FS430620 [0,2,0,0,0,0|2,0,0]=4 96 B9R1.2 c1cnc(cc1Br)[Mg]Br FS410334 [0,2,0,0,0,0|2,0,0]=4 97 B9R1.2 c1cnc(cc1Br)[Mg]Br FS420327 [0,2,0,0,0,0|2,0,0]=4 98 B9R1.2 c1cnc(cc1Br)[Mg]Cl FS410163 [0,2,0,0,0,0|2,0,0]=4 99 B9R1.2 c1cnc(cc1Br)[Mg]Cl FS420158 [0,2,0,0,0,0|2,0,0]=4 100 B9R1.2 c1cnc(cc1Br)[Zn]Cl FS430263 [0,2,0,0,0,0|2,0,0]=4 101 B9R1.2 c1cnc(cc1Br)[Zn]Cl FS430766 [0,2,0,0,0,0|2,0,0]=4 102 B9R1.2 c1cnc(cc1C#N)Cl FS000570 [0,2,0,0,0,0|2,0,0]=4 103 B9R1.2 c1cnc(cc1C#N)F FS001050 [0,2,0,0,0,0|2,0,0]=4 104 B9R1.2 c1cnc(cc1Cl)[Mg]Br FS410317 [0,2,0,0,0,0|2,0,0]=4 105 B9R1.2 c1cnc(cc1Cl)[Mg]Br FS420310 [0,2,0,0,0,0|2,0,0]=4 106 B9R1.2 c1cnc(cc1Cl)[Zn]Br FS430406 [0,2,0,0,0,0|2,0,0]=4 107 B9R1.2 c1cnc(cc1Cl)[Zn]Br FS430898 [0,2,0,0,0,0|2,0,0]=4 108 B9R1.2 c1cnc(cc1F)[Mg]Cl FS410135 [0,2,0,0,0,0|2,0,0]=4 109 B9R1.2 c1cnc(cc1F)[Mg]Cl FS420130 [0,2,0,0,0,0|2,0,0]=4 110 B9R1.2 c1cnc(cc1F)[Zn]Cl FS430241 [0,2,0,0,0,0|2,0,0]=4 111 B9R1.2 c1cnc(cc1F)[Zn]Cl FS430744 [0,2,0,0,0,0|2,0,0]=4 112 B9R1.2 c1cnc(cc1[Mg]Br)Cl FS410300 [0,2,0,0,0,0|2,0,0]=4 113 B9R1.2 c1cnc(cc1[Mg]Br)Cl FS420295 [0,2,0,0,0,0|2,0,0]=4 114 B9R1.2 c1cnc(cc1[Mg]Br)F FS410297 [0,2,0,0,0,0|2,0,0]=4 115 B9R1.2 c1cnc(cc1[Mg]Br)F FS420292 [0,2,0,0,0,0|2,0,0]=4 116 B9R1.2 c1cnc(cc1[Zn]Br)F FS430373 [0,2,0,0,0,0|2,0,0]=4 117 B9R1.2 c1cnc(cc1[Zn]Br)F FS430874 [0,2,0,0,0,0|2,0,0]=4 118 B9R1.2 c1cnc(nc1CO)N FS000710 [0,2,0,0,0,0|2,0,0]=4 119 B9R1.6 B(c1ccncc1)(O)O FS000884 [0,2,0,0,0,0|1,0,0]=3 120 B9R1.8 c1ccnc(c1)CCO FS011369 [0,2,0,0,0,0|1,0,0]=3 121 B9R1.8 c1cnc(nc1)CCO FS010751 [0,2,0,0,0,0|2,0,0]=4 122 B9R1.8 c1cnccc1CON FS009092 [0,2,0,0,0,0|1,0,0]=3 123 B9R1.8 c1cncnc1CCO FS010754 [0,2,0,0,0,0|2,0,0]=4 124 B9R1.15 CCc1ccncc1Br FS007509 [0,2,0,0,0,0|2,0,0]=4 125 B9R1.15 CCc1ccncc1N FS009315 [0,2,0,0,0,0|2,0,0]=4 126 B9R1.15 COc1cccnc1S FS007350 [0,2,0,0,0,0|1,0,0]=3 127 B9R1.15 Cc1c(cccn1)[Zn]Br FS430677 [0,2,0,0,0,0|2,0,0]=4 128 B9R1.15 Cc1ccccc1[Zn]Br FS430172 [0,2,0,0,0,0|1,0,0]=3 129 B9R1.15 Cc1ccccc1[Zn]Br FS430671 [0,2,0,0,0,0|1,0,0]=3 130 B9R1.15 c1cc(c(nc1)C#N)N FS001009 [0,2,0,0,0,0|2,0,0]=4 131 B9R1.15 c1cc(c(nc1)F)[Zn]Br FS430383 [0,2,0,0,0,0|2,0,0]=4 132 B9R1.15 c1cc(c(nc1)F)[Zn]Br FS430880 [0,2,0,0,0,0|2,0,0]=4 133 B9R1.15 c1cc(c(nc1)[Zn]Br)Cl FS430403 [0,2,0,0,0,0|2,0,0]=4 134 B9R1.15 c1cc(c(nc1)[Zn]Br)Cl FS430895 [0,2,0,0,0,0|2,0,0]=4 135 B9R1.15 c1cc(c(nc1)[Zn]Br)F FS430370 [0,2,0,0,0,0|2,0,0]=4 136 B9R1.15 c1cc(c(nc1)[Zn]Br)F FS430873 [0,2,0,0,0,0|2,0,0]=4 137 B9R1.15 c1ccc(c(c1)C#N)I FS011377 [0,2,0,0,0,0|1,0,0]=3 138 B9R1.15 c1ccc(c(c1)CN)Br FS000826 [0,2,0,0,0,0|1,0,0]=3 139 B9R1.15 c1ccc(c(c1)[Mg]Br)Cl FS410177 [0,2,0,0,0,0|1,0,0]=3 140 B9R1.15 c1ccc(c(c1)[Mg]Br)Cl FS420172 [0,2,0,0,0,0|1,0,0]=3 141 B9R1.15 c1cncc(c1Cl)CO FS001091 [0,2,0,0,0,0|1,0,0]=3 142 B9R1.15 c1cncc(c1Cl)[Zn]Br FS430405 [0,2,0,0,0,0|2,0,0]=4 143 B9R1.15 c1cncc(c1Cl)[Zn]Br FS430897 [0,2,0,0,0,0|2,0,0]=4 144 B9R1.69 Cc1c(ccc(n1)Cl)Br FS001025 [0,2,0,0,0,0|2,0,0]=4 145 B9R1.69 Cc1cc(ccc1I)Br FS000030 [0,2,0,0,0,0|1,0,0]=3 146 B9R1.69 Cc1cc(ncc1F)Cl FS007139 [0,2,0,0,0,0|2,0,0]=4 147 B9R1.69 Cc1cc(ncc1N)F FS007140 [0,2,0,0,0,0|2,0,0]=4 148 B9R1.69 Cc1ccc(c(n1)Br)I FS008036 [0,2,0,0,0,0|2,0,0]=4 149 B9R1.69 Cc1ccc(c(n1)C)Br FS001028 [0,2,0,0,0,0|2,0,0]=4 150 B9R1.69 c1c(cnc(c1N)Cl)Br FS001083 [0,2,0,0,0,0|2,0,0]=4 151 B9R1.69 c1cc(c(cc1F)Cl)I FS011367 [0,2,0,0,0,0|1,0,0]=3 152 B9R1.69 c1cc(c(cc1I)O)F FS008064 [0,2,0,0,0,0|0,0,0]=2 153 B9R1.3 Cc1cccc(c1F)Br FS007309 [0,2,0,0,0,0|1,0,0]=3 154 B9R1.3 Cc1ccnc(c1N)F FS007053 [0,2,0,0,0,0|2,0,0]=4 155 B9R1.3 c1c(c(c(cn1)Br)N)N FS001030 [0,2,0,0,0,0|2,0,0]=4 156 B9R1.3 c1c(c(c(cn1)Cl)N)N FS001029 [0,2,0,0,0,0|2,0,0]=4 157 B9R1.3 c1cc(c(c(c1)I)F)O FS007926 [0,2,0,0,0,0|0,0,0]=2 158 B9R1.3 c1cc(c(c(c1)O)F)N FS009406 [0,2,0,0,0,0|0,0,0]=2 159 B9R1.3 c1cnc(c(c1N)N)Br FS007637 [0,2,0,0,0,0|2,0,0]=4 160 B9R1.34 Cc1cc(cc(n1)C)Br FS001052 [0,2,0,0,0,0|2,0,0]=4 161 B9R1.34 c1c(cc(cc1F)I)O FS010922 [0,2,0,0,0,0|0,0,0]=2 162 B5R1.1 c1cnsc1 FS000701 [1,0,0,0,1,0|2,0,0]=4