0 B9R1.8 C=CSc1ncccn1 FS005021 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.8 c1ccnc(c1)CCO FS011369 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.8 c1cnc(nc1)CCO FS010751 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.8 c1cnccc1CON FS009092 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.8 c1cncnc1CCO FS010754 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.8 c1cnncc1CCN FS009167 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.2 c1cc(cnc1)CO FS011361 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.2 c1cnc(nc1)[Mg]Br FS410291 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.2 c1cnc(nc1)[Mg]Br FS420286 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.2 c1cnc(nc1)[Zn]Br FS430368 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.2 c1cnc(nc1)[Zn]Br FS430872 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.2 c1cnccc1CBr FS000895 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.1 c1c(cnc(n1)CCO)Br FS010752 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.1 c1cc(ccc1CCN)Br FS000610 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.1 c1cc(ccc1CCO)Br FS000612 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.1 c1cc(ccc1CON)F FS001336 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.1 c1cc(ccc1C[Zn]Cl)Br FS430385 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.1 c1cc(ccc1C[Zn]Cl)Br FS430881 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.4 c1cc(c(nc1)CCO)Br FS010556 [0,1,0,0,0,0|1,0,0]=2 19 B10R1.4 c1ccc(c(c1)CCO)Br FS000614 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.10 c1cc(cc(c1)F)CON FS001338 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.10 c1cc(nc(c1)Br)CC#N FS011421 [0,1,0,0,0,0|1,0,1]=3 22 B10R1.10 c1cc(nc(c1)Cl)CC#N FS011420 [0,1,0,0,0,0|1,0,1]=3 23 B10R1.15 CC(CO)c1ccccn1 FS010750 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.15 CC(c1ccccc1)[Zn]Cl FS430376 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.15 CC(c1ccccc1)[Zn]Cl FS430876 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.17 C=COCc1ccccc1 FS010248 [0,1,0,0,0,0|1,0,2]=4 27 B10R1.17 CNCCc1ccccn1 FS000818 [0,1,0,0,0,0|0,0,0]=1 28 B10R1.17 CON=Cc1ccccc1 FS024700 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.17 c1ccc(cc1)C#CCO FS000843 [0,1,0,0,0,0|1,0,2]=4 30 B10R1.17 c1ccc(cc1)CCCBr FS410094 [0,1,0,0,0,0|1,0,0]=2 31 B10R1.17 c1ccc(cc1)CCON FS001332 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.17 c1ccnc(c1)CCON FS009095 [0,1,0,0,0,0|1,0,0]=2 33 B10R2.7 c1cc2c([nH]cn2)nc1 FS000663 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.8 c1cc(sc1)CCO FS011370 [0,0,0,0,1,0|2,0,0]=3 35 B7R1.3 c1cc(nnc1)Cl FS007101 [2,0,0,0,0,0|2,0,0]=4 36 B7R1.3 c1cc(nnc1)N FS000313 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.1 C#Cc1ccc(cn1)Br FS008895 [1,1,0,0,0,0|0,0,2]=4 38 B9R1.1 c1cc(ccc1CN)Cl FS003018 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.1 c1cc(ncc1Br)NN FS005000 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.1 c1cc(ncc1Br)[Mg]Br FS410335 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.1 c1cc(ncc1Br)[Mg]Br FS420328 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.2 CCc1cc(ccn1)Br FS009511 [1,1,0,0,0,0|0,0,0]=2 43 B9R1.2 CCc1cccc(n1)Br FS009138 [1,1,0,0,0,0|0,0,0]=2 44 B9R1.2 Cc1ccnc(c1)[Zn]Br FS430178 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.2 c1cc(cc(c1)Br)CN FS000883 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.2 c1cc(cc(c1)I)CO FS000603 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.2 c1cc(nc(c1)Br)[Mg]Br FS410336 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.2 c1cc(nc(c1)Br)[Mg]Br FS420329 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.2 c1cc(nc(c1)Cl)[Mg]Br FS410316 [1,1,0,0,0,0|2,0,0]=4 50 B9R1.2 c1cc(nc(c1)Cl)[Mg]Br FS420309 [1,1,0,0,0,0|2,0,0]=4 51 B9R1.2 c1cc(nc(c1)[Zn]Br)Cl FS430404 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.2 c1cc(nc(c1)[Zn]Br)Cl FS430896 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.2 c1cc(nc(c1)[Zn]Br)F FS430120 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.2 c1cc(nc(c1)[Zn]Br)F FS430620 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.2 c1cnc(cc1Br)[Mg]Br FS410334 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.2 c1cnc(cc1Br)[Mg]Br FS420327 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.2 c1cnc(cc1Br)[Mg]Cl FS410163 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.2 c1cnc(cc1Br)[Mg]Cl FS420158 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.2 c1cnc(cc1Br)[Zn]Cl FS430263 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.2 c1cnc(cc1Br)[Zn]Cl FS430766 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.2 c1cnc(cc1Cl)[Mg]Br FS410317 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.2 c1cnc(cc1Cl)[Mg]Br FS420310 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.2 c1cnc(cc1Cl)[Zn]Br FS430406 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.2 c1cnc(cc1Cl)[Zn]Br FS430898 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.2 c1cnc(cc1F)[Mg]Cl FS410135 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.2 c1cnc(cc1F)[Mg]Cl FS420130 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.2 c1cnc(cc1F)[Zn]Cl FS430241 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.2 c1cnc(cc1F)[Zn]Cl FS430744 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.2 c1cnc(nc1CO)N FS000710 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.15 CCc1ccncc1Br FS007509 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.15 CCc1ccncc1N FS009315 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.15 c1cc(c(nc1)C#N)N FS001009 [1,1,0,0,0,0|1,0,1]=4 73 B9R1.15 c1cc(c(nc1)[Zn]Br)Cl FS430403 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.15 c1cc(c(nc1)[Zn]Br)Cl FS430895 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.15 c1cc(c(nc1)[Zn]Br)F FS430370 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.15 c1cc(c(nc1)[Zn]Br)F FS430873 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.15 c1ccc(c(c1)CN)Br FS000826 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.13 C[C@@H](Cc1cccs1)O FS024582 [0,1,0,0,1,0|1,0,0]=3 79 B9R1.13 C[C@@H](Cc1ccsc1)O FS024621 [0,1,0,0,1,0|1,0,0]=3 80 B9R1.13 C[C@H](Cc1cccs1)O FS024581 [0,1,0,0,1,0|1,0,0]=3 81 B9R1.13 C[C@H](Cc1ccsc1)O FS024620 [0,1,0,0,1,0|1,0,0]=3 82 B11R1.1 Cc1ccc(cc1)CC[Zn]Br FS430170 [0,2,0,0,0,0|2,0,0]=4 83 B11R1.1 Cc1ccc(cc1)CC[Zn]Br FS430669 [0,2,0,0,0,0|2,0,0]=4 84 B11R1.1 c1cc(ccc1CCON)F FS009702 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.1 c1cc(ccc1CC[Mg]Br)Cl FS410304 [0,2,0,0,0,0|2,0,0]=4 86 B11R1.1 c1cc(ccc1CC[Mg]Cl)Cl FS410017 [0,2,0,0,0,0|2,0,0]=4 87 B11R1.1 c1cc(ccc1CC[Mg]Cl)Cl FS420015 [0,2,0,0,0,0|2,0,0]=4 88 B11R1.1 c1cc(ccc1CC[Zn]Br)Cl FS430392 [0,2,0,0,0,0|2,0,0]=4 89 B11R1.1 c1cc(ccc1CC[Zn]Br)Cl FS430885 [0,2,0,0,0,0|2,0,0]=4 90 B11R1.1 c1cc(ccc1CC[Zn]Cl)Cl FS430032 [0,2,0,0,0,0|2,0,0]=4 91 B11R1.1 c1cc(ccc1CC[Zn]Cl)Cl FS430539 [0,2,0,0,0,0|2,0,0]=4 92 B11R1.20 c1cc(ncc1Br)OC(F)F FS008112 [0,2,0,0,0,0|2,0,0]=4 93 B11R1.83 CCCc1ccc(cc1)[Zn]Br FS430199 [0,2,0,0,0,0|1,0,0]=3 94 B11R1.83 CCCc1ccc(cc1)[Zn]Br FS430700 [0,2,0,0,0,0|1,0,0]=3 95 B11R1.83 CCOc1ccc(cn1)[Zn]Br FS430093 [0,2,0,0,0,0|1,0,0]=3 96 B11R1.83 CCOc1ccc(cn1)[Zn]Br FS430594 [0,2,0,0,0,0|1,0,0]=3 97 B11R1.83 CCSc1ccc(cc1)[Zn]Br FS430098 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.83 CCSc1ccc(cc1)[Zn]Br FS430599 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.83 COCc1ccc(cc1)[Zn]Br FS430134 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.83 COCc1ccc(cc1)[Zn]Br FS430634 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.17 c1ccc(c(c1)CCON)F FS009700 [0,2,0,0,0,0|2,0,0]=4 102 B11R1.17 c1ccc(c(c1)CC[Zn]Br)Cl FS430537 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.17 c1ccc(c(c1)CC[Zn]Br)F FS430115 [0,2,0,0,0,0|2,0,0]=4 104 B11R1.17 c1ccc(c(c1)CC[Zn]Br)F FS430615 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.17 c1ccc(c(c1)CC[Zn]Cl)Cl FS430030 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.41 CCOc1ccccc1[Zn]Br FS430282 [0,2,0,0,0,0|2,0,0]=4 107 B11R1.41 CCOc1ccccc1[Zn]Br FS430786 [0,2,0,0,0,0|2,0,0]=4 108 B11R1.41 COCc1ccccc1[Zn]Br FS430493 [0,2,0,0,0,0|2,0,0]=4 109 B11R1.41 COCc1ccccc1[Zn]Br FS430977 [0,2,0,0,0,0|2,0,0]=4 110 B11R1.86 C[C@@H](Cc1ccccc1O)O FS024562 [0,2,0,0,0,0|1,0,0]=3 111 B11R1.86 C[C@H](Cc1ccccc1O)O FS024561 [0,2,0,0,0,0|1,0,0]=3 112 B11R1.86 Cc1cccnc1CC(=C)Br FS009152 [0,2,0,0,0,0|0,0,2]=4 113 B11R1.605 CCOc1c(cccc1Br)F FS007641 [0,2,0,0,0,0|2,0,0]=4 114 B11R1.24 Cc1cccc(c1)CC[Mg]Br FS410139 [0,2,0,0,0,0|2,0,0]=4 115 B11R1.24 Cc1cccc(c1)CC[Mg]Br FS420134 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.24 c1cc(cc(c1)Br)OCCF FS011298 [0,2,0,0,0,0|2,0,0]=4 117 B11R1.24 c1cc(cc(c1)Cl)CC[Zn]Br FS430031 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.24 c1cc(cc(c1)Cl)CC[Zn]Br FS430538 [0,2,0,0,0,0|2,0,0]=4 119 B11R1.24 c1cc(cc(c1)F)CCON FS009701 [0,2,0,0,0,0|2,0,0]=4 120 B11R1.24 c1cc(cc(c1)F)CC[Mg]Br FS410049 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.24 c1cc(cc(c1)F)CC[Mg]Br FS420045 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.24 c1cc(cc(c1)F)CC[Zn]Br FS430116 [0,2,0,0,0,0|2,0,0]=4 123 B11R1.34 CCOc1cc(cc(c1)Br)O FS007932 [0,2,0,0,0,0|2,0,0]=4 124 B11R1.157 C[C@@H](Cc1cccc(c1)Br)O FS024556 [0,2,0,0,0,0|1,0,0]=3 125 B11R1.157 C[C@@H](Cc1cccc(c1)O)O FS024550 [0,2,0,0,0,0|1,0,0]=3 126 B11R1.157 C[C@H](Cc1cccc(c1)Br)O FS024555 [0,2,0,0,0,0|1,0,0]=3 127 B11R1.157 C[C@H](Cc1cccc(c1)O)O FS024549 [0,2,0,0,0,0|1,0,0]=3 128 B11R1.157 Cc1cc(cnc1)C[C@H](C)O FS024601 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.157 c1cc(nc(c1)Cl)CC(=O)O FS011485 [0,2,0,0,0,0|1,0,1]=4 130 B11R1.157 c1cc(nc(c1)F)OC(F)F FS007069 [0,2,0,0,0,0|2,0,0]=4 131 B11R1.189 C#Cc1cccc(n1)CC#N FS009769 [0,2,0,0,0,0|1,0,1]=4 132 B11R1.189 CCOc1cccc(c1)[Zn]Br FS430091 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.189 CCOc1cccc(c1)[Zn]Br FS430592 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.189 CCOc1cccc(n1)[Mg]Cl FS410133 [0,2,0,0,0,0|1,0,0]=3 135 B11R1.189 CCOc1cccc(n1)[Mg]Cl FS420128 [0,2,0,0,0,0|1,0,0]=3 136 B11R1.189 CCOc1cccc(n1)[Zn]Cl FS430239 [0,2,0,0,0,0|1,0,0]=3 137 B11R1.189 CCOc1cccc(n1)[Zn]Cl FS430742 [0,2,0,0,0,0|1,0,0]=3 138 B11R1.189 COCc1cccc(c1)[Zn]Br FS430492 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.189 COCc1cccc(c1)[Zn]Br FS430976 [0,2,0,0,0,0|2,0,0]=4 140 B11R1.189 COc1cccc(n1)CCO FS010560 [0,2,0,0,0,0|1,0,0]=3 141 B11R1.16 CC(C[Zn]Br)c1ccccc1 FS430171 [0,2,0,0,0,0|2,0,0]=4 142 B11R1.16 CC(C[Zn]Br)c1ccccc1 FS430670 [0,2,0,0,0,0|2,0,0]=4 143 B11R1.16 CC(c1ccccc1)NOC FS024705 [0,2,0,0,0,0|2,0,0]=4 144 B11R1.16 CCOC(=O)c1cccnn1 FS007146 [0,2,0,0,0,0|1,0,1]=4 145 B11R1.28 CONCCc1ccccc1 FS024776 [0,2,0,0,0,0|1,0,0]=3 146 B11R1.28 c1ccc(cc1)COCC#N FS009056 [0,2,0,0,0,0|1,0,1]=4 147 B11R1.28 c1ccnc(c1)CCCC=O FS024781 [0,2,0,0,0,0|0,0,0]=2 148 B11R1.40 CC(Cc1ccccc1)[Mg]Br FS410095 [0,2,0,0,0,0|1,0,0]=3 149 B11R1.40 CC(Cc1ccccc1)[Mg]Br FS420093 [0,2,0,0,0,0|1,0,0]=3 150 B11R1.91 CC(C#Cc1ccccc1)O FS000001 [0,2,0,0,0,0|1,0,1]=4 151 B9R2.3 C1Cc2c(snn2)C1 FS008924 [0,0,0,1,1,0|2,0,0]=4 152 B11R2.34 c1c(ncc(n1)Br)C2CC2 FS009097 [0,1,0,1,0,0|1,0,0]=3 153 B11R2.34 c1cc(ccc1C2CC2)Br FS004200 [0,1,0,1,0,0|1,0,0]=3 154 B11R2.34 c1cc(nnc1C2CC2)Br FS009098 [0,1,0,1,0,0|1,0,0]=3 155 B11R2.20 c1cc2c(nc1)C=CCO2 FS007741 [0,1,0,1,0,0|0,0,2]=4 156 B11R2.106 c1cc2c([n+](c1)[O-])CCC2 FS007519 [0,1,0,1,0,0|0,0,1]=3 157 B11R2.106 c1cc2c(c(c1)O)OCC2 FS010290 [0,1,0,1,0,0|2,0,0]=4 158 B11R2.35 c1cc(cc(c1)Br)C2CC2 FS008745 [0,1,0,1,0,0|1,0,0]=3 159 B11R2.35 c1cc(nc(c1)Br)C2CC2 FS009137 [0,1,0,1,0,0|0,0,0]=2 160 B11R2.35 c1cnc(cc1Br)C2CC2 FS009135 [0,1,0,1,0,0|0,0,0]=2 161 B11R2.35 c1cnc(cc1C2CC2)Br FS009134 [0,1,0,1,0,0|2,0,0]=4 162 B11R2.1 Cc1c2cccnc2sn1 FS000666 [0,1,0,1,0,0|1,0,1]=4 163 B7R1.1 c1cscc1CO FS011375 [1,0,0,0,1,0|2,0,0]=4 164 B7R1.1 c1csnc1CO FS007480 [1,0,0,0,1,0|2,0,0]=4