0 B7R1.1 BrC=C1C=CC=C1 Amb28118986 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.1 BrCC1=CCCC1 Amb23439168 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.1 BrCC1C=CCC1 Amb28385457 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.1 BrCC1CC=CC1 Amb25216921 [0,0,0,0,0,0|2,0,2]=4 4 B7R1.1 BrCN1NC=CO1 Amb27878595 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.1 BrC[C@@H]1C=CCC1 Amb27233396 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.1 BrCc1cccs1 Amb10602501 [0,0,0,0,0,0|1,1,0]=2 7 B7R1.1 BrCc1ccno1 Amb19338117 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.1 BrCc1ccns1 Amb20242134 [0,0,0,0,0,0|2,1,0]=3 9 B7R1.1 BrCc1ccoc1 Amb33543824 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.1 BrCc1ccon1 Amb18183486 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.1 BrCc1ccsc1 Amb33528728 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.1 BrCc1cnns1 Amb24442353 [0,0,0,0,0,0|3,1,0]=4 13 B7R1.1 BrCc1cnns1 Amb32652960 [0,0,0,0,0,0|3,1,0]=4 14 B7R1.1 BrCc1cnoc1 Amb10609515 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.1 BrCc1cnon1 Amb24331159 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.1 BrCc1cnsc1 Amb28385702 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.1 BrCc1cnsn1 Amb26336054 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.1 BrCc1cocn1 Amb10071194 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.1 BrCc1cocn1 Amb24105437 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.1 BrCc1cscn1 Amb22728093 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.1 BrCc1cscn1 Amb8630251 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.1 BrCc1csnn1 Amb24478561 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.1 BrCc1nccs1 Amb10602038 [0,0,0,0,0,0|2,1,0]=3 24 B7R1.1 BrCc1nccs1 Amb21857626 [0,0,0,0,0,0|2,1,0]=3 25 B7R1.1 BrCc1ncno1 Amb28050436 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.1 BrCc1ncon1 Amb19517086 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.1 BrCc1nncs1 Amb24065108 [0,0,0,0,0,0|3,1,0]=4 28 B7R1.1 BrCn1cccc1 Amb28121283 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.1 BrCn1cccn1 Amb24557786 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.1 BrCn1cccn1 Amb33537342 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.1 BrCn1nccn1 Amb27663926 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.1 Br[Zn]c1cccs1 Amb6300113 [0,0,0,0,0,0|2,1,0]=3 33 B7R1.1 Br[Zn]c1nccs1 Amb22000385 [0,0,0,0,0,0|3,1,0]=4 34 B7R1.1 C#C[c-]1cccc1 Amb34197080 [0,0,0,0,0,0|2,0,2]=4 35 B7R1.1 C#Cc1ccco1 Amb24178904 [0,0,0,0,0,0|1,0,1]=2 36 B7R1.1 C#Cc1cccs1 Amb2721505 [0,0,0,0,0,0|1,1,1]=3 37 B7R1.1 C#Cc1ccns1 Amb25138875 [0,0,0,0,0,0|2,1,1]=4 38 B7R1.1 C#Cc1ccoc1 Amb25283258 [0,0,0,0,0,0|3,0,1]=4 39 B7R1.1 C#Cc1ccon1 Amb33168930 [0,0,0,0,0,0|3,0,1]=4 40 B7R1.1 C#Cc1ccsc1 Amb10603690 [0,0,0,0,0,0|3,0,1]=4 41 B7R1.1 C#Cc1ccsn1 Amb26347975 [0,0,0,0,0,0|3,0,1]=4 42 B7R1.1 C#Cc1cnco1 Amb26572112 [0,0,0,0,0,0|2,0,1]=3 43 B7R1.1 C#Cc1cncs1 Amb24071349 [0,0,0,0,0,0|2,1,1]=4 44 B7R1.1 C#Cc1cocn1 Amb26888554 [0,0,0,0,0,0|3,0,1]=4 45 B7R1.1 C#Cc1cscn1 Amb22284777 [0,0,0,0,0,0|3,0,1]=4 46 B7R1.1 C#Cc1nccs1 Amb22170067 [0,0,0,0,0,0|2,1,1]=4 47 B7R1.1 C=C[c-]1cccc1 Amb34916052 [0,0,0,0,0,0|2,0,2]=4 48 B7R1.1 C=Cc1ccco1 Amb22295842 [0,0,0,0,0,0|1,0,1]=2 49 B7R1.1 C=Cc1cccs1 Amb33542804 [0,0,0,0,0,0|1,1,1]=3 50 B7R1.1 C=Cc1ccns1 Amb26936370 [0,0,0,0,0,0|2,1,1]=4 51 B7R1.1 C=Cc1ccoc1 Amb24056798 [0,0,0,0,0,0|3,0,1]=4 52 B7R1.1 C=Cc1ccon1 Amb33197567 [0,0,0,0,0,0|3,0,1]=4 53 B7R1.1 C=Cc1ccsc1 Amb22263008 [0,0,0,0,0,0|3,0,1]=4 54 B7R1.1 C=Cc1cnco1 Amb26628199 [0,0,0,0,0,0|2,0,1]=3 55 B7R1.1 C=Cc1cncs1 Amb24395972 [0,0,0,0,0,0|2,1,1]=4 56 B7R1.1 C=Cc1nccs1 Amb24056329 [0,0,0,0,0,0|2,1,1]=4 57 B7R1.1 C=Cn1cccc1 Amb25810319 [0,0,0,0,0,0|3,0,1]=4 58 B7R1.1 C=Cn1cccn1 Amb24583489 [0,0,0,0,0,0|3,0,1]=4 59 B7R1.1 CCC1=CCCC1 Amb4035875 [0,0,0,0,0,0|2,0,2]=4 60 B7R1.1 CCC1=NCCO1 Amb8513557 [0,0,0,0,0,0|2,0,2]=4 61 B7R1.1 CCC1C=CC=C1 Amb2227637 [0,0,0,0,0,0|2,0,1]=3 62 B7R1.1 CCC1C=CCC1 Amb4020582 [0,0,0,0,0,0|2,0,2]=4 63 B7R1.1 CCC1C=CCN1 Amb10608188 [0,0,0,0,0,0|2,0,2]=4 64 B7R1.1 CCC1C=CCN1 Amb22587170 [0,0,0,0,0,0|2,0,2]=4 65 B7R1.1 CCC1CC=CC1 Amb30033009 [0,0,0,0,0,0|2,0,2]=4 66 B7R1.1 CCC1NC=CS1 Amb27167609 [0,0,0,0,0,0|2,1,1]=4 67 B7R1.1 CC[c-]1cccc1 Amb34916048 [0,0,0,0,0,0|2,0,1]=3 68 B7R1.1 CCc1ccco1 Amb8393153 [0,0,0,0,0,0|1,0,0]=1 69 B7R1.1 CCc1cccs1 Amb2687955 [0,0,0,0,0,0|1,1,0]=2 70 B7R1.1 CCc1ccoc1 Amb28059964 [0,0,0,0,0,0|3,0,0]=3 71 B7R1.1 CCc1ccsc1 Amb2687956 [0,0,0,0,0,0|3,0,0]=3 72 B7R1.1 CCc1cnco1 Amb22490969 [0,0,0,0,0,0|2,0,0]=2 73 B7R1.1 CCc1cncs1 Amb25663104 [0,0,0,0,0,0|2,1,0]=3 74 B7R1.1 CCc1cnns1 Amb27949026 [0,0,0,0,0,0|3,1,0]=4 75 B7R1.1 CCc1cnsc1 Amb32670956 [0,0,0,0,0,0|4,0,0]=4 76 B7R1.1 CCc1cocn1 Amb25073231 [0,0,0,0,0,0|3,0,0]=3 77 B7R1.1 CCc1cscn1 Amb13884091 [0,0,0,0,0,0|3,0,0]=3 78 B7R1.1 CCc1ncco1 Amb17399786 [0,0,0,0,0,0|2,0,0]=2 79 B7R1.1 CCc1nccs1 Amb10601013 [0,0,0,0,0,0|2,1,0]=3 80 B7R1.1 CCc1nnco1 Amb2208686 [0,0,0,0,0,0|3,0,0]=3 81 B7R1.1 CCn1cccc1 Amb2687940 [0,0,0,0,0,0|3,0,0]=3 82 B7R1.1 CCn1cccn1 Amb1934294 [0,0,0,0,0,0|3,0,0]=3 83 B7R1.1 CCn1ccnc1 Amb7093335 [0,0,0,0,0,0|4,0,0]=4 84 B7R1.1 CCn1ccnn1 Amb23441596 [0,0,0,0,0,0|4,0,0]=4 85 B7R1.1 CCn1cncn1 Amb8386342 [0,0,0,0,0,0|4,0,0]=4 86 B7R1.1 CNc1ccon1 Amb18281002 [0,0,0,0,0,0|4,0,0]=4 87 B7R1.1 CNc1ccon1 Amb30584677 [0,0,0,0,0,0|4,0,0]=4 88 B7R1.1 CNc1ccsc1 Amb20620164 [0,0,0,0,0,0|4,0,0]=4 89 B7R1.1 CNc1ccsc1 Amb28827635 [0,0,0,0,0,0|4,0,0]=4 90 B7R1.1 CNc1ccsn1 Amb25063572 [0,0,0,0,0,0|4,0,0]=4 91 B7R1.1 CNc1cnco1 Amb22490689 [0,0,0,0,0,0|3,0,0]=3 92 B7R1.1 CNc1cnco1 Amb25932132 [0,0,0,0,0,0|3,0,0]=3 93 B7R1.1 CNc1cncs1 Amb22492450 [0,0,0,0,0,0|3,1,0]=4 94 B7R1.1 CNc1ncco1 Amb21856873 [0,0,0,0,0,0|3,0,0]=3 95 B7R1.1 CNc1nccs1 Amb6620126 [0,0,0,0,0,0|3,1,0]=4 96 B7R1.1 CNc1nnco1 Amb24117942 [0,0,0,0,0,0|4,0,0]=4 97 B7R1.1 COC1=NCC=C1 Amb27877548 [0,0,0,0,0,0|3,0,1]=4 98 B7R1.1 COc1ccco1 Amb8513561 [0,0,0,0,0,0|2,0,0]=2 99 B7R1.1 COc1cccs1 Amb2689282 [0,0,0,0,0,0|2,1,0]=3 100 B7R1.1 COc1ccno1 Amb27591646 [0,0,0,0,0,0|3,0,0]=3 101 B7R1.1 COc1ccsc1 Amb8517358 [0,0,0,0,0,0|4,0,0]=4 102 B7R1.1 COc1ccsn1 Amb23592267 [0,0,0,0,0,0|4,0,0]=4 103 B7R1.1 COc1cncs1 Amb28050388 [0,0,0,0,0,0|3,1,0]=4 104 B7R1.1 COc1cocn1 Amb27445542 [0,0,0,0,0,0|4,0,0]=4 105 B7R1.1 COc1nccs1 Amb2447656 [0,0,0,0,0,0|3,1,0]=4 106 B7R1.1 CSc1ccco1 Amb21961438 [0,0,0,0,0,0|2,0,0]=2 107 B7R1.1 CSc1cccs1 Amb2724421 [0,0,0,0,0,0|2,1,0]=3 108 B7R1.1 CSc1ccno1 Amb27781087 [0,0,0,0,0,0|3,0,0]=3 109 B7R1.1 CSc1ccsc1 Amb2780309 [0,0,0,0,0,0|4,0,0]=4 110 B7R1.1 CSc1cncs1 Amb26647426 [0,0,0,0,0,0|3,1,0]=4 111 B7R1.1 CSc1ncco1 Amb21961333 [0,0,0,0,0,0|3,0,0]=3 112 B7R1.1 CSc1nccs1 Amb2689744 [0,0,0,0,0,0|3,1,0]=4 113 B7R1.1 C[Se]c1ccsc1 Amb17779305 [0,0,0,0,0,0|4,0,0]=4 114 B7R1.1 C[SiH2]c1ccco1 Amb28368539 [0,0,0,0,0,0|1,1,0]=2 115 B7R1.1 ClCC1=NCCO1 Amb24599141 [0,0,0,0,0,0|2,0,2]=4 116 B7R1.1 ClCC1CC=CC1 Amb25059951 [0,0,0,0,0,0|2,0,2]=4 117 B7R1.1 ClCc1cccs1 Amb6717230 [0,0,0,0,0,0|1,1,0]=2 118 B7R1.1 ClCc1ccno1 Amb1090466 [0,0,0,0,0,0|2,0,0]=2 119 B7R1.1 ClCc1ccns1 Amb26494109 [0,0,0,0,0,0|2,1,0]=3 120 B7R1.1 ClCc1ccoc1 Amb8999150 [0,0,0,0,0,0|3,0,0]=3 121 B7R1.1 ClCc1ccon1 Amb1087842 [0,0,0,0,0,0|3,0,0]=3 122 B7R1.1 ClCc1ccsc1 Amb33528072 [0,0,0,0,0,0|3,0,0]=3 123 B7R1.1 ClCc1ccsn1 Amb25113916 [0,0,0,0,0,0|3,0,0]=3 124 B7R1.1 ClCc1cnco1 Amb21520456 [0,0,0,0,0,0|2,0,0]=2 125 B7R1.1 ClCc1cnco1 Amb33624970 [0,0,0,0,0,0|2,0,0]=2 126 B7R1.1 ClCc1cncs1 Amb18917909 [0,0,0,0,0,0|2,1,0]=3 127 B7R1.1 ClCc1cncs1 Amb33550110 [0,0,0,0,0,0|2,1,0]=3 128 B7R1.1 ClCc1cnns1 Amb22011657 [0,0,0,0,0,0|3,1,0]=4 129 B7R1.1 ClCc1cnon1 Amb25842967 [0,0,0,0,0,0|4,0,0]=4 130 B7R1.1 ClCc1cnsc1 Amb24382498 [0,0,0,0,0,0|4,0,0]=4 131 B7R1.1 ClCc1cnsn1 Amb28200411 [0,0,0,0,0,0|4,0,0]=4 132 B7R1.1 ClCc1cocn1 Amb21857138 [0,0,0,0,0,0|3,0,0]=3 133 B7R1.1 ClCc1cscn1 Amb1154587 [0,0,0,0,0,0|3,0,0]=3 134 B7R1.1 ClCc1cscn1 Amb2371224 [0,0,0,0,0,0|3,0,0]=3 135 B7R1.1 ClCc1csnn1 Amb26479746 [0,0,0,0,0,0|4,0,0]=4 136 B7R1.1 ClCc1ncco1 Amb10602092 [0,0,0,0,0,0|2,0,0]=2 137 B7R1.1 ClCc1nccs1 Amb10603583 [0,0,0,0,0,0|2,1,0]=3 138 B7R1.1 ClCc1nccs1 Amb21857625 [0,0,0,0,0,0|2,1,0]=3 139 B7R1.1 ClCc1ncno1 Amb6892634 [0,0,0,0,0,0|3,0,0]=3 140 B7R1.1 ClCc1ncon1 Amb1672620 [0,0,0,0,0,0|4,0,0]=4 141 B7R1.1 ClCc1nnco1 Amb33529535 [0,0,0,0,0,0|3,0,0]=3 142 B7R1.1 ClCc1nncs1 Amb27452934 [0,0,0,0,0,0|3,1,0]=4 143 B7R1.1 ClCn1cccn1 Amb10601542 [0,0,0,0,0,0|3,0,0]=3 144 B7R1.1 ClCn1cccn1 Amb25084521 [0,0,0,0,0,0|3,0,0]=3 145 B7R1.1 ClCn1ccnc1 Amb28059300 [0,0,0,0,0,0|4,0,0]=4 146 B7R1.1 ClCn1ccnn1 Amb28457455 [0,0,0,0,0,0|4,0,0]=4 147 B7R1.1 ClCn1cncn1 Amb8496587 [0,0,0,0,0,0|4,0,0]=4 148 B7R1.1 ClCn1nccn1 Amb25147613 [0,0,0,0,0,0|4,0,0]=4 149 B7R1.1 ClSc1nccs1 Amb27962460 [0,0,0,0,0,0|3,1,0]=4 150 B7R1.1 Cl[SiH2]c1nccs1 Amb27482094 [0,0,0,0,0,0|2,2,0]=4 151 B7R1.1 FCc1cccs1 Amb26568225 [0,0,0,0,0,0|1,1,0]=2 152 B7R1.1 FCn1cccn1 Amb32428321 [0,0,0,0,0,0|3,0,0]=3 153 B7R1.1 FCn1ccnc1 Amb27862723 [0,0,0,0,0,0|4,0,0]=4 154 B7R1.1 ICC1=CCCC1 Amb27838217 [0,0,0,0,0,0|2,0,2]=4 155 B7R1.1 ICc1ccns1 Amb35678895 [0,0,0,0,0,0|2,1,0]=3 156 B7R1.1 ICc1ccon1 Amb27838230 [0,0,0,0,0,0|3,0,0]=3 157 B7R1.1 ICc1cnns1 Amb27457314 [0,0,0,0,0,0|3,1,0]=4 158 B7R1.1 ICc1nccs1 Amb24641632 [0,0,0,0,0,0|2,1,0]=3 159 B7R1.1 I[Zn]c1ccsc1 Amb6300273 [0,0,0,0,0,0|4,0,0]=4 160 B7R1.1 N#CC1=CCCO1 Amb19149010 [0,0,0,0,0,0|1,0,3]=4 161 B7R1.1 N#CC1=NCC=C1 Amb27438641 [0,0,0,0,0,0|2,0,2]=4 162 B7R1.1 N#Cc1ccco1 Amb1694826 [0,0,0,0,0,0|1,0,1]=2 163 B7R1.1 N#Cc1cccs1 Amb1154392 [0,0,0,0,0,0|1,1,1]=3 164 B7R1.1 N#Cc1ccno1 Amb22292333 [0,0,0,0,0,0|2,0,1]=3 165 B7R1.1 N#Cc1ccns1 Amb26350575 [0,0,0,0,0,0|2,1,1]=4 166 B7R1.1 N#Cc1ccoc1 Amb8514869 [0,0,0,0,0,0|3,0,1]=4 167 B7R1.1 N#Cc1ccon1 Amb8394613 [0,0,0,0,0,0|3,0,1]=4 168 B7R1.1 N#Cc1ccsc1 Amb2725780 [0,0,0,0,0,0|3,0,1]=4 169 B7R1.1 N#Cc1ccsn1 Amb19894959 [0,0,0,0,0,0|3,0,1]=4 170 B7R1.1 N#Cc1cnco1 Amb21520457 [0,0,0,0,0,0|2,0,1]=3 171 B7R1.1 N#Cc1cncs1 Amb10602916 [0,0,0,0,0,0|2,1,1]=4 172 B7R1.1 N#Cc1cocn1 Amb10071472 [0,0,0,0,0,0|3,0,1]=4 173 B7R1.1 N#Cc1cscn1 Amb2608229 [0,0,0,0,0,0|3,0,1]=4 174 B7R1.1 N#Cc1ncco1 Amb19889630 [0,0,0,0,0,0|2,0,1]=3 175 B7R1.1 N#Cc1nccs1 Amb19957521 [0,0,0,0,0,0|2,1,1]=4 176 B7R1.1 NCC1=CCCC1 Amb18120760 [0,0,0,0,0,0|2,0,2]=4 177 B7R1.1 NCC1=CCNC1 Amb24714742 [0,0,0,0,0,0|3,0,1]=4 178 B7R1.1 NCC1=CCSC1 Amb35743801 [0,0,0,0,0,0|3,0,1]=4 179 B7R1.1 NCC1=NCCO1 Amb25938147 [0,0,0,0,0,0|2,0,2]=4 180 B7R1.1 NCC1C=CCC1 Amb18119742 [0,0,0,0,0,0|2,0,2]=4 181 B7R1.1 NCC1C=CCC1 Amb30584689 [0,0,0,0,0,0|2,0,2]=4 182 B7R1.1 NCC1CC=CC1 Amb22301490 [0,0,0,0,0,0|2,0,2]=4 183 B7R1.1 NCc1ccco1 Amb2720356 [0,0,0,0,0,0|1,0,0]=1 184 B7R1.1 NCc1ccco1 Amb29847168 [0,0,0,0,0,0|1,0,0]=1 185 B7R1.1 NCc1cccs1 Amb20622043 [0,0,0,0,0,0|1,1,0]=2 186 B7R1.1 NCc1cccs1 Amb2720340 [0,0,0,0,0,0|1,1,0]=2 187 B7R1.1 NCc1ccno1 Amb10604134 [0,0,0,0,0,0|2,0,0]=2 188 B7R1.1 NCc1ccno1 Amb8009402 [0,0,0,0,0,0|2,0,0]=2 189 B7R1.1 NCc1ccns1 Amb23441021 [0,0,0,0,0,0|2,1,0]=3 190 B7R1.1 NCc1ccns1 Amb28827633 [0,0,0,0,0,0|2,1,0]=3 191 B7R1.1 NCc1ccns1 Amb32667329 [0,0,0,0,0,0|2,1,0]=3 192 B7R1.1 NCc1ccoc1 Amb2723044 [0,0,0,0,0,0|3,0,0]=3 193 B7R1.1 NCc1ccoc1 Amb2723045 [0,0,0,0,0,0|3,0,0]=3 194 B7R1.1 NCc1ccon1 Amb20241091 [0,0,0,0,0,0|3,0,0]=3 195 B7R1.1 NCc1ccon1 Amb9767622 [0,0,0,0,0,0|3,0,0]=3 196 B7R1.1 NCc1ccsc1 Amb1140991 [0,0,0,0,0,0|3,0,0]=3 197 B7R1.1 NCc1ccsc1 Amb6487448 [0,0,0,0,0,0|3,0,0]=3 198 B7R1.1 NCc1ccsn1 Amb18203360 [0,0,0,0,0,0|3,0,0]=3 199 B7R1.1 NCc1ccsn1 Amb32662546 [0,0,0,0,0,0|3,0,0]=3 200 B7R1.1 NCc1cnco1 Amb10604053 [0,0,0,0,0,0|2,0,0]=2 201 B7R1.1 NCc1cnco1 Amb23400902 [0,0,0,0,0,0|2,0,0]=2 202 B7R1.1 NCc1cnco1 Amb8009401 [0,0,0,0,0,0|2,0,0]=2 203 B7R1.1 NCc1cncs1 Amb1087821 [0,0,0,0,0,0|2,1,0]=3 204 B7R1.1 NCc1cncs1 Amb13883008 [0,0,0,0,0,0|2,1,0]=3 205 B7R1.1 NCc1cncs1 Amb13891841 [0,0,0,0,0,0|2,1,0]=3 206 B7R1.1 NCc1cnns1 Amb26556609 [0,0,0,0,0,0|3,1,0]=4 207 B7R1.1 NCc1cnoc1 Amb21964650 [0,0,0,0,0,0|4,0,0]=4 208 B7R1.1 NCc1cnoc1 Amb22000877 [0,0,0,0,0,0|4,0,0]=4 209 B7R1.1 NCc1cnoc1 Amb6256589 [0,0,0,0,0,0|4,0,0]=4 210 B7R1.1 NCc1cnon1 Amb30584678 [0,0,0,0,0,0|4,0,0]=4 211 B7R1.1 NCc1cnon1 Amb8009403 [0,0,0,0,0,0|4,0,0]=4 212 B7R1.1 NCc1cnsc1 Amb33295166 [0,0,0,0,0,0|4,0,0]=4 213 B7R1.1 NCc1cnsc1 Amb33457922 [0,0,0,0,0,0|4,0,0]=4 214 B7R1.1 NCc1cnsc1 Amb8010506 [0,0,0,0,0,0|4,0,0]=4 215 B7R1.1 NCc1cnsn1 Amb25858733 [0,0,0,0,0,0|4,0,0]=4 216 B7R1.1 NCc1cnsn1 Amb32652888 [0,0,0,0,0,0|4,0,0]=4 217 B7R1.1 NCc1cocn1 Amb10603799 [0,0,0,0,0,0|3,0,0]=3 218 B7R1.1 NCc1cocn1 Amb8009400 [0,0,0,0,0,0|3,0,0]=3 219 B7R1.1 NCc1cscn1 Amb22586640 [0,0,0,0,0,0|3,0,0]=3 220 B7R1.1 NCc1cscn1 Amb22750751 [0,0,0,0,0,0|3,0,0]=3 221 B7R1.1 NCc1cscn1 Amb8009707 [0,0,0,0,0,0|3,0,0]=3 222 B7R1.1 NCc1csnn1 Amb19374612 [0,0,0,0,0,0|4,0,0]=4 223 B7R1.1 NCc1csnn1 Amb9528962 [0,0,0,0,0,0|4,0,0]=4 224 B7R1.1 NCc1ncco1 Amb19929809 [0,0,0,0,0,0|2,0,0]=2 225 B7R1.1 NCc1ncco1 Amb8009700 [0,0,0,0,0,0|2,0,0]=2 226 B7R1.1 NCc1nccs1 Amb17935776 [0,0,0,0,0,0|2,1,0]=3 227 B7R1.1 NCc1nccs1 Amb2684480 [0,0,0,0,0,0|2,1,0]=3 228 B7R1.1 NCc1nccs1 Amb5740479 [0,0,0,0,0,0|2,1,0]=3 229 B7R1.1 NCc1ncno1 Amb33328549 [0,0,0,0,0,0|3,0,0]=3 230 B7R1.1 NCc1ncno1 Amb8009404 [0,0,0,0,0,0|3,0,0]=3 231 B7R1.1 NCc1ncon1 Amb16230506 [0,0,0,0,0,0|4,0,0]=4 232 B7R1.1 NCc1ncon1 Amb19275267 [0,0,0,0,0,0|4,0,0]=4 233 B7R1.1 NCc1nnco1 Amb22756572 [0,0,0,0,0,0|3,0,0]=3 234 B7R1.1 NCc1nnco1 Amb5294921 [0,0,0,0,0,0|3,0,0]=3 235 B7R1.1 NCc1nncs1 Amb23439704 [0,0,0,0,0,0|3,1,0]=4 236 B7R1.1 NCc1nncs1 Amb30584679 [0,0,0,0,0,0|3,1,0]=4 237 B7R1.1 NCn1cccc1 Amb27202741 [0,0,0,0,0,0|3,0,0]=3 238 B7R1.1 NNC1=CCCO1 Amb27461530 [0,0,0,0,0,0|2,0,2]=4 239 B7R1.1 NNc1ccco1 Amb18203069 [0,0,0,0,0,0|2,0,0]=2 240 B7R1.1 NNc1cccs1 Amb18203361 [0,0,0,0,0,0|2,1,0]=3 241 B7R1.1 NNc1ccon1 Amb28367341 [0,0,0,0,0,0|4,0,0]=4 242 B7R1.1 NNc1ncco1 Amb18120860 [0,0,0,0,0,0|3,0,0]=3 243 B7R1.1 NNc1nccs1 Amb1120140 [0,0,0,0,0,0|3,1,0]=4 244 B7R1.1 NNc1nccs1 Amb22757179 [0,0,0,0,0,0|3,1,0]=4 245 B7R1.1 N\C=C1\C=CC=N1 Amb27623643 [0,0,0,0,0,0|2,0,1]=3 246 B7R1.1 N\C=C1\C=CN=C1 Amb28368683 [0,0,0,0,0,0|3,0,1]=4 247 B7R1.1 O=C=C1CC=CN1 Amb27851531 [0,0,0,0,0,0|1,0,3]=4 248 B7R1.1 O=C=C1NC=CN1 Amb27209383 [0,0,0,0,0,0|2,0,2]=4 249 B7R1.1 O=CC1=CC=CC1 Amb25799627 [0,0,0,0,0,0|1,0,2]=3 250 B7R1.1 O=CC1=CCCO1 Amb18120782 [0,0,0,0,0,0|0,0,4]=4 251 B7R1.1 O=CC1C=CC=C1 Amb27408563 [0,0,0,0,0,0|1,0,3]=4 252 B7R1.1 O=C[c-]1cccc1 Amb22168256 [0,0,0,0,0,0|1,0,3]=4 253 B7R1.1 O=C[c-]1cccc1 Amb33801815 [0,0,0,0,0,0|1,0,3]=4 254 B7R1.1 O=Cc1ccco1 Amb2720358 [0,0,0,0,0,0|0,0,2]=2 255 B7R1.1 O=Cc1cccs1 Amb2690601 [0,0,0,0,0,0|0,1,2]=3 256 B7R1.1 O=Cc1ccno1 Amb33546951 [0,0,0,0,0,0|1,0,2]=3 257 B7R1.1 O=Cc1ccns1 Amb8010934 [0,0,0,0,0,0|1,1,2]=4 258 B7R1.1 O=Cc1ccoc1 Amb2720357 [0,0,0,0,0,0|2,0,2]=4 259 B7R1.1 O=Cc1ccon1 Amb8009575 [0,0,0,0,0,0|2,0,2]=4 260 B7R1.1 O=Cc1ccsc1 Amb2720343 [0,0,0,0,0,0|2,0,2]=4 261 B7R1.1 O=Cc1ccsn1 Amb8010932 [0,0,0,0,0,0|2,0,2]=4 262 B7R1.1 O=Cc1cnco1 Amb8010823 [0,0,0,0,0,0|1,0,2]=3 263 B7R1.1 O=Cc1cncs1 Amb2455730 [0,0,0,0,0,0|1,1,2]=4 264 B7R1.1 O=Cc1cnno1 Amb8010941 [0,0,0,0,0,0|2,0,2]=4 265 B7R1.1 O=Cc1cocn1 Amb8010935 [0,0,0,0,0,0|2,0,2]=4 266 B7R1.1 O=Cc1cscn1 Amb2455729 [0,0,0,0,0,0|2,0,2]=4 267 B7R1.1 O=Cc1ncco1 Amb33544448 [0,0,0,0,0,0|1,0,2]=3 268 B7R1.1 O=Cc1nccs1 Amb2723140 [0,0,0,0,0,0|1,1,2]=4 269 B7R1.1 O=Cc1nnco1 Amb21856468 [0,0,0,0,0,0|2,0,2]=4 270 B7R1.1 OCC1=CC=CC1 Amb27457780 [0,0,0,0,0,0|1,0,0]=1 271 B7R1.1 OCC1=CCCC1 Amb24479891 [0,0,0,0,0,0|1,0,2]=3 272 B7R1.1 OCC1=CCSC1 Amb35606324 [0,0,0,0,0,0|2,0,1]=3 273 B7R1.1 OCC1=CNNS1 Amb28348522 [0,0,0,0,0,0|2,1,0]=3 274 B7R1.1 OCC1=COCC1 Amb27827039 [0,0,0,0,0,0|2,0,1]=3 275 B7R1.1 OCC1=CSCC1 Amb28345026 [0,0,0,0,0,0|2,0,1]=3 276 B7R1.1 OCC1=NCCN1 Amb27260047 [0,0,0,0,0,0|2,0,2]=4 277 B7R1.1 OCC1=NOCC1 Amb35746891 [0,0,0,0,0,0|2,0,2]=4 278 B7R1.1 OCC1C=CCC1 Amb23455253 [0,0,0,0,0,0|1,0,2]=3 279 B7R1.1 OCC1C=CCN1 Amb15701263 [0,0,0,0,0,0|1,0,2]=3 280 B7R1.1 OCC1C=CCN1 Amb32412123 [0,0,0,0,0,0|1,0,2]=3 281 B7R1.1 OCC1CC=CC1 Amb2695403 [0,0,0,0,0,0|1,0,2]=3 282 B7R1.1 OCC1CCCO1 Amb3939084 [0,0,0,0,0,0|0,0,4]=4 283 B7R1.1 OCC1COCO1 Amb8393650 [0,0,0,0,0,0|1,0,3]=4 284 B7R1.1 OCC1CSC=N1 Amb27206093 [0,0,0,0,0,0|2,0,2]=4 285 B7R1.1 OCC1OCCO1 Amb9786986 [0,0,0,0,0,0|1,0,3]=4 286 B7R1.1 OC[C@@H]1C=CCS1 Amb27594771 [0,0,0,0,0,0|0,1,2]=3 287 B7R1.1 OC[C@@H]1CCCO1 Amb10601543 [0,0,0,0,0,0|0,0,4]=4 288 B7R1.1 OC[C@@H]1OCCS1 Amb22748777 [0,0,0,0,0,0|1,0,3]=4 289 B7R1.1 OC[C@H]1CCCO1 Amb16185506 [0,0,0,0,0,0|0,0,4]=4 290 B7R1.1 OCc1ccco1 Amb837335 [0,0,0,0,0,0|0,0,0]=0 291 B7R1.1 OCc1cccs1 Amb837506 [0,0,0,0,0,0|0,1,0]=1 292 B7R1.1 OCc1ccno1 Amb33531764 [0,0,0,0,0,0|1,0,0]=1 293 B7R1.1 OCc1ccns1 Amb16185717 [0,0,0,0,0,0|1,1,0]=2 294 B7R1.1 OCc1ccoc1 Amb837377 [0,0,0,0,0,0|2,0,0]=2 295 B7R1.1 OCc1ccon1 Amb19515377 [0,0,0,0,0,0|2,0,0]=2 296 B7R1.1 OCc1ccsc1 Amb837384 [0,0,0,0,0,0|2,0,0]=2 297 B7R1.1 OCc1ccsn1 Amb22896461 [0,0,0,0,0,0|2,0,0]=2 298 B7R1.1 OCc1cnco1 Amb10070754 [0,0,0,0,0,0|1,0,0]=1 299 B7R1.1 OCc1cncs1 Amb2455733 [0,0,0,0,0,0|1,1,0]=2 300 B7R1.1 OCc1cnns1 Amb20241951 [0,0,0,0,0,0|2,1,0]=3 301 B7R1.1 OCc1cnoc1 Amb22011478 [0,0,0,0,0,0|3,0,0]=3 302 B7R1.1 OCc1cnon1 Amb22490829 [0,0,0,0,0,0|3,0,0]=3 303 B7R1.1 OCc1cnsc1 Amb22757389 [0,0,0,0,0,0|3,0,0]=3 304 B7R1.1 OCc1cnsn1 Amb26654307 [0,0,0,0,0,0|3,0,0]=3 305 B7R1.1 OCc1cocn1 Amb10071193 [0,0,0,0,0,0|2,0,0]=2 306 B7R1.1 OCc1cscn1 Amb32652998 [0,0,0,0,0,0|2,0,0]=2 307 B7R1.1 OCc1cscn1 Amb33531860 [0,0,0,0,0,0|2,0,0]=2 308 B7R1.1 OCc1csnn1 Amb7969618 [0,0,0,0,0,0|3,0,0]=3 309 B7R1.1 OCc1ncco1 Amb10071191 [0,0,0,0,0,0|1,0,0]=1 310 B7R1.1 OCc1nccs1 Amb2723142 [0,0,0,0,0,0|1,1,0]=2 311 B7R1.1 OCc1ncno1 Amb9421565 [0,0,0,0,0,0|2,0,0]=2 312 B7R1.1 OCc1ncns1 Amb28071735 [0,0,0,0,0,0|2,1,0]=3 313 B7R1.1 OCc1nnco1 Amb26393346 [0,0,0,0,0,0|2,0,0]=2 314 B7R1.1 OCc1nncs1 Amb23437041 [0,0,0,0,0,0|2,1,0]=3 315 B7R1.1 OCn1cccc1 Amb28400396 [0,0,0,0,0,0|2,0,0]=2 316 B7R1.1 OCn1cccn1 Amb10552412 [0,0,0,0,0,0|2,0,0]=2 317 B7R1.1 OCn1ccnc1 Amb5493972 [0,0,0,0,0,0|3,0,0]=3 318 B7R1.1 OCn1cncn1 Amb1085763 [0,0,0,0,0,0|3,0,0]=3 319 B7R1.1 ONc1ccco1 Amb27209570 [0,0,0,0,0,0|1,0,0]=1 320 B7R1.1 O\N=C1/C=CCC1 Amb27838262 [0,0,0,0,0,0|2,0,1]=3 321 B7R1.1 S=Cc1ccco1 Amb28368735 [0,0,0,0,0,0|0,1,1]=2 322 B7R1.1 S=Nc1nccs1 Amb27438253 [0,0,0,0,0,0|2,2,0]=4 323 B7R1.1 SCC1=CCSC1 Amb32788040 [0,0,0,0,0,0|2,1,1]=4 324 B7R1.1 SCC1CC=CC1 Amb30032288 [0,0,0,0,0,0|1,1,2]=4 325 B7R1.1 SCc1ccco1 Amb2688612 [0,0,0,0,0,0|0,1,0]=1 326 B7R1.1 SCc1cccs1 Amb3428574 [0,0,0,0,0,0|0,2,0]=2 327 B7R1.1 SCc1ccns1 Amb32788854 [0,0,0,0,0,0|1,2,0]=3 328 B7R1.1 SCc1ccoc1 Amb26593625 [0,0,0,0,0,0|2,1,0]=3 329 B7R1.1 SCc1ccon1 Amb23440702 [0,0,0,0,0,0|2,1,0]=3 330 B7R1.1 SCc1ccsc1 Amb28246879 [0,0,0,0,0,0|2,1,0]=3 331 B7R1.1 SCc1cnco1 Amb32788503 [0,0,0,0,0,0|1,1,0]=2 332 B7R1.1 SCc1cncs1 Amb18255772 [0,0,0,0,0,0|1,2,0]=3 333 B7R1.1 SCc1cnsc1 Amb32788440 [0,0,0,0,0,0|3,1,0]=4 334 B7R1.1 SCc1cocn1 Amb25941081 [0,0,0,0,0,0|2,1,0]=3 335 B7R1.1 SCc1cscn1 Amb17108587 [0,0,0,0,0,0|2,1,0]=3 336 B7R1.1 SCc1csnn1 Amb32788116 [0,0,0,0,0,0|3,1,0]=4 337 B7R1.1 SCc1nccs1 Amb25241320 [0,0,0,0,0,0|1,2,0]=3 338 B7R1.1 SCc1ncno1 Amb32650858 [0,0,0,0,0,0|2,1,0]=3 339 B7R1.1 SCc1ncon1 Amb25723940 [0,0,0,0,0,0|3,1,0]=4 340 B7R1.1 [C-]#[N+]c1ccco1 Amb27962733 [0,0,0,0,0,0|2,0,0]=2 341 B7R1.1 [C-]#[N+]c1ccoc1 Amb33449618 [0,0,0,0,0,0|4,0,0]=4 342 B7R1.1 [C-]#[N+]c1ccon1 Amb33198343 [0,0,0,0,0,0|4,0,0]=4 343 B7R1.1 [C-]#[N+]c1ccsc1 Amb33380765 [0,0,0,0,0,0|4,0,0]=4 344 B7R1.1 [C-]#[N+]c1cncs1 Amb33269805 [0,0,0,0,0,0|3,1,0]=4 345 B7R1.1 [C-]#[N+]c1cscn1 Amb33418132 [0,0,0,0,0,0|4,0,0]=4 346 B7R1.1 [C-]#[N+]c1ncco1 Amb33735207 [0,0,0,0,0,0|3,0,0]=3 347 B7R1.1 [C-]#[N+]c1nccs1 Amb25352023 [0,0,0,0,0,0|3,1,0]=4 348 B7R1.1 [N-]=[N+]=C1C=CC=N1 Amb27613195 [0,0,0,0,0,0|3,0,0]=3 349 B7R1.1 [N-]=[N+]=C1NC=CS1 Amb27613199 [0,0,0,0,0,0|3,1,0]=4 350 B6R1.2 BC1NC=CO1 Amb27424859 [1,0,0,0,0,0|2,0,1]=4 351 B6R1.2 Bc1ccco1 Amb28286917 [1,0,0,0,0,0|1,0,0]=2 352 B6R1.2 Bn1cccc1 Amb27463207 [1,0,0,0,0,0|3,0,0]=4 353 B6R1.2 BrC1=CCCO1 Amb24322605 [1,0,0,0,0,0|1,0,2]=4 354 B6R1.2 Brc1ccc[se]1 Amb21964756 [1,0,0,0,0,0|1,1,0]=3 355 B6R1.2 Brc1ccco1 Amb2723041 [1,0,0,0,0,0|1,0,0]=2 356 B6R1.2 Brc1cccs1 Amb2685504 [1,0,0,0,0,0|1,1,0]=3 357 B6R1.2 Brc1ccno1 Amb20242149 [1,0,0,0,0,0|2,0,0]=3 358 B6R1.2 Brc1ccns1 Amb33544135 [1,0,0,0,0,0|2,1,0]=4 359 B6R1.2 Brc1ccoc1 Amb2720289 [1,0,0,0,0,0|3,0,0]=4 360 B6R1.2 Brc1ccon1 Amb13890359 [1,0,0,0,0,0|3,0,0]=4 361 B6R1.2 Brc1ccsc1 Amb2685505 [1,0,0,0,0,0|3,0,0]=4 362 B6R1.2 Brc1ccsn1 Amb18828880 [1,0,0,0,0,0|3,0,0]=4 363 B6R1.2 Brc1cnco1 Amb24058248 [1,0,0,0,0,0|2,0,0]=3 364 B6R1.2 Brc1cnco1 Amb32667046 [1,0,0,0,0,0|2,0,0]=3 365 B6R1.2 Brc1cncs1 Amb2455804 [1,0,0,0,0,0|2,1,0]=4 366 B6R1.2 Brc1cocn1 Amb26843131 [1,0,0,0,0,0|3,0,0]=4 367 B6R1.2 Brc1cocn1 Amb32667192 [1,0,0,0,0,0|3,0,0]=4 368 B6R1.2 Brc1cscn1 Amb2447456 [1,0,0,0,0,0|3,0,0]=4 369 B6R1.2 Brc1ncco1 Amb10071482 [1,0,0,0,0,0|2,0,0]=3 370 B6R1.2 Brc1ncco1 Amb19514894 [1,0,0,0,0,0|2,0,0]=3 371 B6R1.2 Brc1nccs1 Amb535721 [1,0,0,0,0,0|2,1,0]=4 372 B6R1.2 Brc1nnco1 Amb28322838 [1,0,0,0,0,0|3,0,0]=4 373 B6R1.2 CC1=CC=CC1 Amb26338978 [1,0,0,0,0,0|1,0,0]=2 374 B6R1.2 CC1=CCCC1 Amb8513250 [1,0,0,0,0,0|1,0,2]=4 375 B6R1.2 CC1=CCCO1 Amb20621083 [1,0,0,0,0,0|0,0,2]=3 376 B6R1.2 CC1=CSCC1 Amb26495749 [1,0,0,0,0,0|2,0,1]=4 377 B6R1.2 CC1=NCCO1 Amb8395082 [1,0,0,0,0,0|1,0,2]=4 378 B6R1.2 CC1C=CCC1 Amb17674168 [1,0,0,0,0,0|1,0,2]=4 379 B6R1.2 CC1C=CCN1 Amb24120626 [1,0,0,0,0,0|1,0,2]=4 380 B6R1.2 CC1C=CCS1 Amb27847945 [1,0,0,0,0,0|0,1,2]=4 381 B6R1.2 CC1C=CNC1 Amb28040927 [1,0,0,0,0,0|2,0,1]=4 382 B6R1.2 CC1CC=CC1 Amb27492739 [1,0,0,0,0,0|1,0,2]=4 383 B6R1.2 CN1CC=CC1 Amb17938851 [1,0,0,0,0,0|2,0,1]=4 384 B6R1.2 Cc1ccco1 Amb2447070 [1,0,0,0,0,0|0,0,0]=1 385 B6R1.2 Cc1cccs1 Amb2447069 [1,0,0,0,0,0|0,1,0]=2 386 B6R1.2 Cc1ccno1 Amb33544333 [1,0,0,0,0,0|1,0,0]=2 387 B6R1.2 Cc1ccns1 Amb22734260 [1,0,0,0,0,0|1,1,0]=3 388 B6R1.2 Cc1ccoc1 Amb2447077 [1,0,0,0,0,0|2,0,0]=3 389 B6R1.2 Cc1ccon1 Amb4005631 [1,0,0,0,0,0|2,0,0]=3 390 B6R1.2 Cc1ccsc1 Amb2447071 [1,0,0,0,0,0|2,0,0]=3 391 B6R1.2 Cc1ccsn1 Amb20621563 [1,0,0,0,0,0|2,0,0]=3 392 B6R1.2 Cc1cnco1 Amb23403175 [1,0,0,0,0,0|1,0,0]=2 393 B6R1.2 Cc1cncs1 Amb8396856 [1,0,0,0,0,0|1,1,0]=3 394 B6R1.2 Cc1cnns1 Amb26586242 [1,0,0,0,0,0|2,1,0]=4 395 B6R1.2 Cc1cnoc1 Amb2697202 [1,0,0,0,0,0|3,0,0]=4 396 B6R1.2 Cc1cnon1 Amb19958318 [1,0,0,0,0,0|3,0,0]=4 397 B6R1.2 Cc1cnsc1 Amb22370679 [1,0,0,0,0,0|3,0,0]=4 398 B6R1.2 Cc1cnsn1 Amb9901751 [1,0,0,0,0,0|3,0,0]=4 399 B6R1.2 Cc1cocn1 Amb33544147 [1,0,0,0,0,0|2,0,0]=3 400 B6R1.2 Cc1cscn1 Amb1163532 [1,0,0,0,0,0|2,0,0]=3 401 B6R1.2 Cc1csnn1 Amb2722987 [1,0,0,0,0,0|3,0,0]=4 402 B6R1.2 Cc1ncco1 Amb17399783 [1,0,0,0,0,0|1,0,0]=2 403 B6R1.2 Cc1ncco1 Amb22757206 [1,0,0,0,0,0|1,0,0]=2 404 B6R1.2 Cc1nccs1 Amb2455765 [1,0,0,0,0,0|1,1,0]=3 405 B6R1.2 Cc1nnco1 Amb20171395 [1,0,0,0,0,0|2,0,0]=3 406 B6R1.2 ClC1=CCC=C1 Amb22584067 [1,0,0,0,0,0|2,0,1]=4 407 B6R1.2 Clc1ccco1 Amb27805575 [1,0,0,0,0,0|1,0,0]=2 408 B6R1.2 Clc1cccs1 Amb2686481 [1,0,0,0,0,0|1,1,0]=3 409 B6R1.2 Clc1ccoc1 Amb24333769 [1,0,0,0,0,0|3,0,0]=4 410 B6R1.2 Clc1ccon1 Amb33543597 [1,0,0,0,0,0|3,0,0]=4 411 B6R1.2 Clc1ccsc1 Amb2686482 [1,0,0,0,0,0|3,0,0]=4 412 B6R1.2 Clc1ccsn1 Amb21927817 [1,0,0,0,0,0|3,0,0]=4 413 B6R1.2 Clc1cncs1 Amb21864727 [1,0,0,0,0,0|2,1,0]=4 414 B6R1.2 Clc1cncs1 Amb33549695 [1,0,0,0,0,0|2,1,0]=4 415 B6R1.2 Clc1cscn1 Amb10602719 [1,0,0,0,0,0|3,0,0]=4 416 B6R1.2 Clc1ncco1 Amb22054705 [1,0,0,0,0,0|2,0,0]=3 417 B6R1.2 Clc1ncco1 Amb32655821 [1,0,0,0,0,0|2,0,0]=3 418 B6R1.2 Clc1nccs1 Amb2455949 [1,0,0,0,0,0|2,1,0]=4 419 B6R1.2 Cn1cccc1 Amb6608780 [1,0,0,0,0,0|2,0,0]=3 420 B6R1.2 Cn1cccn1 Amb1088902 [1,0,0,0,0,0|2,0,0]=3 421 B6R1.2 Cn1ccnc1 Amb22337441 [1,0,0,0,0,0|3,0,0]=4 422 B6R1.2 Cn1ccnc1 Amb2689449 [1,0,0,0,0,0|3,0,0]=4 423 B6R1.2 Cn1ccnn1 Amb13883817 [1,0,0,0,0,0|3,0,0]=4 424 B6R1.2 Cn1cncn1 Amb520877 [1,0,0,0,0,0|3,0,0]=4 425 B6R1.2 Cn1nccn1 Amb22491223 [1,0,0,0,0,0|3,0,0]=4 426 B6R1.2 Fc1ccco1 Amb27470402 [1,0,0,0,0,0|1,0,0]=2 427 B6R1.2 Fc1cccs1 Amb8388025 [1,0,0,0,0,0|1,1,0]=3 428 B6R1.2 Fc1ccoc1 Amb26369802 [1,0,0,0,0,0|3,0,0]=4 429 B6R1.2 Fc1ccsc1 Amb33543454 [1,0,0,0,0,0|3,0,0]=4 430 B6R1.2 Fc1cocn1 Amb27214748 [1,0,0,0,0,0|3,0,0]=4 431 B6R1.2 Fc1nccs1 Amb20621379 [1,0,0,0,0,0|2,1,0]=4 432 B6R1.2 IC1=CCCO1 Amb24322816 [1,0,0,0,0,0|1,0,2]=4 433 B6R1.2 IC1C=CC=C1 Amb25189843 [1,0,0,0,0,0|2,0,1]=4 434 B6R1.2 Ic1ccco1 Amb17672748 [1,0,0,0,0,0|1,0,0]=2 435 B6R1.2 Ic1cccs1 Amb2688889 [1,0,0,0,0,0|1,1,0]=3 436 B6R1.2 Ic1ccns1 Amb25136169 [1,0,0,0,0,0|2,1,0]=4 437 B6R1.2 Ic1ccoc1 Amb24686192 [1,0,0,0,0,0|3,0,0]=4 438 B6R1.2 Ic1ccsc1 Amb8393328 [1,0,0,0,0,0|3,0,0]=4 439 B6R1.2 Ic1ccsn1 Amb32685567 [1,0,0,0,0,0|3,0,0]=4 440 B6R1.2 Ic1cnco1 Amb33250373 [1,0,0,0,0,0|2,0,0]=3 441 B6R1.2 Ic1cncs1 Amb24087561 [1,0,0,0,0,0|2,1,0]=4 442 B6R1.2 Ic1cocn1 Amb24620615 [1,0,0,0,0,0|3,0,0]=4 443 B6R1.2 Ic1cocn1 Amb32684147 [1,0,0,0,0,0|3,0,0]=4 444 B6R1.2 Ic1cscn1 Amb22057367 [1,0,0,0,0,0|3,0,0]=4 445 B6R1.2 Ic1ncco1 Amb33547666 [1,0,0,0,0,0|2,0,0]=3 446 B6R1.2 Ic1nccs1 Amb6296420 [1,0,0,0,0,0|2,1,0]=4 447 B6R1.2 N=C1C=CNC1 Amb28135748 [1,0,0,0,0,0|3,0,0]=4 448 B6R1.2 N=C1NC=CS1 Amb22166858 [1,0,0,0,0,0|2,1,0]=4 449 B6R1.2 NC1=NCC=C1 Amb25208790 [1,0,0,0,0,0|2,0,1]=4 450 B6R1.2 N[c-]1cccc1 Amb34916047 [1,0,0,0,0,0|2,0,1]=4 451 B6R1.2 Nc1ccco1 Amb18203215 [1,0,0,0,0,0|1,0,0]=2 452 B6R1.2 Nc1ccno1 Amb33528297 [1,0,0,0,0,0|2,0,0]=3 453 B6R1.2 Nc1ccns1 Amb18203020 [1,0,0,0,0,0|2,1,0]=4 454 B6R1.2 Nc1ccns1 Amb28555333 [1,0,0,0,0,0|2,1,0]=4 455 B6R1.2 Nc1ccoc1 Amb22230735 [1,0,0,0,0,0|3,0,0]=4 456 B6R1.2 Nc1ccon1 Amb613464 [1,0,0,0,0,0|3,0,0]=4 457 B6R1.2 Nc1ccsc1 Amb13889594 [1,0,0,0,0,0|3,0,0]=4 458 B6R1.2 Nc1ccsc1 Amb17935671 [1,0,0,0,0,0|3,0,0]=4 459 B6R1.2 Nc1ccsc1 Amb19515444 [1,0,0,0,0,0|3,0,0]=4 460 B6R1.2 Nc1ccsc1 Amb22405919 [1,0,0,0,0,0|3,0,0]=4 461 B6R1.2 Nc1ccsn1 Amb22235783 [1,0,0,0,0,0|3,0,0]=4 462 B6R1.2 Nc1ccsn1 Amb33553648 [1,0,0,0,0,0|3,0,0]=4 463 B6R1.2 Nc1cnco1 Amb21962026 [1,0,0,0,0,0|2,0,0]=3 464 B6R1.2 Nc1cnco1 Amb21963496 [1,0,0,0,0,0|2,0,0]=3 465 B6R1.2 Nc1cncs1 Amb32664220 [1,0,0,0,0,0|2,1,0]=4 466 B6R1.2 Nc1cncs1 Amb8395996 [1,0,0,0,0,0|2,1,0]=4 467 B6R1.2 Nc1cncs1 Amb8631404 [1,0,0,0,0,0|2,1,0]=4 468 B6R1.2 Nc1cocn1 Amb22284836 [1,0,0,0,0,0|3,0,0]=4 469 B6R1.2 Nc1cscn1 Amb10600518 [1,0,0,0,0,0|3,0,0]=4 470 B6R1.2 Nc1cscn1 Amb22495658 [1,0,0,0,0,0|3,0,0]=4 471 B6R1.2 Nc1ncco1 Amb6751913 [1,0,0,0,0,0|2,0,0]=3 472 B6R1.2 Nc1nccs1 Amb2609403 [1,0,0,0,0,0|2,1,0]=4 473 B6R1.2 Nc1nccs1 Amb2707210 [1,0,0,0,0,0|2,1,0]=4 474 B6R1.2 Nc1ncno1 Amb18943952 [1,0,0,0,0,0|3,0,0]=4 475 B6R1.2 Nc1nnco1 Amb19516986 [1,0,0,0,0,0|3,0,0]=4 476 B6R1.2 Nn1cccc1 Amb2684521 [1,0,0,0,0,0|3,0,0]=4 477 B6R1.2 Nn1cccn1 Amb22233569 [1,0,0,0,0,0|3,0,0]=4 478 B6R1.2 O=C1C=CCC1 Amb4019519 [1,0,0,0,0,0|1,0,2]=4 479 B6R1.2 O=C1C=CCN1 Amb20241082 [1,0,0,0,0,0|1,0,2]=4 480 B6R1.2 O=C1C=CCO1 Amb2792769 [1,0,0,0,0,0|0,0,2]=3 481 B6R1.2 O=C1C=CCS1 Amb22336458 [1,0,0,0,0,0|0,1,2]=4 482 B6R1.2 O=C1C=CN=N1 Amb22230022 [1,0,0,0,0,0|2,0,1]=4 483 B6R1.2 O=C1C=CNN1 Amb19958916 [1,0,0,0,0,0|2,0,1]=4 484 B6R1.2 O=C1C=COC1 Amb24107591 [1,0,0,0,0,0|2,0,1]=4 485 B6R1.2 O=C1C=CSN1 Amb19895016 [1,0,0,0,0,0|2,0,1]=4 486 B6R1.2 O=C1C=CSS1 Amb27421370 [1,0,0,0,0,0|1,1,1]=4 487 B6R1.2 O=C1C=NCO1 Amb25786221 [1,0,0,0,0,0|1,0,2]=4 488 B6R1.2 O=C1CC=CC1 Amb2686649 [1,0,0,0,0,0|1,0,2]=4 489 B6R1.2 O=C1CC=CN1 Amb22235167 [1,0,0,0,0,0|1,0,2]=4 490 B6R1.2 O=C1CC=NO1 Amb27654112 [1,0,0,0,0,0|1,0,2]=4 491 B6R1.2 O=C1N=CC=N1 Amb25138138 [1,0,0,0,0,0|2,0,1]=4 492 B6R1.2 O=C1NC=CN1 Amb19516737 [1,0,0,0,0,0|2,0,1]=4 493 B6R1.2 O=C1NC=CO1 Amb20671008 [1,0,0,0,0,0|1,0,1]=3 494 B6R1.2 O=C1NC=CS1 Amb19271596 [1,0,0,0,0,0|1,1,1]=4 495 B6R1.2 O=C1NN=CO1 Amb20667671 [1,0,0,0,0,0|2,0,1]=4 496 B6R1.2 O=C1OC=CO1 Amb20239430 [1,0,0,0,0,0|1,0,1]=3 497 B6R1.2 O=S1C=CC=C1 Amb27787698 [1,0,0,0,0,0|2,0,1]=4 498 B6R1.2 OC1=NC=NC1 Amb26446352 [1,0,0,0,0,0|2,0,1]=4 499 B6R1.2 OC1C=CCC1 Amb33546881 [1,0,0,0,0,0|1,0,2]=4 500 B6R1.2 OC1C=CNN1 Amb33716474 [1,0,0,0,0,0|2,0,1]=4 501 B6R1.2 OC1CC=CC1 Amb2686648 [1,0,0,0,0,0|1,0,2]=4 502 B6R1.2 O[C@H]1C=CCC1 Amb28133982 [1,0,0,0,0,0|1,0,2]=4 503 B6R1.2 O[C@H]1C=COC1 Amb27242778 [1,0,0,0,0,0|2,0,1]=4 504 B6R1.2 Oc1ccco1 Amb25991417 [1,0,0,0,0,0|0,0,0]=1 505 B6R1.2 Oc1cccs1 Amb17201836 [1,0,0,0,0,0|0,1,0]=2 506 B6R1.2 Oc1ccon1 Amb33547602 [1,0,0,0,0,0|2,0,0]=3 507 B6R1.2 Oc1ccsc1 Amb16231253 [1,0,0,0,0,0|2,0,0]=3 508 B6R1.2 Oc1ccsn1 Amb22371253 [1,0,0,0,0,0|2,0,0]=3 509 B6R1.2 Oc1cnco1 Amb25301524 [1,0,0,0,0,0|1,0,0]=2 510 B6R1.2 Oc1cncs1 Amb10599639 [1,0,0,0,0,0|1,1,0]=3 511 B6R1.2 Oc1cnoc1 Amb24601068 [1,0,0,0,0,0|3,0,0]=4 512 B6R1.2 Oc1cnsc1 Amb33744137 [1,0,0,0,0,0|3,0,0]=4 513 B6R1.2 Oc1cnsn1 Amb1107309 [1,0,0,0,0,0|3,0,0]=4 514 B6R1.2 Oc1cscn1 Amb10600519 [1,0,0,0,0,0|2,0,0]=3 515 B6R1.2 Oc1csnn1 Amb33321615 [1,0,0,0,0,0|3,0,0]=4 516 B6R1.2 Oc1ncno1 Amb26965847 [1,0,0,0,0,0|2,0,0]=3 517 B6R1.2 Oc1nnco1 Amb22586631 [1,0,0,0,0,0|2,0,0]=3 518 B6R1.2 Oc1nncs1 Amb19516957 [1,0,0,0,0,0|2,1,0]=4 519 B6R1.2 On1cccn1 Amb10067876 [1,0,0,0,0,0|2,0,0]=3 520 B6R1.2 On1ccnc1 Amb10552377 [1,0,0,0,0,0|3,0,0]=4 521 B6R1.2 S=C1C=CCO1 Amb27971151 [1,0,0,0,0,0|0,1,1]=3 522 B6R1.2 S=C1C=CSS1 Amb19132030 [1,0,0,0,0,0|1,2,0]=4 523 B6R1.2 S=C1CC=CN1 Amb27239207 [1,0,0,0,0,0|1,1,1]=4 524 B6R1.2 S=C1NC=CN1 Amb19148165 [1,0,0,0,0,0|2,1,0]=4 525 B6R1.2 S=C1NC=CO1 Amb21936248 [1,0,0,0,0,0|1,1,0]=3 526 B6R1.2 S=C1NC=CS1 Amb22492748 [1,0,0,0,0,0|1,2,0]=4 527 B6R1.2 S=C1SC=CS1 Amb20001458 [1,0,0,0,0,0|1,2,0]=4 528 B6R1.2 Sc1ccco1 Amb26641519 [1,0,0,0,0,0|0,1,0]=2 529 B6R1.2 Sc1cccs1 Amb2689075 [1,0,0,0,0,0|0,2,0]=3 530 B6R1.2 Sc1ccoc1 Amb25979686 [1,0,0,0,0,0|2,1,0]=4 531 B6R1.2 Sc1ccon1 Amb26338955 [1,0,0,0,0,0|2,1,0]=4 532 B6R1.2 Sc1ccsc1 Amb16232450 [1,0,0,0,0,0|2,1,0]=4 533 B6R1.2 Sc1cocn1 Amb27966248 [1,0,0,0,0,0|2,1,0]=4 534 B6R1.2 Sc1cscn1 Amb24099741 [1,0,0,0,0,0|2,1,0]=4 535 B6R1.2 Sc1nccs1 Amb1137208 [1,0,0,0,0,0|1,2,0]=4 536 B6R1.2 Sc1nnco1 Amb8471779 [1,0,0,0,0,0|2,1,0]=4 537 B6R1.2 [SiH2]=C1NC=CN1 Amb27225499 [1,0,0,0,0,0|2,1,0]=4 538 B8R1.1 BrCc1cc(Br)co1 Amb25113984 [0,1,0,0,0,0|1,0,0]=2 539 B8R1.1 BrCc1cc(Br)cs1 Amb8835373 [0,1,0,0,0,0|1,1,0]=3 540 B8R1.1 BrCc1cc(Br)no1 Amb22233936 [0,1,0,0,0,0|2,0,0]=3 541 B8R1.1 BrCc1cc(Br)sn1 Amb27402409 [0,1,0,0,0,0|3,0,0]=4 542 B8R1.1 BrCc1ccc(Br)o1 Amb22498773 [0,1,0,0,0,0|1,0,0]=2 543 B8R1.1 BrCc1ccc(Br)s1 Amb22735998 [0,1,0,0,0,0|1,1,0]=3 544 B8R1.1 BrCc1cnc(Br)s1 Amb21963241 [0,1,0,0,0,0|2,1,0]=4 545 B8R1.1 BrCc1coc(Br)c1 Amb22736912 [0,1,0,0,0,0|3,0,0]=4 546 B8R1.1 BrCc1coc(I)n1 Amb27393546 [0,1,0,0,0,0|3,0,0]=4 547 B8R1.1 BrCc1csc(Br)c1 Amb7969572 [0,1,0,0,0,0|3,0,0]=4 548 B8R1.1 BrCc1csc(Br)n1 Amb22233677 [0,1,0,0,0,0|3,0,0]=4 549 B8R1.1 BrCc1nc(Br)cs1 Amb22886695 [0,1,0,0,0,0|2,1,0]=4 550 B8R1.1 BrCc1nc(Br)no1 Amb22002580 [0,1,0,0,0,0|3,0,0]=4 551 B8R1.1 BrCc1ncc(Br)o1 Amb25132633 [0,1,0,0,0,0|2,0,0]=3 552 B8R1.1 BrCc1ncc(Br)s1 Amb28204021 [0,1,0,0,0,0|2,1,0]=4 553 B8R1.1 BrCc1ncc(I)s1 Amb27866703 [0,1,0,0,0,0|2,1,0]=4 554 B8R1.1 Brc1cc(CI)cs1 Amb27451754 [0,1,0,0,0,0|3,0,0]=4 555 B8R1.1 C#Cc1cc(Br)co1 Amb24518887 [0,1,0,0,0,0|1,0,1]=3 556 B8R1.1 C#Cc1cc(Br)cs1 Amb25063735 [0,1,0,0,0,0|1,1,1]=4 557 B8R1.1 C#Cc1cc(C)cs1 Amb27958872 [0,1,0,0,0,0|1,1,1]=4 558 B8R1.1 C#Cc1cc(C)no1 Amb25772961 [0,1,0,0,0,0|2,0,1]=4 559 B8R1.1 C#Cc1cc(Cl)cs1 Amb28126067 [0,1,0,0,0,0|1,1,1]=4 560 B8R1.1 C#Cc1ccc(Br)o1 Amb25132971 [0,1,0,0,0,0|1,0,1]=3 561 B8R1.1 C#Cc1ccc(Br)s1 Amb27969154 [0,1,0,0,0,0|1,1,1]=4 562 B8R1.1 C#Cc1ccc(C)o1 Amb28048958 [0,1,0,0,0,0|1,0,1]=3 563 B8R1.1 C#Cc1ccc(C)s1 Amb26079182 [0,1,0,0,0,0|1,1,1]=4 564 B8R1.1 C#Cc1ccc(Cl)o1 Amb33258567 [0,1,0,0,0,0|1,0,1]=3 565 B8R1.1 C#Cc1ccc(Cl)s1 Amb21964540 [0,1,0,0,0,0|1,1,1]=4 566 B8R1.1 C#Cc1ccc(F)s1 Amb24269206 [0,1,0,0,0,0|1,1,1]=4 567 B8R1.1 C#Cc1ccc(F)s1 Amb26899798 [0,1,0,0,0,0|1,1,1]=4 568 B8R1.1 C#Cc1ccc(I)o1 Amb26627776 [0,1,0,0,0,0|1,0,1]=3 569 B8R1.1 C#Cc1ccc(I)s1 Amb27441968 [0,1,0,0,0,0|1,1,1]=4 570 B8R1.1 C=CC1=CNC(=S)O1 Amb27870307 [0,1,0,0,0,0|2,0,1]=4 571 B8R1.1 C=Cc1cc(Br)co1 Amb33431861 [0,1,0,0,0,0|1,0,1]=3 572 B8R1.1 C=Cc1cc(Br)cs1 Amb25742529 [0,1,0,0,0,0|1,1,1]=4 573 B8R1.1 C=Cc1cc(C)cs1 Amb27390688 [0,1,0,0,0,0|1,1,1]=4 574 B8R1.1 C=Cc1cc(C)no1 Amb26019314 [0,1,0,0,0,0|2,0,1]=4 575 B8R1.1 C=Cc1cc(Cl)cs1 Amb26887814 [0,1,0,0,0,0|1,1,1]=4 576 B8R1.1 C=Cc1ccc(Br)o1 Amb25264206 [0,1,0,0,0,0|1,0,1]=3 577 B8R1.1 C=Cc1ccc(Br)s1 Amb17594904 [0,1,0,0,0,0|1,1,1]=4 578 B8R1.1 C=Cc1ccc(C)o1 Amb22126655 [0,1,0,0,0,0|1,0,1]=3 579 B8R1.1 C=Cc1ccc(C)s1 Amb26496095 [0,1,0,0,0,0|1,1,1]=4 580 B8R1.1 C=Cc1ccc(Cl)o1 Amb25684642 [0,1,0,0,0,0|1,0,1]=3 581 B8R1.1 C=Cc1ccc(Cl)s1 Amb17672604 [0,1,0,0,0,0|1,1,1]=4 582 B8R1.1 C=Cc1ccc(N)o1 Amb27230225 [0,1,0,0,0,0|1,0,1]=3 583 B8R1.1 C=Cc1cnc(N)o1 Amb27793418 [0,1,0,0,0,0|2,0,1]=4 584 B8R1.1 CC1=CC(CO)SC1 Amb27197197 [0,1,0,0,0,0|0,1,2]=4 585 B8R1.1 CC1=CC[C@@H](CO)C1 Amb24481425 [0,1,0,0,0,0|1,0,2]=4 586 B8R1.1 CC1=C\C(=N\O)CC1 Amb28324785 [0,1,0,0,0,0|2,0,1]=4 587 B8R1.1 CC1=NOC(CO)C1 Amb9902086 [0,1,0,0,0,0|1,0,2]=4 588 B8R1.1 CC1=NO[C@H](CO)C1 Amb28455073 [0,1,0,0,0,0|1,0,2]=4 589 B8R1.1 CC1CC=C(CO)O1 Amb28400924 [0,1,0,0,0,0|0,0,2]=3 590 B8R1.1 CCC1=CC(=O)CC1 Amb25889297 [0,1,0,0,0,0|2,0,1]=4 591 B8R1.1 CCC1=CCC(=O)O1 Amb27974572 [0,1,0,0,0,0|1,0,1]=3 592 B8R1.1 CCC1=CCC(=O)S1 Amb27631498 [0,1,0,0,0,0|1,1,1]=4 593 B8R1.1 CCC1=CCC(C)=C1 Amb22229283 [0,1,0,0,0,0|2,0,1]=4 594 B8R1.1 CCC1=CNC(=N)S1 Amb19303419 [0,1,0,0,0,0|2,1,0]=4 595 B8R1.1 CCC1=CNC(=O)N1 Amb20669270 [0,1,0,0,0,0|3,0,0]=4 596 B8R1.1 CCC1=CSC(=O)N1 Amb26436769 [0,1,0,0,0,0|3,0,0]=4 597 B8R1.1 CCC1=CSC(=S)C1 Amb27215626 [0,1,0,0,0,0|3,0,0]=4 598 B8R1.1 CCC1=NNC(=S)O1 Amb33550757 [0,1,0,0,0,0|3,0,0]=4 599 B8R1.1 CCC1C=CC(=O)O1 Amb23571855 [0,1,0,0,0,0|1,0,1]=3 600 B8R1.1 CC[C@@H]1C=CC(=O)O1 Amb27954643 [0,1,0,0,0,0|1,0,1]=3 601 B8R1.1 CC[C@H]1C=CC(=O)O1 Amb28195329 [0,1,0,0,0,0|1,0,1]=3 602 B8R1.1 CCc1cc(Br)cs1 Amb20619491 [0,1,0,0,0,0|1,1,0]=3 603 B8R1.1 CCc1cc(Br)on1 Amb25790044 [0,1,0,0,0,0|3,0,0]=4 604 B8R1.1 CCc1cc(C)on1 Amb23590095 [0,1,0,0,0,0|3,0,0]=4 605 B8R1.1 CCc1cc(Cl)on1 Amb28067779 [0,1,0,0,0,0|3,0,0]=4 606 B8R1.1 CCc1cc(I)on1 Amb28065053 [0,1,0,0,0,0|3,0,0]=4 607 B8R1.1 CCc1cc(N)cs1 Amb18143965 [0,1,0,0,0,0|1,1,0]=3 608 B8R1.1 CCc1cc(N)no1 Amb10552510 [0,1,0,0,0,0|2,0,0]=3 609 B8R1.1 CCc1cc(N)ns1 Amb27239113 [0,1,0,0,0,0|2,1,0]=4 610 B8R1.1 CCc1cc(N)on1 Amb9205393 [0,1,0,0,0,0|3,0,0]=4 611 B8R1.1 CCc1cc(N)sn1 Amb18202941 [0,1,0,0,0,0|3,0,0]=4 612 B8R1.1 CCc1cc(O)no1 Amb22754624 [0,1,0,0,0,0|2,0,0]=3 613 B8R1.1 CCc1ccc(Br)o1 Amb10600653 [0,1,0,0,0,0|1,0,0]=2 614 B8R1.1 CCc1ccc(Br)s1 Amb10600651 [0,1,0,0,0,0|1,1,0]=3 615 B8R1.1 CCc1ccc(C)o1 Amb22235241 [0,1,0,0,0,0|1,0,0]=2 616 B8R1.1 CCc1ccc(C)s1 Amb15691670 [0,1,0,0,0,0|1,1,0]=3 617 B8R1.1 CCc1ccc(Cl)o1 Amb27162312 [0,1,0,0,0,0|1,0,0]=2 618 B8R1.1 CCc1ccc(Cl)s1 Amb25811685 [0,1,0,0,0,0|1,1,0]=3 619 B8R1.1 CCc1ccc(F)o1 Amb26028407 [0,1,0,0,0,0|1,0,0]=2 620 B8R1.1 CCc1ccc(F)s1 Amb27200756 [0,1,0,0,0,0|1,1,0]=3 621 B8R1.1 CCc1ccc(I)o1 Amb26597699 [0,1,0,0,0,0|1,0,0]=2 622 B8R1.1 CCc1ccc(I)s1 Amb24332471 [0,1,0,0,0,0|1,1,0]=3 623 B8R1.1 CCc1ccc(N)o1 Amb10600654 [0,1,0,0,0,0|1,0,0]=2 624 B8R1.1 CCc1ccc(N)s1 Amb10600652 [0,1,0,0,0,0|1,1,0]=3 625 B8R1.1 CCc1ccc(O)o1 Amb28370537 [0,1,0,0,0,0|1,0,0]=2 626 B8R1.1 CCc1ccc(O)s1 Amb20617898 [0,1,0,0,0,0|1,1,0]=3 627 B8R1.1 CCc1ccc(S)s1 Amb17939214 [0,1,0,0,0,0|1,1,0]=3 628 B8R1.1 CCc1ccn(C)n1 Amb19651438 [0,1,0,0,0,0|3,0,0]=4 629 B8R1.1 CCc1cn(C)cn1 Amb25749227 [0,1,0,0,0,0|3,0,0]=4 630 B8R1.1 CCc1cnc(Br)o1 Amb25830436 [0,1,0,0,0,0|2,0,0]=3 631 B8R1.1 CCc1cnc(Br)s1 Amb10600915 [0,1,0,0,0,0|2,1,0]=4 632 B8R1.1 CCc1cnc(C)o1 Amb27636741 [0,1,0,0,0,0|2,0,0]=3 633 B8R1.1 CCc1cnc(Cl)o1 Amb33039836 [0,1,0,0,0,0|2,0,0]=3 634 B8R1.1 CCc1cnc(Cl)s1 Amb13884346 [0,1,0,0,0,0|2,1,0]=4 635 B8R1.1 CCc1cnc(F)s1 Amb28049031 [0,1,0,0,0,0|2,1,0]=4 636 B8R1.1 CCc1cnc(I)s1 Amb25841619 [0,1,0,0,0,0|2,1,0]=4 637 B8R1.1 CCc1cnc(N)o1 Amb18947812 [0,1,0,0,0,0|2,0,0]=3 638 B8R1.1 CCc1cnc(N)s1 Amb19892881 [0,1,0,0,0,0|2,1,0]=4 639 B8R1.1 CCc1cnc(N)s1 Amb8384400 [0,1,0,0,0,0|2,1,0]=4 640 B8R1.1 CCc1cnc(O)s1 Amb13884345 [0,1,0,0,0,0|2,1,0]=4 641 B8R1.1 CCc1cnc(S)s1 Amb24463342 [0,1,0,0,0,0|2,1,0]=4 642 B8R1.1 CCc1coc(Br)c1 Amb10600657 [0,1,0,0,0,0|3,0,0]=4 643 B8R1.1 CCc1coc(Br)n1 Amb25986799 [0,1,0,0,0,0|3,0,0]=4 644 B8R1.1 CCc1coc(I)n1 Amb28138406 [0,1,0,0,0,0|3,0,0]=4 645 B8R1.1 CCc1coc(N)c1 Amb10600658 [0,1,0,0,0,0|3,0,0]=4 646 B8R1.1 CCc1coc(N)n1 Amb18946528 [0,1,0,0,0,0|3,0,0]=4 647 B8R1.1 CCc1csc(Br)c1 Amb10600655 [0,1,0,0,0,0|3,0,0]=4 648 B8R1.1 CCc1csc(Br)n1 Amb10600916 [0,1,0,0,0,0|3,0,0]=4 649 B8R1.1 CCc1csc(C)c1 Amb26515767 [0,1,0,0,0,0|3,0,0]=4 650 B8R1.1 CCc1csc(C)n1 Amb24459593 [0,1,0,0,0,0|3,0,0]=4 651 B8R1.1 CCc1csc(Cl)c1 Amb28041659 [0,1,0,0,0,0|3,0,0]=4 652 B8R1.1 CCc1csc(Cl)n1 Amb19314652 [0,1,0,0,0,0|3,0,0]=4 653 B8R1.1 CCc1csc(F)n1 Amb26979460 [0,1,0,0,0,0|3,0,0]=4 654 B8R1.1 CCc1csc(N)c1 Amb10600656 [0,1,0,0,0,0|3,0,0]=4 655 B8R1.1 CCc1csc(N)n1 Amb13884087 [0,1,0,0,0,0|3,0,0]=4 656 B8R1.1 CCc1csc(N)n1 Amb19373233 [0,1,0,0,0,0|3,0,0]=4 657 B8R1.1 CCc1csc(N)n1 Amb22587237 [0,1,0,0,0,0|3,0,0]=4 658 B8R1.1 CCc1csc(O)c1 Amb20617197 [0,1,0,0,0,0|3,0,0]=4 659 B8R1.1 CCc1csc(S)n1 Amb20179414 [0,1,0,0,0,0|3,0,0]=4 660 B8R1.1 CCc1nc(Br)cs1 Amb10599930 [0,1,0,0,0,0|2,1,0]=4 661 B8R1.1 CCc1nc(Br)no1 Amb15701617 [0,1,0,0,0,0|3,0,0]=4 662 B8R1.1 CCc1nc(C)cs1 Amb8515388 [0,1,0,0,0,0|2,1,0]=4 663 B8R1.1 CCc1nc(Cl)cs1 Amb25807436 [0,1,0,0,0,0|2,1,0]=4 664 B8R1.1 CCc1nc(Cl)no1 Amb15701619 [0,1,0,0,0,0|3,0,0]=4 665 B8R1.1 CCc1nc(F)cs1 Amb28203665 [0,1,0,0,0,0|2,1,0]=4 666 B8R1.1 CCc1nc(I)cs1 Amb26420268 [0,1,0,0,0,0|2,1,0]=4 667 B8R1.1 CCc1nc(N)cs1 Amb10599932 [0,1,0,0,0,0|2,1,0]=4 668 B8R1.1 CCc1nc(N)no1 Amb18833074 [0,1,0,0,0,0|3,0,0]=4 669 B8R1.1 CCc1nc(O)cs1 Amb10599933 [0,1,0,0,0,0|2,1,0]=4 670 B8R1.1 CCc1ncc(Br)o1 Amb25709768 [0,1,0,0,0,0|2,0,0]=3 671 B8R1.1 CCc1ncc(Br)s1 Amb10600222 [0,1,0,0,0,0|2,1,0]=4 672 B8R1.1 CCc1ncc(Br)s1 Amb22587370 [0,1,0,0,0,0|2,1,0]=4 673 B8R1.1 CCc1ncc(C)s1 Amb28060646 [0,1,0,0,0,0|2,1,0]=4 674 B8R1.1 CCc1ncc(F)s1 Amb28315697 [0,1,0,0,0,0|2,1,0]=4 675 B8R1.1 CCc1ncc(N)o1 Amb18559669 [0,1,0,0,0,0|2,0,0]=3 676 B8R1.1 CCc1ncc(N)s1 Amb10600224 [0,1,0,0,0,0|2,1,0]=4 677 B8R1.1 CCc1ncc(O)s1 Amb10600225 [0,1,0,0,0,0|2,1,0]=4 678 B8R1.1 CCc1nnc(Br)o1 Amb18564049 [0,1,0,0,0,0|3,0,0]=4 679 B8R1.1 CCc1nnc(C)o1 Amb27260954 [0,1,0,0,0,0|3,0,0]=4 680 B8R1.1 CCc1nnc(Cl)o1 Amb18063247 [0,1,0,0,0,0|3,0,0]=4 681 B8R1.1 CCc1nnc(N)o1 Amb33526454 [0,1,0,0,0,0|3,0,0]=4 682 B8R1.1 CCc1nnc(O)o1 Amb15701524 [0,1,0,0,0,0|3,0,0]=4 683 B8R1.1 CCc1nnc(S)o1 Amb841883 [0,1,0,0,0,0|3,0,0]=4 684 B8R1.1 CCn1cc(Br)cn1 Amb9133081 [0,1,0,0,0,0|3,0,0]=4 685 B8R1.1 CCn1cc(C)cn1 Amb23597149 [0,1,0,0,0,0|3,0,0]=4 686 B8R1.1 CCn1cc(Cl)cn1 Amb9173510 [0,1,0,0,0,0|3,0,0]=4 687 B8R1.1 CCn1cc(I)cn1 Amb16230353 [0,1,0,0,0,0|3,0,0]=4 688 B8R1.1 CCn1cc(N)cn1 Amb22587161 [0,1,0,0,0,0|3,0,0]=4 689 B8R1.1 CCn1cc(N)cn1 Amb2693436 [0,1,0,0,0,0|3,0,0]=4 690 B8R1.1 CCn1cc(N)cn1 Amb2721777 [0,1,0,0,0,0|3,0,0]=4 691 B8R1.1 CCn1cc(O)cn1 Amb1945379 [0,1,0,0,0,0|3,0,0]=4 692 B8R1.1 CCn1cc(S)cn1 Amb23447156 [0,1,0,0,0,0|3,0,0]=4 693 B8R1.1 CCn1ccc(Br)c1 Amb24317676 [0,1,0,0,0,0|3,0,0]=4 694 B8R1.1 CCn1ccc(Br)n1 Amb16230988 [0,1,0,0,0,0|3,0,0]=4 695 B8R1.1 CCn1ccc(C)n1 Amb1953494 [0,1,0,0,0,0|3,0,0]=4 696 B8R1.1 CCn1ccc(C)n1 Amb32656177 [0,1,0,0,0,0|3,0,0]=4 697 B8R1.1 CCn1ccc(Cl)n1 Amb27662934 [0,1,0,0,0,0|3,0,0]=4 698 B8R1.1 CCn1ccc(I)n1 Amb19929455 [0,1,0,0,0,0|3,0,0]=4 699 B8R1.1 CCn1ccc(N)c1 Amb24317669 [0,1,0,0,0,0|3,0,0]=4 700 B8R1.1 CCn1ccc(N)n1 Amb2178417 [0,1,0,0,0,0|3,0,0]=4 701 B8R1.1 CCn1ccc(N)n1 Amb33756940 [0,1,0,0,0,0|3,0,0]=4 702 B8R1.1 CCn1ccc(O)n1 Amb25332241 [0,1,0,0,0,0|3,0,0]=4 703 B8R1.1 CCn1ccc(S)n1 Amb33226608 [0,1,0,0,0,0|3,0,0]=4 704 B8R1.1 CN1CC=C(CO)C1 Amb27451263 [0,1,0,0,0,0|2,0,1]=4 705 B8R1.1 CN1CC=C(CO)O1 Amb27169900 [0,1,0,0,0,0|1,0,1]=3 706 B8R1.1 CNc1cc(Br)cs1 Amb18565046 [0,1,0,0,0,0|2,1,0]=4 707 B8R1.1 CNc1cc(C)no1 Amb9782138 [0,1,0,0,0,0|3,0,0]=4 708 B8R1.1 CNc1ccc(Br)s1 Amb18055073 [0,1,0,0,0,0|2,1,0]=4 709 B8R1.1 CNc1ccc(C)o1 Amb26495449 [0,1,0,0,0,0|2,0,0]=3 710 B8R1.1 COC1C=CC(=O)O1 Amb22490509 [0,1,0,0,0,0|2,0,1]=4 711 B8R1.1 COc1cc(Br)cs1 Amb25827956 [0,1,0,0,0,0|2,1,0]=4 712 B8R1.1 COc1cc(C)cs1 Amb28291371 [0,1,0,0,0,0|2,1,0]=4 713 B8R1.1 COc1cc(C)no1 Amb27441515 [0,1,0,0,0,0|3,0,0]=4 714 B8R1.1 COc1cc(Cl)no1 Amb535037 [0,1,0,0,0,0|3,0,0]=4 715 B8R1.1 COc1cc(N)no1 Amb10602950 [0,1,0,0,0,0|3,0,0]=4 716 B8R1.1 COc1ccc(Br)o1 Amb26320164 [0,1,0,0,0,0|2,0,0]=3 717 B8R1.1 COc1ccc(Br)s1 Amb18190248 [0,1,0,0,0,0|2,1,0]=4 718 B8R1.1 COc1ccc(C)o1 Amb27453708 [0,1,0,0,0,0|2,0,0]=3 719 B8R1.1 COc1ccc(C)s1 Amb25108498 [0,1,0,0,0,0|2,1,0]=4 720 B8R1.1 COc1ccc(Cl)o1 Amb27590171 [0,1,0,0,0,0|2,0,0]=3 721 B8R1.1 COc1ccc(F)o1 Amb25783067 [0,1,0,0,0,0|2,0,0]=3 722 B8R1.1 COc1ccc(I)o1 Amb25304106 [0,1,0,0,0,0|2,0,0]=3 723 B8R1.1 COc1ccc(I)s1 Amb25929678 [0,1,0,0,0,0|2,1,0]=4 724 B8R1.1 COc1ccc(N)o1 Amb18203371 [0,1,0,0,0,0|2,0,0]=3 725 B8R1.1 COc1ccc(O)o1 Amb27193653 [0,1,0,0,0,0|2,0,0]=3 726 B8R1.1 COc1ccc(S)o1 Amb28129937 [0,1,0,0,0,0|2,0,0]=3 727 B8R1.1 COc1cnc(C)o1 Amb27841869 [0,1,0,0,0,0|3,0,0]=4 728 B8R1.1 COc1cnc(N)o1 Amb27631701 [0,1,0,0,0,0|3,0,0]=4 729 B8R1.1 CSc1cc(Br)cs1 Amb25844408 [0,1,0,0,0,0|2,1,0]=4 730 B8R1.1 CSc1cc(C)co1 Amb27201776 [0,1,0,0,0,0|2,0,0]=3 731 B8R1.1 CSc1cc(C)cs1 Amb26016095 [0,1,0,0,0,0|2,1,0]=4 732 B8R1.1 CSc1cc(F)cs1 Amb27851629 [0,1,0,0,0,0|2,1,0]=4 733 B8R1.1 CSc1cc(N)no1 Amb27215449 [0,1,0,0,0,0|3,0,0]=4 734 B8R1.1 CSc1ccc(Br)s1 Amb26013080 [0,1,0,0,0,0|2,1,0]=4 735 B8R1.1 CSc1ccc(C)s1 Amb17672797 [0,1,0,0,0,0|2,1,0]=4 736 B8R1.1 CSc1ccc(Cl)s1 Amb25980290 [0,1,0,0,0,0|2,1,0]=4 737 B8R1.1 CSc1ncc(C)o1 Amb27963268 [0,1,0,0,0,0|3,0,0]=4 738 B8R1.1 C[C@H]1C=C(CO)CC1 Amb27452870 [0,1,0,0,0,0|1,0,2]=4 739 B8R1.1 C\C=C1/C=CC(=O)S1 Amb27638992 [0,1,0,0,0,0|1,1,1]=4 740 B8R1.1 Cc1[nH+]c(CCl)cs1 Amb24113844 [0,1,0,0,0,0|3,0,0]=4 741 B8R1.1 Cc1cc(C#N)on1 Amb15701525 [0,1,0,0,0,0|2,0,1]=4 742 B8R1.1 Cc1cc(C=O)on1 Amb6572035 [0,1,0,0,0,0|1,0,2]=4 743 B8R1.1 Cc1cc(CBr)cs1 Amb26875438 [0,1,0,0,0,0|3,0,0]=4 744 B8R1.1 Cc1cc(CBr)no1 Amb2723152 [0,1,0,0,0,0|3,0,0]=4 745 B8R1.1 Cc1cc(CBr)on1 Amb6572036 [0,1,0,0,0,0|2,0,0]=3 746 B8R1.1 Cc1cc(CBr)sn1 Amb27477962 [0,1,0,0,0,0|2,1,0]=4 747 B8R1.1 Cc1cc(CCl)cs1 Amb17093913 [0,1,0,0,0,0|3,0,0]=4 748 B8R1.1 Cc1cc(CCl)no1 Amb1154147 [0,1,0,0,0,0|3,0,0]=4 749 B8R1.1 Cc1cc(CCl)ns1 Amb28041284 [0,1,0,0,0,0|3,0,0]=4 750 B8R1.1 Cc1cc(CCl)on1 Amb449002 [0,1,0,0,0,0|2,0,0]=3 751 B8R1.1 Cc1cc(CCl)sn1 Amb32675104 [0,1,0,0,0,0|2,1,0]=4 752 B8R1.1 Cc1cc(CN)co1 Amb27252618 [0,1,0,0,0,0|3,0,0]=4 753 B8R1.1 Cc1cc(CN)cs1 Amb18202501 [0,1,0,0,0,0|3,0,0]=4 754 B8R1.1 Cc1cc(CN)no1 Amb2154782 [0,1,0,0,0,0|3,0,0]=4 755 B8R1.1 Cc1cc(CN)no1 Amb22586666 [0,1,0,0,0,0|3,0,0]=4 756 B8R1.1 Cc1cc(CN)no1 Amb2723153 [0,1,0,0,0,0|3,0,0]=4 757 B8R1.1 Cc1cc(CN)on1 Amb10610510 [0,1,0,0,0,0|2,0,0]=3 758 B8R1.1 Cc1cc(CN)on1 Amb1911547 [0,1,0,0,0,0|2,0,0]=3 759 B8R1.1 Cc1cc(CN)on1 Amb22284238 [0,1,0,0,0,0|2,0,0]=3 760 B8R1.1 Cc1cc(CN)sn1 Amb18138196 [0,1,0,0,0,0|2,1,0]=4 761 B8R1.1 Cc1cc(CO)co1 Amb22170482 [0,1,0,0,0,0|2,0,0]=3 762 B8R1.1 Cc1cc(CO)cs1 Amb6753843 [0,1,0,0,0,0|2,0,0]=3 763 B8R1.1 Cc1cc(CO)no1 Amb2688767 [0,1,0,0,0,0|2,0,0]=3 764 B8R1.1 Cc1cc(CO)ns1 Amb24456114 [0,1,0,0,0,0|2,0,0]=3 765 B8R1.1 Cc1cc(CO)on1 Amb24094149 [0,1,0,0,0,0|1,0,0]=2 766 B8R1.1 Cc1cc(CO)on1 Amb33531749 [0,1,0,0,0,0|1,0,0]=2 767 B8R1.1 Cc1cc(CO)sn1 Amb27756410 [0,1,0,0,0,0|1,1,0]=3 768 B8R1.1 Cc1cc(CS)cs1 Amb16628924 [0,1,0,0,0,0|2,1,0]=4 769 B8R1.1 Cc1cc(CS)no1 Amb26337599 [0,1,0,0,0,0|2,1,0]=4 770 B8R1.1 Cc1cc(CS)on1 Amb32650845 [0,1,0,0,0,0|1,1,0]=3 771 B8R1.1 Cc1cc(CS)sn1 Amb32788409 [0,1,0,0,0,0|1,2,0]=4 772 B8R1.1 Cc1ccc(C#N)o1 Amb1152445 [0,1,0,0,0,0|1,0,1]=3 773 B8R1.1 Cc1ccc(C#N)s1 Amb33527295 [0,1,0,0,0,0|1,1,1]=4 774 B8R1.1 Cc1ccc(C=O)o1 Amb1151338 [0,1,0,0,0,0|0,0,2]=3 775 B8R1.1 Cc1ccc(C=O)s1 Amb2447398 [0,1,0,0,0,0|0,1,2]=4 776 B8R1.1 Cc1ccc(CBr)o1 Amb16234119 [0,1,0,0,0,0|1,0,0]=2 777 B8R1.1 Cc1ccc(CBr)s1 Amb18325317 [0,1,0,0,0,0|1,1,0]=3 778 B8R1.1 Cc1ccc(CCl)o1 Amb6717232 [0,1,0,0,0,0|1,0,0]=2 779 B8R1.1 Cc1ccc(CCl)s1 Amb2592456 [0,1,0,0,0,0|1,1,0]=3 780 B8R1.1 Cc1ccc(CN)o1 Amb1124819 [0,1,0,0,0,0|1,0,0]=2 781 B8R1.1 Cc1ccc(CN)s1 Amb6255828 [0,1,0,0,0,0|1,1,0]=3 782 B8R1.1 Cc1ccc(CN)s1 Amb6572351 [0,1,0,0,0,0|1,1,0]=3 783 B8R1.1 Cc1ccc(CO)o1 Amb1856157 [0,1,0,0,0,0|0,0,0]=1 784 B8R1.1 Cc1ccc(CO)s1 Amb33528967 [0,1,0,0,0,0|0,1,0]=2 785 B8R1.1 Cc1ccc(CS)o1 Amb28128378 [0,1,0,0,0,0|0,1,0]=2 786 B8R1.1 Cc1ccc(CS)s1 Amb26023233 [0,1,0,0,0,0|0,2,0]=3 787 B8R1.1 Cc1ccc([SiH2]Cl)s1 Amb27488039 [0,1,0,0,0,0|1,2,0]=4 788 B8R1.1 Cc1ccn(CCl)n1 Amb21811926 [0,1,0,0,0,0|3,0,0]=4 789 B8R1.1 Cc1ccn(CO)n1 Amb4021250 [0,1,0,0,0,0|2,0,0]=3 790 B8R1.1 Cc1cn(CO)cn1 Amb28053909 [0,1,0,0,0,0|3,0,0]=4 791 B8R1.1 Cc1cnc(C#N)o1 Amb25080137 [0,1,0,0,0,0|2,0,1]=4 792 B8R1.1 Cc1cnc(C=O)o1 Amb8010965 [0,1,0,0,0,0|1,0,2]=4 793 B8R1.1 Cc1cnc(CBr)o1 Amb26069583 [0,1,0,0,0,0|2,0,0]=3 794 B8R1.1 Cc1cnc(CBr)s1 Amb26887833 [0,1,0,0,0,0|2,1,0]=4 795 B8R1.1 Cc1cnc(CCl)o1 Amb19375353 [0,1,0,0,0,0|2,0,0]=3 796 B8R1.1 Cc1cnc(CCl)s1 Amb16187170 [0,1,0,0,0,0|2,1,0]=4 797 B8R1.1 Cc1cnc(CN)o1 Amb31308542 [0,1,0,0,0,0|2,0,0]=3 798 B8R1.1 Cc1cnc(CN)o1 Amb5733009 [0,1,0,0,0,0|2,0,0]=3 799 B8R1.1 Cc1cnc(CN)s1 Amb21959892 [0,1,0,0,0,0|2,1,0]=4 800 B8R1.1 Cc1cnc(CN)s1 Amb5754155 [0,1,0,0,0,0|2,1,0]=4 801 B8R1.1 Cc1cnc(CO)o1 Amb22039458 [0,1,0,0,0,0|1,0,0]=2 802 B8R1.1 Cc1cnc(CO)s1 Amb8388249 [0,1,0,0,0,0|1,1,0]=3 803 B8R1.1 Cc1cnc(CS)o1 Amb32650878 [0,1,0,0,0,0|1,1,0]=3 804 B8R1.1 Cc1cnc(CS)s1 Amb32650892 [0,1,0,0,0,0|1,2,0]=4 805 B8R1.1 Cc1cnn(CCl)c1 Amb24268828 [0,1,0,0,0,0|3,0,0]=4 806 B8R1.1 Cc1cnn(CCl)c1 Amb8492648 [0,1,0,0,0,0|3,0,0]=4 807 B8R1.1 Cc1cnn(CO)c1 Amb2692182 [0,1,0,0,0,0|2,0,0]=3 808 B8R1.1 Cc1coc(C#N)c1 Amb32679236 [0,1,0,0,0,0|1,0,1]=3 809 B8R1.1 Cc1coc(C=O)c1 Amb18124164 [0,1,0,0,0,0|0,0,2]=3 810 B8R1.1 Cc1coc(C=O)n1 Amb8010964 [0,1,0,0,0,0|1,0,2]=4 811 B8R1.1 Cc1coc(CBr)c1 Amb32685430 [0,1,0,0,0,0|1,0,0]=2 812 B8R1.1 Cc1coc(CCl)c1 Amb32685431 [0,1,0,0,0,0|1,0,0]=2 813 B8R1.1 Cc1coc(CCl)n1 Amb25984840 [0,1,0,0,0,0|2,0,0]=3 814 B8R1.1 Cc1coc(CI)c1 Amb32685432 [0,1,0,0,0,0|1,0,0]=2 815 B8R1.1 Cc1coc(CN)c1 Amb27838295 [0,1,0,0,0,0|1,0,0]=2 816 B8R1.1 Cc1coc(CN)n1 Amb18221697 [0,1,0,0,0,0|2,0,0]=3 817 B8R1.1 Cc1coc(CN)n1 Amb22886200 [0,1,0,0,0,0|2,0,0]=3 818 B8R1.1 Cc1coc(CO)c1 Amb24066149 [0,1,0,0,0,0|0,0,0]=1 819 B8R1.1 Cc1coc(CS)c1 Amb26553022 [0,1,0,0,0,0|0,1,0]=2 820 B8R1.1 Cc1coc(NN)n1 Amb18641723 [0,1,0,0,0,0|3,0,0]=4 821 B8R1.1 Cc1csc(C#N)c1 Amb2691603 [0,1,0,0,0,0|1,1,1]=4 822 B8R1.1 Cc1csc(C=O)c1 Amb2447336 [0,1,0,0,0,0|0,1,2]=4 823 B8R1.1 Cc1csc(CBr)c1 Amb25363165 [0,1,0,0,0,0|1,1,0]=3 824 B8R1.1 Cc1csc(CBr)n1 Amb23571389 [0,1,0,0,0,0|2,1,0]=4 825 B8R1.1 Cc1csc(CCl)n1 Amb10607778 [0,1,0,0,0,0|2,1,0]=4 826 B8R1.1 Cc1csc(CCl)n1 Amb5759012 [0,1,0,0,0,0|2,1,0]=4 827 B8R1.1 Cc1csc(CN)c1 Amb22496138 [0,1,0,0,0,0|1,1,0]=3 828 B8R1.1 Cc1csc(CN)c1 Amb2691604 [0,1,0,0,0,0|1,1,0]=3 829 B8R1.1 Cc1csc(CN)n1 Amb22899001 [0,1,0,0,0,0|2,1,0]=4 830 B8R1.1 Cc1csc(CN)n1 Amb2693614 [0,1,0,0,0,0|2,1,0]=4 831 B8R1.1 Cc1csc(CN)n1 Amb488372 [0,1,0,0,0,0|2,1,0]=4 832 B8R1.1 Cc1csc(CO)c1 Amb2723480 [0,1,0,0,0,0|0,1,0]=2 833 B8R1.1 Cc1csc(CO)n1 Amb21959671 [0,1,0,0,0,0|1,1,0]=3 834 B8R1.1 Cc1csc(CO)n1 Amb5494083 [0,1,0,0,0,0|1,1,0]=3 835 B8R1.1 Cc1csc(CS)c1 Amb33373436 [0,1,0,0,0,0|0,2,0]=3 836 B8R1.1 Cc1csc(CS)n1 Amb26906405 [0,1,0,0,0,0|1,2,0]=4 837 B8R1.1 Cc1nc(CBr)cs1 Amb22002132 [0,1,0,0,0,0|3,0,0]=4 838 B8R1.1 Cc1nc(CBr)cs1 Amb33534320 [0,1,0,0,0,0|3,0,0]=4 839 B8R1.1 Cc1nc(CCl)co1 Amb15701383 [0,1,0,0,0,0|3,0,0]=4 840 B8R1.1 Cc1nc(CCl)co1 Amb31291573 [0,1,0,0,0,0|3,0,0]=4 841 B8R1.1 Cc1nc(CCl)cs1 Amb1152226 [0,1,0,0,0,0|3,0,0]=4 842 B8R1.1 Cc1nc(CCl)cs1 Amb2455685 [0,1,0,0,0,0|3,0,0]=4 843 B8R1.1 Cc1nc(CN)co1 Amb10071201 [0,1,0,0,0,0|3,0,0]=4 844 B8R1.1 Cc1nc(CN)co1 Amb30869524 [0,1,0,0,0,0|3,0,0]=4 845 B8R1.1 Cc1nc(CN)co1 Amb33534602 [0,1,0,0,0,0|3,0,0]=4 846 B8R1.1 Cc1nc(CN)cs1 Amb11012602 [0,1,0,0,0,0|3,0,0]=4 847 B8R1.1 Cc1nc(CN)cs1 Amb22264762 [0,1,0,0,0,0|3,0,0]=4 848 B8R1.1 Cc1nc(CN)cs1 Amb3941608 [0,1,0,0,0,0|3,0,0]=4 849 B8R1.1 Cc1nc(CN)cs1 Amb6335323 [0,1,0,0,0,0|3,0,0]=4 850 B8R1.1 Cc1nc(CO)co1 Amb10071198 [0,1,0,0,0,0|2,0,0]=3 851 B8R1.1 Cc1nc(CO)cs1 Amb1106426 [0,1,0,0,0,0|2,0,0]=3 852 B8R1.1 Cc1nc(CO)no1 Amb33531861 [0,1,0,0,0,0|3,0,0]=4 853 B8R1.1 Cc1nc(CS)cs1 Amb17108588 [0,1,0,0,0,0|2,1,0]=4 854 B8R1.1 Cc1ncc(C#N)o1 Amb23437345 [0,1,0,0,0,0|2,0,1]=4 855 B8R1.1 Cc1ncc(C=O)o1 Amb8010968 [0,1,0,0,0,0|1,0,2]=4 856 B8R1.1 Cc1ncc(CBr)o1 Amb10071205 [0,1,0,0,0,0|2,0,0]=3 857 B8R1.1 Cc1ncc(CBr)s1 Amb18917874 [0,1,0,0,0,0|2,1,0]=4 858 B8R1.1 Cc1ncc(CCl)o1 Amb23437341 [0,1,0,0,0,0|2,0,0]=3 859 B8R1.1 Cc1ncc(CCl)s1 Amb10609724 [0,1,0,0,0,0|2,1,0]=4 860 B8R1.1 Cc1ncc(CCl)s1 Amb23401945 [0,1,0,0,0,0|2,1,0]=4 861 B8R1.1 Cc1ncc(CI)s1 Amb28120437 [0,1,0,0,0,0|2,1,0]=4 862 B8R1.1 Cc1ncc(CN)o1 Amb10071207 [0,1,0,0,0,0|2,0,0]=3 863 B8R1.1 Cc1ncc(CN)s1 Amb22752801 [0,1,0,0,0,0|2,1,0]=4 864 B8R1.1 Cc1ncc(CN)s1 Amb5758520 [0,1,0,0,0,0|2,1,0]=4 865 B8R1.1 Cc1ncc(CO)o1 Amb10071203 [0,1,0,0,0,0|1,0,0]=2 866 B8R1.1 Cc1ncc(CO)s1 Amb10609700 [0,1,0,0,0,0|1,1,0]=3 867 B8R1.1 Cc1ncc(CS)o1 Amb32721549 [0,1,0,0,0,0|1,1,0]=3 868 B8R1.1 Cc1ncc(CS)s1 Amb18917868 [0,1,0,0,0,0|1,2,0]=4 869 B8R1.1 Cc1nnc(CBr)o1 Amb27485027 [0,1,0,0,0,0|3,0,0]=4 870 B8R1.1 Cc1nnc(CCl)o1 Amb1090444 [0,1,0,0,0,0|3,0,0]=4 871 B8R1.1 Cc1nnc(CN)o1 Amb1102627 [0,1,0,0,0,0|3,0,0]=4 872 B8R1.1 Cc1nnc(CN)o1 Amb22898772 [0,1,0,0,0,0|3,0,0]=4 873 B8R1.1 Cc1nnc(CN)o1 Amb33551504 [0,1,0,0,0,0|3,0,0]=4 874 B8R1.1 Cc1nnc(CO)o1 Amb9421409 [0,1,0,0,0,0|2,0,0]=3 875 B8R1.1 Cc1nnc(CO)s1 Amb23481003 [0,1,0,0,0,0|2,1,0]=4 876 B8R1.1 Cc1nnc(CS)o1 Amb24721866 [0,1,0,0,0,0|2,1,0]=4 877 B8R1.1 Cc1noc(CBr)n1 Amb23450282 [0,1,0,0,0,0|3,0,0]=4 878 B8R1.1 Cc1noc(CCl)n1 Amb1093255 [0,1,0,0,0,0|3,0,0]=4 879 B8R1.1 Cc1noc(CI)n1 Amb26453105 [0,1,0,0,0,0|3,0,0]=4 880 B8R1.1 Cc1noc(CN)n1 Amb10609559 [0,1,0,0,0,0|3,0,0]=4 881 B8R1.1 Cc1noc(CN)n1 Amb6645078 [0,1,0,0,0,0|3,0,0]=4 882 B8R1.1 Cc1noc(CO)n1 Amb33531862 [0,1,0,0,0,0|2,0,0]=3 883 B8R1.1 Cc1noc(CS)n1 Amb26431502 [0,1,0,0,0,0|2,1,0]=4 884 B8R1.1 Cc1nsc(CO)n1 Amb25744080 [0,1,0,0,0,0|2,1,0]=4 885 B8R1.1 ClCc1cc(Br)co1 Amb25889289 [0,1,0,0,0,0|1,0,0]=2 886 B8R1.1 ClCc1cc(Br)cs1 Amb33529368 [0,1,0,0,0,0|1,1,0]=3 887 B8R1.1 ClCc1cc(Br)no1 Amb2455697 [0,1,0,0,0,0|2,0,0]=3 888 B8R1.1 ClCc1cc(Cl)cs1 Amb27409802 [0,1,0,0,0,0|1,1,0]=3 889 B8R1.1 ClCc1ccc(Br)o1 Amb6717236 [0,1,0,0,0,0|1,0,0]=2 890 B8R1.1 ClCc1ccc(Br)s1 Amb6717239 [0,1,0,0,0,0|1,1,0]=3 891 B8R1.1 ClCc1ccc(Cl)o1 Amb24433248 [0,1,0,0,0,0|1,0,0]=2 892 B8R1.1 ClCc1ccc(Cl)s1 Amb1105441 [0,1,0,0,0,0|1,1,0]=3 893 B8R1.1 ClCc1cnc(Cl)s1 Amb2455673 [0,1,0,0,0,0|2,1,0]=4 894 B8R1.1 ClCc1coc(I)n1 Amb27986150 [0,1,0,0,0,0|3,0,0]=4 895 B8R1.1 ClCc1csc(Br)c1 Amb10609258 [0,1,0,0,0,0|3,0,0]=4 896 B8R1.1 ClCc1csc(Br)n1 Amb2455941 [0,1,0,0,0,0|3,0,0]=4 897 B8R1.1 ClCc1csc(Cl)c1 Amb28068911 [0,1,0,0,0,0|3,0,0]=4 898 B8R1.1 ClCc1csc(Cl)n1 Amb2455967 [0,1,0,0,0,0|3,0,0]=4 899 B8R1.1 ClCc1csc(I)c1 Amb27272839 [0,1,0,0,0,0|3,0,0]=4 900 B8R1.1 ClCc1nc(Cl)cs1 Amb27879066 [0,1,0,0,0,0|2,1,0]=4 901 B8R1.1 ClCc1ncc(Br)s1 Amb22235032 [0,1,0,0,0,0|2,1,0]=4 902 B8R1.1 ClCc1ncc(Cl)s1 Amb33547289 [0,1,0,0,0,0|2,1,0]=4 903 B8R1.1 ClCc1nnc(Cl)o1 Amb27628388 [0,1,0,0,0,0|3,0,0]=4 904 B8R1.1 ClCn1cc(Br)cn1 Amb6888573 [0,1,0,0,0,0|3,0,0]=4 905 B8R1.1 ClCn1cc(Cl)cn1 Amb2692338 [0,1,0,0,0,0|3,0,0]=4 906 B8R1.1 ClCn1cc(Cl)cn1 Amb32664776 [0,1,0,0,0,0|3,0,0]=4 907 B8R1.1 ClCn1ccc(I)n1 Amb27804164 [0,1,0,0,0,0|3,0,0]=4 908 B8R1.1 Clc1cc(CBr)cs1 Amb27488966 [0,1,0,0,0,0|3,0,0]=4 909 B8R1.1 Clc1cc(CI)cs1 Amb27843256 [0,1,0,0,0,0|3,0,0]=4 910 B8R1.1 Clc1ccc(CBr)o1 Amb24452907 [0,1,0,0,0,0|1,0,0]=2 911 B8R1.1 Clc1ccc(CBr)s1 Amb19375092 [0,1,0,0,0,0|1,1,0]=3 912 B8R1.1 Clc1ccc([Zn]Br)s1 Amb22000383 [0,1,0,0,0,0|2,1,0]=4 913 B8R1.1 Clc1csc(CBr)c1 Amb26645297 [0,1,0,0,0,0|1,1,0]=3 914 B8R1.1 Clc1nc(CBr)co1 Amb21858007 [0,1,0,0,0,0|3,0,0]=4 915 B8R1.1 Clc1nc(CBr)cs1 Amb28368603 [0,1,0,0,0,0|3,0,0]=4 916 B8R1.1 Clc1ncc(CBr)s1 Amb26593785 [0,1,0,0,0,0|2,1,0]=4 917 B8R1.1 Clc1ncc(CI)s1 Amb28316119 [0,1,0,0,0,0|2,1,0]=4 918 B8R1.1 Cn1cc(CO)cn1 Amb1229161 [0,1,0,0,0,0|3,0,0]=4 919 B8R1.1 Cn1cc(CO)nn1 Amb17538034 [0,1,0,0,0,0|3,0,0]=4 920 B8R1.1 Cn1cc(CO)nn1 Amb32653278 [0,1,0,0,0,0|3,0,0]=4 921 B8R1.1 Cn1ccc(CBr)n1 Amb21963342 [0,1,0,0,0,0|3,0,0]=4 922 B8R1.1 Cn1ccc(CBr)n1 Amb32674774 [0,1,0,0,0,0|3,0,0]=4 923 B8R1.1 Cn1ccc(CCl)c1 Amb18860985 [0,1,0,0,0,0|3,0,0]=4 924 B8R1.1 Cn1ccc(CCl)n1 Amb19895007 [0,1,0,0,0,0|3,0,0]=4 925 B8R1.1 Cn1ccc(CCl)n1 Amb21927825 [0,1,0,0,0,0|3,0,0]=4 926 B8R1.1 Cn1ccc(CCl)n1 Amb2723922 [0,1,0,0,0,0|3,0,0]=4 927 B8R1.1 Cn1ccc(CN)c1 Amb18062067 [0,1,0,0,0,0|3,0,0]=4 928 B8R1.1 Cn1ccc(CN)n1 Amb1934808 [0,1,0,0,0,0|3,0,0]=4 929 B8R1.1 Cn1ccc(CN)n1 Amb2693486 [0,1,0,0,0,0|3,0,0]=4 930 B8R1.1 Cn1ccc(CO)c1 Amb18221599 [0,1,0,0,0,0|2,0,0]=3 931 B8R1.1 Cn1ccc(CO)n1 Amb2723920 [0,1,0,0,0,0|2,0,0]=3 932 B8R1.1 Cn1ccc(CS)c1 Amb32788788 [0,1,0,0,0,0|2,1,0]=4 933 B8R1.1 Cn1ccc(CS)n1 Amb27401530 [0,1,0,0,0,0|2,1,0]=4 934 B8R1.1 Cn1cnc(CBr)c1 Amb23412322 [0,1,0,0,0,0|3,0,0]=4 935 B8R1.1 Cn1cnc(CBr)c1 Amb33456843 [0,1,0,0,0,0|3,0,0]=4 936 B8R1.1 Cn1cnc(CCl)c1 Amb22491527 [0,1,0,0,0,0|3,0,0]=4 937 B8R1.1 Cn1cnc(CCl)c1 Amb2455671 [0,1,0,0,0,0|3,0,0]=4 938 B8R1.1 Cn1cnc(CN)c1 Amb19515964 [0,1,0,0,0,0|3,0,0]=4 939 B8R1.1 Cn1cnc(CN)c1 Amb24183553 [0,1,0,0,0,0|3,0,0]=4 940 B8R1.1 Cn1cnc(CN)c1 Amb2723069 [0,1,0,0,0,0|3,0,0]=4 941 B8R1.1 Cn1cnc(CO)c1 Amb22001751 [0,1,0,0,0,0|2,0,0]=3 942 B8R1.1 Cn1cnc(CO)c1 Amb2723068 [0,1,0,0,0,0|2,0,0]=3 943 B8R1.1 Cn1cnc(CO)n1 Amb15695296 [0,1,0,0,0,0|3,0,0]=4 944 B8R1.1 Cn1cnc(CS)c1 Amb24416571 [0,1,0,0,0,0|2,1,0]=4 945 B8R1.1 Cn1ncc(CO)n1 Amb23541044 [0,1,0,0,0,0|3,0,0]=4 946 B8R1.1 FCc1nc(Br)co1 Amb27229437 [0,1,0,0,0,0|2,0,0]=3 947 B8R1.1 FCn1cc(Br)cn1 Amb25175379 [0,1,0,0,0,0|3,0,0]=4 948 B8R1.1 FCn1cc(I)cn1 Amb32428323 [0,1,0,0,0,0|3,0,0]=4 949 B8R1.1 Fc1ccc(CBr)s1 Amb24270964 [0,1,0,0,0,0|1,1,0]=3 950 B8R1.1 Fc1ccc(CCl)s1 Amb24054148 [0,1,0,0,0,0|1,1,0]=3 951 B8R1.1 Fc1ccc(CS)o1 Amb26504113 [0,1,0,0,0,0|0,1,0]=2 952 B8R1.1 Fc1cnc(CCl)s1 Amb28196585 [0,1,0,0,0,0|2,1,0]=4 953 B8R1.1 Fc1coc(CS)c1 Amb26547253 [0,1,0,0,0,0|0,1,0]=2 954 B8R1.1 N#Cc1cc(Br)co1 Amb24446618 [0,1,0,0,0,0|1,0,1]=3 955 B8R1.1 N#Cc1cc(Br)cs1 Amb6316165 [0,1,0,0,0,0|1,1,1]=4 956 B8R1.1 N#Cc1cc(Br)no1 Amb26503863 [0,1,0,0,0,0|2,0,1]=4 957 B8R1.1 N#Cc1cc(Cl)cs1 Amb33547479 [0,1,0,0,0,0|1,1,1]=4 958 B8R1.1 N#Cc1cc(F)cs1 Amb22490413 [0,1,0,0,0,0|1,1,1]=4 959 B8R1.1 N#Cc1cc(I)cs1 Amb24679382 [0,1,0,0,0,0|1,1,1]=4 960 B8R1.1 N#Cc1cc(N)cs1 Amb18642138 [0,1,0,0,0,0|1,1,1]=4 961 B8R1.1 N#Cc1cc(N)no1 Amb18833128 [0,1,0,0,0,0|2,0,1]=4 962 B8R1.1 N#Cc1cc(O)cs1 Amb25851080 [0,1,0,0,0,0|1,1,1]=4 963 B8R1.1 N#Cc1ccc(Br)o1 Amb33528581 [0,1,0,0,0,0|1,0,1]=3 964 B8R1.1 N#Cc1ccc(Br)s1 Amb8968475 [0,1,0,0,0,0|1,1,1]=4 965 B8R1.1 N#Cc1ccc(Cl)o1 Amb18642557 [0,1,0,0,0,0|1,0,1]=3 966 B8R1.1 N#Cc1ccc(Cl)s1 Amb33528649 [0,1,0,0,0,0|1,1,1]=4 967 B8R1.1 N#Cc1ccc(F)o1 Amb24623154 [0,1,0,0,0,0|1,0,1]=3 968 B8R1.1 N#Cc1ccc(F)s1 Amb18642494 [0,1,0,0,0,0|1,1,1]=4 969 B8R1.1 N#Cc1ccc(I)o1 Amb22052210 [0,1,0,0,0,0|1,0,1]=3 970 B8R1.1 N#Cc1ccc(I)s1 Amb21964152 [0,1,0,0,0,0|1,1,1]=4 971 B8R1.1 N#Cc1ccc(N)o1 Amb18203412 [0,1,0,0,0,0|1,0,1]=3 972 B8R1.1 N#Cc1ccc(N)s1 Amb17477844 [0,1,0,0,0,0|1,1,1]=4 973 B8R1.1 N#Cc1ccc(O)o1 Amb27666420 [0,1,0,0,0,0|1,0,1]=3 974 B8R1.1 N#Cc1ccc(O)s1 Amb5719987 [0,1,0,0,0,0|1,1,1]=4 975 B8R1.1 N#Cc1ccc(S)s1 Amb26571680 [0,1,0,0,0,0|1,1,1]=4 976 B8R1.1 N#Cc1cnc(N)o1 Amb27215654 [0,1,0,0,0,0|2,0,1]=4 977 B8R1.1 N#Cc1nc(Br)co1 Amb27234835 [0,1,0,0,0,0|2,0,1]=4 978 B8R1.1 NC1=NCC(CO)O1 Amb27596592 [0,1,0,0,0,0|1,0,2]=4 979 B8R1.1 NC1C=CC(CO)C1 Amb17607971 [0,1,0,0,0,0|1,0,2]=4 980 B8R1.1 NC1C=CC(CO)C1 Amb32665931 [0,1,0,0,0,0|1,0,2]=4 981 B8R1.1 NC1CC=C(CO)C1 Amb28136321 [0,1,0,0,0,0|1,0,2]=4 982 B8R1.1 NCC1=CC(=O)NN1 Amb18833072 [0,1,0,0,0,0|3,0,0]=4 983 B8R1.1 NCC1=CC(=O)NS1 Amb19134059 [0,1,0,0,0,0|2,1,0]=4 984 B8R1.1 NCC1=CNC(=O)N1 Amb18908264 [0,1,0,0,0,0|3,0,0]=4 985 B8R1.1 NCC1=CNC(=O)N1 Amb32653476 [0,1,0,0,0,0|3,0,0]=4 986 B8R1.1 NCC1=CNC(=O)N1 Amb32664217 [0,1,0,0,0,0|3,0,0]=4 987 B8R1.1 NCC1=CNC(=O)O1 Amb27790043 [0,1,0,0,0,0|2,0,0]=3 988 B8R1.1 NCC1=CSC(=O)N1 Amb20669453 [0,1,0,0,0,0|3,0,0]=4 989 B8R1.1 NCC1=NNC(=O)O1 Amb26630995 [0,1,0,0,0,0|3,0,0]=4 990 B8R1.1 NCC1C=CC(=O)O1 Amb27842373 [0,1,0,0,0,0|1,0,1]=3 991 B8R1.1 NCc1cc(=O)nn1 Amb1293446 [0,1,0,0,0,0|3,0,0]=4 992 B8R1.1 NCc1cc(Br)co1 Amb28410450 [0,1,0,0,0,0|1,0,0]=2 993 B8R1.1 NCc1cc(Br)cs1 Amb10067673 [0,1,0,0,0,0|1,1,0]=3 994 B8R1.1 NCc1cc(Br)cs1 Amb22388572 [0,1,0,0,0,0|1,1,0]=3 995 B8R1.1 NCc1cc(Br)cs1 Amb7173583 [0,1,0,0,0,0|1,1,0]=3 996 B8R1.1 NCc1cc(Br)no1 Amb10067252 [0,1,0,0,0,0|2,0,0]=3 997 B8R1.1 NCc1cc(Br)no1 Amb19957482 [0,1,0,0,0,0|2,0,0]=3 998 B8R1.1 NCc1cc(Cl)co1 Amb23537475 [0,1,0,0,0,0|1,0,0]=2 999 B8R1.1 NCc1cc(Cl)cs1 Amb18251310 [0,1,0,0,0,0|1,1,0]=3 1000 B8R1.1 NCc1cc(Cl)cs1 Amb28984122 [0,1,0,0,0,0|1,1,0]=3 1001 B8R1.1 NCc1cc(Cl)on1 Amb28436298 [0,1,0,0,0,0|3,0,0]=4 1002 B8R1.1 NCc1cc(I)cs1 Amb26470783 [0,1,0,0,0,0|1,1,0]=3 1003 B8R1.1 NCc1cc(O)no1 Amb8514569 [0,1,0,0,0,0|2,0,0]=3 1004 B8R1.1 NCc1ccc(Br)o1 Amb1099320 [0,1,0,0,0,0|1,0,0]=2 1005 B8R1.1 NCc1ccc(Br)o1 Amb22500479 [0,1,0,0,0,0|1,0,0]=2 1006 B8R1.1 NCc1ccc(Br)s1 Amb6252389 [0,1,0,0,0,0|1,1,0]=3 1007 B8R1.1 NCc1ccc(Br)s1 Amb6892666 [0,1,0,0,0,0|1,1,0]=3 1008 B8R1.1 NCc1ccc(Cl)o1 Amb2606114 [0,1,0,0,0,0|1,0,0]=2 1009 B8R1.1 NCc1ccc(Cl)s1 Amb6280155 [0,1,0,0,0,0|1,1,0]=3 1010 B8R1.1 NCc1ccc(Cl)s1 Amb6892668 [0,1,0,0,0,0|1,1,0]=3 1011 B8R1.1 NCc1ccc(F)s1 Amb23440031 [0,1,0,0,0,0|1,1,0]=3 1012 B8R1.1 NCc1ccc(F)s1 Amb24054066 [0,1,0,0,0,0|1,1,0]=3 1013 B8R1.1 NCc1ccc(I)o1 Amb9620839 [0,1,0,0,0,0|1,0,0]=2 1014 B8R1.1 NCc1ccc(I)s1 Amb25763380 [0,1,0,0,0,0|1,1,0]=3 1015 B8R1.1 NCc1ccc(N)s1 Amb17477843 [0,1,0,0,0,0|1,1,0]=3 1016 B8R1.1 NCc1cnc(Br)s1 Amb18190441 [0,1,0,0,0,0|2,1,0]=4 1017 B8R1.1 NCc1cnc(Br)s1 Amb22500649 [0,1,0,0,0,0|2,1,0]=4 1018 B8R1.1 NCc1cnc(Br)s1 Amb22899247 [0,1,0,0,0,0|2,1,0]=4 1019 B8R1.1 NCc1cnc(Br)s1 Amb32652108 [0,1,0,0,0,0|2,1,0]=4 1020 B8R1.1 NCc1cnc(Cl)s1 Amb19957495 [0,1,0,0,0,0|2,1,0]=4 1021 B8R1.1 NCc1cnc(Cl)s1 Amb8383936 [0,1,0,0,0,0|2,1,0]=4 1022 B8R1.1 NCc1cnc(N)s1 Amb18278704 [0,1,0,0,0,0|2,1,0]=4 1023 B8R1.1 NCc1cnc(N)s1 Amb28993858 [0,1,0,0,0,0|2,1,0]=4 1024 B8R1.1 NCc1coc(Cl)n1 Amb25746718 [0,1,0,0,0,0|3,0,0]=4 1025 B8R1.1 NCc1coc(Cl)n1 Amb32661644 [0,1,0,0,0,0|3,0,0]=4 1026 B8R1.1 NCc1csc(Br)c1 Amb13951463 [0,1,0,0,0,0|3,0,0]=4 1027 B8R1.1 NCc1csc(Br)c1 Amb7969723 [0,1,0,0,0,0|3,0,0]=4 1028 B8R1.1 NCc1csc(Br)n1 Amb18190453 [0,1,0,0,0,0|3,0,0]=4 1029 B8R1.1 NCc1csc(Br)n1 Amb35750227 [0,1,0,0,0,0|3,0,0]=4 1030 B8R1.1 NCc1csc(Cl)c1 Amb22235040 [0,1,0,0,0,0|3,0,0]=4 1031 B8R1.1 NCc1csc(Cl)c1 Amb22752253 [0,1,0,0,0,0|3,0,0]=4 1032 B8R1.1 NCc1csc(Cl)n1 Amb22396134 [0,1,0,0,0,0|3,0,0]=4 1033 B8R1.1 NCc1csc(Cl)n1 Amb22904371 [0,1,0,0,0,0|3,0,0]=4 1034 B8R1.1 NCc1csc(F)n1 Amb27795131 [0,1,0,0,0,0|3,0,0]=4 1035 B8R1.1 NCc1csc(I)c1 Amb24533929 [0,1,0,0,0,0|3,0,0]=4 1036 B8R1.1 NCc1csc(N)c1 Amb18251120 [0,1,0,0,0,0|3,0,0]=4 1037 B8R1.1 NCc1csc(N)n1 Amb10607503 [0,1,0,0,0,0|3,0,0]=4 1038 B8R1.1 NCc1csc(N)n1 Amb19299857 [0,1,0,0,0,0|3,0,0]=4 1039 B8R1.1 NCc1csc(O)n1 Amb22059307 [0,1,0,0,0,0|3,0,0]=4 1040 B8R1.1 NCc1nc(Br)cs1 Amb22491035 [0,1,0,0,0,0|2,1,0]=4 1041 B8R1.1 NCc1nc(Br)no1 Amb18190899 [0,1,0,0,0,0|3,0,0]=4 1042 B8R1.1 NCc1nc(Cl)cs1 Amb28323999 [0,1,0,0,0,0|2,1,0]=4 1043 B8R1.1 NCc1nc(N)cs1 Amb18203229 [0,1,0,0,0,0|2,1,0]=4 1044 B8R1.1 NCc1ncc(Br)s1 Amb22491236 [0,1,0,0,0,0|2,1,0]=4 1045 B8R1.1 NCc1ncc(Br)s1 Amb24078539 [0,1,0,0,0,0|2,1,0]=4 1046 B8R1.1 NCc1ncc(Cl)s1 Amb22756252 [0,1,0,0,0,0|2,1,0]=4 1047 B8R1.1 NCc1ncc(Cl)s1 Amb24723328 [0,1,0,0,0,0|2,1,0]=4 1048 B8R1.1 NCc1nnc(Cl)o1 Amb26516916 [0,1,0,0,0,0|3,0,0]=4 1049 B8R1.1 NCc1nnc(N)o1 Amb18221743 [0,1,0,0,0,0|3,0,0]=4 1050 B8R1.1 NCc1nnc(N)o1 Amb28934870 [0,1,0,0,0,0|3,0,0]=4 1051 B8R1.1 NCc1nnc(S)o1 Amb18222732 [0,1,0,0,0,0|3,0,0]=4 1052 B8R1.1 NCc1nnc(S)o1 Amb22551845 [0,1,0,0,0,0|3,0,0]=4 1053 B8R1.1 NNc1ccc(Br)s1 Amb18190243 [0,1,0,0,0,0|2,1,0]=4 1054 B8R1.1 NNc1ccc(Cl)s1 Amb27434897 [0,1,0,0,0,0|2,1,0]=4 1055 B8R1.1 N[C@@H]1C=C[C@H](CO)C1 Amb16231083 [0,1,0,0,0,0|1,0,2]=4 1056 B8R1.1 N[C@@H]1CC=C(CO)C1 Amb27839180 [0,1,0,0,0,0|1,0,2]=4 1057 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 Amb19149051 [0,1,0,0,0,0|1,0,2]=4 1058 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 Amb24182040 [0,1,0,0,0,0|1,0,2]=4 1059 B8R1.1 Nc1cc(CF)no1 Amb33378690 [0,1,0,0,0,0|3,0,0]=4 1060 B8R1.1 Nc1cc(CF)on1 Amb33378688 [0,1,0,0,0,0|2,0,0]=3 1061 B8R1.1 Nc1cc(CO)ns1 Amb27231685 [0,1,0,0,0,0|2,0,0]=3 1062 B8R1.1 Nc1cc(CO)on1 Amb18124249 [0,1,0,0,0,0|1,0,0]=2 1063 B8R1.1 Nc1ccc(C=O)o1 Amb18833112 [0,1,0,0,0,0|0,0,2]=3 1064 B8R1.1 Nc1ccc(C=O)s1 Amb18202442 [0,1,0,0,0,0|0,1,2]=4 1065 B8R1.1 Nc1ccc(CS)o1 Amb24365127 [0,1,0,0,0,0|0,1,0]=2 1066 B8R1.1 Nc1cnc(CF)o1 Amb27872616 [0,1,0,0,0,0|2,0,0]=3 1067 B8R1.1 Nc1cnn(CF)c1 Amb27849298 [0,1,0,0,0,0|3,0,0]=4 1068 B8R1.1 Nc1coc(C=O)c1 Amb18833113 [0,1,0,0,0,0|0,0,2]=3 1069 B8R1.1 Nc1coc(CF)n1 Amb27421824 [0,1,0,0,0,0|2,0,0]=3 1070 B8R1.1 Nc1coc(CS)c1 Amb27450448 [0,1,0,0,0,0|0,1,0]=2 1071 B8R1.1 Nc1csc(C=O)c1 Amb18679453 [0,1,0,0,0,0|0,1,2]=4 1072 B8R1.1 Nc1csc(CCl)n1 Amb28076074 [0,1,0,0,0,0|2,1,0]=4 1073 B8R1.1 Nc1nc(CBr)cs1 Amb2795377 [0,1,0,0,0,0|3,0,0]=4 1074 B8R1.1 Nc1nc(CCl)cs1 Amb6364798 [0,1,0,0,0,0|3,0,0]=4 1075 B8R1.1 Nc1nc(CCl)cs1 Amb6874860 [0,1,0,0,0,0|3,0,0]=4 1076 B8R1.1 Nc1nc(CF)cs1 Amb24555658 [0,1,0,0,0,0|3,0,0]=4 1077 B8R1.1 Nc1nc(CF)cs1 Amb32687475 [0,1,0,0,0,0|3,0,0]=4 1078 B8R1.1 Nc1nc(CO)co1 Amb22756375 [0,1,0,0,0,0|2,0,0]=3 1079 B8R1.1 Nc1nc(CO)cs1 Amb1101129 [0,1,0,0,0,0|2,0,0]=3 1080 B8R1.1 Nc1nc(CO)cs1 Amb22284118 [0,1,0,0,0,0|2,0,0]=3 1081 B8R1.1 Nc1nc(CS)cs1 Amb24099806 [0,1,0,0,0,0|2,1,0]=4 1082 B8R1.1 Nc1ncc(C=O)o1 Amb23400983 [0,1,0,0,0,0|1,0,2]=4 1083 B8R1.1 Nc1ncc(CCl)s1 Amb23555845 [0,1,0,0,0,0|2,1,0]=4 1084 B8R1.1 Nc1ncc(CF)o1 Amb28208737 [0,1,0,0,0,0|2,0,0]=3 1085 B8R1.1 Nc1ncc(CO)o1 Amb25104500 [0,1,0,0,0,0|1,0,0]=2 1086 B8R1.1 Nc1ncc(CO)o1 Amb33465517 [0,1,0,0,0,0|1,0,0]=2 1087 B8R1.1 Nc1ncc(CO)s1 Amb16231070 [0,1,0,0,0,0|1,1,0]=3 1088 B8R1.1 Nc1ncc(CO)s1 Amb22899164 [0,1,0,0,0,0|1,1,0]=3 1089 B8R1.1 Nc1nnc(CCl)o1 Amb25772763 [0,1,0,0,0,0|3,0,0]=4 1090 B8R1.1 Nc1nnc(CO)o1 Amb22549321 [0,1,0,0,0,0|2,0,0]=3 1091 B8R1.1 Nc1nnc(CO)s1 Amb18944236 [0,1,0,0,0,0|2,1,0]=4 1092 B8R1.1 O=C1C=C(CBr)CO1 Amb17935686 [0,1,0,0,0,0|3,0,0]=4 1093 B8R1.1 O=C1C=C(CBr)ON1 Amb33714899 [0,1,0,0,0,0|2,0,0]=3 1094 B8R1.1 O=C1C=C(CCl)CO1 Amb24481317 [0,1,0,0,0,0|3,0,0]=4 1095 B8R1.1 O=C1C=C(CI)CO1 Amb27613248 [0,1,0,0,0,0|3,0,0]=4 1096 B8R1.1 O=C1C=C(CO)CO1 Amb23557062 [0,1,0,0,0,0|2,0,0]=3 1097 B8R1.1 O=C1C=C(CO)OC1 Amb26899531 [0,1,0,0,0,0|0,0,1]=2 1098 B8R1.1 O=C1C=C(CS)CO1 Amb28316054 [0,1,0,0,0,0|2,1,0]=4 1099 B8R1.1 O=C1C=CC(CBr)O1 Amb24423424 [0,1,0,0,0,0|1,0,1]=3 1100 B8R1.1 O=C1C=C[C@@H](CBr)O1 Amb28128549 [0,1,0,0,0,0|1,0,1]=3 1101 B8R1.1 O=C1C=C[C@@H](CO)O1 Amb3939187 [0,1,0,0,0,0|0,0,1]=2 1102 B8R1.1 O=C1C=C[C@H](CO)O1 Amb2699833 [0,1,0,0,0,0|0,0,1]=2 1103 B8R1.1 O=C1C=C\C(=C/Br)O1 Amb26420865 [0,1,0,0,0,0|1,0,1]=3 1104 B8R1.1 O=C1C=P\C(=C/P)O1 Amb28247307 [0,1,0,0,0,0|2,0,1]=4 1105 B8R1.1 O=C1CC(CO)=CN1 Amb27462604 [0,1,0,0,0,0|2,0,0]=3 1106 B8R1.1 O=C1CC(CO)=NN1 Amb17593181 [0,1,0,0,0,0|2,0,1]=4 1107 B8R1.1 O=C1CC=C(CO)O1 Amb26977633 [0,1,0,0,0,0|0,0,1]=2 1108 B8R1.1 O=C1CCC(CO)O1 Amb20240701 [0,1,0,0,0,0|0,0,3]=4 1109 B8R1.1 O=C1CC[C@@H](CO)O1 Amb8515911 [0,1,0,0,0,0|0,0,3]=4 1110 B8R1.1 O=C1CC[C@H](CO)O1 Amb4037005 [0,1,0,0,0,0|0,0,3]=4 1111 B8R1.1 O=C1COC(CBr)=N1 Amb28342209 [0,1,0,0,0,0|2,0,1]=4 1112 B8R1.1 O=C1COC(CO)C1 Amb24117838 [0,1,0,0,0,0|0,0,3]=4 1113 B8R1.1 O=C1COC(CO)N1 Amb27789986 [0,1,0,0,0,0|1,0,2]=4 1114 B8R1.1 O=C1N=CC(CO)=N1 Amb28346253 [0,1,0,0,0,0|2,0,0]=3 1115 B8R1.1 O=C1NC(CBr)=CS1 Amb26887581 [0,1,0,0,0,0|3,0,0]=4 1116 B8R1.1 O=C1NCC(CO)O1 Amb9421413 [0,1,0,0,0,0|1,0,2]=4 1117 B8R1.1 O=C1NC[C@@H](CO)O1 Amb24183552 [0,1,0,0,0,0|1,0,2]=4 1118 B8R1.1 O=C1NC[C@H](CO)O1 Amb22737250 [0,1,0,0,0,0|1,0,2]=4 1119 B8R1.1 O=C1NN=C(CO)O1 Amb24579278 [0,1,0,0,0,0|2,0,0]=3 1120 B8R1.1 O=C1OC=C(CBr)O1 Amb22491256 [0,1,0,0,0,0|2,0,0]=3 1121 B8R1.1 O=C1OCC(CO)O1 Amb3939438 [0,1,0,0,0,0|1,0,2]=4 1122 B8R1.1 O=C1SC=C(CBr)S1 Amb28285212 [0,1,0,0,0,0|2,1,0]=4 1123 B8R1.1 O=C1SC=C(CO)S1 Amb27652889 [0,1,0,0,0,0|1,1,0]=3 1124 B8R1.1 O=CC1=CC(=O)NO1 Amb22498283 [0,1,0,0,0,0|1,0,2]=4 1125 B8R1.1 O=Cc1cc(Br)co1 Amb2685260 [0,1,0,0,0,0|0,0,2]=3 1126 B8R1.1 O=Cc1cc(Br)cs1 Amb1806177 [0,1,0,0,0,0|0,1,2]=4 1127 B8R1.1 O=Cc1cc(Br)no1 Amb10602266 [0,1,0,0,0,0|1,0,2]=4 1128 B8R1.1 O=Cc1cc(Cl)co1 Amb18642825 [0,1,0,0,0,0|0,0,2]=3 1129 B8R1.1 O=Cc1cc(Cl)cs1 Amb33544156 [0,1,0,0,0,0|0,1,2]=4 1130 B8R1.1 O=Cc1cc(F)co1 Amb18833044 [0,1,0,0,0,0|0,0,2]=3 1131 B8R1.1 O=Cc1cc(F)cs1 Amb18832536 [0,1,0,0,0,0|0,1,2]=4 1132 B8R1.1 O=Cc1cc(I)cs1 Amb21962048 [0,1,0,0,0,0|0,1,2]=4 1133 B8R1.1 O=Cc1cc(O)co1 Amb28049029 [0,1,0,0,0,0|0,0,2]=3 1134 B8R1.1 O=Cc1cc(O)cs1 Amb28138899 [0,1,0,0,0,0|0,1,2]=4 1135 B8R1.1 O=Cc1ccc(Br)o1 Amb1153092 [0,1,0,0,0,0|0,0,2]=3 1136 B8R1.1 O=Cc1ccc(Br)s1 Amb1161542 [0,1,0,0,0,0|0,1,2]=4 1137 B8R1.1 O=Cc1ccc(Cl)o1 Amb1157854 [0,1,0,0,0,0|0,0,2]=3 1138 B8R1.1 O=Cc1ccc(Cl)s1 Amb1159320 [0,1,0,0,0,0|0,1,2]=4 1139 B8R1.1 O=Cc1ccc(F)o1 Amb18203364 [0,1,0,0,0,0|0,0,2]=3 1140 B8R1.1 O=Cc1ccc(F)s1 Amb10249047 [0,1,0,0,0,0|0,1,2]=4 1141 B8R1.1 O=Cc1ccc(I)o1 Amb1669363 [0,1,0,0,0,0|0,0,2]=3 1142 B8R1.1 O=Cc1ccc(I)s1 Amb20621479 [0,1,0,0,0,0|0,1,2]=4 1143 B8R1.1 O=Cc1ccc(O)o1 Amb26370088 [0,1,0,0,0,0|0,0,2]=3 1144 B8R1.1 O=Cc1ccc(O)s1 Amb24741796 [0,1,0,0,0,0|0,1,2]=4 1145 B8R1.1 O=Cc1ccc(S)s1 Amb26641991 [0,1,0,0,0,0|0,1,2]=4 1146 B8R1.1 O=Cc1cnc(Br)o1 Amb10067561 [0,1,0,0,0,0|1,0,2]=4 1147 B8R1.1 OC1C=CC(CBr)O1 Amb27234097 [0,1,0,0,0,0|1,0,2]=4 1148 B8R1.1 OCC1=NNC(=S)S1 Amb25961801 [0,1,0,0,0,0|2,1,0]=4 1149 B8R1.1 OCC1CC(Br)=NO1 Amb23449512 [0,1,0,0,0,0|1,0,2]=4 1150 B8R1.1 OCC1CC(Cl)=NO1 Amb28381642 [0,1,0,0,0,0|1,0,2]=4 1151 B8R1.1 OCC1CN=C(S)O1 Amb25092005 [0,1,0,0,0,0|1,0,2]=4 1152 B8R1.1 OCC1CSC(=S)O1 Amb28190348 [0,1,0,0,0,0|1,0,2]=4 1153 B8R1.1 OC[C@H]1C=C[C@@H](O)C1 Amb27207178 [0,1,0,0,0,0|1,0,2]=4 1154 B8R1.1 OCc1cc(Br)co1 Amb21857563 [0,1,0,0,0,0|0,0,0]=1 1155 B8R1.1 OCc1cc(Br)cs1 Amb837408 [0,1,0,0,0,0|0,1,0]=2 1156 B8R1.1 OCc1cc(Br)no1 Amb2455736 [0,1,0,0,0,0|1,0,0]=2 1157 B8R1.1 OCc1cc(Cl)co1 Amb23537660 [0,1,0,0,0,0|0,0,0]=1 1158 B8R1.1 OCc1cc(Cl)cs1 Amb23439217 [0,1,0,0,0,0|0,1,0]=2 1159 B8R1.1 OCc1cc(F)cs1 Amb26913691 [0,1,0,0,0,0|0,1,0]=2 1160 B8R1.1 OCc1cc(O)on1 Amb28430626 [0,1,0,0,0,0|2,0,0]=3 1161 B8R1.1 OCc1ccc(Br)o1 Amb1111133 [0,1,0,0,0,0|0,0,0]=1 1162 B8R1.1 OCc1ccc(Br)s1 Amb1110302 [0,1,0,0,0,0|0,1,0]=2 1163 B8R1.1 OCc1ccc(Cl)o1 Amb22498874 [0,1,0,0,0,0|0,0,0]=1 1164 B8R1.1 OCc1ccc(Cl)s1 Amb837258 [0,1,0,0,0,0|0,1,0]=2 1165 B8R1.1 OCc1ccc(F)o1 Amb24696625 [0,1,0,0,0,0|0,0,0]=1 1166 B8R1.1 OCc1ccc(F)s1 Amb19892820 [0,1,0,0,0,0|0,1,0]=2 1167 B8R1.1 OCc1ccc(I)o1 Amb9619570 [0,1,0,0,0,0|0,0,0]=1 1168 B8R1.1 OCc1cn(Br)cn1 Amb20248163 [0,1,0,0,0,0|2,0,0]=3 1169 B8R1.1 OCc1cnc(Br)o1 Amb10067560 [0,1,0,0,0,0|1,0,0]=2 1170 B8R1.1 OCc1cnc(Br)s1 Amb33544477 [0,1,0,0,0,0|1,1,0]=3 1171 B8R1.1 OCc1cnc(Cl)s1 Amb33544467 [0,1,0,0,0,0|1,1,0]=3 1172 B8R1.1 OCc1coc(Br)c1 Amb22736839 [0,1,0,0,0,0|2,0,0]=3 1173 B8R1.1 OCc1coc(Br)n1 Amb10067557 [0,1,0,0,0,0|2,0,0]=3 1174 B8R1.1 OCc1coc(Cl)n1 Amb10603118 [0,1,0,0,0,0|2,0,0]=3 1175 B8R1.1 OCc1coc(I)c1 Amb24560087 [0,1,0,0,0,0|2,0,0]=3 1176 B8R1.1 OCc1csc(Br)c1 Amb33531870 [0,1,0,0,0,0|2,0,0]=3 1177 B8R1.1 OCc1csc(Br)n1 Amb22587174 [0,1,0,0,0,0|2,0,0]=3 1178 B8R1.1 OCc1csc(Br)n1 Amb2455707 [0,1,0,0,0,0|2,0,0]=3 1179 B8R1.1 OCc1csc(Cl)c1 Amb21864616 [0,1,0,0,0,0|2,0,0]=3 1180 B8R1.1 OCc1csc(Cl)n1 Amb10067282 [0,1,0,0,0,0|2,0,0]=3 1181 B8R1.1 OCc1csc(F)n1 Amb24099809 [0,1,0,0,0,0|2,0,0]=3 1182 B8R1.1 OCc1csc(I)c1 Amb27951497 [0,1,0,0,0,0|2,0,0]=3 1183 B8R1.1 OCc1csc(O)n1 Amb28285215 [0,1,0,0,0,0|2,0,0]=3 1184 B8R1.1 OCc1csc(S)n1 Amb22297669 [0,1,0,0,0,0|2,0,0]=3 1185 B8R1.1 OCc1nc(Br)co1 Amb26499933 [0,1,0,0,0,0|1,0,0]=2 1186 B8R1.1 OCc1nc(Br)cs1 Amb22002368 [0,1,0,0,0,0|1,1,0]=3 1187 B8R1.1 OCc1nc(Cl)cs1 Amb27946426 [0,1,0,0,0,0|1,1,0]=3 1188 B8R1.1 OCc1ncc(Br)o1 Amb28350089 [0,1,0,0,0,0|1,0,0]=2 1189 B8R1.1 OCc1ncc(Br)s1 Amb33530470 [0,1,0,0,0,0|1,1,0]=3 1190 B8R1.1 OCc1ncc(Cl)s1 Amb23439248 [0,1,0,0,0,0|1,1,0]=3 1191 B8R1.1 OCc1nnc(Br)s1 Amb23437049 [0,1,0,0,0,0|2,1,0]=4 1192 B8R1.1 OCc1nnc(Cl)s1 Amb20242061 [0,1,0,0,0,0|2,1,0]=4 1193 B8R1.1 OCc1nnc(I)s1 Amb26516577 [0,1,0,0,0,0|2,1,0]=4 1194 B8R1.1 OCn1cc(Br)cn1 Amb6889569 [0,1,0,0,0,0|2,0,0]=3 1195 B8R1.1 OCn1cc(Cl)cn1 Amb1946089 [0,1,0,0,0,0|2,0,0]=3 1196 B8R1.1 OCn1cc(I)cn1 Amb32428135 [0,1,0,0,0,0|2,0,0]=3 1197 B8R1.1 OCn1ccc(Br)n1 Amb27805370 [0,1,0,0,0,0|2,0,0]=3 1198 B8R1.1 OCn1ccc(I)n1 Amb25349687 [0,1,0,0,0,0|2,0,0]=3 1199 B8R1.1 OCn1cnc(Br)n1 Amb22893536 [0,1,0,0,0,0|3,0,0]=4 1200 B8R1.1 OCn1cnc(Cl)n1 Amb22895831 [0,1,0,0,0,0|3,0,0]=4 1201 B8R1.1 ONc1nc(Cl)cs1 Amb27481094 [0,1,0,0,0,0|2,1,0]=4 1202 B8R1.1 Oc1cc(CCl)on1 Amb2444789 [0,1,0,0,0,0|2,0,0]=3 1203 B8R1.1 Oc1ccc(CS)o1 Amb27152480 [0,1,0,0,0,0|0,1,0]=2 1204 B8R1.1 Oc1coc(CF)n1 Amb28052999 [0,1,0,0,0,0|2,0,0]=3 1205 B8R1.1 Oc1csc(CCl)n1 Amb35710101 [0,1,0,0,0,0|2,1,0]=4 1206 B8R1.1 Oc1nc(CCl)cs1 Amb27751387 [0,1,0,0,0,0|3,0,0]=4 1207 B8R1.1 Oc1nc(CF)co1 Amb28434916 [0,1,0,0,0,0|3,0,0]=4 1208 B8R1.1 Oc1ncc(CF)o1 Amb27208642 [0,1,0,0,0,0|2,0,0]=3 1209 B8R1.1 SCc1cc(Br)co1 Amb28315696 [0,1,0,0,0,0|0,1,0]=2 1210 B8R1.1 SCc1cc(Br)cs1 Amb24483181 [0,1,0,0,0,0|0,2,0]=3 1211 B8R1.1 SCc1cc(Cl)co1 Amb25765416 [0,1,0,0,0,0|0,1,0]=2 1212 B8R1.1 SCc1cc(Cl)cs1 Amb32788728 [0,1,0,0,0,0|0,2,0]=3 1213 B8R1.1 SCc1cc(I)co1 Amb25310706 [0,1,0,0,0,0|0,1,0]=2 1214 B8R1.1 SCc1ccc(Br)o1 Amb24702374 [0,1,0,0,0,0|0,1,0]=2 1215 B8R1.1 SCc1ccc(Br)s1 Amb26479791 [0,1,0,0,0,0|0,2,0]=3 1216 B8R1.1 SCc1ccc(Cl)o1 Amb25962627 [0,1,0,0,0,0|0,1,0]=2 1217 B8R1.1 SCc1ccc(Cl)s1 Amb25879800 [0,1,0,0,0,0|0,2,0]=3 1218 B8R1.1 SCc1ccc(I)o1 Amb25863515 [0,1,0,0,0,0|0,1,0]=2 1219 B8R1.1 SCc1cnc(Cl)s1 Amb25770173 [0,1,0,0,0,0|1,2,0]=4 1220 B8R1.1 SCc1csc(Br)c1 Amb32788459 [0,1,0,0,0,0|2,1,0]=4 1221 B8R1.1 SCc1csc(Br)n1 Amb22298102 [0,1,0,0,0,0|2,1,0]=4 1222 B8R1.1 SCc1csc(Cl)n1 Amb27837561 [0,1,0,0,0,0|2,1,0]=4 1223 B8R1.1 SCc1csc(S)n1 Amb22298242 [0,1,0,0,0,0|2,1,0]=4 1224 B8R1.1 SCc1ncc(Br)s1 Amb32650893 [0,1,0,0,0,0|1,2,0]=4 1225 B8R1.1 SCc1ncc(Cl)s1 Amb32788322 [0,1,0,0,0,0|1,2,0]=4 1226 B8R1.1 SCc1ncc(I)s1 Amb32788569 [0,1,0,0,0,0|1,2,0]=4 1227 B8R1.1 [C-]#[N+]c1cc(C)no1 Amb33326781 [0,1,0,0,0,0|3,0,0]=4 1228 B8R1.1 [NH3+]c1nc(CBr)cs1 Amb3592002 [0,1,0,0,0,0|3,0,0]=4 1229 B8R1.7 C=C(Br)c1ccco1 Amb28075689 [0,1,0,0,0,0|1,0,1]=3 1230 B8R1.7 C=C(C)c1ccco1 Amb24532306 [0,1,0,0,0,0|1,0,1]=3 1231 B8R1.7 C=C(C)c1cccs1 Amb28141914 [0,1,0,0,0,0|1,1,1]=4 1232 B8R1.7 CB(Br)c1cccs1 Amb27636578 [0,1,0,0,0,0|2,1,0]=4 1233 B8R1.7 CC(=O)c1ccc[se]1 Amb17673999 [0,1,0,0,0,0|0,1,2]=4 1234 B8R1.7 CC(=O)c1ccco1 Amb2782007 [0,1,0,0,0,0|0,0,2]=3 1235 B8R1.7 CC(=O)c1cccs1 Amb2684284 [0,1,0,0,0,0|0,1,2]=4 1236 B8R1.7 CC(=O)c1ccno1 Amb20242198 [0,1,0,0,0,0|1,0,2]=4 1237 B8R1.7 CC(=O)c1cnco1 Amb24737064 [0,1,0,0,0,0|1,0,2]=4 1238 B8R1.7 CC(=O)c1ncco1 Amb19958429 [0,1,0,0,0,0|1,0,2]=4 1239 B8R1.7 CC(Br)c1cccs1 Amb17447081 [0,1,0,0,0,0|1,1,0]=3 1240 B8R1.7 CC(Br)c1nccs1 Amb32941904 [0,1,0,0,0,0|2,1,0]=4 1241 B8R1.7 CC(Br)c1nccs1 Amb33547779 [0,1,0,0,0,0|2,1,0]=4 1242 B8R1.7 CC(C)=C1C=CC=C1 Amb2720978 [0,1,0,0,0,0|2,0,1]=4 1243 B8R1.7 CC(C)C1=CC=CC1 Amb22227970 [0,1,0,0,0,0|2,0,0]=3 1244 B8R1.7 CC(C)C1C=CC=C1 Amb22736083 [0,1,0,0,0,0|2,0,1]=4 1245 B8R1.7 CC(C)c1ccco1 Amb22168231 [0,1,0,0,0,0|1,0,0]=2 1246 B8R1.7 CC(C)c1cccs1 Amb17689449 [0,1,0,0,0,0|1,1,0]=3 1247 B8R1.7 CC(C)c1cnco1 Amb24641479 [0,1,0,0,0,0|2,0,0]=3 1248 B8R1.7 CC(C)c1cncs1 Amb22001688 [0,1,0,0,0,0|2,1,0]=4 1249 B8R1.7 CC(C)c1cocn1 Amb27755493 [0,1,0,0,0,0|3,0,0]=4 1250 B8R1.7 CC(C)c1cscn1 Amb13884092 [0,1,0,0,0,0|3,0,0]=4 1251 B8R1.7 CC(C)c1ncco1 Amb17399790 [0,1,0,0,0,0|2,0,0]=3 1252 B8R1.7 CC(C)c1nccs1 Amb10601014 [0,1,0,0,0,0|2,1,0]=4 1253 B8R1.7 CC(C)n1cccn1 Amb2582754 [0,1,0,0,0,0|3,0,0]=4 1254 B8R1.7 CC(Cl)c1ccco1 Amb17138373 [0,1,0,0,0,0|1,0,0]=2 1255 B8R1.7 CC(Cl)c1cccs1 Amb17138413 [0,1,0,0,0,0|1,1,0]=3 1256 B8R1.7 CC(Cl)c1ccns1 Amb26965614 [0,1,0,0,0,0|2,1,0]=4 1257 B8R1.7 CC(Cl)c1nccs1 Amb20618291 [0,1,0,0,0,0|2,1,0]=4 1258 B8R1.7 CC(Cl)c1ncno1 Amb19375376 [0,1,0,0,0,0|3,0,0]=4 1259 B8R1.7 CC(Cl)c1nnco1 Amb28207552 [0,1,0,0,0,0|3,0,0]=4 1260 B8R1.7 CC(Cl)n1cccn1 Amb27881847 [0,1,0,0,0,0|3,0,0]=4 1261 B8R1.7 CC(N)=C1C=CC=C1 Amb27245689 [0,1,0,0,0,0|2,0,1]=4 1262 B8R1.7 CC(N)c1ccco1 Amb6893074 [0,1,0,0,0,0|1,0,0]=2 1263 B8R1.7 CC(N)c1ccco1 Amb9745704 [0,1,0,0,0,0|1,0,0]=2 1264 B8R1.7 CC(N)c1cccs1 Amb1790688 [0,1,0,0,0,0|1,1,0]=3 1265 B8R1.7 CC(N)c1cccs1 Amb6487447 [0,1,0,0,0,0|1,1,0]=3 1266 B8R1.7 CC(N)c1ccno1 Amb8009695 [0,1,0,0,0,0|2,0,0]=3 1267 B8R1.7 CC(N)c1ccns1 Amb18202953 [0,1,0,0,0,0|2,1,0]=4 1268 B8R1.7 CC(N)c1ccns1 Amb28934887 [0,1,0,0,0,0|2,1,0]=4 1269 B8R1.7 CC(N)c1ccns1 Amb32670745 [0,1,0,0,0,0|2,1,0]=4 1270 B8R1.7 CC(N)c1ccoc1 Amb20622299 [0,1,0,0,0,0|3,0,0]=4 1271 B8R1.7 CC(N)c1ccoc1 Amb22011563 [0,1,0,0,0,0|3,0,0]=4 1272 B8R1.7 CC(N)c1ccon1 Amb8009386 [0,1,0,0,0,0|3,0,0]=4 1273 B8R1.7 CC(N)c1ccsc1 Amb13952135 [0,1,0,0,0,0|3,0,0]=4 1274 B8R1.7 CC(N)c1cnco1 Amb22233789 [0,1,0,0,0,0|2,0,0]=3 1275 B8R1.7 CC(N)c1cnco1 Amb32651648 [0,1,0,0,0,0|2,0,0]=3 1276 B8R1.7 CC(N)c1cnco1 Amb8009704 [0,1,0,0,0,0|2,0,0]=3 1277 B8R1.7 CC(N)c1cncs1 Amb32666049 [0,1,0,0,0,0|2,1,0]=4 1278 B8R1.7 CC(N)c1cncs1 Amb32687458 [0,1,0,0,0,0|2,1,0]=4 1279 B8R1.7 CC(N)c1cncs1 Amb5758538 [0,1,0,0,0,0|2,1,0]=4 1280 B8R1.7 CC(N)c1cocn1 Amb35752619 [0,1,0,0,0,0|3,0,0]=4 1281 B8R1.7 CC(N)c1cocn1 Amb8009706 [0,1,0,0,0,0|3,0,0]=4 1282 B8R1.7 CC(N)c1cscn1 Amb21956129 [0,1,0,0,0,0|3,0,0]=4 1283 B8R1.7 CC(N)c1cscn1 Amb33542524 [0,1,0,0,0,0|3,0,0]=4 1284 B8R1.7 CC(N)c1ncco1 Amb28934825 [0,1,0,0,0,0|2,0,0]=3 1285 B8R1.7 CC(N)c1ncco1 Amb8009702 [0,1,0,0,0,0|2,0,0]=3 1286 B8R1.7 CC(N)c1nccs1 Amb21857830 [0,1,0,0,0,0|2,1,0]=4 1287 B8R1.7 CC(N)c1nccs1 Amb21928079 [0,1,0,0,0,0|2,1,0]=4 1288 B8R1.7 CC(N)c1nccs1 Amb5740489 [0,1,0,0,0,0|2,1,0]=4 1289 B8R1.7 CC(N)c1ncno1 Amb33330110 [0,1,0,0,0,0|3,0,0]=4 1290 B8R1.7 CC(N)c1ncno1 Amb8009699 [0,1,0,0,0,0|3,0,0]=4 1291 B8R1.7 CC(N)c1nnco1 Amb17079553 [0,1,0,0,0,0|3,0,0]=4 1292 B8R1.7 CC(O)C1=CCCO1 Amb28369933 [0,1,0,0,0,0|0,0,2]=3 1293 B8R1.7 CC(O)C1C=CCO1 Amb28284516 [0,1,0,0,0,0|0,0,2]=3 1294 B8R1.7 CC(O)c1ccco1 Amb2725588 [0,1,0,0,0,0|0,0,0]=1 1295 B8R1.7 CC(O)c1cccs1 Amb5722410 [0,1,0,0,0,0|0,1,0]=2 1296 B8R1.7 CC(O)c1ccno1 Amb27205103 [0,1,0,0,0,0|1,0,0]=2 1297 B8R1.7 CC(O)c1ccns1 Amb27474829 [0,1,0,0,0,0|1,1,0]=3 1298 B8R1.7 CC(O)c1ccoc1 Amb2440797 [0,1,0,0,0,0|2,0,0]=3 1299 B8R1.7 CC(O)c1ccsc1 Amb26017991 [0,1,0,0,0,0|2,0,0]=3 1300 B8R1.7 CC(O)c1cnco1 Amb33295049 [0,1,0,0,0,0|1,0,0]=2 1301 B8R1.7 CC(O)c1cncs1 Amb19515392 [0,1,0,0,0,0|1,1,0]=3 1302 B8R1.7 CC(O)c1cncs1 Amb32666046 [0,1,0,0,0,0|1,1,0]=3 1303 B8R1.7 CC(O)c1cnns1 Amb28126694 [0,1,0,0,0,0|2,1,0]=4 1304 B8R1.7 CC(O)c1cnsc1 Amb30019748 [0,1,0,0,0,0|3,0,0]=4 1305 B8R1.7 CC(O)c1cnsn1 Amb27234545 [0,1,0,0,0,0|3,0,0]=4 1306 B8R1.7 CC(O)c1cocn1 Amb24412519 [0,1,0,0,0,0|2,0,0]=3 1307 B8R1.7 CC(O)c1cscn1 Amb26858695 [0,1,0,0,0,0|2,0,0]=3 1308 B8R1.7 CC(O)c1csnn1 Amb25797224 [0,1,0,0,0,0|3,0,0]=4 1309 B8R1.7 CC(O)c1nccs1 Amb19649204 [0,1,0,0,0,0|1,1,0]=3 1310 B8R1.7 CC(O)c1ncon1 Amb27219491 [0,1,0,0,0,0|3,0,0]=4 1311 B8R1.7 CC(O)n1cncn1 Amb28401095 [0,1,0,0,0,0|3,0,0]=4 1312 B8R1.7 CC(S)c1ccco1 Amb9208025 [0,1,0,0,0,0|0,1,0]=2 1313 B8R1.7 CC(S)c1cccs1 Amb9204475 [0,1,0,0,0,0|0,2,0]=3 1314 B8R1.7 CC(S)c1ccns1 Amb32788286 [0,1,0,0,0,0|1,2,0]=4 1315 B8R1.7 CC(S)c1ccoc1 Amb25727398 [0,1,0,0,0,0|2,1,0]=4 1316 B8R1.7 CC(S)c1ccsc1 Amb26899358 [0,1,0,0,0,0|2,1,0]=4 1317 B8R1.7 CC(S)c1cncs1 Amb27800439 [0,1,0,0,0,0|1,2,0]=4 1318 B8R1.7 CC(S)c1cscn1 Amb25103852 [0,1,0,0,0,0|2,1,0]=4 1319 B8R1.7 CC(S)c1nccs1 Amb27244796 [0,1,0,0,0,0|1,2,0]=4 1320 B8R1.7 CC([NH3+])c1ccon1 Amb4303247 [0,1,0,0,0,0|3,0,0]=4 1321 B8R1.7 CN(C)c1ccno1 Amb25861881 [0,1,0,0,0,0|3,0,0]=4 1322 B8R1.7 CN(O)c1nccs1 Amb27186197 [0,1,0,0,0,0|2,1,0]=4 1323 B8R1.7 C[C@@H](N)c1ccco1 Amb13952986 [0,1,0,0,0,0|1,0,0]=2 1324 B8R1.7 C[C@@H](N)c1ccco1 Amb30526698 [0,1,0,0,0,0|1,0,0]=2 1325 B8R1.7 C[C@@H](N)c1cccs1 Amb13952998 [0,1,0,0,0,0|1,1,0]=3 1326 B8R1.7 C[C@@H](N)c1ccoc1 Amb27167242 [0,1,0,0,0,0|3,0,0]=4 1327 B8R1.7 C[C@@H](N)c1ccoc1 Amb33804567 [0,1,0,0,0,0|3,0,0]=4 1328 B8R1.7 C[C@@H](N)c1ccsc1 Amb27666475 [0,1,0,0,0,0|3,0,0]=4 1329 B8R1.7 C[C@@H](N)c1cnco1 Amb22748747 [0,1,0,0,0,0|2,0,0]=3 1330 B8R1.7 C[C@@H](N)c1cncs1 Amb19374315 [0,1,0,0,0,0|2,1,0]=4 1331 B8R1.7 C[C@@H](N)c1cncs1 Amb32941942 [0,1,0,0,0,0|2,1,0]=4 1332 B8R1.7 C[C@@H](N)c1cscn1 Amb26968250 [0,1,0,0,0,0|3,0,0]=4 1333 B8R1.7 C[C@@H](N)c1ncco1 Amb19374517 [0,1,0,0,0,0|2,0,0]=3 1334 B8R1.7 C[C@@H](N)c1nccs1 Amb19115342 [0,1,0,0,0,0|2,1,0]=4 1335 B8R1.7 C[C@@H](N)c1nccs1 Amb22754035 [0,1,0,0,0,0|2,1,0]=4 1336 B8R1.7 C[C@@H](O)C1=CC=CC1 Amb27763807 [0,1,0,0,0,0|1,0,0]=2 1337 B8R1.7 C[C@@H](O)c1ccco1 Amb8515979 [0,1,0,0,0,0|0,0,0]=1 1338 B8R1.7 C[C@@H](O)c1ccns1 Amb33483071 [0,1,0,0,0,0|1,1,0]=3 1339 B8R1.7 C[C@@H](O)c1ccoc1 Amb27668136 [0,1,0,0,0,0|2,0,0]=3 1340 B8R1.7 C[C@@H](O)c1ccon1 Amb33226152 [0,1,0,0,0,0|2,0,0]=3 1341 B8R1.7 C[C@@H](O)c1ccsc1 Amb27852673 [0,1,0,0,0,0|2,0,0]=3 1342 B8R1.7 C[C@@H](O)c1cncs1 Amb19515388 [0,1,0,0,0,0|1,1,0]=3 1343 B8R1.7 C[C@@H](O)c1csnn1 Amb33321939 [0,1,0,0,0,0|3,0,0]=4 1344 B8R1.7 C[C@@H](O)c1nccs1 Amb19338124 [0,1,0,0,0,0|1,1,0]=3 1345 B8R1.7 C[C@H](N)c1ccco1 Amb13952985 [0,1,0,0,0,0|1,0,0]=2 1346 B8R1.7 C[C@H](N)c1ccco1 Amb28934820 [0,1,0,0,0,0|1,0,0]=2 1347 B8R1.7 C[C@H](N)c1cccs1 Amb13952997 [0,1,0,0,0,0|1,1,0]=3 1348 B8R1.7 C[C@H](N)c1cccs1 Amb33872484 [0,1,0,0,0,0|1,1,0]=3 1349 B8R1.7 C[C@H](N)c1ccoc1 Amb24455235 [0,1,0,0,0,0|3,0,0]=4 1350 B8R1.7 C[C@H](N)c1ccoc1 Amb33804052 [0,1,0,0,0,0|3,0,0]=4 1351 B8R1.7 C[C@H](N)c1ccon1 Amb32954569 [0,1,0,0,0,0|3,0,0]=4 1352 B8R1.7 C[C@H](N)c1ccsc1 Amb22641886 [0,1,0,0,0,0|3,0,0]=4 1353 B8R1.7 C[C@H](N)c1cnco1 Amb28363873 [0,1,0,0,0,0|2,0,0]=3 1354 B8R1.7 C[C@H](N)c1cncs1 Amb24481398 [0,1,0,0,0,0|2,1,0]=4 1355 B8R1.7 C[C@H](N)c1cncs1 Amb33109887 [0,1,0,0,0,0|2,1,0]=4 1356 B8R1.7 C[C@H](N)c1cscn1 Amb26983763 [0,1,0,0,0,0|3,0,0]=4 1357 B8R1.7 C[C@H](N)c1nccs1 Amb17602653 [0,1,0,0,0,0|2,1,0]=4 1358 B8R1.7 C[C@H](N)c1nccs1 Amb23385338 [0,1,0,0,0,0|2,1,0]=4 1359 B8R1.7 C[C@H](O)C1=CC=CC1 Amb28079112 [0,1,0,0,0,0|1,0,0]=2 1360 B8R1.7 C[C@H](O)C1=CCCC1 Amb27781375 [0,1,0,0,0,0|1,0,2]=4 1361 B8R1.7 C[C@H](O)c1ccco1 Amb8515981 [0,1,0,0,0,0|0,0,0]=1 1362 B8R1.7 C[C@H](O)c1cccs1 Amb13952996 [0,1,0,0,0,0|0,1,0]=2 1363 B8R1.7 C[C@H](O)c1ccns1 Amb33483067 [0,1,0,0,0,0|1,1,0]=3 1364 B8R1.7 C[C@H](O)c1ccoc1 Amb27644198 [0,1,0,0,0,0|2,0,0]=3 1365 B8R1.7 C[C@H](O)c1ccon1 Amb33198776 [0,1,0,0,0,0|2,0,0]=3 1366 B8R1.7 C[C@H](O)c1ccsc1 Amb26026025 [0,1,0,0,0,0|2,0,0]=3 1367 B8R1.7 C[C@H](O)c1cncs1 Amb25697062 [0,1,0,0,0,0|1,1,0]=3 1368 B8R1.7 C[C@H](O)c1cncs1 Amb32941861 [0,1,0,0,0,0|1,1,0]=3 1369 B8R1.7 C[C@H](O)c1cscn1 Amb24568211 [0,1,0,0,0,0|2,0,0]=3 1370 B8R1.7 C[C@H](O)c1csnn1 Amb33321938 [0,1,0,0,0,0|3,0,0]=4 1371 B8R1.7 C[C@H](O)c1nccs1 Amb28280646 [0,1,0,0,0,0|1,1,0]=3 1372 B8R1.7 C[SiH](C)c1ccco1 Amb27624813 [0,1,0,0,0,0|1,1,0]=3 1373 B8R1.7 ClC(Cl)c1ccno1 Amb27860280 [0,1,0,0,0,0|2,0,0]=3 1374 B8R1.7 ClP(Cl)c1cccs1 Amb4297331 [0,1,0,0,0,0|2,1,0]=4 1375 B8R1.7 Cl[SiH](Cl)c1cccs1 Amb27847661 [0,1,0,0,0,0|1,2,0]=4 1376 B8R1.7 FC(F)c1ccco1 Amb26600908 [0,1,0,0,0,0|1,0,0]=2 1377 B8R1.7 FC(F)c1cccs1 Amb26966095 [0,1,0,0,0,0|1,1,0]=3 1378 B8R1.7 FC(F)c1cnco1 Amb29849596 [0,1,0,0,0,0|2,0,0]=3 1379 B8R1.7 FC(F)c1nccs1 Amb31377735 [0,1,0,0,0,0|2,1,0]=4 1380 B8R1.7 FC(F)n1cccn1 Amb33528365 [0,1,0,0,0,0|3,0,0]=4 1381 B8R1.7 N=C(N)c1ccco1 Amb13952844 [0,1,0,0,0,0|1,0,1]=3 1382 B8R1.7 N=C(N)c1ccco1 Amb2695169 [0,1,0,0,0,0|1,0,1]=3 1383 B8R1.7 N=C(N)c1ccco1 Amb9210508 [0,1,0,0,0,0|1,0,1]=3 1384 B8R1.7 N=C(N)c1cccs1 Amb2684312 [0,1,0,0,0,0|1,1,1]=4 1385 B8R1.7 N=C(N)c1cnco1 Amb25200229 [0,1,0,0,0,0|2,0,1]=4 1386 B8R1.7 N=C(O)c1cocn1 Amb21928044 [0,1,0,0,0,0|2,0,1]=4 1387 B8R1.7 NC(=O)c1ccco1 Amb6373632 [0,1,0,0,0,0|0,0,2]=3 1388 B8R1.7 NC(=O)c1cccs1 Amb2722696 [0,1,0,0,0,0|0,1,2]=4 1389 B8R1.7 NC(=O)c1ccno1 Amb4477414 [0,1,0,0,0,0|1,0,2]=4 1390 B8R1.7 NC(=O)c1cnco1 Amb22000976 [0,1,0,0,0,0|1,0,2]=4 1391 B8R1.7 NC(=O)c1ncco1 Amb21963562 [0,1,0,0,0,0|1,0,2]=4 1392 B8R1.7 NC(=S)c1ccco1 Amb2099744 [0,1,0,0,0,0|0,1,1]=3 1393 B8R1.7 NC(=S)c1cccs1 Amb1152349 [0,1,0,0,0,0|0,2,1]=4 1394 B8R1.7 NC(=S)c1ccno1 Amb2726012 [0,1,0,0,0,0|1,1,1]=4 1395 B8R1.7 NC(=S)c1cnco1 Amb21928050 [0,1,0,0,0,0|1,1,1]=4 1396 B8R1.7 NC(N)=C1C=CC=N1 Amb25711339 [0,1,0,0,0,0|2,0,1]=4 1397 B8R1.7 NC(O)c1cccs1 Amb27186320 [0,1,0,0,0,0|0,1,0]=2 1398 B8R1.7 O=C(Br)c1cccs1 Amb27239935 [0,1,0,0,0,0|0,1,2]=4 1399 B8R1.7 O=C(Cl)c1ccco1 Amb2716231 [0,1,0,0,0,0|0,0,2]=3 1400 B8R1.7 O=C(Cl)c1cccs1 Amb1157175 [0,1,0,0,0,0|0,1,2]=4 1401 B8R1.7 O=C(Cl)c1ccno1 Amb2689052 [0,1,0,0,0,0|1,0,2]=4 1402 B8R1.7 O=C(Cl)c1cnco1 Amb26915176 [0,1,0,0,0,0|1,0,2]=4 1403 B8R1.7 O=C(O)C1=CCCO1 Amb19148920 [0,1,0,0,0,0|0,0,3]=4 1404 B8R1.7 O=C(O)C1C=CCO1 Amb18641762 [0,1,0,0,0,0|0,0,3]=4 1405 B8R1.7 O=C(O)C1OC=CS1 Amb27489874 [0,1,0,0,0,0|1,0,2]=4 1406 B8R1.7 O=C(O)[c-]1cccc1 Amb33801890 [0,1,0,0,0,0|1,0,2]=4 1407 B8R1.7 O=C(O)[c-]1cccc1 Amb34916034 [0,1,0,0,0,0|1,0,2]=4 1408 B8R1.7 O=C(O)c1ccc[se]1 Amb2611630 [0,1,0,0,0,0|0,1,1]=3 1409 B8R1.7 O=C(O)c1ccco1 Amb6335264 [0,1,0,0,0,0|0,0,1]=2 1410 B8R1.7 O=C(O)c1cccs1 Amb2690602 [0,1,0,0,0,0|0,1,1]=3 1411 B8R1.7 O=C(O)c1ccno1 Amb1152220 [0,1,0,0,0,0|1,0,1]=3 1412 B8R1.7 O=C(O)c1ccns1 Amb1091955 [0,1,0,0,0,0|1,1,1]=4 1413 B8R1.7 O=C(O)c1ccoc1 Amb2720344 [0,1,0,0,0,0|2,0,1]=4 1414 B8R1.7 O=C(O)c1ccon1 Amb8386353 [0,1,0,0,0,0|2,0,1]=4 1415 B8R1.7 O=C(O)c1ccsc1 Amb1156673 [0,1,0,0,0,0|2,0,1]=4 1416 B8R1.7 O=C(O)c1ccsn1 Amb19894963 [0,1,0,0,0,0|2,0,1]=4 1417 B8R1.7 O=C(O)c1cnco1 Amb1158212 [0,1,0,0,0,0|1,0,1]=3 1418 B8R1.7 O=C(O)c1cncs1 Amb1158214 [0,1,0,0,0,0|1,1,1]=4 1419 B8R1.7 O=C(O)c1cocn1 Amb10071584 [0,1,0,0,0,0|2,0,1]=4 1420 B8R1.7 O=C(O)c1cscn1 Amb17039667 [0,1,0,0,0,0|2,0,1]=4 1421 B8R1.7 O=C(O)c1cscn1 Amb2455731 [0,1,0,0,0,0|2,0,1]=4 1422 B8R1.7 O=C(O)c1ncco1 Amb8009395 [0,1,0,0,0,0|1,0,1]=3 1423 B8R1.7 O=C(O)c1nccs1 Amb6572012 [0,1,0,0,0,0|1,1,1]=4 1424 B8R1.7 O=C(O)c1ncno1 Amb8009397 [0,1,0,0,0,0|2,0,1]=4 1425 B8R1.7 O=C(O)c1nnco1 Amb21964326 [0,1,0,0,0,0|2,0,1]=4 1426 B8R1.7 O=C(O)n1cccc1 Amb17938698 [0,1,0,0,0,0|2,0,1]=4 1427 B8R1.7 O=C([O-])c1cccs1 Amb10067272 [0,1,0,0,0,0|0,1,2]=4 1428 B8R1.7 O=C([O-])c1ncco1 Amb33547593 [0,1,0,0,0,0|1,0,2]=4 1429 B8R1.7 O=C([O-])c1ncco1 Amb33733801 [0,1,0,0,0,0|1,0,2]=4 1430 B8R1.7 O=N(=O)c1cccs1 Amb20621934 [0,1,0,0,0,0|1,1,1]=4 1431 B8R1.7 O=S(Cl)c1cccs1 Amb18563780 [0,1,0,0,0,0|1,1,1]=4 1432 B8R1.7 O=S(O)c1cccs1 Amb18063457 [0,1,0,0,0,0|1,1,0]=3 1433 B8R1.7 O=S([O-])c1ccco1 Amb32754730 [0,1,0,0,0,0|1,0,1]=3 1434 B8R1.7 O=S([O-])c1cccs1 Amb19944454 [0,1,0,0,0,0|1,1,1]=4 1435 B8R1.7 O=[N+]([O-])c1ccco1 Amb10573954 [0,1,0,0,0,0|1,0,1]=3 1436 B8R1.7 O=[N+]([O-])c1cccs1 Amb1208024 [0,1,0,0,0,0|1,1,1]=4 1437 B8R1.7 O=[N+]([O-])c1ncco1 Amb27438667 [0,1,0,0,0,0|2,0,1]=4 1438 B8R1.7 OB(O)C1=CCCO1 Amb22168857 [0,1,0,0,0,0|1,0,2]=4 1439 B8R1.7 OB(O)c1ccc[se]1 Amb10070609 [0,1,0,0,0,0|1,1,0]=3 1440 B8R1.7 OB(O)c1ccco1 Amb2235054 [0,1,0,0,0,0|1,0,0]=2 1441 B8R1.7 OB(O)c1cccs1 Amb2720322 [0,1,0,0,0,0|1,1,0]=3 1442 B8R1.7 OB(O)c1ccno1 Amb26339069 [0,1,0,0,0,0|2,0,0]=3 1443 B8R1.7 OB(O)c1ccns1 Amb22756461 [0,1,0,0,0,0|2,1,0]=4 1444 B8R1.7 OB(O)c1ccoc1 Amb2456008 [0,1,0,0,0,0|3,0,0]=4 1445 B8R1.7 OB(O)c1ccon1 Amb24725864 [0,1,0,0,0,0|3,0,0]=4 1446 B8R1.7 OB(O)c1ccsc1 Amb2456056 [0,1,0,0,0,0|3,0,0]=4 1447 B8R1.7 OB(O)c1cnco1 Amb20248129 [0,1,0,0,0,0|2,0,0]=3 1448 B8R1.7 OB(O)c1cncs1 Amb24055141 [0,1,0,0,0,0|2,1,0]=4 1449 B8R1.7 OB(O)c1cscn1 Amb19958736 [0,1,0,0,0,0|3,0,0]=4 1450 B8R1.7 OB(O)c1nccs1 Amb8010553 [0,1,0,0,0,0|2,1,0]=4 1451 B8R1.7 OB(O)c1nnco1 Amb27780667 [0,1,0,0,0,0|3,0,0]=4 1452 B8R1.7 OB(O)n1cccn1 Amb28399519 [0,1,0,0,0,0|3,0,0]=4 1453 B8R1.8 BrC#Cc1cccs1 Amb17940364 [0,1,0,0,0,0|1,1,1]=4 1454 B8R1.8 BrCCc1ccco1 Amb22752866 [0,1,0,0,0,0|1,0,0]=2 1455 B8R1.8 BrCCc1cccs1 Amb16234134 [0,1,0,0,0,0|1,1,0]=3 1456 B8R1.8 BrCCc1ccns1 Amb24622827 [0,1,0,0,0,0|2,1,0]=4 1457 B8R1.8 BrCCc1ccoc1 Amb19374721 [0,1,0,0,0,0|3,0,0]=4 1458 B8R1.8 BrCCc1ccon1 Amb33334704 [0,1,0,0,0,0|3,0,0]=4 1459 B8R1.8 BrCCc1ccsc1 Amb18325324 [0,1,0,0,0,0|3,0,0]=4 1460 B8R1.8 BrCCc1cnco1 Amb33335799 [0,1,0,0,0,0|2,0,0]=3 1461 B8R1.8 BrCCc1cncs1 Amb27438892 [0,1,0,0,0,0|2,1,0]=4 1462 B8R1.8 BrCCc1cscn1 Amb24357977 [0,1,0,0,0,0|3,0,0]=4 1463 B8R1.8 BrCCc1cscn1 Amb33482927 [0,1,0,0,0,0|3,0,0]=4 1464 B8R1.8 BrCCc1nccs1 Amb25189038 [0,1,0,0,0,0|2,1,0]=4 1465 B8R1.8 BrCCn1cccc1 Amb17933298 [0,1,0,0,0,0|3,0,0]=4 1466 B8R1.8 BrCCn1cccn1 Amb32663107 [0,1,0,0,0,0|3,0,0]=4 1467 B8R1.8 BrCCn1cccn1 Amb4303942 [0,1,0,0,0,0|3,0,0]=4 1468 B8R1.8 Br\C=C\c1ccco1 Amb33134803 [0,1,0,0,0,0|1,0,1]=3 1469 B8R1.8 Br\C=C\c1cccs1 Amb33134763 [0,1,0,0,0,0|1,1,1]=4 1470 B8R1.8 C#CCc1ccco1 Amb26445263 [0,1,0,0,0,0|1,0,0]=2 1471 B8R1.8 C#CCc1cccs1 Amb26358472 [0,1,0,0,0,0|1,1,0]=3 1472 B8R1.8 C#CCc1ccoc1 Amb33360480 [0,1,0,0,0,0|3,0,0]=4 1473 B8R1.8 C#CCc1ccon1 Amb33197572 [0,1,0,0,0,0|3,0,0]=4 1474 B8R1.8 C#CCc1ccsc1 Amb24653945 [0,1,0,0,0,0|3,0,0]=4 1475 B8R1.8 C#CCc1cnco1 Amb26004313 [0,1,0,0,0,0|2,0,0]=3 1476 B8R1.8 C#CCc1cncs1 Amb33269140 [0,1,0,0,0,0|2,1,0]=4 1477 B8R1.8 C#CCc1cscn1 Amb33360387 [0,1,0,0,0,0|3,0,0]=4 1478 B8R1.8 C#CCc1nccs1 Amb27227632 [0,1,0,0,0,0|2,1,0]=4 1479 B8R1.8 C#CCn1cccc1 Amb9480157 [0,1,0,0,0,0|3,0,0]=4 1480 B8R1.8 C#CCn1cccn1 Amb19373110 [0,1,0,0,0,0|3,0,0]=4 1481 B8R1.8 C#NCc1ccco1 Amb31132339 [0,1,0,0,0,0|1,0,0]=2 1482 B8R1.8 C#NCc1cccs1 Amb31132456 [0,1,0,0,0,0|1,1,0]=3 1483 B8R1.8 C=C=Cc1ccco1 Amb27638814 [0,1,0,0,0,0|1,0,1]=3 1484 B8R1.8 C=CCc1ccco1 Amb26612842 [0,1,0,0,0,0|1,0,0]=2 1485 B8R1.8 C=CCc1cccs1 Amb27882648 [0,1,0,0,0,0|1,1,0]=3 1486 B8R1.8 C=CCc1ccns1 Amb27205998 [0,1,0,0,0,0|2,1,0]=4 1487 B8R1.8 C=CCc1ccsc1 Amb27799958 [0,1,0,0,0,0|3,0,0]=4 1488 B8R1.8 C=CCc1cncs1 Amb35625105 [0,1,0,0,0,0|2,1,0]=4 1489 B8R1.8 C=CCn1cccc1 Amb9371428 [0,1,0,0,0,0|3,0,0]=4 1490 B8R1.8 C=CCn1cccn1 Amb4036063 [0,1,0,0,0,0|3,0,0]=4 1491 B8R1.8 C=NCc1ccco1 Amb28287800 [0,1,0,0,0,0|1,0,0]=2 1492 B8R1.8 C=NCc1cccs1 Amb27964411 [0,1,0,0,0,0|1,1,0]=3 1493 B8R1.8 C=NCc1nccs1 Amb24517142 [0,1,0,0,0,0|2,1,0]=4 1494 B8R1.8 CC#Cc1cccs1 Amb27878886 [0,1,0,0,0,0|1,1,1]=4 1495 B8R1.8 CC#Cc1cnco1 Amb27768597 [0,1,0,0,0,0|2,0,1]=4 1496 B8R1.8 CCCc1ccco1 Amb10070288 [0,1,0,0,0,0|1,0,0]=2 1497 B8R1.8 CCCc1cccs1 Amb2690417 [0,1,0,0,0,0|1,1,0]=3 1498 B8R1.8 CCCc1ccsc1 Amb17689448 [0,1,0,0,0,0|3,0,0]=4 1499 B8R1.8 CCCc1cnco1 Amb35647887 [0,1,0,0,0,0|2,0,0]=3 1500 B8R1.8 CCCc1cncs1 Amb27954740 [0,1,0,0,0,0|2,1,0]=4 1501 B8R1.8 CCCc1cscn1 Amb13884094 [0,1,0,0,0,0|3,0,0]=4 1502 B8R1.8 CCCc1nccs1 Amb2725496 [0,1,0,0,0,0|2,1,0]=4 1503 B8R1.8 CCCn1cccn1 Amb6889733 [0,1,0,0,0,0|3,0,0]=4 1504 B8R1.8 CCNc1ccco1 Amb27593280 [0,1,0,0,0,0|1,0,0]=2 1505 B8R1.8 CCNc1cncs1 Amb25360802 [0,1,0,0,0,0|2,1,0]=4 1506 B8R1.8 CCNc1ncco1 Amb25744100 [0,1,0,0,0,0|2,0,0]=3 1507 B8R1.8 CCNc1nccs1 Amb6626337 [0,1,0,0,0,0|2,1,0]=4 1508 B8R1.8 CCNc1nnco1 Amb26566803 [0,1,0,0,0,0|3,0,0]=4 1509 B8R1.8 CCOc1ncco1 Amb28196629 [0,1,0,0,0,0|2,0,0]=3 1510 B8R1.8 CCOc1nccs1 Amb2455931 [0,1,0,0,0,0|2,1,0]=4 1511 B8R1.8 CCSc1ccco1 Amb27667158 [0,1,0,0,0,0|1,0,0]=2 1512 B8R1.8 CCSc1cccs1 Amb17845323 [0,1,0,0,0,0|1,1,0]=3 1513 B8R1.8 CCSc1ccsc1 Amb27797484 [0,1,0,0,0,0|3,0,0]=4 1514 B8R1.8 CCSc1ncco1 Amb28365973 [0,1,0,0,0,0|2,0,0]=3 1515 B8R1.8 CCSc1nccs1 Amb27230033 [0,1,0,0,0,0|2,1,0]=4 1516 B8R1.8 CNCC1=CCCO1 Amb28048914 [0,1,0,0,0,0|1,0,2]=4 1517 B8R1.8 CNCc1ccco1 Amb1153202 [0,1,0,0,0,0|1,0,0]=2 1518 B8R1.8 CNCc1ccco1 Amb7172520 [0,1,0,0,0,0|1,0,0]=2 1519 B8R1.8 CNCc1cccs1 Amb1152299 [0,1,0,0,0,0|1,1,0]=3 1520 B8R1.8 CNCc1cccs1 Amb6344856 [0,1,0,0,0,0|1,1,0]=3 1521 B8R1.8 CNCc1ccno1 Amb8009694 [0,1,0,0,0,0|2,0,0]=3 1522 B8R1.8 CNCc1ccns1 Amb24552327 [0,1,0,0,0,0|2,1,0]=4 1523 B8R1.8 CNCc1ccoc1 Amb2237058 [0,1,0,0,0,0|3,0,0]=4 1524 B8R1.8 CNCc1ccon1 Amb22491522 [0,1,0,0,0,0|3,0,0]=4 1525 B8R1.8 CNCc1ccon1 Amb8009693 [0,1,0,0,0,0|3,0,0]=4 1526 B8R1.8 CNCc1ccsc1 Amb1154137 [0,1,0,0,0,0|3,0,0]=4 1527 B8R1.8 CNCc1ccsc1 Amb6344857 [0,1,0,0,0,0|3,0,0]=4 1528 B8R1.8 CNCc1ccsn1 Amb27448933 [0,1,0,0,0,0|3,0,0]=4 1529 B8R1.8 CNCc1cnco1 Amb8009703 [0,1,0,0,0,0|2,0,0]=3 1530 B8R1.8 CNCc1cncs1 Amb33756946 [0,1,0,0,0,0|2,1,0]=4 1531 B8R1.8 CNCc1cncs1 Amb8009692 [0,1,0,0,0,0|2,1,0]=4 1532 B8R1.8 CNCc1cocn1 Amb8009705 [0,1,0,0,0,0|3,0,0]=4 1533 B8R1.8 CNCc1cscn1 Amb22586641 [0,1,0,0,0,0|3,0,0]=4 1534 B8R1.8 CNCc1cscn1 Amb24079179 [0,1,0,0,0,0|3,0,0]=4 1535 B8R1.8 CNCc1cscn1 Amb8009708 [0,1,0,0,0,0|3,0,0]=4 1536 B8R1.8 CNCc1ncco1 Amb8009701 [0,1,0,0,0,0|2,0,0]=3 1537 B8R1.8 CNCc1nccs1 Amb21959839 [0,1,0,0,0,0|2,1,0]=4 1538 B8R1.8 CNCc1nccs1 Amb7543836 [0,1,0,0,0,0|2,1,0]=4 1539 B8R1.8 CNCc1ncno1 Amb20629188 [0,1,0,0,0,0|3,0,0]=4 1540 B8R1.8 CNCc1ncno1 Amb8009698 [0,1,0,0,0,0|3,0,0]=4 1541 B8R1.8 CNCc1nnco1 Amb18284503 [0,1,0,0,0,0|3,0,0]=4 1542 B8R1.8 COCC1CC=CC1 Amb25983815 [0,1,0,0,0,0|1,0,2]=4 1543 B8R1.8 COCc1ccco1 Amb24116969 [0,1,0,0,0,0|0,0,0]=1 1544 B8R1.8 COCc1cccs1 Amb25169518 [0,1,0,0,0,0|0,1,0]=2 1545 B8R1.8 COCc1ccno1 Amb28316180 [0,1,0,0,0,0|1,0,0]=2 1546 B8R1.8 COCc1ccns1 Amb33456878 [0,1,0,0,0,0|1,1,0]=3 1547 B8R1.8 COCc1ccsc1 Amb28051701 [0,1,0,0,0,0|2,0,0]=3 1548 B8R1.8 COCc1cnco1 Amb35652247 [0,1,0,0,0,0|1,0,0]=2 1549 B8R1.8 COCc1cscn1 Amb27404957 [0,1,0,0,0,0|2,0,0]=3 1550 B8R1.8 COCn1cccc1 Amb23401113 [0,1,0,0,0,0|2,0,0]=3 1551 B8R1.8 COCn1cccn1 Amb22546249 [0,1,0,0,0,0|2,0,0]=3 1552 B8R1.8 COCn1ccnc1 Amb10552509 [0,1,0,0,0,0|3,0,0]=4 1553 B8R1.8 CONc1nccs1 Amb27880087 [0,1,0,0,0,0|2,1,0]=4 1554 B8R1.8 CO[SiH2]c1ccco1 Amb27215529 [0,1,0,0,0,0|0,1,0]=2 1555 B8R1.8 CSCc1ccco1 Amb8393158 [0,1,0,0,0,0|0,1,0]=2 1556 B8R1.8 CSCc1ccno1 Amb28454927 [0,1,0,0,0,0|1,1,0]=3 1557 B8R1.8 CSCc1ccon1 Amb27591247 [0,1,0,0,0,0|2,1,0]=4 1558 B8R1.8 CSCc1ccsc1 Amb27267899 [0,1,0,0,0,0|2,1,0]=4 1559 B8R1.8 CSCc1cncs1 Amb27660777 [0,1,0,0,0,0|1,2,0]=4 1560 B8R1.8 CSCc1cscn1 Amb27396914 [0,1,0,0,0,0|2,1,0]=4 1561 B8R1.8 C\N=C\c1cccs1 Amb27849144 [0,1,0,0,0,0|1,1,1]=4 1562 B8R1.8 ClC#Cc1ccco1 Amb27200082 [0,1,0,0,0,0|1,0,1]=3 1563 B8R1.8 ClCCc1cccs1 Amb9004334 [0,1,0,0,0,0|1,1,0]=3 1564 B8R1.8 ClCCc1ccno1 Amb27970622 [0,1,0,0,0,0|2,0,0]=3 1565 B8R1.8 ClCCc1ccoc1 Amb28381646 [0,1,0,0,0,0|3,0,0]=4 1566 B8R1.8 ClCCc1ccsn1 Amb24565283 [0,1,0,0,0,0|3,0,0]=4 1567 B8R1.8 ClCCc1cncs1 Amb28246836 [0,1,0,0,0,0|2,1,0]=4 1568 B8R1.8 ClCCc1cscn1 Amb10608058 [0,1,0,0,0,0|3,0,0]=4 1569 B8R1.8 ClCCn1cccc1 Amb19944678 [0,1,0,0,0,0|3,0,0]=4 1570 B8R1.8 ClCCn1cccn1 Amb20622682 [0,1,0,0,0,0|3,0,0]=4 1571 B8R1.8 ClCCn1cccn1 Amb33527226 [0,1,0,0,0,0|3,0,0]=4 1572 B8R1.8 ClCSc1cccs1 Amb28347488 [0,1,0,0,0,0|1,1,0]=3 1573 B8R1.8 ClCSc1nccs1 Amb28247887 [0,1,0,0,0,0|2,1,0]=4 1574 B8R1.8 ClSCc1cccs1 Amb27959056 [0,1,0,0,0,0|0,2,0]=3 1575 B8R1.8 FC#Cc1cccs1 Amb27956120 [0,1,0,0,0,0|1,1,1]=4 1576 B8R1.8 FCCn1cccc1 Amb27758353 [0,1,0,0,0,0|3,0,0]=4 1577 B8R1.8 FCCn1cccn1 Amb23449774 [0,1,0,0,0,0|3,0,0]=4 1578 B8R1.8 ICCc1ccco1 Amb27224391 [0,1,0,0,0,0|1,0,0]=2 1579 B8R1.8 ICCn1cccc1 Amb9174999 [0,1,0,0,0,0|3,0,0]=4 1580 B8R1.8 ICCn1cccn1 Amb24735338 [0,1,0,0,0,0|3,0,0]=4 1581 B8R1.8 ICCn1cccn1 Amb33733840 [0,1,0,0,0,0|3,0,0]=4 1582 B8R1.8 I\C=C\c1ccco1 Amb24697510 [0,1,0,0,0,0|1,0,1]=3 1583 B8R1.8 N#CCc1ccco1 Amb9210908 [0,1,0,0,0,0|1,0,0]=2 1584 B8R1.8 N#CCc1cccs1 Amb2690600 [0,1,0,0,0,0|1,1,0]=3 1585 B8R1.8 N#CCc1ccno1 Amb1106087 [0,1,0,0,0,0|2,0,0]=3 1586 B8R1.8 N#CCc1ccns1 Amb35678896 [0,1,0,0,0,0|2,1,0]=4 1587 B8R1.8 N#CCc1ccoc1 Amb18640634 [0,1,0,0,0,0|3,0,0]=4 1588 B8R1.8 N#CCc1ccon1 Amb19373962 [0,1,0,0,0,0|3,0,0]=4 1589 B8R1.8 N#CCc1ccsc1 Amb1155425 [0,1,0,0,0,0|3,0,0]=4 1590 B8R1.8 N#CCc1ccsn1 Amb26629696 [0,1,0,0,0,0|3,0,0]=4 1591 B8R1.8 N#CCc1cnco1 Amb10071197 [0,1,0,0,0,0|2,0,0]=3 1592 B8R1.8 N#CCc1cncs1 Amb18917901 [0,1,0,0,0,0|2,1,0]=4 1593 B8R1.8 N#CCc1cscn1 Amb2793719 [0,1,0,0,0,0|3,0,0]=4 1594 B8R1.8 N#CCc1nccs1 Amb2796073 [0,1,0,0,0,0|2,1,0]=4 1595 B8R1.8 N#CCn1cccc1 Amb22292336 [0,1,0,0,0,0|3,0,0]=4 1596 B8R1.8 N#CCn1cccn1 Amb33532721 [0,1,0,0,0,0|3,0,0]=4 1597 B8R1.8 NCCC1=CC=CC1 Amb27975816 [0,1,0,0,0,0|2,0,0]=3 1598 B8R1.8 NCCC1C=CC=C1 Amb27596137 [0,1,0,0,0,0|2,0,1]=4 1599 B8R1.8 NCC[c-]1cccc1 Amb28341069 [0,1,0,0,0,0|2,0,1]=4 1600 B8R1.8 NCCc1ccco1 Amb1080943 [0,1,0,0,0,0|1,0,0]=2 1601 B8R1.8 NCCc1ccco1 Amb22587649 [0,1,0,0,0,0|1,0,0]=2 1602 B8R1.8 NCCc1cccs1 Amb1073690 [0,1,0,0,0,0|1,1,0]=3 1603 B8R1.8 NCCc1cccs1 Amb6858256 [0,1,0,0,0,0|1,1,0]=3 1604 B8R1.8 NCCc1ccno1 Amb32660914 [0,1,0,0,0,0|2,0,0]=3 1605 B8R1.8 NCCc1ccno1 Amb33804628 [0,1,0,0,0,0|2,0,0]=3 1606 B8R1.8 NCCc1ccno1 Amb8009428 [0,1,0,0,0,0|2,0,0]=3 1607 B8R1.8 NCCc1ccns1 Amb30585097 [0,1,0,0,0,0|2,1,0]=4 1608 B8R1.8 NCCc1ccns1 Amb32680466 [0,1,0,0,0,0|2,1,0]=4 1609 B8R1.8 NCCc1ccns1 Amb8011377 [0,1,0,0,0,0|2,1,0]=4 1610 B8R1.8 NCCc1ccoc1 Amb18833105 [0,1,0,0,0,0|3,0,0]=4 1611 B8R1.8 NCCc1ccoc1 Amb31146576 [0,1,0,0,0,0|3,0,0]=4 1612 B8R1.8 NCCc1ccon1 Amb29083232 [0,1,0,0,0,0|3,0,0]=4 1613 B8R1.8 NCCc1ccon1 Amb8009430 [0,1,0,0,0,0|3,0,0]=4 1614 B8R1.8 NCCc1ccsc1 Amb2236392 [0,1,0,0,0,0|3,0,0]=4 1615 B8R1.8 NCCc1ccsc1 Amb8631337 [0,1,0,0,0,0|3,0,0]=4 1616 B8R1.8 NCCc1ccsn1 Amb18832148 [0,1,0,0,0,0|3,0,0]=4 1617 B8R1.8 NCCc1cnco1 Amb8009427 [0,1,0,0,0,0|2,0,0]=3 1618 B8R1.8 NCCc1cncs1 Amb22491501 [0,1,0,0,0,0|2,1,0]=4 1619 B8R1.8 NCCc1cncs1 Amb8009911 [0,1,0,0,0,0|2,1,0]=4 1620 B8R1.8 NCCc1cocn1 Amb8009426 [0,1,0,0,0,0|3,0,0]=4 1621 B8R1.8 NCCc1cscn1 Amb17935894 [0,1,0,0,0,0|3,0,0]=4 1622 B8R1.8 NCCc1cscn1 Amb32409469 [0,1,0,0,0,0|3,0,0]=4 1623 B8R1.8 NCCc1cscn1 Amb5782907 [0,1,0,0,0,0|3,0,0]=4 1624 B8R1.8 NCCc1ncco1 Amb8009425 [0,1,0,0,0,0|2,0,0]=3 1625 B8R1.8 NCCc1nccs1 Amb10072657 [0,1,0,0,0,0|2,1,0]=4 1626 B8R1.8 NCCc1nccs1 Amb15741139 [0,1,0,0,0,0|2,1,0]=4 1627 B8R1.8 NCCc1nccs1 Amb5754073 [0,1,0,0,0,0|2,1,0]=4 1628 B8R1.8 NCCc1ncno1 Amb20622798 [0,1,0,0,0,0|3,0,0]=4 1629 B8R1.8 NCCc1ncno1 Amb8009431 [0,1,0,0,0,0|3,0,0]=4 1630 B8R1.8 NCCc1nnco1 Amb17079560 [0,1,0,0,0,0|3,0,0]=4 1631 B8R1.8 NCCn1cccc1 Amb2422800 [0,1,0,0,0,0|3,0,0]=4 1632 B8R1.8 NCCn1cccn1 Amb1099286 [0,1,0,0,0,0|3,0,0]=4 1633 B8R1.8 NCCn1cccn1 Amb21954209 [0,1,0,0,0,0|3,0,0]=4 1634 B8R1.8 NCCn1cccn1 Amb31291574 [0,1,0,0,0,0|3,0,0]=4 1635 B8R1.8 NCSc1ccco1 Amb27843491 [0,1,0,0,0,0|1,0,0]=2 1636 B8R1.8 NNCc1ccco1 Amb29848033 [0,1,0,0,0,0|1,0,0]=2 1637 B8R1.8 NNCc1ccco1 Amb6246463 [0,1,0,0,0,0|1,0,0]=2 1638 B8R1.8 NNCc1cccs1 Amb22587449 [0,1,0,0,0,0|1,1,0]=3 1639 B8R1.8 NNCc1cccs1 Amb29848034 [0,1,0,0,0,0|1,1,0]=3 1640 B8R1.8 NNCc1cccs1 Amb6242338 [0,1,0,0,0,0|1,1,0]=3 1641 B8R1.8 NNCc1ccoc1 Amb6245644 [0,1,0,0,0,0|3,0,0]=4 1642 B8R1.8 NNCc1ccon1 Amb24465273 [0,1,0,0,0,0|3,0,0]=4 1643 B8R1.8 NNCc1ccsc1 Amb33329439 [0,1,0,0,0,0|3,0,0]=4 1644 B8R1.8 NNCc1ccsc1 Amb33329450 [0,1,0,0,0,0|3,0,0]=4 1645 B8R1.8 NNCc1ccsc1 Amb6250886 [0,1,0,0,0,0|3,0,0]=4 1646 B8R1.8 NNCc1cnco1 Amb33415258 [0,1,0,0,0,0|2,0,0]=3 1647 B8R1.8 NNCc1cncs1 Amb19664525 [0,1,0,0,0,0|2,1,0]=4 1648 B8R1.8 NNCc1cscn1 Amb27596033 [0,1,0,0,0,0|3,0,0]=4 1649 B8R1.8 NNCc1nccs1 Amb28347466 [0,1,0,0,0,0|2,1,0]=4 1650 B8R1.8 NOCC1CC=CC1 Amb35634524 [0,1,0,0,0,0|1,0,2]=4 1651 B8R1.8 NOCc1ccco1 Amb25141783 [0,1,0,0,0,0|0,0,0]=1 1652 B8R1.8 NOCc1cccs1 Amb25189036 [0,1,0,0,0,0|0,1,0]=2 1653 B8R1.8 NOCc1ccns1 Amb35658747 [0,1,0,0,0,0|1,1,0]=3 1654 B8R1.8 NOCc1ccoc1 Amb24564546 [0,1,0,0,0,0|2,0,0]=3 1655 B8R1.8 NOCc1ccon1 Amb33200236 [0,1,0,0,0,0|2,0,0]=3 1656 B8R1.8 NOCc1ccsc1 Amb24746528 [0,1,0,0,0,0|2,0,0]=3 1657 B8R1.8 NOCc1cnco1 Amb33414840 [0,1,0,0,0,0|1,0,0]=2 1658 B8R1.8 NOCc1cncs1 Amb24454699 [0,1,0,0,0,0|1,1,0]=3 1659 B8R1.8 NOCc1cnns1 Amb28127724 [0,1,0,0,0,0|2,1,0]=4 1660 B8R1.8 NOCc1cnsn1 Amb27473733 [0,1,0,0,0,0|3,0,0]=4 1661 B8R1.8 NOCc1cscn1 Amb24086590 [0,1,0,0,0,0|2,0,0]=3 1662 B8R1.8 NOCc1csnn1 Amb26389909 [0,1,0,0,0,0|3,0,0]=4 1663 B8R1.8 NOCc1nccs1 Amb26959264 [0,1,0,0,0,0|1,1,0]=3 1664 B8R1.8 N\C=C\c1ccco1 Amb28367758 [0,1,0,0,0,0|1,0,1]=3 1665 B8R1.8 N\C=C\c1cnco1 Amb28133163 [0,1,0,0,0,0|2,0,1]=4 1666 B8R1.8 N\N=C\c1ccco1 Amb35789578 [0,1,0,0,0,0|1,0,1]=3 1667 B8R1.8 O=C=Cc1cccs1 Amb27632892 [0,1,0,0,0,0|0,1,2]=4 1668 B8R1.8 O=C=Nc1ccco1 Amb6272977 [0,1,0,0,0,0|0,0,2]=3 1669 B8R1.8 O=C=Nc1cccs1 Amb2723194 [0,1,0,0,0,0|0,1,2]=4 1670 B8R1.8 O=C=Nc1ccno1 Amb18061875 [0,1,0,0,0,0|1,0,2]=4 1671 B8R1.8 O=CCc1ccco1 Amb17089526 [0,1,0,0,0,0|0,0,1]=2 1672 B8R1.8 O=CCc1cccs1 Amb17089527 [0,1,0,0,0,0|0,1,1]=3 1673 B8R1.8 O=CCc1ccno1 Amb28060201 [0,1,0,0,0,0|1,0,1]=3 1674 B8R1.8 O=CCc1ccoc1 Amb18641576 [0,1,0,0,0,0|2,0,1]=4 1675 B8R1.8 O=CCc1ccon1 Amb26390824 [0,1,0,0,0,0|2,0,1]=4 1676 B8R1.8 O=CCc1ccsc1 Amb26603755 [0,1,0,0,0,0|2,0,1]=4 1677 B8R1.8 O=CCc1ccsn1 Amb27190366 [0,1,0,0,0,0|2,0,1]=4 1678 B8R1.8 O=CCc1cnco1 Amb24653904 [0,1,0,0,0,0|1,0,1]=3 1679 B8R1.8 O=CCc1cncs1 Amb28316235 [0,1,0,0,0,0|1,1,1]=4 1680 B8R1.8 O=CCc1cscn1 Amb24469342 [0,1,0,0,0,0|2,0,1]=4 1681 B8R1.8 O=CCc1ncco1 Amb26946687 [0,1,0,0,0,0|1,0,1]=3 1682 B8R1.8 O=CCc1nccs1 Amb26856976 [0,1,0,0,0,0|1,1,1]=4 1683 B8R1.8 O=CCn1cccc1 Amb18203408 [0,1,0,0,0,0|2,0,1]=4 1684 B8R1.8 O=CCn1cccn1 Amb32411521 [0,1,0,0,0,0|2,0,1]=4 1685 B8R1.8 O=CNc1ccco1 Amb28135036 [0,1,0,0,0,0|0,0,2]=3 1686 B8R1.8 O=CNc1cccs1 Amb28282647 [0,1,0,0,0,0|0,1,2]=4 1687 B8R1.8 O=COc1ccco1 Amb27591421 [0,1,0,0,0,0|0,0,2]=3 1688 B8R1.8 O=COc1cccs1 Amb27798954 [0,1,0,0,0,0|0,1,2]=4 1689 B8R1.8 OCC=C1C=CC=C1 Amb27662404 [0,1,0,0,0,0|1,0,0]=2 1690 B8R1.8 OCCC1C=CCN1 Amb32950238 [0,1,0,0,0,0|1,0,2]=4 1691 B8R1.8 OCCC1CC=CC1 Amb24482557 [0,1,0,0,0,0|1,0,2]=4 1692 B8R1.8 OCC[C@@H]1C=CCO1 Amb27206175 [0,1,0,0,0,0|0,0,2]=3 1693 B8R1.8 OCC[n+]1ccsc1 Amb24518966 [0,1,0,0,0,0|3,0,0]=4 1694 B8R1.8 OCCc1ccco1 Amb17089516 [0,1,0,0,0,0|0,0,0]=1 1695 B8R1.8 OCCc1cccs1 Amb2099445 [0,1,0,0,0,0|0,1,0]=2 1696 B8R1.8 OCCc1ccno1 Amb27164449 [0,1,0,0,0,0|1,0,0]=2 1697 B8R1.8 OCCc1ccns1 Amb23441022 [0,1,0,0,0,0|1,1,0]=3 1698 B8R1.8 OCCc1ccoc1 Amb25802261 [0,1,0,0,0,0|2,0,0]=3 1699 B8R1.8 OCCc1ccon1 Amb33198329 [0,1,0,0,0,0|2,0,0]=3 1700 B8R1.8 OCCc1ccsc1 Amb3939119 [0,1,0,0,0,0|2,0,0]=3 1701 B8R1.8 OCCc1ccsn1 Amb28453528 [0,1,0,0,0,0|2,0,0]=3 1702 B8R1.8 OCCc1cnco1 Amb33474917 [0,1,0,0,0,0|1,0,0]=2 1703 B8R1.8 OCCc1cncs1 Amb33544209 [0,1,0,0,0,0|1,1,0]=3 1704 B8R1.8 OCCc1cnoc1 Amb1971497 [0,1,0,0,0,0|3,0,0]=4 1705 B8R1.8 OCCc1cnsc1 Amb32945188 [0,1,0,0,0,0|3,0,0]=4 1706 B8R1.8 OCCc1cocn1 Amb17399797 [0,1,0,0,0,0|2,0,0]=3 1707 B8R1.8 OCCc1cscn1 Amb33548480 [0,1,0,0,0,0|2,0,0]=3 1708 B8R1.8 OCCc1csnn1 Amb26641240 [0,1,0,0,0,0|3,0,0]=4 1709 B8R1.8 OCCc1ncco1 Amb27495611 [0,1,0,0,0,0|1,0,0]=2 1710 B8R1.8 OCCc1nccs1 Amb33547163 [0,1,0,0,0,0|1,1,0]=3 1711 B8R1.8 OCCc1ncon1 Amb28125753 [0,1,0,0,0,0|3,0,0]=4 1712 B8R1.8 OCCc1nnco1 Amb22500316 [0,1,0,0,0,0|2,0,0]=3 1713 B8R1.8 OCCc1nncs1 Amb33213126 [0,1,0,0,0,0|2,1,0]=4 1714 B8R1.8 OCCn1cccc1 Amb9174997 [0,1,0,0,0,0|2,0,0]=3 1715 B8R1.8 OCCn1cccn1 Amb6382238 [0,1,0,0,0,0|2,0,0]=3 1716 B8R1.8 OCCn1ccnc1 Amb2688741 [0,1,0,0,0,0|3,0,0]=4 1717 B8R1.8 OCCn1ccnn1 Amb6307296 [0,1,0,0,0,0|3,0,0]=4 1718 B8R1.8 OCCn1cncn1 Amb33531609 [0,1,0,0,0,0|3,0,0]=4 1719 B8R1.8 OCCn1nccn1 Amb8385275 [0,1,0,0,0,0|3,0,0]=4 1720 B8R1.8 OCNc1ncns1 Amb22497924 [0,1,0,0,0,0|2,1,0]=4 1721 B8R1.8 ONCC1=CCSC1 Amb35743802 [0,1,0,0,0,0|2,0,1]=4 1722 B8R1.8 ONCc1ccco1 Amb23449450 [0,1,0,0,0,0|0,0,0]=1 1723 B8R1.8 ONCc1cccs1 Amb23449451 [0,1,0,0,0,0|0,1,0]=2 1724 B8R1.8 ONCc1ccns1 Amb35649961 [0,1,0,0,0,0|1,1,0]=3 1725 B8R1.8 ONCc1ccoc1 Amb28059138 [0,1,0,0,0,0|2,0,0]=3 1726 B8R1.8 ONCc1ccon1 Amb33199069 [0,1,0,0,0,0|2,0,0]=3 1727 B8R1.8 ONCc1ccsc1 Amb25994264 [0,1,0,0,0,0|2,0,0]=3 1728 B8R1.8 ONCc1cnco1 Amb27247434 [0,1,0,0,0,0|1,0,0]=2 1729 B8R1.8 ONCc1cncs1 Amb26991202 [0,1,0,0,0,0|1,1,0]=3 1730 B8R1.8 ONCc1cscn1 Amb27162852 [0,1,0,0,0,0|2,0,0]=3 1731 B8R1.8 ONCc1csnn1 Amb25071099 [0,1,0,0,0,0|3,0,0]=4 1732 B8R1.8 ONCc1nccs1 Amb26025896 [0,1,0,0,0,0|1,1,0]=3 1733 B8R1.8 O\N=C/c1cccs1 Amb27801792 [0,1,0,0,0,0|0,1,1]=3 1734 B8R1.8 O\N=C\c1ccco1 Amb6374169 [0,1,0,0,0,0|0,0,1]=2 1735 B8R1.8 O\N=C\c1cccs1 Amb6384738 [0,1,0,0,0,0|0,1,1]=3 1736 B8R1.8 O\N=C\c1ccns1 Amb25889294 [0,1,0,0,0,0|1,1,1]=4 1737 B8R1.8 O\N=C\c1ccoc1 Amb6397712 [0,1,0,0,0,0|2,0,1]=4 1738 B8R1.8 O\N=C\c1ccsc1 Amb2781192 [0,1,0,0,0,0|2,0,1]=4 1739 B8R1.8 O\N=C\c1nccs1 Amb22736216 [0,1,0,0,0,0|1,1,1]=4 1740 B8R1.8 S=C=Nc1cccs1 Amb28049014 [0,1,0,0,0,0|0,2,1]=4 1741 B8R1.8 SCCc1ccco1 Amb24511324 [0,1,0,0,0,0|0,1,0]=2 1742 B8R1.8 SCCc1cccs1 Amb17399886 [0,1,0,0,0,0|0,2,0]=3 1743 B8R1.8 SCCc1ccoc1 Amb33360331 [0,1,0,0,0,0|2,1,0]=4 1744 B8R1.8 SCCc1ccon1 Amb33199330 [0,1,0,0,0,0|2,1,0]=4 1745 B8R1.8 SCCc1ccsc1 Amb25300451 [0,1,0,0,0,0|2,1,0]=4 1746 B8R1.8 SCCc1cnco1 Amb33319556 [0,1,0,0,0,0|1,1,0]=3 1747 B8R1.8 SCCc1cncs1 Amb33268035 [0,1,0,0,0,0|1,2,0]=4 1748 B8R1.8 SCCc1cscn1 Amb25356281 [0,1,0,0,0,0|2,1,0]=4 1749 B8R1.8 SCCc1nccs1 Amb20621112 [0,1,0,0,0,0|1,2,0]=4 1750 B8R1.8 SCCn1cccn1 Amb20624016 [0,1,0,0,0,0|2,1,0]=4 1751 B8R1.8 SCOc1ccco1 Amb28130026 [0,1,0,0,0,0|0,1,0]=2 1752 B8R1.8 [C-]#[N+]Cc1ccco1 Amb1981056 [0,1,0,0,0,0|1,0,0]=2 1753 B8R1.8 [C-]#[N+]Cc1cccs1 Amb3973219 [0,1,0,0,0,0|1,1,0]=3 1754 B8R1.8 [C-]#[N+]Cc1ccoc1 Amb33361234 [0,1,0,0,0,0|3,0,0]=4 1755 B8R1.8 [C-]#[N+]Cc1ccsc1 Amb3973222 [0,1,0,0,0,0|3,0,0]=4 1756 B8R1.8 [C-]#[N+]Cc1cnco1 Amb33414856 [0,1,0,0,0,0|2,0,0]=3 1757 B8R1.8 [C-]#[N+]Cc1cncs1 Amb33270088 [0,1,0,0,0,0|2,1,0]=4 1758 B8R1.8 [N-]=[N+]=Cc1ccco1 Amb27971199 [0,1,0,0,0,0|1,0,1]=3 1759 B8R1.11 BrCc1ccsc1Br Amb4477445 [0,1,0,0,0,0|3,0,0]=4 1760 B8R1.11 BrCc1cocc1Br Amb27639030 [0,1,0,0,0,0|3,0,0]=4 1761 B8R1.11 BrCc1cscc1Br Amb6572118 [0,1,0,0,0,0|3,0,0]=4 1762 B8R1.11 BrCc1ncsc1Br Amb27770564 [0,1,0,0,0,0|3,0,0]=4 1763 B8R1.11 BrCc1nscc1Br Amb30015662 [0,1,0,0,0,0|3,0,0]=4 1764 B8R1.11 BrCc1sccc1Br Amb25793641 [0,1,0,0,0,0|1,1,0]=3 1765 B8R1.11 BrCc1scnc1Br Amb28316124 [0,1,0,0,0,0|2,1,0]=4 1766 B8R1.11 BrCc1sncc1Br Amb32664948 [0,1,0,0,0,0|2,1,0]=4 1767 B8R1.11 Br[Zn]c1sccc1Br Amb6300257 [0,1,0,0,0,0|2,1,0]=4 1768 B8R1.11 Brc1ccsc1CI Amb28064272 [0,1,0,0,0,0|1,1,0]=3 1769 B8R1.11 C#Cc1cccn1C Amb27167273 [0,1,0,0,0,0|2,0,1]=4 1770 B8R1.11 C#Cc1occc1Br Amb28456843 [0,1,0,0,0,0|1,0,1]=3 1771 B8R1.11 C#Cc1occc1C Amb26015975 [0,1,0,0,0,0|1,0,1]=3 1772 B8R1.11 C#Cc1ocnc1C Amb33169117 [0,1,0,0,0,0|2,0,1]=4 1773 B8R1.11 C#Cc1sccc1Br Amb25063906 [0,1,0,0,0,0|1,1,1]=4 1774 B8R1.11 C#Cc1sccc1C Amb22489883 [0,1,0,0,0,0|1,1,1]=4 1775 B8R1.11 C#Cc1sccc1Cl Amb24360339 [0,1,0,0,0,0|1,1,1]=4 1776 B8R1.11 C=Cc1cccn1C Amb26856954 [0,1,0,0,0,0|2,0,1]=4 1777 B8R1.11 C=Cc1occc1C Amb28049005 [0,1,0,0,0,0|1,0,1]=3 1778 B8R1.11 C=Cc1sccc1Br Amb26342630 [0,1,0,0,0,0|1,1,1]=4 1779 B8R1.11 C=Cc1sccc1C Amb24532317 [0,1,0,0,0,0|1,1,1]=4 1780 B8R1.11 C=Cc1sccc1Cl Amb28244906 [0,1,0,0,0,0|1,1,1]=4 1781 B8R1.11 CC1=C(CO)CCO1 Amb8392376 [0,1,0,0,0,0|2,0,1]=4 1782 B8R1.11 CCC1=C(S)CCO1 Amb28253028 [0,1,0,0,0,0|1,0,2]=4 1783 B8R1.11 CCC1=CC=CC1C Amb28247297 [0,1,0,0,0,0|2,0,0]=3 1784 B8R1.11 CCC1OC=CC1=O Amb27828824 [0,1,0,0,0,0|1,0,1]=3 1785 B8R1.11 CCN1CC=CC1=N Amb27629759 [0,1,0,0,0,0|3,0,0]=4 1786 B8R1.11 CCc1cccn1N Amb20621247 [0,1,0,0,0,0|2,0,0]=3 1787 B8R1.11 CCc1ccnn1C Amb6891586 [0,1,0,0,0,0|3,0,0]=4 1788 B8R1.11 CCc1ccoc1Br Amb13884533 [0,1,0,0,0,0|3,0,0]=4 1789 B8R1.11 CCc1ccsc1Br Amb13884511 [0,1,0,0,0,0|3,0,0]=4 1790 B8R1.11 CCc1ccsc1C Amb25313892 [0,1,0,0,0,0|3,0,0]=4 1791 B8R1.11 CCc1ccsc1Cl Amb27185548 [0,1,0,0,0,0|3,0,0]=4 1792 B8R1.11 CCc1ccsc1I Amb26079787 [0,1,0,0,0,0|3,0,0]=4 1793 B8R1.11 CCc1ccsc1N Amb28049025 [0,1,0,0,0,0|3,0,0]=4 1794 B8R1.11 CCc1ccsc1O Amb26547659 [0,1,0,0,0,0|3,0,0]=4 1795 B8R1.11 CCc1ccsc1S Amb32728959 [0,1,0,0,0,0|3,0,0]=4 1796 B8R1.11 CCc1cncn1C Amb27848623 [0,1,0,0,0,0|3,0,0]=4 1797 B8R1.11 CCc1cscc1Br Amb25343120 [0,1,0,0,0,0|3,0,0]=4 1798 B8R1.11 CCc1cscc1F Amb27847096 [0,1,0,0,0,0|3,0,0]=4 1799 B8R1.11 CCc1nccn1N Amb25053354 [0,1,0,0,0,0|3,0,0]=4 1800 B8R1.11 CCc1ncsc1Br Amb20617306 [0,1,0,0,0,0|3,0,0]=4 1801 B8R1.11 CCc1ncsc1C Amb24117157 [0,1,0,0,0,0|3,0,0]=4 1802 B8R1.11 CCc1ncsc1N Amb18946568 [0,1,0,0,0,0|3,0,0]=4 1803 B8R1.11 CCc1nocc1N Amb33483545 [0,1,0,0,0,0|3,0,0]=4 1804 B8R1.11 CCc1occc1O Amb27444323 [0,1,0,0,0,0|1,0,0]=2 1805 B8R1.11 CCc1ocnc1C Amb28186783 [0,1,0,0,0,0|2,0,0]=3 1806 B8R1.11 CCc1oncc1N Amb18203377 [0,1,0,0,0,0|2,0,0]=3 1807 B8R1.11 CCc1oncc1N Amb32652129 [0,1,0,0,0,0|2,0,0]=3 1808 B8R1.11 CCc1sccc1F Amb27631779 [0,1,0,0,0,0|1,1,0]=3 1809 B8R1.11 CCc1sccc1S Amb27193410 [0,1,0,0,0,0|1,1,0]=3 1810 B8R1.11 CCc1scnc1Br Amb20617256 [0,1,0,0,0,0|2,1,0]=4 1811 B8R1.11 CCc1scnc1C Amb19515914 [0,1,0,0,0,0|2,1,0]=4 1812 B8R1.11 CCc1scnc1N Amb24317504 [0,1,0,0,0,0|2,1,0]=4 1813 B8R1.11 CCc1sncc1N Amb27631722 [0,1,0,0,0,0|2,1,0]=4 1814 B8R1.11 CCn1cccc1N Amb25745952 [0,1,0,0,0,0|3,0,0]=4 1815 B8R1.11 CCn1nccc1Br Amb33544247 [0,1,0,0,0,0|3,0,0]=4 1816 B8R1.11 CCn1nccc1C Amb6888496 [0,1,0,0,0,0|3,0,0]=4 1817 B8R1.11 CCn1nccc1Cl Amb23539596 [0,1,0,0,0,0|3,0,0]=4 1818 B8R1.11 CCn1nccc1F Amb22008909 [0,1,0,0,0,0|3,0,0]=4 1819 B8R1.11 CCn1nccc1I Amb22008931 [0,1,0,0,0,0|3,0,0]=4 1820 B8R1.11 CCn1nccc1N Amb1107883 [0,1,0,0,0,0|3,0,0]=4 1821 B8R1.11 CCn1nccc1O Amb25724305 [0,1,0,0,0,0|3,0,0]=4 1822 B8R1.11 CCn1nccc1O Amb33744109 [0,1,0,0,0,0|3,0,0]=4 1823 B8R1.11 CCn1nccc1S Amb33319694 [0,1,0,0,0,0|3,0,0]=4 1824 B8R1.11 CNc1cccn1C Amb25718849 [0,1,0,0,0,0|3,0,0]=4 1825 B8R1.11 COc1occc1C Amb27625304 [0,1,0,0,0,0|2,0,0]=3 1826 B8R1.11 COc1oncc1Br Amb26905882 [0,1,0,0,0,0|3,0,0]=4 1827 B8R1.11 COc1oncc1Cl Amb27665809 [0,1,0,0,0,0|3,0,0]=4 1828 B8R1.11 COc1sccc1Br Amb24082781 [0,1,0,0,0,0|2,1,0]=4 1829 B8R1.11 COc1sccc1C Amb25064766 [0,1,0,0,0,0|2,1,0]=4 1830 B8R1.11 COc1sccc1N Amb19895576 [0,1,0,0,0,0|2,1,0]=4 1831 B8R1.11 CSc1occc1Br Amb27796654 [0,1,0,0,0,0|2,0,0]=3 1832 B8R1.11 CSc1sccc1Br Amb26864440 [0,1,0,0,0,0|2,1,0]=4 1833 B8R1.11 Cc1ccoc1C#N Amb25352891 [0,1,0,0,0,0|1,0,1]=3 1834 B8R1.11 Cc1ccoc1C=O Amb6572128 [0,1,0,0,0,0|0,0,2]=3 1835 B8R1.11 Cc1ccoc1CBr Amb18183895 [0,1,0,0,0,0|1,0,0]=2 1836 B8R1.11 Cc1ccoc1CCl Amb8860567 [0,1,0,0,0,0|1,0,0]=2 1837 B8R1.11 Cc1ccoc1CN Amb6572131 [0,1,0,0,0,0|1,0,0]=2 1838 B8R1.11 Cc1ccoc1CO Amb6572130 [0,1,0,0,0,0|0,0,0]=1 1839 B8R1.11 Cc1ccoc1CS Amb25969059 [0,1,0,0,0,0|0,1,0]=2 1840 B8R1.11 Cc1ccsc1C#N Amb33528580 [0,1,0,0,0,0|1,1,1]=4 1841 B8R1.11 Cc1ccsc1C=O Amb534988 [0,1,0,0,0,0|0,1,2]=4 1842 B8R1.11 Cc1ccsc1CBr Amb18325320 [0,1,0,0,0,0|1,1,0]=3 1843 B8R1.11 Cc1ccsc1CCl Amb33528081 [0,1,0,0,0,0|1,1,0]=3 1844 B8R1.11 Cc1ccsc1CN Amb1128389 [0,1,0,0,0,0|1,1,0]=3 1845 B8R1.11 Cc1ccsc1CN Amb6892658 [0,1,0,0,0,0|1,1,0]=3 1846 B8R1.11 Cc1ccsc1CO Amb837436 [0,1,0,0,0,0|0,1,0]=2 1847 B8R1.11 Cc1ccsc1CS Amb24526885 [0,1,0,0,0,0|0,2,0]=3 1848 B8R1.11 Cc1ccsc1[Zn]Br Amb22000458 [0,1,0,0,0,0|2,1,0]=4 1849 B8R1.11 Cc1cncn1CO Amb27395866 [0,1,0,0,0,0|3,0,0]=4 1850 B8R1.11 Cc1cnoc1C#N Amb33620875 [0,1,0,0,0,0|2,0,1]=4 1851 B8R1.11 Cc1cnoc1C=O Amb8010953 [0,1,0,0,0,0|1,0,2]=4 1852 B8R1.11 Cc1cnoc1CBr Amb25675743 [0,1,0,0,0,0|2,0,0]=3 1853 B8R1.11 Cc1cnoc1CCl Amb30633455 [0,1,0,0,0,0|2,0,0]=3 1854 B8R1.11 Cc1cnoc1CO Amb24467683 [0,1,0,0,0,0|1,0,0]=2 1855 B8R1.11 Cc1cocc1CBr Amb27626287 [0,1,0,0,0,0|3,0,0]=4 1856 B8R1.11 Cc1conc1CBr Amb32645953 [0,1,0,0,0,0|3,0,0]=4 1857 B8R1.11 Cc1conc1CCl Amb32671275 [0,1,0,0,0,0|3,0,0]=4 1858 B8R1.11 Cc1conc1CN Amb32671219 [0,1,0,0,0,0|3,0,0]=4 1859 B8R1.11 Cc1conc1CO Amb24593199 [0,1,0,0,0,0|2,0,0]=3 1860 B8R1.11 Cc1cscc1CBr Amb26370548 [0,1,0,0,0,0|3,0,0]=4 1861 B8R1.11 Cc1cscc1CCl Amb20528471 [0,1,0,0,0,0|3,0,0]=4 1862 B8R1.11 Cc1cscc1CN Amb26437471 [0,1,0,0,0,0|3,0,0]=4 1863 B8R1.11 Cc1cscc1CO Amb24483178 [0,1,0,0,0,0|2,0,0]=3 1864 B8R1.11 Cc1cscc1CS Amb20528443 [0,1,0,0,0,0|2,1,0]=4 1865 B8R1.11 Cc1ncoc1C#N Amb17843583 [0,1,0,0,0,0|2,0,1]=4 1866 B8R1.11 Cc1ncoc1C=O Amb8010969 [0,1,0,0,0,0|1,0,2]=4 1867 B8R1.11 Cc1ncoc1CBr Amb22268316 [0,1,0,0,0,0|2,0,0]=3 1868 B8R1.11 Cc1ncoc1CCl Amb17399824 [0,1,0,0,0,0|2,0,0]=3 1869 B8R1.11 Cc1ncoc1CN Amb17399791 [0,1,0,0,0,0|2,0,0]=3 1870 B8R1.11 Cc1ncoc1CN Amb30585114 [0,1,0,0,0,0|2,0,0]=3 1871 B8R1.11 Cc1ncoc1CO Amb5282883 [0,1,0,0,0,0|1,0,0]=2 1872 B8R1.11 Cc1ncoc1CS Amb22268324 [0,1,0,0,0,0|1,1,0]=3 1873 B8R1.11 Cc1ncsc1CBr Amb19073775 [0,1,0,0,0,0|2,1,0]=4 1874 B8R1.11 Cc1ncsc1CBr Amb22587583 [0,1,0,0,0,0|2,1,0]=4 1875 B8R1.11 Cc1ncsc1CCl Amb22586997 [0,1,0,0,0,0|2,1,0]=4 1876 B8R1.11 Cc1ncsc1CCl Amb9004346 [0,1,0,0,0,0|2,1,0]=4 1877 B8R1.11 Cc1ncsc1CN Amb6255641 [0,1,0,0,0,0|2,1,0]=4 1878 B8R1.11 Cc1ncsc1CO Amb8392849 [0,1,0,0,0,0|1,1,0]=3 1879 B8R1.11 Cc1ncsc1CS Amb18837003 [0,1,0,0,0,0|1,2,0]=4 1880 B8R1.11 Cc1nnsc1CO Amb6297733 [0,1,0,0,0,0|2,1,0]=4 1881 B8R1.11 Cc1nocc1CO Amb24062155 [0,1,0,0,0,0|3,0,0]=4 1882 B8R1.11 Cc1nonc1CO Amb534150 [0,1,0,0,0,0|3,0,0]=4 1883 B8R1.11 Cc1nscc1CO Amb23441231 [0,1,0,0,0,0|3,0,0]=4 1884 B8R1.11 Cc1occc1CBr Amb18183894 [0,1,0,0,0,0|3,0,0]=4 1885 B8R1.11 Cc1occc1CN Amb2724036 [0,1,0,0,0,0|3,0,0]=4 1886 B8R1.11 Cc1occc1CN Amb33545796 [0,1,0,0,0,0|3,0,0]=4 1887 B8R1.11 Cc1occc1CO Amb33545810 [0,1,0,0,0,0|2,0,0]=3 1888 B8R1.11 Cc1occc1CS Amb24538700 [0,1,0,0,0,0|2,1,0]=4 1889 B8R1.11 Cc1ocnc1CBr Amb28398019 [0,1,0,0,0,0|3,0,0]=4 1890 B8R1.11 Cc1ocnc1CCl Amb22157185 [0,1,0,0,0,0|3,0,0]=4 1891 B8R1.11 Cc1ocnc1CN Amb18833092 [0,1,0,0,0,0|3,0,0]=4 1892 B8R1.11 Cc1ocnc1CO Amb15701316 [0,1,0,0,0,0|2,0,0]=3 1893 B8R1.11 Cc1oncc1CO Amb22754687 [0,1,0,0,0,0|3,0,0]=4 1894 B8R1.11 Cc1onnc1CO Amb27209793 [0,1,0,0,0,0|3,0,0]=4 1895 B8R1.11 Cc1sccc1CN Amb18203029 [0,1,0,0,0,0|3,0,0]=4 1896 B8R1.11 Cc1sccc1CN Amb31156120 [0,1,0,0,0,0|3,0,0]=4 1897 B8R1.11 Cc1sccc1CO Amb28048918 [0,1,0,0,0,0|2,0,0]=3 1898 B8R1.11 Cc1sccc1CS Amb32788874 [0,1,0,0,0,0|2,1,0]=4 1899 B8R1.11 Cc1scnc1CBr Amb22500463 [0,1,0,0,0,0|3,0,0]=4 1900 B8R1.11 Cc1scnc1CCl Amb19516837 [0,1,0,0,0,0|3,0,0]=4 1901 B8R1.11 Cc1scnc1CCl Amb21961684 [0,1,0,0,0,0|3,0,0]=4 1902 B8R1.11 Cc1scnc1CN Amb18202948 [0,1,0,0,0,0|3,0,0]=4 1903 B8R1.11 Cc1scnc1CO Amb22587438 [0,1,0,0,0,0|2,0,0]=3 1904 B8R1.11 Cc1scnc1CO Amb8388250 [0,1,0,0,0,0|2,0,0]=3 1905 B8R1.11 Cc1snnc1CO Amb22886784 [0,1,0,0,0,0|3,0,0]=4 1906 B8R1.11 ClCc1ccsc1Cl Amb8396575 [0,1,0,0,0,0|3,0,0]=4 1907 B8R1.11 ClCc1cscc1Br Amb26032210 [0,1,0,0,0,0|3,0,0]=4 1908 B8R1.11 ClCc1cscc1I Amb28247191 [0,1,0,0,0,0|3,0,0]=4 1909 B8R1.11 ClCc1ncsc1Br Amb25175746 [0,1,0,0,0,0|3,0,0]=4 1910 B8R1.11 ClCc1ncsc1Cl Amb25341911 [0,1,0,0,0,0|3,0,0]=4 1911 B8R1.11 ClCc1ncsc1I Amb27663469 [0,1,0,0,0,0|3,0,0]=4 1912 B8R1.11 ClCc1sccc1Br Amb10610432 [0,1,0,0,0,0|1,1,0]=3 1913 B8R1.11 ClCc1sccc1Cl Amb24620455 [0,1,0,0,0,0|1,1,0]=3 1914 B8R1.11 ClCc1scnc1Br Amb24532816 [0,1,0,0,0,0|2,1,0]=4 1915 B8R1.11 ClCc1scnc1Cl Amb27982887 [0,1,0,0,0,0|2,1,0]=4 1916 B8R1.11 Cl\C=C1\C=CC=C1Cl Amb25798374 [0,1,0,0,0,0|2,0,1]=4 1917 B8R1.11 Clc1ccsc1CBr Amb27848769 [0,1,0,0,0,0|1,1,0]=3 1918 B8R1.11 Clc1ncsc1CBr Amb24449980 [0,1,0,0,0,0|2,1,0]=4 1919 B8R1.11 Clc1ncsc1CBr Amb32675146 [0,1,0,0,0,0|2,1,0]=4 1920 B8R1.11 Clc1sccc1CBr Amb8629632 [0,1,0,0,0,0|3,0,0]=4 1921 B8R1.11 Clc1sccc1CI Amb35612749 [0,1,0,0,0,0|3,0,0]=4 1922 B8R1.11 Cn1cccc1C#N Amb342676 [0,1,0,0,0,0|2,0,1]=4 1923 B8R1.11 Cn1cccc1C=N Amb27638729 [0,1,0,0,0,0|2,0,1]=4 1924 B8R1.11 Cn1cccc1C=O Amb2723053 [0,1,0,0,0,0|1,0,2]=4 1925 B8R1.11 Cn1cccc1CBr Amb22301108 [0,1,0,0,0,0|2,0,0]=3 1926 B8R1.11 Cn1cccc1CCl Amb22301109 [0,1,0,0,0,0|2,0,0]=3 1927 B8R1.11 Cn1cccc1CI Amb22301110 [0,1,0,0,0,0|2,0,0]=3 1928 B8R1.11 Cn1cccc1CN Amb2723054 [0,1,0,0,0,0|2,0,0]=3 1929 B8R1.11 Cn1cccc1CO Amb837316 [0,1,0,0,0,0|1,0,0]=2 1930 B8R1.11 Cn1cccc1CS Amb22301111 [0,1,0,0,0,0|1,1,0]=3 1931 B8R1.11 Cn1cccc1C[O-] Amb22411415 [0,1,0,0,0,0|1,0,1]=3 1932 B8R1.11 Cn1cccc1C[O-] Amb32411913 [0,1,0,0,0,0|1,0,1]=3 1933 B8R1.11 Cn1ccnc1CBr Amb22301112 [0,1,0,0,0,0|3,0,0]=4 1934 B8R1.11 Cn1ccnc1CBr Amb23385230 [0,1,0,0,0,0|3,0,0]=4 1935 B8R1.11 Cn1ccnc1CCl Amb1092563 [0,1,0,0,0,0|3,0,0]=4 1936 B8R1.11 Cn1ccnc1CCl Amb1154142 [0,1,0,0,0,0|3,0,0]=4 1937 B8R1.11 Cn1ccnc1CF Amb22757473 [0,1,0,0,0,0|3,0,0]=4 1938 B8R1.11 Cn1ccnc1CI Amb22301113 [0,1,0,0,0,0|3,0,0]=4 1939 B8R1.11 Cn1ccnc1CN Amb1099139 [0,1,0,0,0,0|3,0,0]=4 1940 B8R1.11 Cn1ccnc1CN Amb2154784 [0,1,0,0,0,0|3,0,0]=4 1941 B8R1.11 Cn1ccnc1CN Amb21864560 [0,1,0,0,0,0|3,0,0]=4 1942 B8R1.11 Cn1ccnc1CO Amb1679789 [0,1,0,0,0,0|2,0,0]=3 1943 B8R1.11 Cn1ccnc1CO Amb20668539 [0,1,0,0,0,0|2,0,0]=3 1944 B8R1.11 Cn1ccnc1CS Amb22301114 [0,1,0,0,0,0|2,1,0]=4 1945 B8R1.11 Cn1cncc1CBr Amb23412323 [0,1,0,0,0,0|3,0,0]=4 1946 B8R1.11 Cn1cncc1CCl Amb10607768 [0,1,0,0,0,0|3,0,0]=4 1947 B8R1.11 Cn1cncc1CCl Amb20623570 [0,1,0,0,0,0|3,0,0]=4 1948 B8R1.11 Cn1cncc1CN Amb2723359 [0,1,0,0,0,0|3,0,0]=4 1949 B8R1.11 Cn1cncc1CN Amb33542702 [0,1,0,0,0,0|3,0,0]=4 1950 B8R1.11 Cn1cncc1CO Amb2723358 [0,1,0,0,0,0|2,0,0]=3 1951 B8R1.11 Cn1cncc1CS Amb25294856 [0,1,0,0,0,0|2,1,0]=4 1952 B8R1.11 Cn1cnnc1CO Amb19516680 [0,1,0,0,0,0|3,0,0]=4 1953 B8R1.11 Cn1nccc1CBr Amb18790494 [0,1,0,0,0,0|3,0,0]=4 1954 B8R1.11 Cn1nccc1CBr Amb24269193 [0,1,0,0,0,0|3,0,0]=4 1955 B8R1.11 Cn1nccc1CCl Amb33547571 [0,1,0,0,0,0|3,0,0]=4 1956 B8R1.11 Cn1nccc1CCl Amb6890380 [0,1,0,0,0,0|3,0,0]=4 1957 B8R1.11 Cn1nccc1CN Amb1945791 [0,1,0,0,0,0|3,0,0]=4 1958 B8R1.11 Cn1nccc1CN Amb21953680 [0,1,0,0,0,0|3,0,0]=4 1959 B8R1.11 Cn1nccc1CN Amb2693488 [0,1,0,0,0,0|3,0,0]=4 1960 B8R1.11 Cn1nccc1CO Amb6572285 [0,1,0,0,0,0|2,0,0]=3 1961 B8R1.11 Cn1nccc1CS Amb27197783 [0,1,0,0,0,0|2,1,0]=4 1962 B8R1.11 Cn1ncnc1CO Amb10603121 [0,1,0,0,0,0|3,0,0]=4 1963 B8R1.11 Cn1ncnc1CO Amb30585096 [0,1,0,0,0,0|3,0,0]=4 1964 B8R1.11 Cn1ncnc1CO Amb32653381 [0,1,0,0,0,0|3,0,0]=4 1965 B8R1.11 Cn1nncc1CO Amb17538038 [0,1,0,0,0,0|3,0,0]=4 1966 B8R1.11 Fc1ccoc1CS Amb26978441 [0,1,0,0,0,0|0,1,0]=2 1967 B8R1.11 Fc1ccsc1CBr Amb28244697 [0,1,0,0,0,0|1,1,0]=3 1968 B8R1.11 Fc1sccc1CCl Amb27790748 [0,1,0,0,0,0|3,0,0]=4 1969 B8R1.11 N#Cc1cccn1N Amb18203413 [0,1,0,0,0,0|2,0,1]=4 1970 B8R1.11 N#Cc1cccn1N Amb19958421 [0,1,0,0,0,0|2,0,1]=4 1971 B8R1.11 N#Cc1occc1Br Amb26347105 [0,1,0,0,0,0|1,0,1]=3 1972 B8R1.11 N#Cc1sccc1Br Amb2766929 [0,1,0,0,0,0|1,1,1]=4 1973 B8R1.11 N#Cc1sccc1Cl Amb2685809 [0,1,0,0,0,0|1,1,1]=4 1974 B8R1.11 N#Cc1sccc1F Amb27405529 [0,1,0,0,0,0|1,1,1]=4 1975 B8R1.11 N#Cc1sccc1I Amb26019308 [0,1,0,0,0,0|1,1,1]=4 1976 B8R1.11 N#Cc1sccc1N Amb18642210 [0,1,0,0,0,0|1,1,1]=4 1977 B8R1.11 N#Cc1sccc1N Amb22233883 [0,1,0,0,0,0|1,1,1]=4 1978 B8R1.11 N#Cc1sccc1O Amb18642297 [0,1,0,0,0,0|1,1,1]=4 1979 B8R1.11 NC1C=CCC1CO Amb27403535 [0,1,0,0,0,0|1,0,2]=4 1980 B8R1.11 NCc1ccoc1I Amb28316238 [0,1,0,0,0,0|3,0,0]=4 1981 B8R1.11 NCc1ccsc1Br Amb17722051 [0,1,0,0,0,0|3,0,0]=4 1982 B8R1.11 NCc1ccsc1Br Amb2726139 [0,1,0,0,0,0|3,0,0]=4 1983 B8R1.11 NCc1ccsc1Cl Amb24699492 [0,1,0,0,0,0|3,0,0]=4 1984 B8R1.11 NCc1ccsc1I Amb28345753 [0,1,0,0,0,0|3,0,0]=4 1985 B8R1.11 NCc1cscc1Br Amb25955558 [0,1,0,0,0,0|3,0,0]=4 1986 B8R1.11 NCc1cscc1Cl Amb32671100 [0,1,0,0,0,0|3,0,0]=4 1987 B8R1.11 NCc1cscc1I Amb28248719 [0,1,0,0,0,0|3,0,0]=4 1988 B8R1.11 NCc1ncsc1Br Amb23400579 [0,1,0,0,0,0|3,0,0]=4 1989 B8R1.11 NCc1ncsc1Cl Amb23400578 [0,1,0,0,0,0|3,0,0]=4 1990 B8R1.11 NCc1nscc1Br Amb35637863 [0,1,0,0,0,0|3,0,0]=4 1991 B8R1.11 NCc1occc1Br Amb18191028 [0,1,0,0,0,0|1,0,0]=2 1992 B8R1.11 NCc1occc1I Amb26026907 [0,1,0,0,0,0|1,0,0]=2 1993 B8R1.11 NCc1sccc1Br Amb13951625 [0,1,0,0,0,0|1,1,0]=3 1994 B8R1.11 NCc1sccc1Br Amb18280696 [0,1,0,0,0,0|1,1,0]=3 1995 B8R1.11 NCc1sccc1Cl Amb10069119 [0,1,0,0,0,0|1,1,0]=3 1996 B8R1.11 NCc1sccc1Cl Amb22406102 [0,1,0,0,0,0|1,1,0]=3 1997 B8R1.11 NCc1sccc1I Amb27236255 [0,1,0,0,0,0|1,1,0]=3 1998 B8R1.11 NCc1scnc1Br Amb18190431 [0,1,0,0,0,0|2,1,0]=4 1999 B8R1.11 NCc1sncc1Br Amb32664953 [0,1,0,0,0,0|2,1,0]=4 2000 B8R1.11 NCc1sncc1Br Amb32684458 [0,1,0,0,0,0|2,1,0]=4 2001 B8R1.11 NCc1sncc1Cl Amb27186403 [0,1,0,0,0,0|2,1,0]=4 2002 B8R1.11 NNc1sccc1Cl Amb28316218 [0,1,0,0,0,0|2,1,0]=4 2003 B8R1.11 Nc1cccn1CBr Amb28124567 [0,1,0,0,0,0|3,0,0]=4 2004 B8R1.11 Nc1ccoc1C=O Amb18203397 [0,1,0,0,0,0|0,0,2]=3 2005 B8R1.11 Nc1ccoc1C=S Amb25790738 [0,1,0,0,0,0|0,1,1]=3 2006 B8R1.11 Nc1ccoc1CS Amb26471056 [0,1,0,0,0,0|0,1,0]=2 2007 B8R1.11 Nc1ccsc1C=O Amb18202433 [0,1,0,0,0,0|0,1,2]=4 2008 B8R1.11 Nc1ccsc1CO Amb10067607 [0,1,0,0,0,0|0,1,0]=2 2009 B8R1.11 Nc1ccsc1CS Amb32788295 [0,1,0,0,0,0|0,2,0]=3 2010 B8R1.11 Nc1cnoc1CF Amb33378685 [0,1,0,0,0,0|2,0,0]=3 2011 B8R1.11 Nc1nonc1CO Amb22527953 [0,1,0,0,0,0|3,0,0]=4 2012 B8R1.11 Nc1sccc1CO Amb27781063 [0,1,0,0,0,0|2,0,0]=3 2013 B8R1.11 Nc1snnc1CO Amb18523724 [0,1,0,0,0,0|3,0,0]=4 2014 B8R1.11 Nn1cccc1C=O Amb22496148 [0,1,0,0,0,0|1,0,2]=4 2015 B8R1.11 Nn1ccnc1CO Amb27875461 [0,1,0,0,0,0|2,0,0]=3 2016 B8R1.11 O=C1C=CCC1CO Amb27802494 [0,1,0,0,0,0|1,0,1]=3 2017 B8R1.11 O=C1C=COC1CO Amb27482018 [0,1,0,0,0,0|0,0,1]=2 2018 B8R1.11 O=C1C=CS\C1=C\O Amb27401611 [0,1,0,0,0,0|0,1,1]=3 2019 B8R1.11 O=C1CCO\C1=C\O Amb25929807 [0,1,0,0,0,0|0,0,3]=4 2020 B8R1.11 O=C1OC=CC1CO Amb28129883 [0,1,0,0,0,0|2,0,1]=4 2021 B8R1.11 O=C1SC=NN1CO Amb28318577 [0,1,0,0,0,0|3,0,0]=4 2022 B8R1.11 O=CC1=CC=CC1[Na] Amb24646434 [0,1,0,0,0,0|1,0,2]=4 2023 B8R1.11 O=Cc1occc1Br Amb2447448 [0,1,0,0,0,0|0,0,2]=3 2024 B8R1.11 O=Cc1occc1Cl Amb18202965 [0,1,0,0,0,0|0,0,2]=3 2025 B8R1.11 O=Cc1occc1F Amb18203365 [0,1,0,0,0,0|0,0,2]=3 2026 B8R1.11 O=Cc1occc1I Amb25089234 [0,1,0,0,0,0|0,0,2]=3 2027 B8R1.11 O=Cc1occc1O Amb28186907 [0,1,0,0,0,0|0,0,2]=3 2028 B8R1.11 O=Cc1oncc1Br Amb18191116 [0,1,0,0,0,0|1,0,2]=4 2029 B8R1.11 O=Cc1oncc1Cl Amb18199347 [0,1,0,0,0,0|1,0,2]=4 2030 B8R1.11 O=Cc1sccc1Br Amb2725736 [0,1,0,0,0,0|0,1,2]=4 2031 B8R1.11 O=Cc1sccc1Cl Amb2725857 [0,1,0,0,0,0|0,1,2]=4 2032 B8R1.11 O=Cc1sccc1F Amb18832537 [0,1,0,0,0,0|0,1,2]=4 2033 B8R1.11 O=Cc1sccc1I Amb2611693 [0,1,0,0,0,0|0,1,2]=4 2034 B8R1.11 O=Cc1sccc1O Amb5719791 [0,1,0,0,0,0|0,1,2]=4 2035 B8R1.11 O=Nc1occc1O Amb27202170 [0,1,0,0,0,0|1,0,1]=3 2036 B8R1.11 OCC1=C(Br)CCC1 Amb28316143 [0,1,0,0,0,0|1,0,2]=4 2037 B8R1.11 OCC1=C(Cl)CCC1 Amb28138779 [0,1,0,0,0,0|1,0,2]=4 2038 B8R1.11 OCC1CC=CC1O Amb25923040 [0,1,0,0,0,0|1,0,2]=4 2039 B8R1.11 OCC1SC=CC1O Amb27763688 [0,1,0,0,0,0|0,1,2]=4 2040 B8R1.11 OCN1C=CNC1=S Amb28250878 [0,1,0,0,0,0|3,0,0]=4 2041 B8R1.11 OC[C@@H]1CC=C[C@@H]1O Amb22233136 [0,1,0,0,0,0|1,0,2]=4 2042 B8R1.11 OC[C@@H]1OC=C[C@H]1O Amb25376799 [0,1,0,0,0,0|0,0,2]=3 2043 B8R1.11 OC[C@H]1C=CC[C@@H]1O Amb27427837 [0,1,0,0,0,0|1,0,2]=4 2044 B8R1.11 OC[C@H]1CC=C[C@H]1O Amb24514501 [0,1,0,0,0,0|1,0,2]=4 2045 B8R1.11 OC[C@H]1OC=C[C@@H]1O Amb27967186 [0,1,0,0,0,0|0,0,2]=3 2046 B8R1.11 OCc1ccoc1Br Amb26598755 [0,1,0,0,0,0|2,0,0]=3 2047 B8R1.11 OCc1ccoc1Cl Amb26370317 [0,1,0,0,0,0|2,0,0]=3 2048 B8R1.11 OCc1ccsc1Br Amb2724058 [0,1,0,0,0,0|2,0,0]=3 2049 B8R1.11 OCc1ccsc1Cl Amb27205726 [0,1,0,0,0,0|2,0,0]=3 2050 B8R1.11 OCc1cnoc1Br Amb27793615 [0,1,0,0,0,0|3,0,0]=4 2051 B8R1.11 OCc1cocc1F Amb28048909 [0,1,0,0,0,0|2,0,0]=3 2052 B8R1.11 OCc1cocc1I Amb28051668 [0,1,0,0,0,0|2,0,0]=3 2053 B8R1.11 OCc1conc1Cl Amb27970936 [0,1,0,0,0,0|3,0,0]=4 2054 B8R1.11 OCc1cscc1Br Amb6572119 [0,1,0,0,0,0|2,0,0]=3 2055 B8R1.11 OCc1cscc1Cl Amb27646886 [0,1,0,0,0,0|2,0,0]=3 2056 B8R1.11 OCc1cscc1I Amb27796521 [0,1,0,0,0,0|2,0,0]=3 2057 B8R1.11 OCc1ncsc1Br Amb22748664 [0,1,0,0,0,0|2,0,0]=3 2058 B8R1.11 OCc1ncsc1Cl Amb23400577 [0,1,0,0,0,0|2,0,0]=3 2059 B8R1.11 OCc1ncsc1I Amb28316144 [0,1,0,0,0,0|2,0,0]=3 2060 B8R1.11 OCc1nnsc1Cl Amb33526635 [0,1,0,0,0,0|3,0,0]=4 2061 B8R1.11 OCc1nscc1Br Amb24704816 [0,1,0,0,0,0|2,0,0]=3 2062 B8R1.11 OCc1occc1Br Amb22498871 [0,1,0,0,0,0|0,0,0]=1 2063 B8R1.11 OCc1oncc1Br Amb27166367 [0,1,0,0,0,0|1,0,0]=2 2064 B8R1.11 OCc1sccc1Br Amb18330307 [0,1,0,0,0,0|0,1,0]=2 2065 B8R1.11 OCc1sccc1Cl Amb21961457 [0,1,0,0,0,0|0,1,0]=2 2066 B8R1.11 OCc1sccc1F Amb22490780 [0,1,0,0,0,0|0,1,0]=2 2067 B8R1.11 OCc1sccc1I Amb25366864 [0,1,0,0,0,0|0,1,0]=2 2068 B8R1.11 OCc1scnc1Br Amb10603160 [0,1,0,0,0,0|1,1,0]=3 2069 B8R1.11 OCc1scnc1Cl Amb22276071 [0,1,0,0,0,0|1,1,0]=3 2070 B8R1.11 OCc1sncc1Br Amb32664952 [0,1,0,0,0,0|1,1,0]=3 2071 B8R1.11 SCc1ccsc1Br Amb32788192 [0,1,0,0,0,0|2,1,0]=4 2072 B8R1.11 SCc1ccsc1Cl Amb32788653 [0,1,0,0,0,0|2,1,0]=4 2073 B8R1.11 SCc1cscc1Br Amb32788777 [0,1,0,0,0,0|2,1,0]=4 2074 B8R1.11 SCc1occc1Br Amb24717193 [0,1,0,0,0,0|0,1,0]=2 2075 B8R1.11 SCc1occc1Cl Amb27273268 [0,1,0,0,0,0|0,1,0]=2 2076 B8R1.11 SCc1sccc1Br Amb32788468 [0,1,0,0,0,0|0,2,0]=3 2077 B8R1.11 SCc1sccc1Cl Amb32788228 [0,1,0,0,0,0|0,2,0]=3 2078 B8R1.11 SCc1scnc1Cl Amb32788057 [0,1,0,0,0,0|1,2,0]=4 2079 B8R1.11 SCc1sncc1Br Amb32788557 [0,1,0,0,0,0|1,2,0]=4 2080 B8R1.52 CC1(CO)C=CC=C1 Amb27658739 [0,1,0,0,0,0|1,0,1]=3 2081 B8R1.52 CC1(CO)C=CCC1 Amb28256770 [0,1,0,0,0,0|1,0,2]=4 2082 B8R1.52 CC1(CO)C=CCO1 Amb27790314 [0,1,0,0,0,0|0,0,2]=3 2083 B8R1.52 CC1(CO)CC=CC1 Amb26370409 [0,1,0,0,0,0|1,0,2]=4 2084 B8R1.52 C[C@@]1(CO)C=CCO1 Amb27651854 [0,1,0,0,0,0|0,0,2]=3 2085 B8R1.52 NC1(CO)CC=CC1 Amb2683263 [0,1,0,0,0,0|1,0,2]=4 2086 B8R1.52 NCC1(O)CC=CO1 Amb27838330 [0,1,0,0,0,0|1,0,2]=4 2087 B6R0.1 C#C\C=C(/C)CO Amb28193494 [0,0,1,0,0,0|1,0,2]=4 2088 B6R0.1 C=C(C#CC)CO Amb27425072 [0,0,1,0,0,0|1,0,2]=4 2089 B6R0.1 C=C(CCl)OCC Amb27460162 [0,0,1,0,0,0|1,0,2]=4 2090 B6R0.1 C=C(CO)CCN Amb24426567 [0,0,1,0,0,0|2,0,1]=4 2091 B6R0.1 C=C(CO)CCO Amb25825219 [0,0,1,0,0,0|2,0,1]=4 2092 B6R0.1 C=C(CO)SC#N Amb27471281 [0,0,1,0,0,0|1,1,1]=4 2093 B6R0.1 C=C=CC(=O)CBr Amb28326028 [0,0,1,0,0,0|1,0,2]=4 2094 B6R0.1 C=C=CC(=O)CC Amb17593059 [0,0,1,0,0,0|1,0,2]=4 2095 B6R0.1 C=C=CC(C)CO Amb27191974 [0,0,1,0,0,0|1,0,2]=4 2096 B6R0.1 C=C=CC(O)CO Amb27471278 [0,0,1,0,0,0|0,0,2]=3 2097 B6R0.1 C=CCC(=C)C=O Amb18120415 [0,0,1,0,0,0|1,0,2]=4 2098 B6R0.1 C=CCC(=O)CC Amb27173052 [0,0,1,0,0,0|1,0,2]=4 2099 B6R0.1 C=CCC(=O)CN Amb32410102 [0,0,1,0,0,0|1,0,2]=4 2100 B6R0.1 C=CCC(C)CO Amb17593084 [0,0,1,0,0,0|1,0,2]=4 2101 B6R0.1 C=CCC(N)CO Amb24745656 [0,0,1,0,0,0|1,0,2]=4 2102 B6R0.1 C=CCC(N)CO Amb33548733 [0,0,1,0,0,0|1,0,2]=4 2103 B6R0.1 C=CCC(O)CC Amb22734219 [0,0,1,0,0,0|1,0,2]=4 2104 B6R0.1 C=CCC(O)CN Amb22304831 [0,0,1,0,0,0|1,0,2]=4 2105 B6R0.1 C=CC[C@@H](N)CO Amb24088744 [0,0,1,0,0,0|1,0,2]=4 2106 B6R0.1 C=CC[C@@H](N)CO Amb27495413 [0,0,1,0,0,0|1,0,2]=4 2107 B6R0.1 C=CC[C@@H](O)CO Amb27218592 [0,0,1,0,0,0|0,0,2]=3 2108 B6R0.1 C=CC[C@H](N)CO Amb24088875 [0,0,1,0,0,0|1,0,2]=4 2109 B6R0.1 C=CC[C@H](N)CO Amb25732908 [0,0,1,0,0,0|1,0,2]=4 2110 B6R0.1 C=CC[C@H](O)CCl Amb22736707 [0,0,1,0,0,0|1,0,2]=4 2111 B6R0.1 C=CC[C@H](O)CO Amb27632867 [0,0,1,0,0,0|0,0,2]=3 2112 B6R0.1 C=CC\C(N)=N\O Amb2695179 [0,0,1,0,0,0|2,0,1]=4 2113 B6R0.1 C=COC(=O)C=C Amb22231745 [0,0,1,0,0,0|2,0,1]=4 2114 B6R0.1 C=COC(=O)CBr Amb22732072 [0,0,1,0,0,0|2,0,0]=3 2115 B6R0.1 C=COC(=O)CC Amb4018556 [0,0,1,0,0,0|2,0,0]=3 2116 B6R0.1 C=COC(=O)CI Amb17934194 [0,0,1,0,0,0|2,0,0]=3 2117 B6R0.1 C=COC(C)CC Amb27231284 [0,0,1,0,0,0|1,0,2]=4 2118 B6R0.1 C=COC(C)CN Amb27842419 [0,0,1,0,0,0|1,0,2]=4 2119 B6R0.1 C=COC(C)CO Amb28188266 [0,0,1,0,0,0|0,0,2]=3 2120 B6R0.1 C=COC(Cl)CCl Amb28075768 [0,0,1,0,0,0|2,0,1]=4 2121 B6R0.1 C=C\C=C(/C)CBr Amb27634848 [0,0,1,0,0,0|2,0,0]=3 2122 B6R0.1 C=C\C=C(/C)CO Amb17843900 [0,0,1,0,0,0|1,0,0]=2 2123 B6R0.1 C=C\C=C(/Cl)C=O Amb27797386 [0,0,1,0,0,0|1,0,2]=4 2124 B6R0.1 C=C\C=C(\Br)C=O Amb18126250 [0,0,1,0,0,0|1,0,2]=4 2125 B6R0.1 C=C\C=C(\F)CCl Amb27236794 [0,0,1,0,0,0|2,0,0]=3 2126 B6R0.1 CC=C=C(C)CO Amb28048302 [0,0,1,0,0,0|1,0,2]=4 2127 B6R0.1 CCC(=O)\C=C/Cl Amb28351606 [0,0,1,0,0,0|2,0,1]=4 2128 B6R0.1 CCC(=O)\C=C\Cl Amb17593220 [0,0,1,0,0,0|2,0,1]=4 2129 B6R0.1 CCC(=O)\C=C\N Amb26341655 [0,0,1,0,0,0|2,0,1]=4 2130 B6R0.1 CCOC(=N)CO Amb17593094 [0,0,1,0,0,0|1,0,2]=4 2131 B6R0.1 CCOC(=O)CO Amb3939196 [0,0,1,0,0,0|1,0,2]=4 2132 B6R0.1 CC\C(C)=C\C=O Amb28251868 [0,0,1,0,0,0|3,0,0]=4 2133 B6R0.1 CC\C(Cl)=C\C=O Amb28202587 [0,0,1,0,0,0|3,0,0]=4 2134 B6R0.1 CC\C=C(/C)CO Amb22347713 [0,0,1,0,0,0|1,0,2]=4 2135 B6R0.1 CC\C=C(\C)CO Amb24677771 [0,0,1,0,0,0|1,0,2]=4 2136 B6R0.1 CO\C=C(/F)CO Amb22546782 [0,0,1,0,0,0|2,0,1]=4 2137 B6R0.1 C\C(=C/C=O)CBr Amb28396628 [0,0,1,0,0,0|3,0,0]=4 2138 B6R0.1 C\C(=C/C=O)CCl Amb27224793 [0,0,1,0,0,0|3,0,0]=4 2139 B6R0.1 C\C(=C/CBr)CO Amb27778199 [0,0,1,0,0,0|2,0,1]=4 2140 B6R0.1 C\C=C\C(=O)CC Amb8517594 [0,0,1,0,0,0|1,0,2]=4 2141 B6R0.1 C\C=C\C(=O)CCl Amb26438240 [0,0,1,0,0,0|1,0,2]=4 2142 B6R0.1 C\C=C\C(C)CO Amb28074694 [0,0,1,0,0,0|1,0,2]=4 2143 B6R0.1 C\C=C\C(F)CO Amb27207741 [0,0,1,0,0,0|1,0,2]=4 2144 B6R0.1 C\C=C\C(O)CC Amb22731799 [0,0,1,0,0,0|1,0,2]=4 2145 B6R0.1 C\C=C\C(O)CCl Amb25919359 [0,0,1,0,0,0|1,0,2]=4 2146 B6R0.1 C\C=C\C(O)CO Amb27764770 [0,0,1,0,0,0|0,0,2]=3 2147 B6R0.1 C\C=C\[C@@H](C)CO Amb27423303 [0,0,1,0,0,0|1,0,2]=4 2148 B6R0.1 C\C=C\[C@@H](O)CN Amb27814562 [0,0,1,0,0,0|1,0,2]=4 2149 B6R0.1 C\C=C\[C@@H](O)CO Amb27448465 [0,0,1,0,0,0|0,0,2]=3 2150 B6R0.1 C\C=C\[C@H](O)CCl Amb28144520 [0,0,1,0,0,0|1,0,2]=4 2151 B6R0.1 O=C(\C=C/Br)CCl Amb28050548 [0,0,1,0,0,0|2,0,1]=4 2152 B6R0.1 O=C(\C=C\Cl)CCl Amb13952715 [0,0,1,0,0,0|2,0,1]=4 2153 B6R0.1 O=COC(=O)CO Amb27457699 [0,0,1,0,0,0|2,0,0]=3 2154 B6R0.1 OC\C=C(\Br)CO Amb28400680 [0,0,1,0,0,0|2,0,1]=4 2155 B6R0.1 OC\C=C(\Cl)CO Amb27804390 [0,0,1,0,0,0|2,0,1]=4 2156 B6R0.6 C#CC\C=C\CO Amb28398942 [0,0,1,0,0,0|1,0,2]=4 2157 B6R0.6 C=C=CC#CCO Amb17593052 [0,0,1,0,0,0|1,0,2]=4 2158 B6R0.6 C=C=CCCCO Amb10605300 [0,0,1,0,0,0|1,0,2]=4 2159 B6R0.6 C=C=COCCO Amb25721997 [0,0,1,0,0,0|0,0,2]=3 2160 B6R0.6 C=CC#CCCO Amb17593058 [0,0,1,0,0,0|1,0,2]=4 2161 B6R0.6 C=CCC#CCO Amb24479025 [0,0,1,0,0,0|1,0,2]=4 2162 B6R0.6 C=CCCCCO Amb3940341 [0,0,1,0,0,0|1,0,2]=4 2163 B6R0.6 C=CCNCCO Amb6706545 [0,0,1,0,0,0|1,0,2]=4 2164 B6R0.6 C=CCOCCBr Amb33531510 [0,0,1,0,0,0|1,0,2]=4 2165 B6R0.6 C=CCOCCC Amb3940491 [0,0,1,0,0,0|1,0,2]=4 2166 B6R0.6 C=CCOCCCl Amb2696085 [0,0,1,0,0,0|1,0,2]=4 2167 B6R0.6 C=CCOCCI Amb24739964 [0,0,1,0,0,0|1,0,2]=4 2168 B6R0.6 C=CCOCCN Amb32667523 [0,0,1,0,0,0|1,0,2]=4 2169 B6R0.6 C=CCOCCN Amb33530047 [0,0,1,0,0,0|1,0,2]=4 2170 B6R0.6 C=CCOCCO Amb3940609 [0,0,1,0,0,0|0,0,2]=3 2171 B6R0.6 C=CS\C=C\CO Amb27219812 [0,0,1,0,0,0|2,0,0]=3 2172 B6R0.6 C=C\C=C\C=C\C Amb27627431 [0,0,1,0,0,0|2,0,1]=4 2173 B6R0.6 C=C\C=C\C=C\Cl Amb27656821 [0,0,1,0,0,0|2,0,1]=4 2174 B6R0.6 C=C\C=C\CCBr Amb32679337 [0,0,1,0,0,0|2,0,1]=4 2175 B6R0.6 C=C\C=C\CCC Amb33171502 [0,0,1,0,0,0|2,0,1]=4 2176 B6R0.6 C=C\C=C\CCN Amb18639048 [0,0,1,0,0,0|2,0,1]=4 2177 B6R0.6 C=C\C=C\CCN Amb32679368 [0,0,1,0,0,0|2,0,1]=4 2178 B6R0.6 C=C\C=C\CCO Amb34916666 [0,0,1,0,0,0|1,0,1]=3 2179 B6R0.6 CC#C\C=C\CO Amb27808675 [0,0,1,0,0,0|1,0,2]=4 2180 B6R0.6 CC=C=CCCO Amb25888408 [0,0,1,0,0,0|1,0,2]=4 2181 B6R0.6 CCC=C=CC=O Amb27237589 [0,0,1,0,0,0|1,0,2]=4 2182 B6R0.6 CCC\C=C/C=O Amb25885814 [0,0,1,0,0,0|1,0,2]=4 2183 B6R0.6 CCC\C=C\C=O Amb3940431 [0,0,1,0,0,0|1,0,2]=4 2184 B6R0.6 CCC\C=C\CO Amb32660968 [0,0,1,0,0,0|1,0,2]=4 2185 B6R0.6 CCN\C=C/C=O Amb27793118 [0,0,1,0,0,0|2,0,1]=4 2186 B6R0.6 CCO\C=C/C=O Amb27423444 [0,0,1,0,0,0|2,0,1]=4 2187 B6R0.6 CCO\C=C\C=O Amb18639560 [0,0,1,0,0,0|2,0,1]=4 2188 B6R0.6 CC\C=C/CC=O Amb18639157 [0,0,1,0,0,0|1,0,2]=4 2189 B6R0.6 CC\C=C/CCO Amb2720771 [0,0,1,0,0,0|1,0,2]=4 2190 B6R0.6 CC\C=C\C=C/Br Amb27392254 [0,0,1,0,0,0|2,0,0]=3 2191 B6R0.6 CC\C=C\C=C\Br Amb27233492 [0,0,1,0,0,0|2,0,0]=3 2192 B6R0.6 CC\C=C\CCO Amb3940339 [0,0,1,0,0,0|1,0,2]=4 2193 B6R0.6 CC\C=C\CNO Amb33225042 [0,0,1,0,0,0|2,0,1]=4 2194 B6R0.6 COC\C=C\CO Amb33428788 [0,0,1,0,0,0|2,0,1]=4 2195 B6R0.6 CO\C=C\C=C/Cl Amb27863084 [0,0,1,0,0,0|3,0,0]=4 2196 B6R0.6 CSC\C=C\CO Amb33079758 [0,0,1,0,0,0|2,0,1]=4 2197 B6R0.6 C\C=C/CCCO Amb17614951 [0,0,1,0,0,0|1,0,2]=4 2198 B6R0.6 C\C=C\C=C\C#N Amb2720975 [0,0,1,0,0,0|2,0,1]=4 2199 B6R0.6 C\C=C\C=C\C=O Amb33986154 [0,0,1,0,0,0|1,0,2]=4 2200 B6R0.6 C\C=C\C=C\CBr Amb27433479 [0,0,1,0,0,0|2,0,0]=3 2201 B6R0.6 C\C=C\C=C\CCl Amb32652238 [0,0,1,0,0,0|2,0,0]=3 2202 B6R0.6 C\C=C\C=C\CN Amb18639062 [0,0,1,0,0,0|2,0,0]=3 2203 B6R0.6 C\C=C\C=C\CN Amb24117256 [0,0,1,0,0,0|2,0,0]=3 2204 B6R0.6 C\C=C\C=C\CO Amb27848287 [0,0,1,0,0,0|1,0,0]=2 2205 B6R0.6 C\C=C\CCCO Amb22347882 [0,0,1,0,0,0|1,0,2]=4 2206 B6R0.6 Cl\C=C/OCCCl Amb27843981 [0,0,1,0,0,0|2,0,1]=4 2207 B6R0.6 N#CC\C=C\CO Amb27604469 [0,0,1,0,0,0|1,0,2]=4 2208 B6R0.6 NC\C=C\CCO Amb27969293 [0,0,1,0,0,0|1,0,2]=4 2209 B6R0.6 N\C=C/C=C/C=O Amb27838284 [0,0,1,0,0,0|1,0,2]=4 2210 B6R0.6 N\C=C\C=C\C=O Amb27873733 [0,0,1,0,0,0|1,0,2]=4 2211 B6R0.6 O=C=C\C=C/C=O Amb28128301 [0,0,1,0,0,0|0,0,3]=4 2212 B6R0.6 O=C\C=C/C=C\S Amb27166146 [0,0,1,0,0,0|0,1,2]=4 2213 B6R0.6 O=C\C=C/CCO Amb27235316 [0,0,1,0,0,0|0,0,2]=3 2214 B6R0.6 O=C\C=C\C=C\Br Amb16233577 [0,0,1,0,0,0|1,0,2]=4 2215 B6R0.6 O=C\C=C\C=C\Cl Amb27760447 [0,0,1,0,0,0|1,0,2]=4 2216 B6R0.6 O=C\C=C\C=C\O Amb27646525 [0,0,1,0,0,0|0,0,2]=3 2217 B6R0.6 O=C\C=C\C=C\S Amb28051864 [0,0,1,0,0,0|0,1,2]=4 2218 B6R0.6 O=C\C=C\CCF Amb33429802 [0,0,1,0,0,0|1,0,2]=4 2219 B6R0.6 OCCC\C=C\Br Amb27483322 [0,0,1,0,0,0|1,0,2]=4 2220 B6R0.6 OCCC\C=C\I Amb27879078 [0,0,1,0,0,0|1,0,2]=4 2221 B6R0.6 OCC\C=C/CBr Amb27750410 [0,0,1,0,0,0|1,0,2]=4 2222 B6R0.6 OCC\C=C\CCl Amb27227431 [0,0,1,0,0,0|1,0,2]=4 2223 B6R0.6 OC\C=C\C=C\Br Amb27750080 [0,0,1,0,0,0|1,0,0]=2 2224 B6R0.6 OC\C=C\C=C\Cl Amb27858902 [0,0,1,0,0,0|1,0,0]=2 2225 B6R0.6 OC\C=C\CCF Amb33196119 [0,0,1,0,0,0|1,0,2]=4 2226 B6R0.6 OC\C=C\CCO Amb26017278 [0,0,1,0,0,0|0,0,2]=3 2227 B6R0.6 [N-]=[N+]=N\C=C/CO Amb27863872 [0,0,1,0,0,0|3,0,0]=4 2228 B6R0.9 C=CC(C=C)CBr Amb27666906 [0,0,1,0,0,0|2,0,1]=4 2229 B6R0.9 C=CC(CC)OC Amb28429197 [0,0,1,0,0,0|1,0,2]=4 2230 B6R0.9 C=CC(CN)OC Amb27461249 [0,0,1,0,0,0|1,0,2]=4 2231 B6R0.9 C=CC(CO)CO Amb26896788 [0,0,1,0,0,0|2,0,1]=4 2232 B6R0.9 C=CC(CO)OC Amb22228508 [0,0,1,0,0,0|0,0,2]=3 2233 B6R0.9 C=C[C@@H](CO)NC Amb27838264 [0,0,1,0,0,0|1,0,2]=4 2234 B6R0.9 C=C[C@H](CO)OC Amb27835146 [0,0,1,0,0,0|0,0,2]=3 2235 B6R0.9 C=C\C(=C/Br)CC Amb27848004 [0,0,1,0,0,0|3,0,0]=4 2236 B6R0.9 CC\C(=C\Br)CO Amb28290248 [0,0,1,0,0,0|2,0,1]=4 2237 B6R0.9 CO[C@@H](C=O)CO Amb27759414 [0,0,1,0,0,0|1,0,2]=4 2238 B6R0.9 C\C=C(\C=O)CO Amb28388682 [0,0,1,0,0,0|2,0,1]=4 2239 B6R0.9 C\C=C(\CC)CO Amb27637925 [0,0,1,0,0,0|1,0,2]=4 2240 B8R2.11 O=C1c2ccsc21 Amb27802559 [0,0,0,1,0,0|0,1,2]=4 2241 B8R2.34 C1=CC2CC1CO2 Amb28050221 [0,0,0,1,0,0|1,0,2]=4 2242 B8R2.34 C1=CC2CCC1O2 Amb24545043 [0,0,0,1,0,0|1,0,2]=4 2243 B8R2.34 C1=C[C@H]2CC[C@H]1O2 Amb27804473 [0,0,0,1,0,0|1,0,2]=4 2244 B6R1.6 BrCC1C=CC1 Amb27188357 [0,0,0,0,1,0|1,0,2]=4 2245 B6R1.6 ClCC1=CCC1 Amb27815042 [0,0,0,0,1,0|1,0,2]=4 2246 B6R1.6 NCC1C=CC1 Amb32658178 [0,0,0,0,1,0|1,0,2]=4 2247 B6R1.6 OCC1C=CC1 Amb26987497 [0,0,0,0,1,0|0,0,2]=3 2248 B6R1.6 OCC1CCO1 Amb21960943 [0,0,0,0,1,0|0,0,3]=4 2249 B6R1.6 OC[C@H]1CCO1 Amb24559274 [0,0,0,0,1,0|0,0,3]=4 2250 B8R1.2 BrCC1=CC=CC#C1 Amb27477926 [0,0,0,0,0,1|2,0,0]=3 2251 B8R1.2 BrCC1=COCCO1 Amb29866238 [0,0,0,0,0,1|1,0,2]=4 2252 B8R1.2 BrCC1CC=CCO1 Amb27985852 [0,0,0,0,0,1|1,0,2]=4 2253 B8R1.2 BrCc1ccccc1 Amb3939707 [0,0,0,0,0,1|2,0,0]=3 2254 B8R1.2 BrCc1ccccn1 Amb3939990 [0,0,0,0,0,1|2,0,0]=3 2255 B8R1.2 BrCc1ccccn1 Amb8393294 [0,0,0,0,0,1|2,0,0]=3 2256 B8R1.2 BrCc1cccnc1 Amb3939989 [0,0,0,0,0,1|2,0,0]=3 2257 B8R1.2 BrCc1cccnc1 Amb9826052 [0,0,0,0,0,1|2,0,0]=3 2258 B8R1.2 BrCc1cccnn1 Amb10070423 [0,0,0,0,0,1|2,0,0]=3 2259 B8R1.2 BrCc1cccnn1 Amb22234747 [0,0,0,0,0,1|2,0,0]=3 2260 B8R1.2 BrCc1ccncc1 Amb3939991 [0,0,0,0,0,1|2,0,0]=3 2261 B8R1.2 BrCc1ccncc1 Amb9826062 [0,0,0,0,0,1|2,0,0]=3 2262 B8R1.2 BrCc1ccncn1 Amb22235520 [0,0,0,0,0,1|2,0,0]=3 2263 B8R1.2 BrCc1ccnnc1 Amb25966814 [0,0,0,0,0,1|3,0,0]=4 2264 B8R1.2 BrCc1cnccn1 Amb16185761 [0,0,0,0,0,1|2,0,0]=3 2265 B8R1.2 BrCc1cnccn1 Amb22498353 [0,0,0,0,0,1|2,0,0]=3 2266 B8R1.2 BrCc1cncnc1 Amb22001742 [0,0,0,0,0,1|3,0,0]=4 2267 B8R1.2 BrCc1cncnc1 Amb22751382 [0,0,0,0,0,1|3,0,0]=4 2268 B8R1.2 BrCc1ncccn1 Amb26456265 [0,0,0,0,0,1|2,0,0]=3 2269 B8R1.2 Br[Mg]c1ccccn1 Amb22000542 [0,0,0,0,0,1|3,0,0]=4 2270 B8R1.2 Br[Mg]c1cccnc1 Amb28989773 [0,0,0,0,0,1|3,0,0]=4 2271 B8R1.2 Br[Se]c1ccccc1 Amb8514629 [0,0,0,0,0,1|3,0,0]=4 2272 B8R1.2 C#Cc1ccccc1 Amb2793084 [0,0,0,0,0,1|2,0,1]=4 2273 B8R1.2 C#Cc1ccccn1 Amb2720532 [0,0,0,0,0,1|2,0,1]=4 2274 B8R1.2 C#Cc1ccccn1 Amb32664778 [0,0,0,0,0,1|2,0,1]=4 2275 B8R1.2 C#Cc1cccnc1 Amb10067163 [0,0,0,0,0,1|2,0,1]=4 2276 B8R1.2 C#Cc1cccnn1 Amb23439062 [0,0,0,0,0,1|2,0,1]=4 2277 B8R1.2 C#Cc1ccncc1 Amb13891877 [0,0,0,0,0,1|2,0,1]=4 2278 B8R1.2 C#Cc1ccncc1 Amb33541704 [0,0,0,0,0,1|2,0,1]=4 2279 B8R1.2 C#Cc1ccncn1 Amb33547137 [0,0,0,0,0,1|2,0,1]=4 2280 B8R1.2 C#Cc1cnccn1 Amb19895048 [0,0,0,0,0,1|2,0,1]=4 2281 B8R1.2 C#Cc1ncccn1 Amb19957825 [0,0,0,0,0,1|2,0,1]=4 2282 B8R1.2 C=Cc1ccccc1 Amb6608811 [0,0,0,0,0,1|2,0,1]=4 2283 B8R1.2 C=Cc1ccccn1 Amb6600549 [0,0,0,0,0,1|2,0,1]=4 2284 B8R1.2 C=Cc1cccnc1 Amb33544464 [0,0,0,0,0,1|2,0,1]=4 2285 B8R1.2 C=Cc1cccnn1 Amb25026421 [0,0,0,0,0,1|2,0,1]=4 2286 B8R1.2 C=Cc1ccncc1 Amb3940417 [0,0,0,0,0,1|2,0,1]=4 2287 B8R1.2 C=Cc1ccncn1 Amb24056360 [0,0,0,0,0,1|2,0,1]=4 2288 B8R1.2 C=Cc1cnccn1 Amb2695475 [0,0,0,0,0,1|2,0,1]=4 2289 B8R1.2 C=Cc1ncccn1 Amb23411991 [0,0,0,0,0,1|2,0,1]=4 2290 B8R1.2 C=Nc1ccccc1 Amb24605672 [0,0,0,0,0,1|3,0,0]=4 2291 B8R1.2 C=Nc1ccccn1 Amb26956421 [0,0,0,0,0,1|3,0,0]=4 2292 B8R1.2 CCC1=CC=CNC1 Amb27643536 [0,0,0,0,0,1|2,0,0]=3 2293 B8R1.2 CC[n+]1ccccc1 Amb8516219 [0,0,0,0,0,1|3,0,0]=4 2294 B8R1.2 CC[n+]1ccccc1 Amb8516636 [0,0,0,0,0,1|3,0,0]=4 2295 B8R1.2 CCc1ccccc1 Amb2447474 [0,0,0,0,0,1|2,0,0]=3 2296 B8R1.2 CCc1ccccn1 Amb6608978 [0,0,0,0,0,1|2,0,0]=3 2297 B8R1.2 CCc1cccnc1 Amb4037096 [0,0,0,0,0,1|2,0,0]=3 2298 B8R1.2 CCc1cccnn1 Amb28290156 [0,0,0,0,0,1|2,0,0]=3 2299 B8R1.2 CCc1ccncc1 Amb8513449 [0,0,0,0,0,1|2,0,0]=3 2300 B8R1.2 CCc1ccncn1 Amb20242304 [0,0,0,0,0,1|2,0,0]=3 2301 B8R1.2 CCc1cnccn1 Amb6374282 [0,0,0,0,0,1|2,0,0]=3 2302 B8R1.2 CCc1cncnc1 Amb24097063 [0,0,0,0,0,1|3,0,0]=4 2303 B8R1.2 CCc1ncccn1 Amb33544267 [0,0,0,0,0,1|2,0,0]=3 2304 B8R1.2 CNc1ccccc1 Amb2721038 [0,0,0,0,0,1|3,0,0]=4 2305 B8R1.2 CNc1ccccc1 Amb4037054 [0,0,0,0,0,1|3,0,0]=4 2306 B8R1.2 CNc1ccccn1 Amb3429849 [0,0,0,0,0,1|3,0,0]=4 2307 B8R1.2 CNc1cccnc1 Amb8396762 [0,0,0,0,0,1|3,0,0]=4 2308 B8R1.2 CNc1cccnn1 Amb18947507 [0,0,0,0,0,1|3,0,0]=4 2309 B8R1.2 CNc1ccncc1 Amb2610661 [0,0,0,0,0,1|3,0,0]=4 2310 B8R1.2 CNc1ccncn1 Amb18944730 [0,0,0,0,0,1|3,0,0]=4 2311 B8R1.2 CNc1cnccn1 Amb1102655 [0,0,0,0,0,1|3,0,0]=4 2312 B8R1.2 CNc1ncccn1 Amb2609521 [0,0,0,0,0,1|3,0,0]=4 2313 B8R1.2 COC1=CCC=CC1 Amb10842162 [0,0,0,0,0,1|3,0,0]=4 2314 B8R1.2 COc1ccccc1 Amb2842269 [0,0,0,0,0,1|3,0,0]=4 2315 B8R1.2 COc1ccccn1 Amb4037280 [0,0,0,0,0,1|3,0,0]=4 2316 B8R1.2 COc1cccnc1 Amb8517634 [0,0,0,0,0,1|3,0,0]=4 2317 B8R1.2 COc1cccnn1 Amb5751228 [0,0,0,0,0,1|3,0,0]=4 2318 B8R1.2 COc1ccncc1 Amb2609546 [0,0,0,0,0,1|3,0,0]=4 2319 B8R1.2 COc1ccncc1 Amb28991347 [0,0,0,0,0,1|3,0,0]=4 2320 B8R1.2 COc1ccncn1 Amb15692928 [0,0,0,0,0,1|3,0,0]=4 2321 B8R1.2 COc1cnccn1 Amb2689275 [0,0,0,0,0,1|3,0,0]=4 2322 B8R1.2 COc1ncccn1 Amb2609513 [0,0,0,0,0,1|3,0,0]=4 2323 B8R1.2 CPc1ccccc1 Amb25341327 [0,0,0,0,0,1|3,0,0]=4 2324 B8R1.2 CSC1=CC=CNC1 Amb27205077 [0,0,0,0,0,1|3,0,0]=4 2325 B8R1.2 CSc1ccccc1 Amb2690593 [0,0,0,0,0,1|3,0,0]=4 2326 B8R1.2 CSc1ccccn1 Amb8392843 [0,0,0,0,0,1|3,0,0]=4 2327 B8R1.2 CSc1cccnc1 Amb24087396 [0,0,0,0,0,1|3,0,0]=4 2328 B8R1.2 CSc1ccncc1 Amb24103013 [0,0,0,0,0,1|3,0,0]=4 2329 B8R1.2 CSc1ccncn1 Amb27958790 [0,0,0,0,0,1|3,0,0]=4 2330 B8R1.2 CSc1cnccn1 Amb2689740 [0,0,0,0,0,1|3,0,0]=4 2331 B8R1.2 CSc1ncccn1 Amb22295856 [0,0,0,0,0,1|3,0,0]=4 2332 B8R1.2 CSc1ncccn1 Amb2455862 [0,0,0,0,0,1|3,0,0]=4 2333 B8R1.2 ClCC1=CCCCO1 Amb23585659 [0,0,0,0,0,1|1,0,2]=4 2334 B8R1.2 ClCC1=COCCO1 Amb28199866 [0,0,0,0,0,1|1,0,2]=4 2335 B8R1.2 ClCC1=CSCCO1 Amb27254189 [0,0,0,0,0,1|1,0,2]=4 2336 B8R1.2 ClCC1CC=CCO1 Amb27494302 [0,0,0,0,0,1|1,0,2]=4 2337 B8R1.2 ClCc1cc[nH+]cc1 Amb4258486 [0,0,0,0,0,1|2,0,0]=3 2338 B8R1.2 ClCc1ccccc1 Amb2792911 [0,0,0,0,0,1|2,0,0]=3 2339 B8R1.2 ClCc1ccccn1 Amb22489454 [0,0,0,0,0,1|2,0,0]=3 2340 B8R1.2 ClCc1ccccn1 Amb534985 [0,0,0,0,0,1|2,0,0]=3 2341 B8R1.2 ClCc1ccccn1 Amb6296082 [0,0,0,0,0,1|2,0,0]=3 2342 B8R1.2 ClCc1cccnc1 Amb2725600 [0,0,0,0,0,1|2,0,0]=3 2343 B8R1.2 ClCc1cccnc1 Amb534994 [0,0,0,0,0,1|2,0,0]=3 2344 B8R1.2 ClCc1cccnn1 Amb21960122 [0,0,0,0,0,1|2,0,0]=3 2345 B8R1.2 ClCc1cccnn1 Amb22000870 [0,0,0,0,0,1|2,0,0]=3 2346 B8R1.2 ClCc1ccncc1 Amb2715054 [0,0,0,0,0,1|2,0,0]=3 2347 B8R1.2 ClCc1ccncn1 Amb21864735 [0,0,0,0,0,1|2,0,0]=3 2348 B8R1.2 ClCc1ccncn1 Amb22491514 [0,0,0,0,0,1|2,0,0]=3 2349 B8R1.2 ClCc1ccnnc1 Amb27599955 [0,0,0,0,0,1|3,0,0]=4 2350 B8R1.2 ClCc1cnccn1 Amb15741173 [0,0,0,0,0,1|2,0,0]=3 2351 B8R1.2 ClCc1cnccn1 Amb8860572 [0,0,0,0,0,1|2,0,0]=3 2352 B8R1.2 ClCc1cncnc1 Amb10605864 [0,0,0,0,0,1|3,0,0]=4 2353 B8R1.2 ClCc1cncnc1 Amb20671193 [0,0,0,0,0,1|3,0,0]=4 2354 B8R1.2 ClCc1ncccn1 Amb5754387 [0,0,0,0,0,1|2,0,0]=3 2355 B8R1.2 ClCc1ncccn1 Amb7101515 [0,0,0,0,0,1|2,0,0]=3 2356 B8R1.2 Cl[Se]c1ccccc1 Amb8513798 [0,0,0,0,0,1|3,0,0]=4 2357 B8R1.2 Cl[SiH2]c1ccccc1 Amb22351128 [0,0,0,0,0,1|2,1,0]=4 2358 B8R1.2 FCc1ccccc1 Amb10838335 [0,0,0,0,0,1|2,0,0]=3 2359 B8R1.2 FCc1cccnc1 Amb25259171 [0,0,0,0,0,1|2,0,0]=3 2360 B8R1.2 FCc1ccncc1 Amb22372287 [0,0,0,0,0,1|2,0,0]=3 2361 B8R1.2 ICc1ccccc1 Amb4006861 [0,0,0,0,0,1|2,0,0]=3 2362 B8R1.2 ICc1ccccn1 Amb26963503 [0,0,0,0,0,1|2,0,0]=3 2363 B8R1.2 ICc1cccnc1 Amb10602162 [0,0,0,0,0,1|2,0,0]=3 2364 B8R1.2 ICc1cccnc1 Amb33527054 [0,0,0,0,0,1|2,0,0]=3 2365 B8R1.2 ICc1ccncc1 Amb33552994 [0,0,0,0,0,1|2,0,0]=3 2366 B8R1.2 ICc1ncccn1 Amb28186407 [0,0,0,0,0,1|2,0,0]=3 2367 B8R1.2 I[Se]c1ccccc1 Amb10601593 [0,0,0,0,0,1|3,0,0]=4 2368 B8R1.2 N#CC1=CC=CNC1 Amb27166581 [0,0,0,0,0,1|2,0,1]=4 2369 B8R1.2 N#Cc1ccccc1 Amb21864642 [0,0,0,0,0,1|2,0,1]=4 2370 B8R1.2 N#Cc1ccccc1 Amb2793082 [0,0,0,0,0,1|2,0,1]=4 2371 B8R1.2 N#Cc1ccccn1 Amb2721574 [0,0,0,0,0,1|2,0,1]=4 2372 B8R1.2 N#Cc1cccnc1 Amb1792577 [0,0,0,0,0,1|2,0,1]=4 2373 B8R1.2 N#Cc1cccnn1 Amb13884089 [0,0,0,0,0,1|2,0,1]=4 2374 B8R1.2 N#Cc1ccncc1 Amb2609937 [0,0,0,0,0,1|2,0,1]=4 2375 B8R1.2 N#Cc1ccncn1 Amb13884090 [0,0,0,0,0,1|2,0,1]=4 2376 B8R1.2 N#Cc1cnccn1 Amb2686609 [0,0,0,0,0,1|2,0,1]=4 2377 B8R1.2 N#Cc1ncccn1 Amb2686610 [0,0,0,0,0,1|2,0,1]=4 2378 B8R1.2 N#[N+]c1ccccc1 Amb10564805 [0,0,0,0,0,1|3,0,0]=4 2379 B8R1.2 N=Nc1cnccn1 Amb27849107 [0,0,0,0,0,1|3,0,0]=4 2380 B8R1.2 NCC1=CCCCO1 Amb33457505 [0,0,0,0,0,1|1,0,2]=4 2381 B8R1.2 NCC1=CCCCO1 Amb8009853 [0,0,0,0,0,1|1,0,2]=4 2382 B8R1.2 NCC1=CCCOC1 Amb24329061 [0,0,0,0,0,1|1,0,2]=4 2383 B8R1.2 NCC1=CCCOC1 Amb28934826 [0,0,0,0,0,1|1,0,2]=4 2384 B8R1.2 NCC1=CCOC=C1 Amb28313810 [0,0,0,0,0,1|2,0,1]=4 2385 B8R1.2 NCC1=COC=CO1 Amb28241554 [0,0,0,0,0,1|1,0,0]=2 2386 B8R1.2 NCC1=COCCO1 Amb9677510 [0,0,0,0,0,1|1,0,2]=4 2387 B8R1.2 NCC1C=CC=CN1 Amb28119968 [0,0,0,0,0,1|2,0,1]=4 2388 B8R1.2 NCC1CC=CCO1 Amb33457361 [0,0,0,0,0,1|1,0,2]=4 2389 B8R1.2 NCC1CC=CCO1 Amb33457362 [0,0,0,0,0,1|1,0,2]=4 2390 B8R1.2 NCC1CCC=CO1 Amb16233709 [0,0,0,0,0,1|1,0,2]=4 2391 B8R1.2 NCc1ccccc1 Amb19958612 [0,0,0,0,0,1|2,0,0]=3 2392 B8R1.2 NCc1ccccc1 Amb2725314 [0,0,0,0,0,1|2,0,0]=3 2393 B8R1.2 NCc1ccccc1 Amb2792834 [0,0,0,0,0,1|2,0,0]=3 2394 B8R1.2 NCc1ccccc1 Amb6383294 [0,0,0,0,0,1|2,0,0]=3 2395 B8R1.2 NCc1ccccn1 Amb20620292 [0,0,0,0,0,1|2,0,0]=3 2396 B8R1.2 NCc1ccccn1 Amb2684477 [0,0,0,0,0,1|2,0,0]=3 2397 B8R1.2 NCc1cccnc1 Amb1481403 [0,0,0,0,0,1|2,0,0]=3 2398 B8R1.2 NCc1cccnc1 Amb2189172 [0,0,0,0,0,1|2,0,0]=3 2399 B8R1.2 NCc1cccnc1 Amb6383332 [0,0,0,0,0,1|2,0,0]=3 2400 B8R1.2 NCc1cccnn1 Amb24183396 [0,0,0,0,0,1|2,0,0]=3 2401 B8R1.2 NCc1cccnn1 Amb8009405 [0,0,0,0,0,1|2,0,0]=3 2402 B8R1.2 NCc1ccncc1 Amb1156526 [0,0,0,0,0,1|2,0,0]=3 2403 B8R1.2 NCc1ccncc1 Amb20622010 [0,0,0,0,0,1|2,0,0]=3 2404 B8R1.2 NCc1ccncn1 Amb3941350 [0,0,0,0,0,1|2,0,0]=3 2405 B8R1.2 NCc1ccncn1 Amb7101495 [0,0,0,0,0,1|2,0,0]=3 2406 B8R1.2 NCc1ccncn1 Amb8503484 [0,0,0,0,0,1|2,0,0]=3 2407 B8R1.2 NCc1ccnnc1 Amb19957512 [0,0,0,0,0,1|3,0,0]=4 2408 B8R1.2 NCc1ccnnc1 Amb22405863 [0,0,0,0,0,1|3,0,0]=4 2409 B8R1.2 NCc1ccnnc1 Amb8009406 [0,0,0,0,0,1|3,0,0]=4 2410 B8R1.2 NCc1cnccn1 Amb10067734 [0,0,0,0,0,1|2,0,0]=3 2411 B8R1.2 NCc1cnccn1 Amb10068908 [0,0,0,0,0,1|2,0,0]=3 2412 B8R1.2 NCc1cnccn1 Amb33543243 [0,0,0,0,0,1|2,0,0]=3 2413 B8R1.2 NCc1cnccn1 Amb8629877 [0,0,0,0,0,1|2,0,0]=3 2414 B8R1.2 NCc1cncnc1 Amb22899160 [0,0,0,0,0,1|3,0,0]=4 2415 B8R1.2 NCc1cncnc1 Amb33716254 [0,0,0,0,0,1|3,0,0]=4 2416 B8R1.2 NCc1cncnc1 Amb5492751 [0,0,0,0,0,1|3,0,0]=4 2417 B8R1.2 NCc1cncnn1 Amb18203400 [0,0,0,0,0,1|3,0,0]=4 2418 B8R1.2 NCc1ncccn1 Amb10068909 [0,0,0,0,0,1|2,0,0]=3 2419 B8R1.2 NCc1ncccn1 Amb1139642 [0,0,0,0,0,1|2,0,0]=3 2420 B8R1.2 NCc1ncccn1 Amb33533773 [0,0,0,0,0,1|2,0,0]=3 2421 B8R1.2 NCc1ncccn1 Amb33549601 [0,0,0,0,0,1|2,0,0]=3 2422 B8R1.2 NCc1nccnn1 Amb18203401 [0,0,0,0,0,1|3,0,0]=4 2423 B8R1.2 NCc1ncncn1 Amb18860197 [0,0,0,0,0,1|3,0,0]=4 2424 B8R1.2 NNc1ccccc1 Amb22002446 [0,0,0,0,0,1|3,0,0]=4 2425 B8R1.2 NNc1ccccc1 Amb2793062 [0,0,0,0,0,1|3,0,0]=4 2426 B8R1.2 NNc1ccccc1 Amb8513467 [0,0,0,0,0,1|3,0,0]=4 2427 B8R1.2 NNc1ccccn1 Amb1104567 [0,0,0,0,0,1|3,0,0]=4 2428 B8R1.2 NNc1ccccn1 Amb6297231 [0,0,0,0,0,1|3,0,0]=4 2429 B8R1.2 NNc1cccnc1 Amb10177783 [0,0,0,0,0,1|3,0,0]=4 2430 B8R1.2 NNc1cccnc1 Amb16192849 [0,0,0,0,0,1|3,0,0]=4 2431 B8R1.2 NNc1cccnc1 Amb2092671 [0,0,0,0,0,1|3,0,0]=4 2432 B8R1.2 NNc1cccnn1 Amb16185786 [0,0,0,0,0,1|3,0,0]=4 2433 B8R1.2 NNc1cccnn1 Amb16231295 [0,0,0,0,0,1|3,0,0]=4 2434 B8R1.2 NNc1ccncc1 Amb32409472 [0,0,0,0,0,1|3,0,0]=4 2435 B8R1.2 NNc1ccncc1 Amb5494094 [0,0,0,0,0,1|3,0,0]=4 2436 B8R1.2 NNc1ccncc1 Amb6296706 [0,0,0,0,0,1|3,0,0]=4 2437 B8R1.2 NNc1ccncc1 Amb6297752 [0,0,0,0,0,1|3,0,0]=4 2438 B8R1.2 NNc1ccncn1 Amb22011554 [0,0,0,0,0,1|3,0,0]=4 2439 B8R1.2 NNc1ccncn1 Amb22757340 [0,0,0,0,0,1|3,0,0]=4 2440 B8R1.2 NNc1cnccn1 Amb1111598 [0,0,0,0,0,1|3,0,0]=4 2441 B8R1.2 NNc1ncccn1 Amb1114665 [0,0,0,0,0,1|3,0,0]=4 2442 B8R1.2 NNc1ncccn1 Amb2182937 [0,0,0,0,0,1|3,0,0]=4 2443 B8R1.2 NNc1ncccn1 Amb22587655 [0,0,0,0,0,1|3,0,0]=4 2444 B8R1.2 NOc1ccccc1 Amb18123833 [0,0,0,0,0,1|3,0,0]=4 2445 B8R1.2 NOc1ccccc1 Amb22231364 [0,0,0,0,0,1|3,0,0]=4 2446 B8R1.2 NOc1ccccn1 Amb24101187 [0,0,0,0,0,1|3,0,0]=4 2447 B8R1.2 NOc1cccnc1 Amb27603515 [0,0,0,0,0,1|3,0,0]=4 2448 B8R1.2 NOc1ccncc1 Amb8386473 [0,0,0,0,0,1|3,0,0]=4 2449 B8R1.2 N\N=C1/C=CC=CN1 Amb22732534 [0,0,0,0,0,1|3,0,0]=4 2450 B8R1.2 O=Bc1ccccc1 Amb25221658 [0,0,0,0,0,1|2,0,1]=4 2451 B8R1.2 O=CC1=CC=CSC1 Amb28194907 [0,0,0,0,0,1|0,1,2]=4 2452 B8R1.2 O=CC1=CCC=CO1 Amb27437201 [0,0,0,0,0,1|0,0,2]=3 2453 B8R1.2 O=CC1=CNC=CC1 Amb27216667 [0,0,0,0,0,1|1,0,2]=4 2454 B8R1.2 O=Cc1ccccc1 Amb2792754 [0,0,0,0,0,1|1,0,2]=4 2455 B8R1.2 O=Cc1ccccn1 Amb2720349 [0,0,0,0,0,1|1,0,2]=4 2456 B8R1.2 O=Cc1cccnc1 Amb2720350 [0,0,0,0,0,1|1,0,2]=4 2457 B8R1.2 O=Cc1cccnn1 Amb8010287 [0,0,0,0,0,1|1,0,2]=4 2458 B8R1.2 O=Cc1ccncc1 Amb932832 [0,0,0,0,0,1|1,0,2]=4 2459 B8R1.2 O=Cc1ccncn1 Amb8009550 [0,0,0,0,0,1|1,0,2]=4 2460 B8R1.2 O=Cc1cnccn1 Amb8009498 [0,0,0,0,0,1|1,0,2]=4 2461 B8R1.2 O=Cc1ncccn1 Amb8010587 [0,0,0,0,0,1|1,0,2]=4 2462 B8R1.2 O=Nc1ccccc1 Amb9785158 [0,0,0,0,0,1|2,0,1]=4 2463 B8R1.2 O=Nc1ccccn1 Amb31031129 [0,0,0,0,0,1|2,0,1]=4 2464 B8R1.2 O=Nc1cccnn1 Amb27962605 [0,0,0,0,0,1|2,0,1]=4 2465 B8R1.2 O=[IH2]c1ccccc1 Amb15692855 [0,0,0,0,0,1|2,0,1]=4 2466 B8R1.2 OCC1=CCCCC1 Amb24122911 [0,0,0,0,0,1|1,0,2]=4 2467 B8R1.2 OCC1=CCCCO1 Amb20248629 [0,0,0,0,0,1|0,0,2]=3 2468 B8R1.2 OCC1=CCCOC1 Amb24329074 [0,0,0,0,0,1|0,0,2]=3 2469 B8R1.2 OCC1=CCOCC1 Amb27394889 [0,0,0,0,0,1|1,0,2]=4 2470 B8R1.2 OCC1=CCSCC1 Amb28189541 [0,0,0,0,0,1|1,0,2]=4 2471 B8R1.2 OCC1=COCCC1 Amb24426430 [0,0,0,0,0,1|0,0,3]=4 2472 B8R1.2 OCC1=COCCO1 Amb19319714 [0,0,0,0,0,1|0,0,2]=3 2473 B8R1.2 OCC1=CSCCS1 Amb27766515 [0,0,0,0,0,1|0,1,2]=4 2474 B8R1.2 OCC1=NOCCC1 Amb25675358 [0,0,0,0,0,1|0,0,3]=4 2475 B8R1.2 OCC1C=CCCC1 Amb17593156 [0,0,0,0,0,1|1,0,2]=4 2476 B8R1.2 OCC1C=CCCN1 Amb32683449 [0,0,0,0,0,1|1,0,2]=4 2477 B8R1.2 OCC1C=CCCO1 Amb27249902 [0,0,0,0,0,1|0,0,2]=3 2478 B8R1.2 OCC1C=CCOC1 Amb27755980 [0,0,0,0,0,1|0,0,2]=3 2479 B8R1.2 OCC1CC=CCC1 Amb3939071 [0,0,0,0,0,1|1,0,2]=4 2480 B8R1.2 OCC1CC=CCO1 Amb25316226 [0,0,0,0,0,1|0,0,2]=3 2481 B8R1.2 OCC1CCC=CO1 Amb3939374 [0,0,0,0,0,1|0,0,2]=3 2482 B8R1.2 OC[C@@H]1C=CCOC1 Amb27398322 [0,0,0,0,0,1|0,0,2]=3 2483 B8R1.2 OC[C@H]1CC=CCO1 Amb27198230 [0,0,0,0,0,1|0,0,2]=3 2484 B8R1.2 OC[C@H]1CCC=CO1 Amb27771482 [0,0,0,0,0,1|0,0,2]=3 2485 B8R1.2 OCc1ccccc1 Amb3939216 [0,0,0,0,0,1|1,0,0]=2 2486 B8R1.2 OCc1ccccn1 Amb16231923 [0,0,0,0,0,1|1,0,0]=2 2487 B8R1.2 OCc1ccccn1 Amb2610526 [0,0,0,0,0,1|1,0,0]=2 2488 B8R1.2 OCc1cccnc1 Amb2720347 [0,0,0,0,0,1|1,0,0]=2 2489 B8R1.2 OCc1cccnn1 Amb5282882 [0,0,0,0,0,1|1,0,0]=2 2490 B8R1.2 OCc1ccncc1 Amb24183964 [0,0,0,0,0,1|1,0,0]=2 2491 B8R1.2 OCc1ccncc1 Amb2720348 [0,0,0,0,0,1|1,0,0]=2 2492 B8R1.2 OCc1ccncn1 Amb7101500 [0,0,0,0,0,1|1,0,0]=2 2493 B8R1.2 OCc1ccnnc1 Amb21856410 [0,0,0,0,0,1|2,0,0]=3 2494 B8R1.2 OCc1cnccn1 Amb2723066 [0,0,0,0,0,1|1,0,0]=2 2495 B8R1.2 OCc1cncnc1 Amb8397262 [0,0,0,0,0,1|2,0,0]=3 2496 B8R1.2 OCc1cnncn1 Amb28048979 [0,0,0,0,0,1|2,0,0]=3 2497 B8R1.2 OCc1ncccn1 Amb33531368 [0,0,0,0,0,1|1,0,0]=2 2498 B8R1.2 OCc1nncnn1 Amb28366015 [0,0,0,0,0,1|3,0,0]=4 2499 B8R1.2 ONc1ccccc1 Amb17672282 [0,0,0,0,0,1|2,0,0]=3 2500 B8R1.2 ONc1cccnn1 Amb27771477 [0,0,0,0,0,1|2,0,0]=3 2501 B8R1.2 ONc1ccncc1 Amb27829868 [0,0,0,0,0,1|2,0,0]=3 2502 B8R1.2 ONc1ncccn1 Amb2793974 [0,0,0,0,0,1|2,0,0]=3 2503 B8R1.2 O\N=C1/C=CCCC1 Amb28316146 [0,0,0,0,0,1|2,0,1]=4 2504 B8R1.2 SCC1=CCCOC1 Amb32788343 [0,0,0,0,0,1|0,1,2]=4 2505 B8R1.2 SCC1CCC=CO1 Amb32788204 [0,0,0,0,0,1|0,1,2]=4 2506 B8R1.2 SCc1ccccc1 Amb6608752 [0,0,0,0,0,1|1,1,0]=3 2507 B8R1.2 SCc1ccccn1 Amb33542790 [0,0,0,0,0,1|1,1,0]=3 2508 B8R1.2 SCc1cccnc1 Amb21984718 [0,0,0,0,0,1|1,1,0]=3 2509 B8R1.2 SCc1cccnn1 Amb27461545 [0,0,0,0,0,1|1,1,0]=3 2510 B8R1.2 SCc1ccncc1 Amb22008603 [0,0,0,0,0,1|1,1,0]=3 2511 B8R1.2 SCc1ccncn1 Amb24099658 [0,0,0,0,0,1|1,1,0]=3 2512 B8R1.2 SCc1cnccn1 Amb8392836 [0,0,0,0,0,1|1,1,0]=3 2513 B8R1.2 SCc1cncnc1 Amb24546720 [0,0,0,0,0,1|2,1,0]=4 2514 B8R1.2 SCc1ncccn1 Amb27837560 [0,0,0,0,0,1|1,1,0]=3 2515 B8R1.2 [C-]#[N+]c1ccccc1 Amb1107613 [0,0,0,0,0,1|3,0,0]=4 2516 B8R1.2 [C-]#[N+]c1ccccn1 Amb25840846 [0,0,0,0,0,1|3,0,0]=4 2517 B8R1.2 [C-]#[N+]c1cccnc1 Amb3973078 [0,0,0,0,0,1|3,0,0]=4 2518 B8R1.2 [C-]#[N+]c1ccncc1 Amb27805408 [0,0,0,0,0,1|3,0,0]=4 2519 B8R1.2 [C-]#[N+]c1ccncn1 Amb33269018 [0,0,0,0,0,1|3,0,0]=4 2520 B8R1.2 [C-]#[N+]c1cnccn1 Amb33359980 [0,0,0,0,0,1|3,0,0]=4 2521 B8R1.2 [C-]#[N+]c1ncccn1 Amb26441166 [0,0,0,0,0,1|3,0,0]=4 2522 B8R1.2 [Mg+]Cc1ccccc1 Amb22043988 [0,0,0,0,0,1|2,0,0]=3 2523 B8R1.2 [NH3+]Cc1ccccc1 Amb8488224 [0,0,0,0,0,1|2,0,0]=3 2524 B8R1.2 [SiH3]Cc1ccccc1 Amb22347052 [0,0,0,0,0,1|2,0,0]=3 2525 B5R0.1 C=C(C)CC=O Amb28202583 [1,0,1,0,0,0|2,0,0]=4 2526 B5R0.1 C=C(C)OCC Amb8393241 [1,0,1,0,0,0|0,0,2]=4 2527 B5R0.1 C=C=CB(O)O Amb26433525 [1,0,1,0,0,0|1,0,1]=4 2528 B5R0.1 C=CC=C(C)C Amb22229813 [1,0,1,0,0,0|1,0,0]=3 2529 B5R0.1 C=CCB(O)O Amb20240823 [1,0,1,0,0,0|1,0,1]=4 2530 B5R0.1 C=CCC(=C)C Amb22347764 [1,0,1,0,0,0|1,0,0]=3 2531 B5R0.1 C=CCC(=O)O Amb3940098 [1,0,1,0,0,0|0,0,2]=4 2532 B5R0.1 C=CCC(C)=O Amb8396482 [1,0,1,0,0,0|0,0,2]=4 2533 B5R0.1 C=CCC(C)O Amb33539328 [1,0,1,0,0,0|0,0,2]=4 2534 B5R0.1 C=CC[C@@H](C)O Amb22225370 [1,0,1,0,0,0|0,0,2]=4 2535 B5R0.1 C=CC[C@H](C)O Amb22226758 [1,0,1,0,0,0|0,0,2]=4 2536 B5R0.1 C=CNC(C)=O Amb24323579 [1,0,1,0,0,0|1,0,1]=4 2537 B5R0.1 C=COC(=O)Cl Amb8514993 [1,0,1,0,0,0|1,0,1]=4 2538 B5R0.1 C=COC(C)=O Amb8513382 [1,0,1,0,0,0|1,0,0]=3 2539 B5R0.1 C=COC(C)C Amb22230777 [1,0,1,0,0,0|0,0,2]=4 2540 B5R0.1 CC(=O)OC=O Amb25283525 [1,0,1,0,0,0|2,0,0]=4 2541 B5R0.1 CC(=O)\C=C/N Amb25147403 [1,0,1,0,0,0|1,0,1]=4 2542 B5R0.1 CC(=O)\C=C/[O-] Amb30876865 [1,0,1,0,0,0|1,0,1]=4 2543 B5R0.1 CC(=O)\C=C\Cl Amb17593099 [1,0,1,0,0,0|1,0,1]=4 2544 B5R0.1 CC(=O)\C=C\N Amb8395283 [1,0,1,0,0,0|1,0,1]=4 2545 B5R0.1 CC(=O)\C=C\[O-] Amb32644521 [1,0,1,0,0,0|1,0,1]=4 2546 B5R0.1 CC(C)=CC=O Amb8385061 [1,0,1,0,0,0|2,0,0]=4 2547 B5R0.1 C\C(Br)=C/C=O Amb27202112 [1,0,1,0,0,0|2,0,0]=4 2548 B5R0.1 C\C(Br)=C\C=O Amb27201671 [1,0,1,0,0,0|2,0,0]=4 2549 B5R0.1 C\C(N)=C/C=O Amb2612039 [1,0,1,0,0,0|2,0,0]=4 2550 B5R0.1 C\C(O)=C\CN Amb33294274 [1,0,1,0,0,0|1,0,1]=4 2551 B5R0.1 C\C=C/B(O)O Amb24547752 [1,0,1,0,0,0|1,0,1]=4 2552 B5R0.1 C\C=C/C(=O)O Amb27779315 [1,0,1,0,0,0|0,0,2]=4 2553 B5R0.1 C\C=C/C(C)=O Amb28351405 [1,0,1,0,0,0|0,0,2]=4 2554 B5R0.1 C\C=C\B(O)O Amb33964180 [1,0,1,0,0,0|1,0,1]=4 2555 B5R0.1 C\C=C\C(=O)O Amb8385856 [1,0,1,0,0,0|0,0,2]=4 2556 B5R0.1 C\C=C\C(C)=O Amb33941980 [1,0,1,0,0,0|0,0,2]=4 2557 B5R0.1 C\C=C\C(C)O Amb2721243 [1,0,1,0,0,0|0,0,2]=4 2558 B5R0.1 C\C=C\C(O)O Amb26001148 [1,0,1,0,0,0|0,0,2]=4 2559 B5R0.1 N\C=C\C(=O)O Amb27217920 [1,0,1,0,0,0|1,0,1]=4 2560 B5R0.1 O=C(O)\C=C/Br Amb18644453 [1,0,1,0,0,0|1,0,1]=4 2561 B5R0.1 O=C(O)\C=C/Cl Amb8513768 [1,0,1,0,0,0|1,0,1]=4 2562 B5R0.1 O=C(O)\C=C/I Amb28315824 [1,0,1,0,0,0|1,0,1]=4 2563 B5R0.1 O=C(O)\C=C\Br Amb27423608 [1,0,1,0,0,0|1,0,1]=4 2564 B5R0.1 O=C(O)\C=C\Cl Amb33986098 [1,0,1,0,0,0|1,0,1]=4 2565 B5R0.1 O=C(O)\C=C\I Amb30584673 [1,0,1,0,0,0|1,0,1]=4 2566 B5R0.1 O=C(O)\C=C\O Amb26055842 [1,0,1,0,0,0|1,0,1]=4 2567 B5R0.1 O=C(O)\C=C\S Amb28401590 [1,0,1,0,0,0|1,0,1]=4 2568 B5R0.1 OB(O)\C=C\Cl Amb25241162 [1,0,1,0,0,0|2,0,0]=4 2569 B5R0.1 OB(O)\C=C\F Amb27487063 [1,0,1,0,0,0|2,0,0]=4 2570 B5R0.2 C#C\C=C\CO Amb17670556 [1,0,1,0,0,0|0,0,2]=4 2571 B5R0.2 C=C=CCCO Amb17593020 [1,0,1,0,0,0|0,0,2]=4 2572 B5R0.2 C=CC#CCO Amb17593015 [1,0,1,0,0,0|0,0,2]=4 2573 B5R0.2 C=CCCCO Amb8513439 [1,0,1,0,0,0|0,0,2]=4 2574 B5R0.2 C=CCOC=C Amb17933943 [1,0,1,0,0,0|0,0,2]=4 2575 B5R0.2 C=CCOCBr Amb28384107 [1,0,1,0,0,0|1,0,1]=4 2576 B5R0.2 C=CCOCC Amb2684299 [1,0,1,0,0,0|0,0,2]=4 2577 B5R0.2 C=CCOCCl Amb28429831 [1,0,1,0,0,0|1,0,1]=4 2578 B5R0.2 C=CCONC Amb32411015 [1,0,1,0,0,0|1,0,1]=4 2579 B5R0.2 C=CC\C=C/C Amb26426294 [1,0,1,0,0,0|1,0,1]=4 2580 B5R0.2 C=COCCC Amb17940706 [1,0,1,0,0,0|1,0,1]=4 2581 B5R0.2 C=COCCI Amb28245341 [1,0,1,0,0,0|1,0,1]=4 2582 B5R0.2 C=COCCN Amb17593030 [1,0,1,0,0,0|1,0,1]=4 2583 B5R0.2 C=COCCN Amb32409664 [1,0,1,0,0,0|1,0,1]=4 2584 B5R0.2 C=COCCO Amb17674184 [1,0,1,0,0,0|0,0,1]=3 2585 B5R0.2 C=CSCCO Amb27607172 [1,0,1,0,0,0|0,1,1]=4 2586 B5R0.2 C=C\C=C\C#N Amb17593012 [1,0,1,0,0,0|1,0,1]=4 2587 B5R0.2 C=C\C=C\C=C Amb17939040 [1,0,1,0,0,0|1,0,1]=4 2588 B5R0.2 C=C\C=C\C=O Amb26369847 [1,0,1,0,0,0|0,0,2]=4 2589 B5R0.2 C=C\C=C\CBr Amb24350542 [1,0,1,0,0,0|1,0,0]=3 2590 B5R0.2 C=C\C=C\CC Amb8513434 [1,0,1,0,0,0|1,0,0]=3 2591 B5R0.2 C=C\C=C\CCl Amb24401492 [1,0,1,0,0,0|1,0,0]=3 2592 B5R0.2 C=C\C=C\CN Amb26011188 [1,0,1,0,0,0|1,0,0]=3 2593 B5R0.2 C=C\C=C\CN Amb32824809 [1,0,1,0,0,0|1,0,0]=3 2594 B5R0.2 CCO\C=C/Br Amb2455970 [1,0,1,0,0,0|1,0,1]=4 2595 B5R0.2 CCO\C=C/Cl Amb28315611 [1,0,1,0,0,0|1,0,1]=4 2596 B5R0.2 CCO\C=C\Br Amb10068669 [1,0,1,0,0,0|1,0,1]=4 2597 B5R0.2 CC\C=C/CO Amb10975881 [1,0,1,0,0,0|0,0,2]=4 2598 B5R0.2 CC\C=C\C=O Amb33986391 [1,0,1,0,0,0|0,0,2]=4 2599 B5R0.2 CC\C=C\CO Amb22347892 [1,0,1,0,0,0|0,0,2]=4 2600 B5R0.2 CN\C=C\C=O Amb24564349 [1,0,1,0,0,0|1,0,1]=4 2601 B5R0.2 CO\C=C/C=O Amb28049941 [1,0,1,0,0,0|1,0,1]=4 2602 B5R0.2 CO\C=C\C=O Amb26873964 [1,0,1,0,0,0|1,0,1]=4 2603 B5R0.2 C\C=C/C=C/C Amb26318493 [1,0,1,0,0,0|1,0,0]=3 2604 B5R0.2 C\C=C/CCO Amb19930204 [1,0,1,0,0,0|0,0,2]=4 2605 B5R0.2 C\C=C\C=C\Br Amb27791828 [1,0,1,0,0,0|1,0,0]=3 2606 B5R0.2 C\C=C\C=C\C Amb27622458 [1,0,1,0,0,0|1,0,0]=3 2607 B5R0.2 C\C=C\CC=O Amb26655030 [1,0,1,0,0,0|0,0,2]=4 2608 B5R0.2 C\C=C\CCO Amb24655557 [1,0,1,0,0,0|0,0,2]=4 2609 B5R0.2 C\C=C\OCC Amb8516635 [1,0,1,0,0,0|0,0,2]=4 2610 B5R0.2 NC\C=C\CO Amb33212383 [1,0,1,0,0,0|1,0,1]=4 2611 B5R0.2 NC\C=C\CO Amb33495152 [1,0,1,0,0,0|1,0,1]=4 2612 B5R0.2 O=COCCO Amb26625741 [1,0,1,0,0,0|1,0,1]=4 2613 B5R0.2 O=C\C=C/C=O Amb28146767 [1,0,1,0,0,0|0,0,2]=4 2614 B5R0.2 O=C\C=C\C=O Amb17593019 [1,0,1,0,0,0|0,0,2]=4 2615 B5R0.2 O=C\C=C\CCl Amb18122401 [1,0,1,0,0,0|1,0,1]=4 2616 B5R0.2 O=C\C=C\CF Amb33475269 [1,0,1,0,0,0|1,0,1]=4 2617 B5R0.2 O=C\C=C\CO Amb24356008 [1,0,1,0,0,0|0,0,1]=3 2618 B5R0.2 OCC=C=CCl Amb28137866 [1,0,1,0,0,0|1,0,1]=4 2619 B5R0.2 OCC\C=C\Br Amb27425005 [1,0,1,0,0,0|1,0,1]=4 2620 B5R0.2 OCC\C=C\Cl Amb27859286 [1,0,1,0,0,0|1,0,1]=4 2621 B5R0.2 OC\C=C/CO Amb8383639 [1,0,1,0,0,0|0,0,1]=3 2622 B5R0.2 OC\C=C\CBr Amb22054537 [1,0,1,0,0,0|1,0,1]=4 2623 B5R0.2 OC\C=C\CCl Amb17593109 [1,0,1,0,0,0|1,0,1]=4 2624 B5R0.2 OC\C=C\CF Amb33379282 [1,0,1,0,0,0|1,0,1]=4 2625 B5R0.2 OC\C=C\CO Amb22733427 [1,0,1,0,0,0|0,0,1]=3 2626 B5R0.2 OC\C=C\CO Amb6609016 [1,0,1,0,0,0|0,0,1]=3 2627 B5R0.2 O\C=C\C=N\O Amb27831482 [1,0,1,0,0,0|1,0,0]=3 2628 B5R0.2 O\N=C\C=N\O Amb9786167 [1,0,1,0,0,0|2,0,0]=4 2629 B5R0.3 C#CC(=C)CO Amb24589005 [1,0,1,0,0,0|0,0,2]=4 2630 B5R0.3 C=C(C#N)CO Amb25146652 [1,0,1,0,0,0|1,0,1]=4 2631 B5R0.3 C=C(C=O)CC Amb17940102 [1,0,1,0,0,0|2,0,0]=4 2632 B5R0.3 C=C(CBr)OC Amb25177183 [1,0,1,0,0,0|1,0,1]=4 2633 B5R0.3 C=C(CC)CO Amb33549724 [1,0,1,0,0,0|0,0,2]=4 2634 B5R0.3 C=C(CN)CO Amb26960439 [1,0,1,0,0,0|1,0,1]=4 2635 B5R0.3 C=C(CO)CBr Amb25662398 [1,0,1,0,0,0|1,0,1]=4 2636 B5R0.3 C=C(CO)CI Amb28119833 [1,0,1,0,0,0|1,0,1]=4 2637 B5R0.3 C=C(CO)CO Amb8515382 [1,0,1,0,0,0|1,0,1]=4 2638 B5R0.3 C=C(CO)N=O Amb27481276 [1,0,1,0,0,0|2,0,0]=4 2639 B5R0.3 C=C=C(C)C=O Amb28049865 [1,0,1,0,0,0|2,0,0]=4 2640 B5R0.3 C=CC(=C)CBr Amb24451750 [1,0,1,0,0,0|1,0,0]=3 2641 B5R0.3 C=CC(=C)CC Amb28141349 [1,0,1,0,0,0|1,0,0]=3 2642 B5R0.3 C=CC(=C)OC Amb28145100 [1,0,1,0,0,0|0,0,2]=4 2643 B5R0.3 C=CC(=O)C=C Amb22265893 [1,0,1,0,0,0|1,0,1]=4 2644 B5R0.3 C=CC(=O)CBr Amb10602446 [1,0,1,0,0,0|1,0,1]=4 2645 B5R0.3 C=CC(=O)CC Amb3940490 [1,0,1,0,0,0|1,0,1]=4 2646 B5R0.3 C=CC(=O)CCl Amb27211112 [1,0,1,0,0,0|1,0,1]=4 2647 B5R0.3 C=CC(=O)CO Amb28074769 [1,0,1,0,0,0|0,0,1]=3 2648 B5R0.3 C=CC(=O)NO Amb28049735 [1,0,1,0,0,0|1,0,1]=4 2649 B5R0.3 C=CC(=O)OC Amb22351400 [1,0,1,0,0,0|0,0,2]=4 2650 B5R0.3 C=CC(=O)OC Amb2793072 [1,0,1,0,0,0|0,0,2]=4 2651 B5R0.3 C=CC(=O)O[Na] Amb22336198 [1,0,1,0,0,0|1,0,1]=4 2652 B5R0.3 C=CC(Br)CO Amb25888060 [1,0,1,0,0,0|1,0,1]=4 2653 B5R0.3 C=CC(C)C=C Amb22337672 [1,0,1,0,0,0|1,0,1]=4 2654 B5R0.3 C=CC(C)CO Amb22347861 [1,0,1,0,0,0|0,0,2]=4 2655 B5R0.3 C=CC(C)ON Amb22896392 [1,0,1,0,0,0|1,0,1]=4 2656 B5R0.3 C=CC(C)ON Amb25146282 [1,0,1,0,0,0|1,0,1]=4 2657 B5R0.3 C=CC(Cl)CO Amb26946125 [1,0,1,0,0,0|1,0,1]=4 2658 B5R0.3 C=CC(I)CO Amb28291610 [1,0,1,0,0,0|1,0,1]=4 2659 B5R0.3 C=CC(N)CO Amb19374935 [1,0,1,0,0,0|1,0,1]=4 2660 B5R0.3 C=CC(N)CO Amb28555332 [1,0,1,0,0,0|1,0,1]=4 2661 B5R0.3 C=CC(O)C=C Amb8383420 [1,0,1,0,0,0|1,0,1]=4 2662 B5R0.3 C=CC(O)CBr Amb10808128 [1,0,1,0,0,0|1,0,1]=4 2663 B5R0.3 C=CC(O)CC Amb3940382 [1,0,1,0,0,0|1,0,1]=4 2664 B5R0.3 C=CC(O)CCl Amb17593108 [1,0,1,0,0,0|1,0,1]=4 2665 B5R0.3 C=CC(O)CF Amb33376917 [1,0,1,0,0,0|1,0,1]=4 2666 B5R0.3 C=CC(O)CN Amb8630112 [1,0,1,0,0,0|1,0,1]=4 2667 B5R0.3 C=CC(O)CO Amb17610151 [1,0,1,0,0,0|0,0,1]=3 2668 B5R0.3 C=CC(S)CO Amb27960052 [1,0,1,0,0,0|0,1,1]=4 2669 B5R0.3 C=C[C@@H](N)CO Amb19886656 [1,0,1,0,0,0|1,0,1]=4 2670 B5R0.3 C=C[C@@H](N)CO Amb27247092 [1,0,1,0,0,0|1,0,1]=4 2671 B5R0.3 C=C[C@@H](O)CC Amb27813799 [1,0,1,0,0,0|1,0,1]=4 2672 B5R0.3 C=C[C@@H](O)CN Amb27837717 [1,0,1,0,0,0|1,0,1]=4 2673 B5R0.3 C=C[C@H](C)CO Amb27470174 [1,0,1,0,0,0|0,0,2]=4 2674 B5R0.3 C=C[C@H](N)CO Amb25147462 [1,0,1,0,0,0|1,0,1]=4 2675 B5R0.3 C=C[C@H](N)CO Amb8631419 [1,0,1,0,0,0|1,0,1]=4 2676 B5R0.3 C=C[C@H](O)CO Amb19888350 [1,0,1,0,0,0|0,0,1]=3 2677 B5R0.3 C=C\C(C)=C/Br Amb27420834 [1,0,1,0,0,0|2,0,0]=4 2678 B5R0.3 C=C\C(C)=C\N Amb27488688 [1,0,1,0,0,0|2,0,0]=4 2679 B5R0.3 COC(=O)CO Amb2778433 [1,0,1,0,0,0|1,0,1]=4 2680 B5R0.3 CO\C(C)=C\I Amb27863468 [1,0,1,0,0,0|1,0,1]=4 2681 B5R0.3 C\C(=C/Br)CO Amb4014500 [1,0,1,0,0,0|1,0,1]=4 2682 B5R0.3 C\C=C(/C)CO Amb26998405 [1,0,1,0,0,0|0,0,2]=4 2683 B5R0.3 C\C=C(/F)CO Amb22546797 [1,0,1,0,0,0|1,0,1]=4 2684 B5R0.3 C\C=C(\Br)CO Amb25809972 [1,0,1,0,0,0|1,0,1]=4 2685 B5R0.3 C\C=C(\C)CO Amb26581579 [1,0,1,0,0,0|0,0,2]=4 2686 B5R0.3 C\C=C(\F)CO Amb28384940 [1,0,1,0,0,0|1,0,1]=4 2687 B5R0.3 O=CC(=O)CO Amb17593031 [1,0,1,0,0,0|1,0,1]=4 2688 B5R0.3 O=CC(O)CO Amb3940759 [1,0,1,0,0,0|1,0,1]=4 2689 B5R0.3 O=C[C@@H](O)CO Amb16232009 [1,0,1,0,0,0|1,0,1]=4 2690 B5R0.3 O=C[C@H](O)CO Amb20242417 [1,0,1,0,0,0|1,0,1]=4 2691 B5R0.3 O=C\C(O)=C\O Amb27863726 [1,0,1,0,0,0|1,0,1]=4 2692 B5R0.3 OC\C(Br)=C\Br Amb22348400 [1,0,1,0,0,0|2,0,0]=4 2693 B5R0.3 OC\C(F)=C\F Amb27662411 [1,0,1,0,0,0|2,0,0]=4 2694 B5R1.1 C1=CCOC1 Amb7809243 [2,0,0,0,0,0|0,0,2]=4 2695 B5R1.1 C1=COCC1 Amb6609005 [2,0,0,0,0,0|0,0,2]=4 2696 B5R1.1 C1=COCN1 Amb20242493 [2,0,0,0,0,0|1,0,1]=4 2697 B5R1.1 C1=C[CH-]C=C1 Amb8517522 [2,0,0,0,0,0|1,0,0]=3 2698 B5R1.1 [C-]1=CC=CC1 Amb22231445 [2,0,0,0,0,0|1,0,1]=4 2699 B5R1.1 c1ccoc1 Amb6608834 [2,0,0,0,0,0|0,0,0]=2 2700 B5R1.1 c1ccsc1 Amb2694672 [2,0,0,0,0,0|0,1,0]=3 2701 B5R1.1 c1cnoc1 Amb2694985 [2,0,0,0,0,0|1,0,0]=3 2702 B5R1.1 c1cnon1 Amb25024407 [2,0,0,0,0,0|2,0,0]=4 2703 B5R1.1 c1cnsc1 Amb1090456 [2,0,0,0,0,0|1,1,0]=4 2704 B5R1.1 c1cocn1 Amb2608869 [2,0,0,0,0,0|1,0,0]=3 2705 B5R1.1 c1cscn1 Amb2690588 [2,0,0,0,0,0|1,1,0]=4 2706 B5R1.1 c1nnco1 Amb10552366 [2,0,0,0,0,0|2,0,0]=4 2707 B7R0.2 C=C(Br)CC(O)CO Amb27206509 [0,1,1,0,0,0|0,0,2]=4 2708 B7R0.2 C=C(C)CC(=C)CO Amb28128382 [0,1,1,0,0,0|1,0,0]=3 2709 B7R0.2 C=C(C)\C=C(\C)CCl Amb27962969 [0,1,1,0,0,0|2,0,0]=4 2710 B7R0.2 C=C(C)\C=C(\C)CO Amb27972292 [0,1,1,0,0,0|1,0,0]=3 2711 B7R0.2 C=C(CC)OC(C)=O Amb25202254 [0,1,1,0,0,0|1,0,1]=4 2712 B7R0.2 C=C(Cl)C[C@H](O)CO Amb24560451 [0,1,1,0,0,0|0,0,2]=4 2713 B7R0.2 CC(=O)\C=C(/C)CO Amb25240045 [0,1,1,0,0,0|1,0,1]=4 2714 B7R0.2 CC(=O)\C=C(/N)CO Amb27839108 [0,1,1,0,0,0|1,0,1]=4 2715 B7R0.2 CC(=O)\C=C(/O)CCl Amb27768762 [0,1,1,0,0,0|1,0,1]=4 2716 B7R0.2 CC(=O)\C=C(\C)CO Amb24518297 [0,1,1,0,0,0|1,0,1]=4 2717 B7R0.2 CC(=O)\C=C(\O)CCl Amb27259051 [0,1,1,0,0,0|1,0,1]=4 2718 B7R0.2 CC(C)=CC(=O)CO Amb28048944 [0,1,1,0,0,0|0,0,2]=4 2719 B7R0.2 CC\C(O)=C\C(=O)O Amb27837122 [0,1,1,0,0,0|2,0,0]=4 2720 B7R0.2 C\C(=C/C(=O)O)CO Amb18641871 [0,1,1,0,0,0|2,0,0]=4 2721 B7R0.2 N=C(Br)\C=C(/O)CBr Amb28347988 [0,1,1,0,0,0|2,0,0]=4 2722 B7R0.2 O=C(O)\C=C(/Br)CO Amb27424808 [0,1,1,0,0,0|2,0,0]=4 2723 B7R0.2 O=C(O)\C=C(\O)CBr Amb28458506 [0,1,1,0,0,0|2,0,0]=4 2724 B7R0.3 C=CCCC(O)CO Amb10071251 [0,1,1,0,0,0|0,0,2]=4 2725 B7R0.3 C=CCC[C@@H](O)CO Amb27405919 [0,1,1,0,0,0|0,0,2]=4 2726 B7R0.3 C=CCNC(=O)CO Amb33531863 [0,1,1,0,0,0|0,0,2]=4 2727 B7R0.3 C=CCOC(=O)CC Amb22050537 [0,1,1,0,0,0|2,0,0]=4 2728 B7R0.3 C=CCOC(=O)CCl Amb8515844 [0,1,1,0,0,0|2,0,0]=4 2729 B7R0.3 C=CCOC(=O)CI Amb26593247 [0,1,1,0,0,0|2,0,0]=4 2730 B7R0.3 C=CCOC(=O)CN Amb18641828 [0,1,1,0,0,0|2,0,0]=4 2731 B7R0.3 C=CCOC(=O)CN Amb33734248 [0,1,1,0,0,0|2,0,0]=4 2732 B7R0.3 C=CCOC(=O)CS Amb27815024 [0,1,1,0,0,0|1,1,0]=4 2733 B7R0.3 C=CCOC(=S)CC Amb22168285 [0,1,1,0,0,0|2,0,0]=4 2734 B7R0.3 C=CCO[C@@H](C)CO Amb25228448 [0,1,1,0,0,0|0,0,2]=4 2735 B7R0.3 C=CC\C=C(/C)CC Amb24694420 [0,1,1,0,0,0|2,0,0]=4 2736 B7R0.3 C=CC\C=C(/Cl)CO Amb27806456 [0,1,1,0,0,0|1,0,0]=3 2737 B7R0.3 C=CC\C=C(\C)CN Amb28369166 [0,1,1,0,0,0|2,0,0]=4 2738 B7R0.3 C=COCC(O)CO Amb28321386 [0,1,1,0,0,0|0,0,2]=4 2739 B7R0.3 C=C\C=C\C(O)CO Amb28074781 [0,1,1,0,0,0|0,0,1]=3 2740 B7R0.3 CCC(=O)\C=C\C=O Amb18641682 [0,1,1,0,0,0|1,0,1]=4 2741 B7R0.3 CCC(O)\C=C\C=O Amb16233610 [0,1,1,0,0,0|1,0,1]=4 2742 B7R0.3 CC[C@H](O)\C=C\C=O Amb28070938 [0,1,1,0,0,0|1,0,1]=4 2743 B7R0.3 CC\C=C\C(O)CO Amb32953425 [0,1,1,0,0,0|0,0,2]=4 2744 B7R0.3 C\C=C\CC(O)CO Amb27761815 [0,1,1,0,0,0|0,0,2]=4 2745 B7R0.3 C\C=C\C[C@@H](O)CO Amb27981099 [0,1,1,0,0,0|0,0,2]=4 2746 B7R0.3 C\C=C\C[C@H](O)CO Amb27452087 [0,1,1,0,0,0|0,0,2]=4 2747 B7R0.3 C\C=C\OC(=O)CCl Amb8387724 [0,1,1,0,0,0|2,0,0]=4 2748 B7R0.3 O=C(CCl)O\C=C/Cl Amb27453620 [0,1,1,0,0,0|2,0,0]=4 2749 B7R0.3 O=C(CCl)O\C=C\Cl Amb27204913 [0,1,1,0,0,0|2,0,0]=4 2750 B7R0.3 O=C\C=C\C(=O)CO Amb24574003 [0,1,1,0,0,0|0,0,1]=3 2751 B7R0.3 O=C\C=C\[C@H](O)CO Amb28208342 [0,1,1,0,0,0|0,0,1]=3 2752 B7R0.3 OCC(O)C\C=C\Br Amb27255231 [0,1,1,0,0,0|0,0,2]=4 2753 B7R0.5 C=C=CC(O)C(C)O Amb27659570 [0,1,1,0,0,0|0,0,2]=4 2754 B7R0.5 C=CCC(=C)C(=O)O Amb18641687 [0,1,1,0,0,0|1,0,1]=4 2755 B7R0.5 C=CC[C@H](O)[C@H](C)O Amb28366034 [0,1,1,0,0,0|0,0,2]=4 2756 B7R0.5 C=CNC(=O)C(C)O Amb27872694 [0,1,1,0,0,0|1,0,1]=4 2757 B7R0.5 C=COC(=O)C(C)C Amb26422505 [0,1,1,0,0,0|2,0,0]=4 2758 B7R0.5 C=COC(=O)C(C)O Amb17593197 [0,1,1,0,0,0|1,0,0]=3 2759 B7R0.5 C=COC(=O)C(Cl)Cl Amb28325682 [0,1,1,0,0,0|2,0,0]=4 2760 B7R0.5 C=COC(C)C(C)O Amb27405290 [0,1,1,0,0,0|0,0,2]=4 2761 B7R0.5 C=C\C=C(/C)C(C)N Amb28456278 [0,1,1,0,0,0|2,0,0]=4 2762 B7R0.5 C=C\C=C(/Cl)C(=O)O Amb18642910 [0,1,1,0,0,0|1,0,1]=4 2763 B7R0.5 C=C\C=C(\C)C(=O)O Amb27221069 [0,1,1,0,0,0|1,0,1]=4 2764 B7R0.5 C\C=C\C(O)C(C)O Amb28429731 [0,1,1,0,0,0|0,0,2]=4 2765 B7R0.7 C=CCC(=O)COC Amb27168366 [0,1,1,0,0,0|0,0,2]=4 2766 B7R0.7 C=CCC(=O)OC=C Amb27242220 [0,1,1,0,0,0|2,0,0]=4 2767 B7R0.7 C=COC(=O)CCCl Amb28347432 [0,1,1,0,0,0|2,0,0]=4 2768 B7R0.7 C=COC(=O)CCI Amb17934195 [0,1,1,0,0,0|2,0,0]=4 2769 B7R0.7 C=C\C=C(/C)CCC Amb24577361 [0,1,1,0,0,0|2,0,0]=4 2770 B7R0.7 CC(\C=C\Cl)=C/CO Amb27659253 [0,1,1,0,0,0|2,0,0]=4 2771 B7R0.7 COCC(O)\C=C/Cl Amb27165704 [0,1,1,0,0,0|1,0,1]=4 2772 B7R0.7 COC\C(C)=C\C=O Amb28287378 [0,1,1,0,0,0|2,0,0]=4 2773 B7R0.7 C\C=C\C(=O)COC Amb28315679 [0,1,1,0,0,0|0,0,2]=4 2774 B7R0.7 C\C=C\C(O)CCO Amb3354799 [0,1,1,0,0,0|0,0,2]=4 2775 B7R0.7 C\C=C\[C@H](O)CCO Amb27164439 [0,1,1,0,0,0|0,0,2]=4 2776 B7R0.10 C=C(CO)\C(C)=C/C Amb28065375 [0,1,1,0,0,0|1,0,1]=4 2777 B7R0.10 C=CC(=C)C(O)CC Amb27397155 [0,1,1,0,0,0|1,0,1]=4 2778 B7R0.10 C=CC(F)C(O)CO Amb28185130 [0,1,1,0,0,0|0,0,2]=4 2779 B7R0.10 C=C[C@@H](O)[C@@H](O)CO Amb26498961 [0,1,1,0,0,0|0,0,2]=4 2780 B7R0.10 C=C[C@H](O)[C@H](O)CO Amb27665226 [0,1,1,0,0,0|0,0,2]=4 2781 B7R0.10 CC\C(O)=C(/Br)C=O Amb28133175 [0,1,1,0,0,0|2,0,0]=4 2782 B7R0.10 C\C(=C/O)C(O)CO Amb27441465 [0,1,1,0,0,0|1,0,1]=4 2783 B7R0.10 O=CC(=O)[C@@H](O)CO Amb28247115 [0,1,1,0,0,0|1,0,1]=4 2784 B7R0.10 O=CC(=O)[C@H](O)CO Amb27210862 [0,1,1,0,0,0|1,0,1]=4 2785 B7R0.11 C\C=C\C(C)(O)CO Amb27978012 [0,1,1,0,0,0|0,0,2]=4 2786 B7R0.11 C\C=C\[C@@](C)(O)CO Amb28401083 [0,1,1,0,0,0|0,0,2]=4 2787 B7R0.12 C=CCP(CO)CO Amb27169895 [0,1,1,0,0,0|1,0,1]=4 2788 B7R0.12 C=CC[C@@H](C=C)CO Amb28053913 [0,1,1,0,0,0|1,0,1]=4 2789 B7R0.12 C=C\C=C(/CO)OC Amb28345020 [0,1,1,0,0,0|0,0,0]=2 2790 B7R0.12 C=C\C=C(\CC)CBr Amb27984917 [0,1,1,0,0,0|2,0,0]=4 2791 B7R0.1 BrC\C=C\C=C\CBr Amb28286695 [0,1,1,0,0,0|2,0,0]=4 2792 B7R0.1 C#C\C=C\C=C\CBr Amb27845447 [0,1,1,0,0,0|2,0,0]=4 2793 B7R0.1 C#C\C=C\C=C\CO Amb28065184 [0,1,1,0,0,0|1,0,0]=3 2794 B7R0.1 C=CCCOCCO Amb26613595 [0,1,1,0,0,0|0,0,2]=4 2795 B7R0.1 C=CCC\C=C\CO Amb27406831 [0,1,1,0,0,0|1,0,1]=4 2796 B7R0.1 C=CCOCCCO Amb25097051 [0,1,1,0,0,0|0,0,2]=4 2797 B7R0.1 C=C\C=C\C=C\CBr Amb27659022 [0,1,1,0,0,0|2,0,0]=4 2798 B7R0.1 CC=C=C\C=C\CO Amb27853778 [0,1,1,0,0,0|1,0,0]=3 2799 B7R0.1 CCC\C=C\C=C\Cl Amb27657659 [0,1,1,0,0,0|2,0,0]=4 2800 B7R0.1 CCO\C=C\C=C/Br Amb27858991 [0,1,1,0,0,0|2,0,0]=4 2801 B7R0.1 CCO\C=C\C=C\Br Amb28138073 [0,1,1,0,0,0|2,0,0]=4 2802 B7R0.1 CC\C=C\C=C\C=O Amb8392847 [0,1,1,0,0,0|1,0,1]=4 2803 B7R0.1 CC\C=C\C=C\CN Amb33267973 [0,1,1,0,0,0|2,0,0]=4 2804 B7R0.1 CC\C=C\C=C\CO Amb32953372 [0,1,1,0,0,0|1,0,0]=3 2805 B7R0.1 COCC\C=C\C=O Amb33377482 [0,1,1,0,0,0|0,0,2]=4 2806 B7R0.1 COCC\C=C\CO Amb32954125 [0,1,1,0,0,0|0,0,2]=4 2807 B7R0.1 C\C=C\C=C\CCBr Amb28201639 [0,1,1,0,0,0|2,0,0]=4 2808 B7R0.1 C\C=C\C=C\CCC Amb27493119 [0,1,1,0,0,0|2,0,0]=4 2809 B7R0.1 C\C=C\C=C\CCN Amb28245294 [0,1,1,0,0,0|2,0,0]=4 2810 B7R0.1 C\C=C\C=C\CCO Amb27459750 [0,1,1,0,0,0|1,0,0]=3 2811 B7R0.1 C\C=C\C\C=C\CBr Amb28051944 [0,1,1,0,0,0|2,0,0]=4 2812 B7R0.1 ClC=C=C\C=C\CCl Amb27962629 [0,1,1,0,0,0|2,0,0]=4 2813 B7R0.1 ClC\C=C\C=C\CCl Amb27818096 [0,1,1,0,0,0|2,0,0]=4 2814 B7R0.1 O=CC\C=C\C=C\Br Amb27222551 [0,1,1,0,0,0|1,0,1]=4 2815 B7R0.1 O=C\C=C\C=C\CCl Amb28292786 [0,1,1,0,0,0|1,0,1]=4 2816 B7R0.1 O=C\C=C\C=C\CO Amb27424442 [0,1,1,0,0,0|0,0,1]=3 2817 B7R0.1 OCC\C=C\CCO Amb17614949 [0,1,1,0,0,0|0,0,2]=4 2818 B7R0.1 OC\C=C/C=C\CO Amb26515771 [0,1,1,0,0,0|0,0,0]=2 2819 B7R0.1 OC\C=C\C=C\CO Amb33328625 [0,1,1,0,0,0|0,0,0]=2 2820 B7R0.1 OC\C=C\CCCO Amb27205649 [0,1,1,0,0,0|0,0,2]=4 2821 B7R0.1 O\C=C\C=C\CCO Amb27605420 [0,1,1,0,0,0|0,0,0]=2 2822 B7R0.4 C=C(Br)COCCO Amb28453509 [0,1,1,0,0,0|0,0,2]=4 2823 B7R0.4 C=C(Br)C\C=C\CO Amb27481048 [0,1,1,0,0,0|1,0,1]=4 2824 B7R0.4 C=C(C)COCCO Amb27452088 [0,1,1,0,0,0|0,0,2]=4 2825 B7R0.4 C=C(C)C\C=C\CO Amb27181043 [0,1,1,0,0,0|1,0,1]=4 2826 B7R0.4 C=CCOCC(C)O Amb22733640 [0,1,1,0,0,0|0,0,2]=4 2827 B7R0.4 C=CCOC[C@@H](C)O Amb27780603 [0,1,1,0,0,0|0,0,2]=4 2828 B7R0.4 C=C\C=C\C[C@@H](C)O Amb27946739 [0,1,1,0,0,0|1,0,1]=4 2829 B7R0.4 CC(=O)C=C=CCO Amb28284681 [0,1,1,0,0,0|0,0,2]=4 2830 B7R0.4 CC(=O)\C=C\CCO Amb26479998 [0,1,1,0,0,0|0,0,2]=4 2831 B7R0.4 CC(C)=COCCO Amb27662198 [0,1,1,0,0,0|0,0,2]=4 2832 B7R0.4 CC(C)=C\C=C\CCl Amb27778733 [0,1,1,0,0,0|2,0,0]=4 2833 B7R0.4 CC(C)=C\C=C\CO Amb28400370 [0,1,1,0,0,0|1,0,0]=3 2834 B7R0.4 CC(O)C\C=C\CO Amb27432058 [0,1,1,0,0,0|0,0,2]=4 2835 B7R0.4 CC(O)\C=C\C=C\Cl Amb27454846 [0,1,1,0,0,0|1,0,0]=3 2836 B7R0.4 CC(O)\C=C\CCO Amb28138579 [0,1,1,0,0,0|0,0,2]=4 2837 B7R0.4 CCC\C=C\C(=O)O Amb2688715 [0,1,1,0,0,0|1,0,1]=4 2838 B7R0.4 CCO\C=C\C(=O)O Amb2725260 [0,1,1,0,0,0|2,0,0]=4 2839 B7R0.4 CC\C=C/CC(=O)O Amb2720526 [0,1,1,0,0,0|1,0,1]=4 2840 B7R0.4 CC\C=C\CC(=O)O Amb3940332 [0,1,1,0,0,0|1,0,1]=4 2841 B7R0.4 C[C@H](O)C\C=C\CO Amb27945050 [0,1,1,0,0,0|0,0,2]=4 2842 B7R0.4 C\C(Cl)=C\C=C\CCl Amb27849935 [0,1,1,0,0,0|2,0,0]=4 2843 B7R0.4 C\C=C\C=C/C(C)O Amb22342426 [0,1,1,0,0,0|1,0,0]=3 2844 B7R0.4 C\C=C\C=C\C(=O)O Amb17784698 [0,1,1,0,0,0|1,0,1]=4 2845 B7R0.4 C\C=C\C=C\C(C)O Amb27843477 [0,1,1,0,0,0|1,0,0]=3 2846 B7R0.4 C\C=C\C=C\[C@@H](C)O Amb27223068 [0,1,1,0,0,0|1,0,0]=3 2847 B7R0.4 NCC\C=C/C(=O)O Amb27201417 [0,1,1,0,0,0|1,0,1]=4 2848 B7R0.4 O=C(O)C\C=C/CS Amb18124361 [0,1,1,0,0,0|0,1,1]=4 2849 B7R0.4 O=C(O)C\C=C\CO Amb28429811 [0,1,1,0,0,0|0,0,1]=3 2850 B7R0.4 O=C(O)C\C=C\CS Amb24693621 [0,1,1,0,0,0|0,1,1]=4 2851 B7R0.4 O=C(O)\C=C/C=N/O Amb27449866 [0,1,1,0,0,0|1,0,0]=3 2852 B7R0.4 O=C(O)\C=C\C=C\Cl Amb28189602 [0,1,1,0,0,0|1,0,1]=4 2853 B7R0.4 O=C(O)\C=C\CCBr Amb25702661 [0,1,1,0,0,0|1,0,1]=4 2854 B7R0.4 O=C(O)\C=C\CCF Amb33196445 [0,1,1,0,0,0|1,0,1]=4 2855 B7R0.4 OCC\C=C\B(O)O Amb26996240 [0,1,1,0,0,0|1,0,1]=4 2856 B7R0.15 C=C=C(OC)C(C)O Amb17593188 [0,1,1,0,0,0|0,0,2]=4 2857 B7R0.15 C=C[C@H](OC)[C@H](C)O Amb27198025 [0,1,1,0,0,0|0,0,2]=4 2858 B7R0.18 C=CC(C)(CO)OC Amb8388801 [0,1,1,0,0,0|0,0,2]=4 2859 B7R1.2 Brc1cc(I)cs1 Amb27963171 [1,1,0,0,0,0|1,1,0]=4 2860 B7R1.2 Brc1ccc(Br)o1 Amb19651339 [1,1,0,0,0,0|1,0,0]=3 2861 B7R1.2 Brc1ccc(Br)s1 Amb2447247 [1,1,0,0,0,0|1,1,0]=4 2862 B7R1.2 Brc1ccc(I)s1 Amb5720292 [1,1,0,0,0,0|1,1,0]=4 2863 B7R1.2 Brc1cnc(Br)o1 Amb27844511 [1,1,0,0,0,0|2,0,0]=4 2864 B7R1.2 Brc1cnc(I)o1 Amb27219795 [1,1,0,0,0,0|2,0,0]=4 2865 B7R1.2 Brc1csc(Br)c1 Amb2723434 [1,1,0,0,0,0|1,1,0]=4 2866 B7R1.2 Brc1csc(I)c1 Amb24320667 [1,1,0,0,0,0|1,1,0]=4 2867 B7R1.2 CC1=CC(=N)NN1 Amb19866695 [1,1,0,0,0,0|2,0,0]=4 2868 B7R1.2 CC1=CC(=N)NO1 Amb22330538 [1,1,0,0,0,0|1,0,0]=3 2869 B7R1.2 CC1=CC(=O)CC1 Amb6608696 [1,1,0,0,0,0|1,0,1]=4 2870 B7R1.2 CC1=CC(=O)CN1 Amb27390872 [1,1,0,0,0,0|1,0,1]=4 2871 B7R1.2 CC1=CC(=O)CO1 Amb22372192 [1,1,0,0,0,0|0,0,1]=3 2872 B7R1.2 CC1=CC(=O)NC1 Amb24479892 [1,1,0,0,0,0|2,0,0]=4 2873 B7R1.2 CC1=CC(=O)NN1 Amb19770794 [1,1,0,0,0,0|2,0,0]=4 2874 B7R1.2 CC1=CC(=O)NO1 Amb19338707 [1,1,0,0,0,0|1,0,0]=3 2875 B7R1.2 CC1=CC(=O)OC1 Amb22002703 [1,1,0,0,0,0|0,0,2]=4 2876 B7R1.2 CC1=CCC(O)O1 Amb27241898 [1,1,0,0,0,0|0,0,2]=4 2877 B7R1.2 CC1=CNC(=O)N1 Amb20667076 [1,1,0,0,0,0|2,0,0]=4 2878 B7R1.2 CC1=COC(=N)N1 Amb20637145 [1,1,0,0,0,0|2,0,0]=4 2879 B7R1.2 CC1=COC(=O)C1 Amb27624758 [1,1,0,0,0,0|0,0,2]=4 2880 B7R1.2 CC1=COC(=O)N1 Amb27185570 [1,1,0,0,0,0|1,0,1]=4 2881 B7R1.2 CC1=CSC(=N)N1 Amb22166852 [1,1,0,0,0,0|2,0,0]=4 2882 B7R1.2 CC1=CSC(=O)N1 Amb19372452 [1,1,0,0,0,0|2,0,0]=4 2883 B7R1.2 CC1=CSC(=S)N1 Amb22732376 [1,1,0,0,0,0|2,0,0]=4 2884 B7R1.2 CC1=NC(C)C=C1 Amb27442121 [1,1,0,0,0,0|1,0,1]=4 2885 B7R1.2 CC1=NCC(=O)O1 Amb27783804 [1,1,0,0,0,0|1,0,1]=4 2886 B7R1.2 CC1=NNC(=O)O1 Amb19957998 [1,1,0,0,0,0|2,0,0]=4 2887 B7R1.2 CC1=NNC(=S)O1 Amb19200119 [1,1,0,0,0,0|2,0,0]=4 2888 B7R1.2 CC1=NSC(=O)O1 Amb22395221 [1,1,0,0,0,0|2,0,0]=4 2889 B7R1.2 CC1C=CC(=O)C1 Amb27260718 [1,1,0,0,0,0|1,0,1]=4 2890 B7R1.2 CC1C=CC(=O)O1 Amb24053964 [1,1,0,0,0,0|0,0,1]=3 2891 B7R1.2 CC1C=CC(=O)S1 Amb25746305 [1,1,0,0,0,0|0,1,1]=4 2892 B7R1.2 CN1C=C(O)ON1 Amb27256987 [1,1,0,0,0,0|2,0,0]=4 2893 B7R1.2 CN1C=CC(=O)C1 Amb28201569 [1,1,0,0,0,0|2,0,0]=4 2894 B7R1.2 C[C@@H]1C=CC(=O)C1 Amb28199837 [1,1,0,0,0,0|1,0,1]=4 2895 B7R1.2 C[C@H]1C=CC(=O)C1 Amb27262978 [1,1,0,0,0,0|1,0,1]=4 2896 B7R1.2 Cc1cc(Br)co1 Amb18828030 [1,1,0,0,0,0|0,0,0]=2 2897 B7R1.2 Cc1cc(Br)cs1 Amb2685344 [1,1,0,0,0,0|0,1,0]=3 2898 B7R1.2 Cc1cc(Br)no1 Amb10603673 [1,1,0,0,0,0|1,0,0]=3 2899 B7R1.2 Cc1cc(Br)on1 Amb18190948 [1,1,0,0,0,0|2,0,0]=4 2900 B7R1.2 Cc1cc(Br)sn1 Amb18824941 [1,1,0,0,0,0|2,0,0]=4 2901 B7R1.2 Cc1cc(C)on1 Amb17685548 [1,1,0,0,0,0|1,0,0]=3 2902 B7R1.2 Cc1cc(C)sn1 Amb28399568 [1,1,0,0,0,0|1,1,0]=4 2903 B7R1.2 Cc1cc(Cl)cs1 Amb8388001 [1,1,0,0,0,0|0,1,0]=3 2904 B7R1.2 Cc1cc(Cl)no1 Amb24524072 [1,1,0,0,0,0|1,0,0]=3 2905 B7R1.2 Cc1cc(Cl)ns1 Amb25888516 [1,1,0,0,0,0|1,1,0]=4 2906 B7R1.2 Cc1cc(Cl)on1 Amb26958526 [1,1,0,0,0,0|2,0,0]=4 2907 B7R1.2 Cc1cc(Cl)sn1 Amb22755952 [1,1,0,0,0,0|2,0,0]=4 2908 B7R1.2 Cc1cc(F)cs1 Amb27170659 [1,1,0,0,0,0|0,1,0]=3 2909 B7R1.2 Cc1cc(I)cs1 Amb27144872 [1,1,0,0,0,0|0,1,0]=3 2910 B7R1.2 Cc1cc(I)on1 Amb22754616 [1,1,0,0,0,0|2,0,0]=4 2911 B7R1.2 Cc1cc(I)sn1 Amb21927967 [1,1,0,0,0,0|2,0,0]=4 2912 B7R1.2 Cc1cc(N)cs1 Amb18833057 [1,1,0,0,0,0|0,1,0]=3 2913 B7R1.2 Cc1cc(N)cs1 Amb22276155 [1,1,0,0,0,0|0,1,0]=3 2914 B7R1.2 Cc1cc(N)no1 Amb532931 [1,1,0,0,0,0|1,0,0]=3 2915 B7R1.2 Cc1cc(N)ns1 Amb10576306 [1,1,0,0,0,0|1,1,0]=4 2916 B7R1.2 Cc1cc(N)ns1 Amb24480706 [1,1,0,0,0,0|1,1,0]=4 2917 B7R1.2 Cc1cc(N)on1 Amb1156064 [1,1,0,0,0,0|2,0,0]=4 2918 B7R1.2 Cc1cc(N)sn1 Amb17621651 [1,1,0,0,0,0|2,0,0]=4 2919 B7R1.2 Cc1cc(N)sn1 Amb2371635 [1,1,0,0,0,0|2,0,0]=4 2920 B7R1.2 Cc1cc(N)sn1 Amb2684465 [1,1,0,0,0,0|2,0,0]=4 2921 B7R1.2 Cc1cc(O)cs1 Amb24523671 [1,1,0,0,0,0|0,1,0]=3 2922 B7R1.2 Cc1cc(O)no1 Amb2370655 [1,1,0,0,0,0|1,0,0]=3 2923 B7R1.2 Cc1cc(O)ns1 Amb2420511 [1,1,0,0,0,0|1,1,0]=4 2924 B7R1.2 Cc1cc(O)on1 Amb22337742 [1,1,0,0,0,0|1,0,0]=3 2925 B7R1.2 Cc1cc(O)on1 Amb4418352 [1,1,0,0,0,0|1,0,0]=3 2926 B7R1.2 Cc1cc(S)cs1 Amb28363926 [1,1,0,0,0,0|0,1,0]=3 2927 B7R1.2 Cc1cc(S)no1 Amb33315953 [1,1,0,0,0,0|1,0,0]=3 2928 B7R1.2 Cc1cc(S)on1 Amb33422693 [1,1,0,0,0,0|1,1,0]=4 2929 B7R1.2 Cc1ccc(Br)o1 Amb10600628 [1,1,0,0,0,0|0,0,0]=2 2930 B7R1.2 Cc1ccc(Br)s1 Amb8383934 [1,1,0,0,0,0|0,1,0]=3 2931 B7R1.2 Cc1ccc(C)o1 Amb2447078 [1,1,0,0,0,0|0,0,0]=2 2932 B7R1.2 Cc1ccc(C)s1 Amb2447067 [1,1,0,0,0,0|0,1,0]=3 2933 B7R1.2 Cc1ccc(Cl)o1 Amb25242029 [1,1,0,0,0,0|0,0,0]=2 2934 B7R1.2 Cc1ccc(Cl)s1 Amb16230980 [1,1,0,0,0,0|0,1,0]=3 2935 B7R1.2 Cc1ccc(F)o1 Amb27397440 [1,1,0,0,0,0|0,0,0]=2 2936 B7R1.2 Cc1ccc(I)o1 Amb25723970 [1,1,0,0,0,0|0,0,0]=2 2937 B7R1.2 Cc1ccc(I)s1 Amb2688858 [1,1,0,0,0,0|0,1,0]=3 2938 B7R1.2 Cc1ccc(N)o1 Amb10600629 [1,1,0,0,0,0|0,0,0]=2 2939 B7R1.2 Cc1ccc(N)s1 Amb19890911 [1,1,0,0,0,0|0,1,0]=3 2940 B7R1.2 Cc1ccc(N)s1 Amb9901860 [1,1,0,0,0,0|0,1,0]=3 2941 B7R1.2 Cc1ccc(O)o1 Amb26645726 [1,1,0,0,0,0|0,0,0]=2 2942 B7R1.2 Cc1ccc(O)s1 Amb17593190 [1,1,0,0,0,0|0,1,0]=3 2943 B7R1.2 Cc1ccc(S)o1 Amb25888543 [1,1,0,0,0,0|0,0,0]=2 2944 B7R1.2 Cc1ccc(S)s1 Amb20623930 [1,1,0,0,0,0|0,1,0]=3 2945 B7R1.2 Cc1ccn(C)c1 Amb24333650 [1,1,0,0,0,0|2,0,0]=4 2946 B7R1.2 Cc1ccn(C)n1 Amb1102391 [1,1,0,0,0,0|2,0,0]=4 2947 B7R1.2 Cc1ccn(C)n1 Amb32652720 [1,1,0,0,0,0|2,0,0]=4 2948 B7R1.2 Cc1ccn(N)n1 Amb25294398 [1,1,0,0,0,0|2,0,0]=4 2949 B7R1.2 Cc1cn(C)cn1 Amb20240808 [1,1,0,0,0,0|2,0,0]=4 2950 B7R1.2 Cc1cnc(Br)o1 Amb24113164 [1,1,0,0,0,0|1,0,0]=3 2951 B7R1.2 Cc1cnc(Br)o1 Amb25861323 [1,1,0,0,0,0|1,0,0]=3 2952 B7R1.2 Cc1cnc(Br)s1 Amb27653495 [1,1,0,0,0,0|1,1,0]=4 2953 B7R1.2 Cc1cnc(C)o1 Amb23399817 [1,1,0,0,0,0|1,0,0]=3 2954 B7R1.2 Cc1cnc(C)s1 Amb10576154 [1,1,0,0,0,0|1,1,0]=4 2955 B7R1.2 Cc1cnc(Cl)o1 Amb19516434 [1,1,0,0,0,0|1,0,0]=3 2956 B7R1.2 Cc1cnc(Cl)o1 Amb24117495 [1,1,0,0,0,0|1,0,0]=3 2957 B7R1.2 Cc1cnc(Cl)s1 Amb33540590 [1,1,0,0,0,0|1,1,0]=4 2958 B7R1.2 Cc1cnc(F)s1 Amb23452578 [1,1,0,0,0,0|1,1,0]=4 2959 B7R1.2 Cc1cnc(I)o1 Amb27757971 [1,1,0,0,0,0|1,0,0]=3 2960 B7R1.2 Cc1cnc(I)s1 Amb25075187 [1,1,0,0,0,0|1,1,0]=4 2961 B7R1.2 Cc1cnc(N)o1 Amb18277977 [1,1,0,0,0,0|1,0,0]=3 2962 B7R1.2 Cc1cnc(N)s1 Amb1952967 [1,1,0,0,0,0|1,1,0]=4 2963 B7R1.2 Cc1cnc(N)s1 Amb24052810 [1,1,0,0,0,0|1,1,0]=4 2964 B7R1.2 Cc1cnc(O)s1 Amb13884319 [1,1,0,0,0,0|1,1,0]=4 2965 B7R1.2 Cc1cnc(S)s1 Amb26872650 [1,1,0,0,0,0|1,1,0]=4 2966 B7R1.2 Cc1cnn(C)c1 Amb15692569 [1,1,0,0,0,0|2,0,0]=4 2967 B7R1.2 Cc1cnn(O)c1 Amb28203190 [1,1,0,0,0,0|2,0,0]=4 2968 B7R1.2 Cc1coc(Br)c1 Amb10600631 [1,1,0,0,0,0|1,0,0]=3 2969 B7R1.2 Cc1coc(Br)n1 Amb19958804 [1,1,0,0,0,0|2,0,0]=4 2970 B7R1.2 Cc1coc(Br)n1 Amb32652195 [1,1,0,0,0,0|2,0,0]=4 2971 B7R1.2 Cc1coc(C)n1 Amb15692404 [1,1,0,0,0,0|1,0,0]=3 2972 B7R1.2 Cc1coc(Cl)n1 Amb22728834 [1,1,0,0,0,0|2,0,0]=4 2973 B7R1.2 Cc1coc(Cl)n1 Amb35788441 [1,1,0,0,0,0|2,0,0]=4 2974 B7R1.2 Cc1coc(I)c1 Amb32685628 [1,1,0,0,0,0|1,0,0]=3 2975 B7R1.2 Cc1coc(I)n1 Amb27211088 [1,1,0,0,0,0|2,0,0]=4 2976 B7R1.2 Cc1coc(N)c1 Amb10600632 [1,1,0,0,0,0|1,0,0]=3 2977 B7R1.2 Cc1coc(N)n1 Amb2455669 [1,1,0,0,0,0|2,0,0]=4 2978 B7R1.2 Cc1coc(S)n1 Amb24121247 [1,1,0,0,0,0|1,1,0]=4 2979 B7R1.2 Cc1csc(Br)c1 Amb10600630 [1,1,0,0,0,0|1,1,0]=4 2980 B7R1.2 Cc1csc(Br)n1 Amb33528246 [1,1,0,0,0,0|2,0,0]=4 2981 B7R1.2 Cc1csc(C)c1 Amb2447068 [1,1,0,0,0,0|0,1,0]=3 2982 B7R1.2 Cc1csc(C)n1 Amb1161817 [1,1,0,0,0,0|1,1,0]=4 2983 B7R1.2 Cc1csc(Cl)c1 Amb26641847 [1,1,0,0,0,0|1,1,0]=4 2984 B7R1.2 Cc1csc(Cl)n1 Amb6892136 [1,1,0,0,0,0|2,0,0]=4 2985 B7R1.2 Cc1csc(F)n1 Amb23452579 [1,1,0,0,0,0|2,0,0]=4 2986 B7R1.2 Cc1csc(I)c1 Amb22496053 [1,1,0,0,0,0|1,1,0]=4 2987 B7R1.2 Cc1csc(I)n1 Amb19335804 [1,1,0,0,0,0|2,0,0]=4 2988 B7R1.2 Cc1csc(N)c1 Amb19958131 [1,1,0,0,0,0|1,1,0]=4 2989 B7R1.2 Cc1csc(N)c1 Amb2778988 [1,1,0,0,0,0|1,1,0]=4 2990 B7R1.2 Cc1csc(N)n1 Amb17845150 [1,1,0,0,0,0|2,0,0]=4 2991 B7R1.2 Cc1csc(N)n1 Amb1934780 [1,1,0,0,0,0|2,0,0]=4 2992 B7R1.2 Cc1csc(O)c1 Amb20617904 [1,1,0,0,0,0|0,1,0]=3 2993 B7R1.2 Cc1csc(S)c1 Amb26419420 [1,1,0,0,0,0|0,2,0]=4 2994 B7R1.2 Cc1csc(S)n1 Amb5395444 [1,1,0,0,0,0|2,0,0]=4 2995 B7R1.2 Cc1nc(Br)co1 Amb25727162 [1,1,0,0,0,0|1,0,0]=3 2996 B7R1.2 Cc1nc(Br)cs1 Amb33544482 [1,1,0,0,0,0|1,1,0]=4 2997 B7R1.2 Cc1nc(Br)no1 Amb15701413 [1,1,0,0,0,0|2,0,0]=4 2998 B7R1.2 Cc1nc(Cl)no1 Amb19516836 [1,1,0,0,0,0|2,0,0]=4 2999 B7R1.2 Cc1nc(F)cs1 Amb26888120 [1,1,0,0,0,0|1,1,0]=4 3000 B7R1.2 Cc1nc(I)cs1 Amb22753883 [1,1,0,0,0,0|1,1,0]=4 3001 B7R1.2 Cc1nc(N)co1 Amb22011557 [1,1,0,0,0,0|1,0,0]=3 3002 B7R1.2 Cc1nc(N)cs1 Amb10600549 [1,1,0,0,0,0|1,1,0]=4 3003 B7R1.2 Cc1nc(N)no1 Amb15701234 [1,1,0,0,0,0|2,0,0]=4 3004 B7R1.2 Cc1nc(O)cs1 Amb10600550 [1,1,0,0,0,0|1,1,0]=4 3005 B7R1.2 Cc1ncc(Br)o1 Amb26978784 [1,1,0,0,0,0|1,0,0]=3 3006 B7R1.2 Cc1ncc(Br)s1 Amb10599426 [1,1,0,0,0,0|1,1,0]=4 3007 B7R1.2 Cc1ncc(Cl)s1 Amb27882184 [1,1,0,0,0,0|1,1,0]=4 3008 B7R1.2 Cc1ncc(F)s1 Amb26551640 [1,1,0,0,0,0|1,1,0]=4 3009 B7R1.2 Cc1ncc(I)o1 Amb33803186 [1,1,0,0,0,0|1,0,0]=3 3010 B7R1.2 Cc1ncc(I)s1 Amb24698969 [1,1,0,0,0,0|1,1,0]=4 3011 B7R1.2 Cc1ncc(N)o1 Amb18061806 [1,1,0,0,0,0|1,0,0]=3 3012 B7R1.2 Cc1ncc(N)s1 Amb10599444 [1,1,0,0,0,0|1,1,0]=4 3013 B7R1.2 Cc1ncc(O)o1 Amb26530422 [1,1,0,0,0,0|1,0,0]=3 3014 B7R1.2 Cc1ncc(O)s1 Amb10599445 [1,1,0,0,0,0|1,1,0]=4 3015 B7R1.2 Cc1ncc(S)s1 Amb27633389 [1,1,0,0,0,0|1,1,0]=4 3016 B7R1.2 Cc1nnc(Br)o1 Amb9173754 [1,1,0,0,0,0|2,0,0]=4 3017 B7R1.2 Cc1nnc(C)o1 Amb3702550 [1,1,0,0,0,0|2,0,0]=4 3018 B7R1.2 Cc1nnc(Cl)o1 Amb18062393 [1,1,0,0,0,0|2,0,0]=4 3019 B7R1.2 Cc1nnc(I)o1 Amb25197940 [1,1,0,0,0,0|2,0,0]=4 3020 B7R1.2 Cc1nnc(N)o1 Amb1107346 [1,1,0,0,0,0|2,0,0]=4 3021 B7R1.2 Cc1nnc(O)o1 Amb15701519 [1,1,0,0,0,0|2,0,0]=4 3022 B7R1.2 Cc1nnc(S)o1 Amb1107237 [1,1,0,0,0,0|2,0,0]=4 3023 B7R1.2 Cc1noc(C)n1 Amb24423387 [1,1,0,0,0,0|2,0,0]=4 3024 B7R1.2 Cc1noc(O)n1 Amb19373400 [1,1,0,0,0,0|2,0,0]=4 3025 B7R1.2 Clc1cc(Br)cs1 Amb10602627 [1,1,0,0,0,0|1,1,0]=4 3026 B7R1.2 Clc1ccc(Br)o1 Amb28122976 [1,1,0,0,0,0|1,0,0]=3 3027 B7R1.2 Clc1ccc(Br)s1 Amb2685041 [1,1,0,0,0,0|1,1,0]=4 3028 B7R1.2 Clc1ccc(Cl)s1 Amb2447120 [1,1,0,0,0,0|1,1,0]=4 3029 B7R1.2 Clc1ccc(I)o1 Amb24752684 [1,1,0,0,0,0|1,0,0]=3 3030 B7R1.2 Clc1ccc(I)s1 Amb20620732 [1,1,0,0,0,0|1,1,0]=4 3031 B7R1.2 Clc1cnc(I)o1 Amb28048246 [1,1,0,0,0,0|2,0,0]=4 3032 B7R1.2 Clc1coc(Cl)c1 Amb26916025 [1,1,0,0,0,0|1,0,0]=3 3033 B7R1.2 Clc1csc(Br)c1 Amb26486652 [1,1,0,0,0,0|1,1,0]=4 3034 B7R1.2 Clc1csc(Cl)c1 Amb24056457 [1,1,0,0,0,0|1,1,0]=4 3035 B7R1.2 Cn1cc(Br)cn1 Amb2447654 [1,1,0,0,0,0|2,0,0]=4 3036 B7R1.2 Cn1cc(Cl)cn1 Amb9173509 [1,1,0,0,0,0|2,0,0]=4 3037 B7R1.2 Cn1cc(F)cn1 Amb23402169 [1,1,0,0,0,0|2,0,0]=4 3038 B7R1.2 Cn1cc(I)cn1 Amb8517060 [1,1,0,0,0,0|2,0,0]=4 3039 B7R1.2 Cn1cc(N)cn1 Amb15740846 [1,1,0,0,0,0|2,0,0]=4 3040 B7R1.2 Cn1cc(N)cn1 Amb2693437 [1,1,0,0,0,0|2,0,0]=4 3041 B7R1.2 Cn1cc(N)cn1 Amb6827128 [1,1,0,0,0,0|2,0,0]=4 3042 B7R1.2 Cn1cc(O)cn1 Amb33549858 [1,1,0,0,0,0|2,0,0]=4 3043 B7R1.2 Cn1cc(O)cn1 Amb33552990 [1,1,0,0,0,0|2,0,0]=4 3044 B7R1.2 Cn1cc(S)cn1 Amb7784830 [1,1,0,0,0,0|2,0,0]=4 3045 B7R1.2 Cn1ccc(Br)c1 Amb18243475 [1,1,0,0,0,0|2,0,0]=4 3046 B7R1.2 Cn1ccc(Br)n1 Amb10669443 [1,1,0,0,0,0|2,0,0]=4 3047 B7R1.2 Cn1ccc(Cl)n1 Amb6572473 [1,1,0,0,0,0|2,0,0]=4 3048 B7R1.2 Cn1ccc(I)n1 Amb2723921 [1,1,0,0,0,0|2,0,0]=4 3049 B7R1.2 Cn1ccc(N)c1 Amb18559366 [1,1,0,0,0,0|2,0,0]=4 3050 B7R1.2 Cn1ccc(N)c1 Amb22498085 [1,1,0,0,0,0|2,0,0]=4 3051 B7R1.2 Cn1ccc(N)n1 Amb1154592 [1,1,0,0,0,0|2,0,0]=4 3052 B7R1.2 Cn1ccc(O)n1 Amb22388466 [1,1,0,0,0,0|2,0,0]=4 3053 B7R1.2 Cn1ccc(S)n1 Amb25169408 [1,1,0,0,0,0|2,0,0]=4 3054 B7R1.2 Cn1cnc(O)c1 Amb27471105 [1,1,0,0,0,0|2,0,0]=4 3055 B7R1.2 FC1=COC(=S)N1 Amb27842398 [1,1,0,0,0,0|1,1,0]=4 3056 B7R1.2 Fc1ccc(Br)o1 Amb18199668 [1,1,0,0,0,0|1,0,0]=3 3057 B7R1.2 Fc1ccc(Br)s1 Amb18193111 [1,1,0,0,0,0|1,1,0]=4 3058 B7R1.2 Fc1ccc(Cl)o1 Amb26862440 [1,1,0,0,0,0|1,0,0]=3 3059 B7R1.2 Fc1ccc(Cl)s1 Amb27191815 [1,1,0,0,0,0|1,1,0]=4 3060 B7R1.2 Fc1ccc(F)o1 Amb27634413 [1,1,0,0,0,0|1,0,0]=3 3061 B7R1.2 Fc1ccc(I)s1 Amb24269146 [1,1,0,0,0,0|1,1,0]=4 3062 B7R1.2 Fc1coc(Br)c1 Amb18199638 [1,1,0,0,0,0|1,0,0]=3 3063 B7R1.2 Fc1coc(F)n1 Amb27246846 [1,1,0,0,0,0|2,0,0]=4 3064 B7R1.2 Fc1csc(Br)c1 Amb18193378 [1,1,0,0,0,0|1,1,0]=4 3065 B7R1.2 Fc1csc(F)c1 Amb24411512 [1,1,0,0,0,0|1,1,0]=4 3066 B7R1.2 Ic1ccc(I)s1 Amb2611731 [1,1,0,0,0,0|1,1,0]=4 3067 B7R1.2 Ic1coc(I)n1 Amb25700929 [1,1,0,0,0,0|2,0,0]=4 3068 B7R1.2 Ic1csc(I)c1 Amb27814436 [1,1,0,0,0,0|1,1,0]=4 3069 B7R1.2 N=C1C=C(N)CO1 Amb27631497 [1,1,0,0,0,0|1,0,1]=4 3070 B7R1.2 N=C1C=C(O)CO1 Amb27445689 [1,1,0,0,0,0|1,0,1]=4 3071 B7R1.2 N=C1C=C(O)CS1 Amb27438020 [1,1,0,0,0,0|2,0,0]=4 3072 B7R1.2 NC1=CC(=O)NO1 Amb20103209 [1,1,0,0,0,0|2,0,0]=4 3073 B7R1.2 Nc1cc(Br)co1 Amb18819119 [1,1,0,0,0,0|1,0,0]=3 3074 B7R1.2 Nc1cc(Br)cs1 Amb18564069 [1,1,0,0,0,0|1,1,0]=4 3075 B7R1.2 Nc1cc(Cl)cs1 Amb23401708 [1,1,0,0,0,0|1,1,0]=4 3076 B7R1.2 Nc1cc(Cl)on1 Amb27633620 [1,1,0,0,0,0|2,0,0]=4 3077 B7R1.2 Nc1cc(N)on1 Amb17622003 [1,1,0,0,0,0|2,0,0]=4 3078 B7R1.2 Nc1cc(N)on1 Amb33549726 [1,1,0,0,0,0|2,0,0]=4 3079 B7R1.2 Nc1cc(O)no1 Amb18941358 [1,1,0,0,0,0|2,0,0]=4 3080 B7R1.2 Nc1cc([O-])no1 Amb30585380 [1,1,0,0,0,0|2,0,0]=4 3081 B7R1.2 Nc1ccc(Br)o1 Amb13884560 [1,1,0,0,0,0|1,0,0]=3 3082 B7R1.2 Nc1ccc(Br)s1 Amb13884559 [1,1,0,0,0,0|1,1,0]=4 3083 B7R1.2 Nc1ccc(Br)s1 Amb20241251 [1,1,0,0,0,0|1,1,0]=4 3084 B7R1.2 Nc1ccc(Cl)o1 Amb25360216 [1,1,0,0,0,0|1,0,0]=3 3085 B7R1.2 Nc1ccc(Cl)s1 Amb18055064 [1,1,0,0,0,0|1,1,0]=4 3086 B7R1.2 Nc1ccc(F)o1 Amb18202898 [1,1,0,0,0,0|1,0,0]=3 3087 B7R1.2 Nc1ccc(F)s1 Amb18202738 [1,1,0,0,0,0|1,1,0]=4 3088 B7R1.2 Nc1ccc(I)o1 Amb25888418 [1,1,0,0,0,0|1,0,0]=3 3089 B7R1.2 Nc1ccc(N)o1 Amb18203063 [1,1,0,0,0,0|1,0,0]=3 3090 B7R1.2 Nc1ccc(N)s1 Amb18203358 [1,1,0,0,0,0|1,1,0]=4 3091 B7R1.2 Nc1ccc(O)o1 Amb24526005 [1,1,0,0,0,0|0,0,0]=2 3092 B7R1.2 Nc1cnc(O)s1 Amb27834031 [1,1,0,0,0,0|1,1,0]=4 3093 B7R1.2 Nc1cnn(O)c1 Amb27881666 [1,1,0,0,0,0|2,0,0]=4 3094 B7R1.2 Nc1coc(Br)c1 Amb18190961 [1,1,0,0,0,0|1,0,0]=3 3095 B7R1.2 Nc1csc(Br)c1 Amb18648086 [1,1,0,0,0,0|1,1,0]=4 3096 B7R1.2 Nc1csc(Br)c1 Amb19929503 [1,1,0,0,0,0|1,1,0]=4 3097 B7R1.2 Nc1csc(Br)c1 Amb31308081 [1,1,0,0,0,0|1,1,0]=4 3098 B7R1.2 Nc1csc(Cl)c1 Amb22492848 [1,1,0,0,0,0|1,1,0]=4 3099 B7R1.2 Nc1csc(Cl)c1 Amb22757511 [1,1,0,0,0,0|1,1,0]=4 3100 B7R1.2 Nc1csc(I)c1 Amb25788262 [1,1,0,0,0,0|1,1,0]=4 3101 B7R1.2 Nc1nc(O)cs1 Amb5717502 [1,1,0,0,0,0|2,0,0]=4 3102 B7R1.2 Nc1ncc(Br)o1 Amb27263501 [1,1,0,0,0,0|2,0,0]=4 3103 B7R1.2 Nn1cnc(O)c1 Amb27958962 [1,1,0,0,0,0|2,0,0]=4 3104 B7R1.2 O=C1C=C(Br)CO1 Amb10067500 [1,1,0,0,0,0|0,0,2]=4 3105 B7R1.2 O=C1C=C(I)CO1 Amb2455617 [1,1,0,0,0,0|0,0,2]=4 3106 B7R1.2 O=C1C=C(O)CC1 Amb9901808 [1,1,0,0,0,0|1,0,1]=4 3107 B7R1.2 O=C1C=C(O)CN1 Amb20623530 [1,1,0,0,0,0|2,0,0]=4 3108 B7R1.2 O=C1C=C(O)CO1 Amb628324 [1,1,0,0,0,0|0,0,2]=4 3109 B7R1.2 O=C1C=C(S)CO1 Amb28323506 [1,1,0,0,0,0|0,0,2]=4 3110 B7R1.2 O=C1C=CC(=O)C1 Amb22338203 [1,1,0,0,0,0|1,0,1]=4 3111 B7R1.2 O=C1C=CC(=O)N1 Amb1235242 [1,1,0,0,0,0|1,0,1]=4 3112 B7R1.2 O=C1C=CC(=O)O1 Amb20246531 [1,1,0,0,0,0|0,0,1]=3 3113 B7R1.2 O=C1C=CC(=O)O1 Amb6297783 [1,1,0,0,0,0|0,0,1]=3 3114 B7R1.2 O=C1C=CC(Br)O1 Amb22001603 [1,1,0,0,0,0|0,0,2]=4 3115 B7R1.2 O=C1C=CC(Cl)O1 Amb27760027 [1,1,0,0,0,0|0,0,2]=4 3116 B7R1.2 O=C1C=CC(F)O1 Amb27778280 [1,1,0,0,0,0|0,0,2]=4 3117 B7R1.2 O=C1C=CC(O)=N1 Amb22552540 [1,1,0,0,0,0|1,0,0]=3 3118 B7R1.2 O=C1C=CC(O)C1 Amb9782767 [1,1,0,0,0,0|1,0,1]=4 3119 B7R1.2 O=C1C=CC(O)N1 Amb27978638 [1,1,0,0,0,0|1,0,1]=4 3120 B7R1.2 O=C1C=CC(O)O1 Amb24544763 [1,1,0,0,0,0|0,0,1]=3 3121 B7R1.2 O=C1C=C[C@@H](O)C1 Amb27256512 [1,1,0,0,0,0|1,0,1]=4 3122 B7R1.2 O=C1C=C[C@H](O)C1 Amb2694980 [1,1,0,0,0,0|1,0,1]=4 3123 B7R1.2 O=C1CC(Br)=CO1 Amb27263920 [1,1,0,0,0,0|0,0,2]=4 3124 B7R1.2 O=C1NC(S)=CO1 Amb27441431 [1,1,0,0,0,0|1,0,1]=4 3125 B7R1.2 OC1=CNC(=S)S1 Amb26391172 [1,1,0,0,0,0|1,1,0]=4 3126 B7R1.2 OC1=COC(=S)N1 Amb26915057 [1,1,0,0,0,0|1,1,0]=4 3127 B7R1.2 OC1=CSC(=S)N1 Amb33827704 [1,1,0,0,0,0|2,0,0]=4 3128 B7R1.2 O[C@@H]1C=C[C@@H](O)O1 Amb28255636 [1,1,0,0,0,0|0,0,2]=4 3129 B7R1.2 O[C@@H]1C=C[C@H](O)O1 Amb27653107 [1,1,0,0,0,0|0,0,2]=4 3130 B7R1.2 Oc1cc(Br)co1 Amb33436075 [1,1,0,0,0,0|0,0,0]=2 3131 B7R1.2 Oc1cc(Br)cs1 Amb18819059 [1,1,0,0,0,0|0,1,0]=3 3132 B7R1.2 Oc1cc(Cl)cs1 Amb25888402 [1,1,0,0,0,0|0,1,0]=3 3133 B7R1.2 Oc1cc(Cl)no1 Amb27438670 [1,1,0,0,0,0|1,0,0]=3 3134 B7R1.2 Oc1cc(Cl)sn1 Amb21858019 [1,1,0,0,0,0|2,0,0]=4 3135 B7R1.2 Oc1ccc(Br)o1 Amb18199811 [1,1,0,0,0,0|0,0,0]=2 3136 B7R1.2 Oc1ccc(Br)s1 Amb18055072 [1,1,0,0,0,0|0,1,0]=3 3137 B7R1.2 Oc1ccc(Cl)o1 Amb25723971 [1,1,0,0,0,0|0,0,0]=2 3138 B7R1.2 Oc1ccc(Cl)s1 Amb18055065 [1,1,0,0,0,0|0,1,0]=3 3139 B7R1.2 Oc1ccc(I)o1 Amb25888416 [1,1,0,0,0,0|0,0,0]=2 3140 B7R1.2 Oc1cnc(Br)s1 Amb25137762 [1,1,0,0,0,0|1,1,0]=4 3141 B7R1.2 Oc1cnc(Cl)s1 Amb33221311 [1,1,0,0,0,0|1,1,0]=4 3142 B7R1.2 Oc1coc(I)n1 Amb35710124 [1,1,0,0,0,0|2,0,0]=4 3143 B7R1.2 Oc1csc(Br)c1 Amb33451893 [1,1,0,0,0,0|1,1,0]=4 3144 B7R1.2 Oc1csc(Br)n1 Amb18824582 [1,1,0,0,0,0|2,0,0]=4 3145 B7R1.2 Oc1csc(Cl)n1 Amb35710123 [1,1,0,0,0,0|2,0,0]=4 3146 B7R1.2 Oc1csc(O)n1 Amb10599939 [1,1,0,0,0,0|1,1,0]=4 3147 B7R1.2 Oc1nc(Br)cs1 Amb10599938 [1,1,0,0,0,0|1,1,0]=4 3148 B7R1.2 Oc1ncc(Br)s1 Amb20617312 [1,1,0,0,0,0|1,1,0]=4 3149 B7R1.2 On1cc(Br)cn1 Amb22371900 [1,1,0,0,0,0|2,0,0]=4 3150 B7R1.2 On1cc(Cl)cn1 Amb26953026 [1,1,0,0,0,0|2,0,0]=4 3151 B7R1.2 On1ccc(Br)n1 Amb28399212 [1,1,0,0,0,0|2,0,0]=4 3152 B7R1.2 S=C1NC(Cl)=CO1 Amb28255871 [1,1,0,0,0,0|1,1,0]=4 3153 B7R1.2 Sc1cc(Br)cs1 Amb25962064 [1,1,0,0,0,0|0,2,0]=4 3154 B7R1.2 Sc1cc(Cl)cs1 Amb26645411 [1,1,0,0,0,0|0,2,0]=4 3155 B7R1.2 Sc1ccc(Br)s1 Amb24524248 [1,1,0,0,0,0|0,2,0]=4 3156 B7R1.2 Sc1ccc(Cl)s1 Amb24479766 [1,1,0,0,0,0|0,2,0]=4 3157 B7R1.2 Sc1csc(Br)c1 Amb33433579 [1,1,0,0,0,0|1,1,0]=4 3158 B7R1.2 Sc1ncc(Br)o1 Amb27653886 [1,1,0,0,0,0|1,1,0]=4 3159 B7R1.2 [*]c1ccc([*])s1 Amb32414727 [1,1,0,0,0,0|1,1,0]=4 3160 B7R1.2 [2H]c1ccc(Br)o1 Amb10597228 [1,1,0,0,0,0|1,0,0]=3 3161 B7R1.2 [2H]c1ccc(N)o1 Amb10597230 [1,1,0,0,0,0|1,0,0]=3 3162 B7R1.2 [2H]c1ccc(N)s1 Amb10597229 [1,1,0,0,0,0|1,1,0]=4 3163 B7R1.4 Brc1ccoc1Br Amb6366140 [1,1,0,0,0,0|1,0,0]=3 3164 B7R1.4 Brc1ccoc1I Amb26608371 [1,1,0,0,0,0|1,0,0]=3 3165 B7R1.4 Brc1ccsc1Br Amb2237068 [1,1,0,0,0,0|1,1,0]=4 3166 B7R1.4 Brc1ccsc1I Amb20620492 [1,1,0,0,0,0|1,1,0]=4 3167 B7R1.4 Brc1sccc1I Amb20620493 [1,1,0,0,0,0|1,1,0]=4 3168 B7R1.4 CC1=C(S)CCO1 Amb16232456 [1,1,0,0,0,0|0,0,2]=4 3169 B7R1.4 CC1=CCN=C1C Amb27463558 [1,1,0,0,0,0|1,0,1]=4 3170 B7R1.4 CC1=CCOC1=O Amb16231256 [1,1,0,0,0,0|0,0,2]=4 3171 B7R1.4 CC1C=COC1=O Amb27862334 [1,1,0,0,0,0|0,0,2]=4 3172 B7R1.4 CC1NC=CC1=O Amb28201187 [1,1,0,0,0,0|1,0,1]=4 3173 B7R1.4 CC1OC=CC1=O Amb28053998 [1,1,0,0,0,0|0,0,1]=3 3174 B7R1.4 CN1CC=CC1=N Amb27850064 [1,1,0,0,0,0|2,0,0]=4 3175 B7R1.4 CN1CC=CC1=O Amb22372248 [1,1,0,0,0,0|2,0,0]=4 3176 B7R1.4 CN1NC=CC1=O Amb22002214 [1,1,0,0,0,0|2,0,0]=4 3177 B7R1.4 CN1SC=CC1=O Amb19133167 [1,1,0,0,0,0|1,1,0]=4 3178 B7R1.4 CN1SC=CC1=O Amb20239425 [1,1,0,0,0,0|1,1,0]=4 3179 B7R1.4 CN1SC=CC1=O Amb31289633 [1,1,0,0,0,0|1,1,0]=4 3180 B7R1.4 C[n+]1sccc1N Amb28320731 [1,1,0,0,0,0|1,1,0]=4 3181 B7R1.4 Cc1cccn1C Amb2447020 [1,1,0,0,0,0|1,0,0]=3 3182 B7R1.4 Cc1ccnn1C Amb1945868 [1,1,0,0,0,0|2,0,0]=4 3183 B7R1.4 Cc1ccoc1C Amb8515826 [1,1,0,0,0,0|0,0,0]=2 3184 B7R1.4 Cc1ccoc1O Amb33343228 [1,1,0,0,0,0|0,0,0]=2 3185 B7R1.4 Cc1ccoc1S Amb27613044 [1,1,0,0,0,0|0,1,0]=3 3186 B7R1.4 Cc1ccsc1Br Amb2236394 [1,1,0,0,0,0|1,1,0]=4 3187 B7R1.4 Cc1ccsc1C Amb2447413 [1,1,0,0,0,0|0,1,0]=3 3188 B7R1.4 Cc1ccsc1Cl Amb8396573 [1,1,0,0,0,0|1,1,0]=4 3189 B7R1.4 Cc1ccsc1F Amb27459925 [1,1,0,0,0,0|1,1,0]=4 3190 B7R1.4 Cc1ccsc1I Amb22898804 [1,1,0,0,0,0|1,1,0]=4 3191 B7R1.4 Cc1ccsc1N Amb18679496 [1,1,0,0,0,0|1,1,0]=4 3192 B7R1.4 Cc1ccsc1O Amb24639732 [1,1,0,0,0,0|0,1,0]=3 3193 B7R1.4 Cc1ccsc1S Amb25747282 [1,1,0,0,0,0|0,2,0]=4 3194 B7R1.4 Cc1cncn1C Amb22044022 [1,1,0,0,0,0|2,0,0]=4 3195 B7R1.4 Cc1cnoc1C Amb4007674 [1,1,0,0,0,0|1,0,0]=3 3196 B7R1.4 Cc1cnoc1Cl Amb28313653 [1,1,0,0,0,0|2,0,0]=4 3197 B7R1.4 Cc1cnoc1N Amb18943767 [1,1,0,0,0,0|2,0,0]=4 3198 B7R1.4 Cc1cnoc1O Amb25064746 [1,1,0,0,0,0|1,0,0]=3 3199 B7R1.4 Cc1cocc1C Amb17613311 [1,1,0,0,0,0|2,0,0]=4 3200 B7R1.4 Cc1cocc1F Amb27971160 [1,1,0,0,0,0|2,0,0]=4 3201 B7R1.4 Cc1cocc1I Amb24630674 [1,1,0,0,0,0|2,0,0]=4 3202 B7R1.4 Cc1conc1C Amb27468671 [1,1,0,0,0,0|2,0,0]=4 3203 B7R1.4 Cc1csc[n+]1[O-] Amb27834367 [1,1,0,0,0,0|2,0,0]=4 3204 B7R1.4 Cc1cscc1Br Amb2447459 [1,1,0,0,0,0|2,0,0]=4 3205 B7R1.4 Cc1cscc1C Amb2782126 [1,1,0,0,0,0|2,0,0]=4 3206 B7R1.4 Cc1cscc1I Amb27967883 [1,1,0,0,0,0|2,0,0]=4 3207 B7R1.4 Cc1cscc1N Amb18833058 [1,1,0,0,0,0|2,0,0]=4 3208 B7R1.4 Cc1cscc1N Amb20667756 [1,1,0,0,0,0|2,0,0]=4 3209 B7R1.4 Cc1cscc1N Amb22234035 [1,1,0,0,0,0|2,0,0]=4 3210 B7R1.4 Cc1cscc1O Amb26458243 [1,1,0,0,0,0|2,0,0]=4 3211 B7R1.4 Cc1cscc1S Amb28239564 [1,1,0,0,0,0|2,0,0]=4 3212 B7R1.4 Cc1nccn1C Amb2455761 [1,1,0,0,0,0|2,0,0]=4 3213 B7R1.4 Cc1nccn1N Amb26062576 [1,1,0,0,0,0|2,0,0]=4 3214 B7R1.4 Cc1nccn1O Amb27210147 [1,1,0,0,0,0|2,0,0]=4 3215 B7R1.4 Cc1ncoc1Br Amb26896749 [1,1,0,0,0,0|2,0,0]=4 3216 B7R1.4 Cc1ncoc1Br Amb33546754 [1,1,0,0,0,0|2,0,0]=4 3217 B7R1.4 Cc1ncoc1C Amb22396059 [1,1,0,0,0,0|1,0,0]=3 3218 B7R1.4 Cc1ncoc1N Amb22234804 [1,1,0,0,0,0|2,0,0]=4 3219 B7R1.4 Cc1ncsc1Br Amb10067879 [1,1,0,0,0,0|2,0,0]=4 3220 B7R1.4 Cc1ncsc1C Amb2687623 [1,1,0,0,0,0|1,1,0]=4 3221 B7R1.4 Cc1ncsc1I Amb32685565 [1,1,0,0,0,0|2,0,0]=4 3222 B7R1.4 Cc1ncsc1N Amb18943427 [1,1,0,0,0,0|2,0,0]=4 3223 B7R1.4 Cc1ncsc1N Amb28555342 [1,1,0,0,0,0|2,0,0]=4 3224 B7R1.4 Cc1ncsc1O Amb25268351 [1,1,0,0,0,0|1,1,0]=4 3225 B7R1.4 Cc1ncsc1S Amb27184569 [1,1,0,0,0,0|2,0,0]=4 3226 B7R1.4 Cc1nocc1Br Amb26960147 [1,1,0,0,0,0|2,0,0]=4 3227 B7R1.4 Cc1nocc1N Amb22235025 [1,1,0,0,0,0|2,0,0]=4 3228 B7R1.4 Cc1nocc1N Amb22494732 [1,1,0,0,0,0|2,0,0]=4 3229 B7R1.4 Cc1nscc1Br Amb10976050 [1,1,0,0,0,0|2,0,0]=4 3230 B7R1.4 Cc1nscc1N Amb10604431 [1,1,0,0,0,0|2,0,0]=4 3231 B7R1.4 Cc1nscc1N Amb31156296 [1,1,0,0,0,0|2,0,0]=4 3232 B7R1.4 Cc1occc1Br Amb6572125 [1,1,0,0,0,0|0,0,0]=2 3233 B7R1.4 Cc1occc1N Amb18203072 [1,1,0,0,0,0|0,0,0]=2 3234 B7R1.4 Cc1occc1O Amb25178728 [1,1,0,0,0,0|0,0,0]=2 3235 B7R1.4 Cc1occc1S Amb8393173 [1,1,0,0,0,0|0,0,0]=2 3236 B7R1.4 Cc1ocnc1Br Amb24357642 [1,1,0,0,0,0|1,0,0]=3 3237 B7R1.4 Cc1ocnc1Br Amb35748154 [1,1,0,0,0,0|1,0,0]=3 3238 B7R1.4 Cc1oncc1Br Amb18199818 [1,1,0,0,0,0|1,0,0]=3 3239 B7R1.4 Cc1oncc1I Amb2723393 [1,1,0,0,0,0|1,0,0]=3 3240 B7R1.4 Cc1oncc1N Amb18119789 [1,1,0,0,0,0|1,0,0]=3 3241 B7R1.4 Cc1oncc1N Amb20668399 [1,1,0,0,0,0|1,0,0]=3 3242 B7R1.4 Cc1oncc1S Amb33361110 [1,1,0,0,0,0|1,0,0]=3 3243 B7R1.4 Cc1onnc1Br Amb27199845 [1,1,0,0,0,0|2,0,0]=4 3244 B7R1.4 Cc1onnc1N Amb18202618 [1,1,0,0,0,0|2,0,0]=4 3245 B7R1.4 Cc1sccc1Br Amb8393327 [1,1,0,0,0,0|0,1,0]=3 3246 B7R1.4 Cc1sccc1Cl Amb27412961 [1,1,0,0,0,0|0,1,0]=3 3247 B7R1.4 Cc1sccc1F Amb27607081 [1,1,0,0,0,0|0,1,0]=3 3248 B7R1.4 Cc1sccc1I Amb27661837 [1,1,0,0,0,0|0,1,0]=3 3249 B7R1.4 Cc1sccc1N Amb18833056 [1,1,0,0,0,0|0,1,0]=3 3250 B7R1.4 Cc1sccc1N Amb22276099 [1,1,0,0,0,0|0,1,0]=3 3251 B7R1.4 Cc1sccc1O Amb26621113 [1,1,0,0,0,0|0,1,0]=3 3252 B7R1.4 Cc1scnc1Br Amb18824935 [1,1,0,0,0,0|1,1,0]=4 3253 B7R1.4 Cc1scnc1N Amb23504020 [1,1,0,0,0,0|1,1,0]=4 3254 B7R1.4 Cc1scnc1N Amb32668593 [1,1,0,0,0,0|1,1,0]=4 3255 B7R1.4 Cc1sncc1Br Amb24610354 [1,1,0,0,0,0|1,1,0]=4 3256 B7R1.4 Cc1sncc1N Amb27409989 [1,1,0,0,0,0|1,1,0]=4 3257 B7R1.4 Clc1ccsc1Br Amb5720097 [1,1,0,0,0,0|1,1,0]=4 3258 B7R1.4 Clc1ccsc1Cl Amb2694396 [1,1,0,0,0,0|1,1,0]=4 3259 B7R1.4 Clc1ccsc1I Amb25169530 [1,1,0,0,0,0|1,1,0]=4 3260 B7R1.4 Clc1ncoc1Br Amb27968175 [1,1,0,0,0,0|2,0,0]=4 3261 B7R1.4 Clc1ncoc1Cl Amb27224184 [1,1,0,0,0,0|2,0,0]=4 3262 B7R1.4 Clc1sccc1Br Amb2722493 [1,1,0,0,0,0|1,1,0]=4 3263 B7R1.4 Cn1cccc1Br Amb18199426 [1,1,0,0,0,0|2,0,0]=4 3264 B7R1.4 Cn1cccc1Cl Amb25212184 [1,1,0,0,0,0|2,0,0]=4 3265 B7R1.4 Cn1cccc1I Amb24756601 [1,1,0,0,0,0|2,0,0]=4 3266 B7R1.4 Cn1cccc1O Amb27652694 [1,1,0,0,0,0|1,0,0]=3 3267 B7R1.4 Cn1cccc1S Amb25888537 [1,1,0,0,0,0|1,1,0]=4 3268 B7R1.4 Cn1cncc1O Amb27436828 [1,1,0,0,0,0|2,0,0]=4 3269 B7R1.4 Cn1nccc1Br Amb10603813 [1,1,0,0,0,0|2,0,0]=4 3270 B7R1.4 Cn1nccc1Cl Amb24622347 [1,1,0,0,0,0|2,0,0]=4 3271 B7R1.4 Cn1nccc1F Amb24269140 [1,1,0,0,0,0|2,0,0]=4 3272 B7R1.4 Cn1nccc1I Amb7990079 [1,1,0,0,0,0|2,0,0]=4 3273 B7R1.4 Cn1nccc1N Amb21890197 [1,1,0,0,0,0|2,0,0]=4 3274 B7R1.4 Cn1nccc1N Amb535304 [1,1,0,0,0,0|2,0,0]=4 3275 B7R1.4 Cn1nccc1O Amb13883681 [1,1,0,0,0,0|2,0,0]=4 3276 B7R1.4 Cn1nccc1O Amb22233838 [1,1,0,0,0,0|2,0,0]=4 3277 B7R1.4 Cn1nccc1S Amb28248390 [1,1,0,0,0,0|2,0,0]=4 3278 B7R1.4 Fc1ccoc1Br Amb18199675 [1,1,0,0,0,0|1,0,0]=3 3279 B7R1.4 Fc1ccoc1F Amb27877614 [1,1,0,0,0,0|1,0,0]=3 3280 B7R1.4 Fc1ccsc1Br Amb18522293 [1,1,0,0,0,0|1,1,0]=4 3281 B7R1.4 Fc1ccsc1F Amb24562839 [1,1,0,0,0,0|1,1,0]=4 3282 B7R1.4 Fc1ncoc1F Amb27481861 [1,1,0,0,0,0|2,0,0]=4 3283 B7R1.4 Fc1sccc1Br Amb25802858 [1,1,0,0,0,0|1,1,0]=4 3284 B7R1.4 NC1=CCOC1=O Amb22234102 [1,1,0,0,0,0|0,0,2]=4 3285 B7R1.4 Nc1ccoc1Br Amb13884558 [1,1,0,0,0,0|1,0,0]=3 3286 B7R1.4 Nc1ccsc1Br Amb13884557 [1,1,0,0,0,0|1,1,0]=4 3287 B7R1.4 Nc1ccsc1Br Amb33553014 [1,1,0,0,0,0|1,1,0]=4 3288 B7R1.4 Nc1ccsc1Cl Amb24054287 [1,1,0,0,0,0|1,1,0]=4 3289 B7R1.4 Nc1ccsc1Cl Amb25077005 [1,1,0,0,0,0|1,1,0]=4 3290 B7R1.4 Nc1ccsc1F Amb27958934 [1,1,0,0,0,0|1,1,0]=4 3291 B7R1.4 Nc1csnc1O Amb27848643 [1,1,0,0,0,0|2,0,0]=4 3292 B7R1.4 Nc1ncoc1N Amb27421513 [1,1,0,0,0,0|2,0,0]=4 3293 B7R1.4 Nc1ocnc1S Amb27445920 [1,1,0,0,0,0|2,0,0]=4 3294 B7R1.4 Nc1oncc1Br Amb28247892 [1,1,0,0,0,0|2,0,0]=4 3295 B7R1.4 Nc1oncc1Cl Amb24385964 [1,1,0,0,0,0|2,0,0]=4 3296 B7R1.4 Nc1oncc1I Amb25865232 [1,1,0,0,0,0|2,0,0]=4 3297 B7R1.4 Nc1sccc1Br Amb18190889 [1,1,0,0,0,0|1,1,0]=4 3298 B7R1.4 Nc1sccc1Cl Amb23401705 [1,1,0,0,0,0|1,1,0]=4 3299 B7R1.4 Nc1sccc1O Amb26606275 [1,1,0,0,0,0|1,1,0]=4 3300 B7R1.4 O=C1C=CC=C1Br Amb28435335 [1,1,0,0,0,0|1,0,1]=4 3301 B7R1.4 O=C1C=CC=C1O Amb27835626 [1,1,0,0,0,0|1,0,0]=3 3302 B7R1.4 O=C1C=CCN1O Amb28255915 [1,1,0,0,0,0|2,0,0]=4 3303 B7R1.4 O=C1C=CNC1=O Amb26887753 [1,1,0,0,0,0|1,0,1]=4 3304 B7R1.4 O=C1C=COC1O Amb27638452 [1,1,0,0,0,0|0,0,1]=3 3305 B7R1.4 O=C1OC=CC1Br Amb22015332 [1,1,0,0,0,0|0,0,2]=4 3306 B7R1.4 O=C1OC=CC1S Amb27624883 [1,1,0,0,0,0|0,0,2]=4 3307 B7R1.4 O=C1OC=C[C@@H]1O Amb27472742 [1,1,0,0,0,0|0,0,2]=4 3308 B7R1.4 O=C1OCC=C1Br Amb10067498 [1,1,0,0,0,0|0,0,2]=4 3309 B7R1.4 O=C1OCC=C1Cl Amb23571857 [1,1,0,0,0,0|0,0,2]=4 3310 B7R1.4 O=C1OCC=C1F Amb28144969 [1,1,0,0,0,0|0,0,2]=4 3311 B7R1.4 Oc1cocc1O Amb28059187 [1,1,0,0,0,0|2,0,0]=4 3312 B7R1.4 Oc1nscc1Br Amb27438145 [1,1,0,0,0,0|2,0,0]=4 3313 B7R1.4 Oc1occc1Br Amb18199810 [1,1,0,0,0,0|0,0,0]=2 3314 B7R1.4 Oc1sccc1Br Amb22492529 [1,1,0,0,0,0|0,1,0]=3 3315 B7R1.4 Oc1sccc1Cl Amb25296805 [1,1,0,0,0,0|0,1,0]=3 3316 B7R1.4 Sc1sccc1Br Amb26548900 [1,1,0,0,0,0|0,2,0]=4 3317 B7R1.4 Sc1sccc1Cl Amb27832493 [1,1,0,0,0,0|0,2,0]=4 3318 B7R1.14 CP1(=O)C=CCO1 Amb25345454 [1,1,0,0,0,0|1,0,1]=4 3319 B7R1.6 OCCC1=CCC1 Amb28189596 [0,1,0,0,1,0|0,0,2]=4 3320 B9R1.1 BrCc1ccc(Br)cc1 Amb6364752 [0,1,0,0,0,1|2,0,0]=4 3321 B9R1.1 BrCc1ccc(Br)cn1 Amb22497644 [0,1,0,0,0,1|2,0,0]=4 3322 B9R1.1 BrCc1ccc(Br)cn1 Amb22831138 [0,1,0,0,0,1|2,0,0]=4 3323 B9R1.1 BrCc1ccc(Br)nc1 Amb20617927 [0,1,0,0,0,1|2,0,0]=4 3324 B9R1.1 BrCc1ccc(Br)nc1 Amb22273996 [0,1,0,0,0,1|2,0,0]=4 3325 B9R1.1 BrCc1ccc(Br)nn1 Amb22753676 [0,1,0,0,0,1|2,0,0]=4 3326 B9R1.1 BrCc1ccc(I)cc1 Amb6296830 [0,1,0,0,0,1|2,0,0]=4 3327 B9R1.1 BrCc1cnc(Br)cn1 Amb24457796 [0,1,0,0,0,1|2,0,0]=4 3328 B9R1.1 BrCc1ncc(Br)cn1 Amb22500673 [0,1,0,0,0,1|2,0,0]=4 3329 B9R1.1 Brc1ccc(CI)cc1 Amb23590685 [0,1,0,0,0,1|2,0,0]=4 3330 B9R1.1 Brc1ccc(CI)nc1 Amb26908936 [0,1,0,0,0,1|2,0,0]=4 3331 B9R1.1 CC1=CC=C(CO)SS1 Amb27843903 [0,1,0,0,0,1|0,1,0]=3 3332 B9R1.1 CC1C=CC(CO)NO1 Amb27440501 [0,1,0,0,0,1|0,0,2]=4 3333 B9R1.1 CC1C=CC(CO)ON1 Amb28140763 [0,1,0,0,0,1|0,0,2]=4 3334 B9R1.1 CCC1=CNC(=O)C=C1 Amb19889888 [0,1,0,0,0,1|2,0,0]=4 3335 B9R1.1 CCC1=CNC(=S)C=N1 Amb35707044 [0,1,0,0,0,1|2,0,0]=4 3336 B9R1.1 CCC1=NNC(=O)C=C1 Amb27945358 [0,1,0,0,0,1|2,0,0]=4 3337 B9R1.1 CCC1=NNC(=S)C=C1 Amb35707045 [0,1,0,0,0,1|2,0,0]=4 3338 B9R1.1 CCc1cc[n+](C)cc1 Amb27955889 [0,1,0,0,0,1|2,0,0]=4 3339 B9R1.1 CCc1cc[n+]([O-])cc1 Amb2609610 [0,1,0,0,0,1|2,0,0]=4 3340 B9R1.1 CCc1ccc(Br)cc1 Amb3939114 [0,1,0,0,0,1|2,0,0]=4 3341 B9R1.1 CCc1ccc(Br)cc1 Amb9787458 [0,1,0,0,0,1|2,0,0]=4 3342 B9R1.1 CCc1ccc(Br)cn1 Amb19957826 [0,1,0,0,0,1|2,0,0]=4 3343 B9R1.1 CCc1ccc(Br)nc1 Amb10600529 [0,1,0,0,0,1|2,0,0]=4 3344 B9R1.1 CCc1ccc(Br)nn1 Amb10599692 [0,1,0,0,0,1|2,0,0]=4 3345 B9R1.1 CCc1ccc(C)nc1 Amb2609965 [0,1,0,0,0,1|2,0,0]=4 3346 B9R1.1 CCc1ccc(Cl)cc1 Amb17674113 [0,1,0,0,0,1|2,0,0]=4 3347 B9R1.1 CCc1ccc(Cl)cn1 Amb10600804 [0,1,0,0,0,1|2,0,0]=4 3348 B9R1.1 CCc1ccc(Cl)nc1 Amb19516432 [0,1,0,0,0,1|2,0,0]=4 3349 B9R1.1 CCc1ccc(Cl)nn1 Amb22754020 [0,1,0,0,0,1|2,0,0]=4 3350 B9R1.1 CCc1ccc(F)cc1 Amb2687851 [0,1,0,0,0,1|2,0,0]=4 3351 B9R1.1 CCc1ccc(F)cn1 Amb23402698 [0,1,0,0,0,1|2,0,0]=4 3352 B9R1.1 CCc1ccc(F)nc1 Amb28239504 [0,1,0,0,0,1|2,0,0]=4 3353 B9R1.1 CCc1ccc(I)cc1 Amb8514902 [0,1,0,0,0,1|2,0,0]=4 3354 B9R1.1 CCc1ccc(I)nc1 Amb24436572 [0,1,0,0,0,1|2,0,0]=4 3355 B9R1.1 CCc1ccc(N)cc1 Amb2792820 [0,1,0,0,0,1|2,0,0]=4 3356 B9R1.1 CCc1ccc(N)cn1 Amb10600806 [0,1,0,0,0,1|2,0,0]=4 3357 B9R1.1 CCc1ccc(N)nc1 Amb10600531 [0,1,0,0,0,1|2,0,0]=4 3358 B9R1.1 CCc1ccc(N)nn1 Amb10599694 [0,1,0,0,0,1|2,0,0]=4 3359 B9R1.1 CCc1ccc(O)cc1 Amb2227602 [0,1,0,0,0,1|2,0,0]=4 3360 B9R1.1 CCc1ccc(O)cn1 Amb10573735 [0,1,0,0,0,1|2,0,0]=4 3361 B9R1.1 CCc1ccc(O)nc1 Amb10600532 [0,1,0,0,0,1|2,0,0]=4 3362 B9R1.1 CCc1ccc(S)cc1 Amb2687959 [0,1,0,0,0,1|2,0,0]=4 3363 B9R1.1 CCc1cnc(Br)cn1 Amb10599458 [0,1,0,0,0,1|2,0,0]=4 3364 B9R1.1 CCc1cnc(C)cn1 Amb15691842 [0,1,0,0,0,1|2,0,0]=4 3365 B9R1.1 CCc1cnc(Cl)cn1 Amb28182927 [0,1,0,0,0,1|2,0,0]=4 3366 B9R1.1 CCc1cnc(N)cn1 Amb13884056 [0,1,0,0,0,1|2,0,0]=4 3367 B9R1.1 CCc1cnc(O)cn1 Amb10599460 [0,1,0,0,0,1|2,0,0]=4 3368 B9R1.1 CCc1ncc(Br)cn1 Amb13884461 [0,1,0,0,0,1|2,0,0]=4 3369 B9R1.1 CCc1ncc(Cl)cn1 Amb27482117 [0,1,0,0,0,1|2,0,0]=4 3370 B9R1.1 CCc1ncc(I)cn1 Amb26503988 [0,1,0,0,0,1|2,0,0]=4 3371 B9R1.1 CCc1ncc(N)cn1 Amb9210774 [0,1,0,0,0,1|2,0,0]=4 3372 B9R1.1 CCc1ncc(O)cn1 Amb13884796 [0,1,0,0,0,1|2,0,0]=4 3373 B9R1.1 C[n+]1ccc(CN)cc1 Amb24113135 [0,1,0,0,0,1|2,0,0]=4 3374 B9R1.1 C[n+]1ccc(CO)cc1 Amb2608599 [0,1,0,0,0,1|1,0,0]=3 3375 B9R1.1 Cc1ccc(CBr)cc1 Amb3939709 [0,1,0,0,0,1|2,0,0]=4 3376 B9R1.1 Cc1ccc(CBr)cn1 Amb15694777 [0,1,0,0,0,1|2,0,0]=4 3377 B9R1.1 Cc1ccc(CBr)cn1 Amb18326669 [0,1,0,0,0,1|2,0,0]=4 3378 B9R1.1 Cc1ccc(CBr)nc1 Amb23401204 [0,1,0,0,0,1|2,0,0]=4 3379 B9R1.1 Cc1ccc(CBr)nn1 Amb26530746 [0,1,0,0,0,1|2,0,0]=4 3380 B9R1.1 Cc1ccc(CCl)cc1 Amb2792912 [0,1,0,0,0,1|2,0,0]=4 3381 B9R1.1 Cc1ccc(CCl)cn1 Amb22235163 [0,1,0,0,0,1|2,0,0]=4 3382 B9R1.1 Cc1ccc(CCl)cn1 Amb8999106 [0,1,0,0,0,1|2,0,0]=4 3383 B9R1.1 Cc1ccc(CCl)nc1 Amb20668491 [0,1,0,0,0,1|2,0,0]=4 3384 B9R1.1 Cc1ccc(CCl)nc1 Amb21856157 [0,1,0,0,0,1|2,0,0]=4 3385 B9R1.1 Cc1ccc(CCl)nn1 Amb25325744 [0,1,0,0,0,1|2,0,0]=4 3386 B9R1.1 Cc1ccc(CCl)nn1 Amb33069658 [0,1,0,0,0,1|2,0,0]=4 3387 B9R1.1 Cc1ccc(CN)cc1 Amb2725507 [0,1,0,0,0,1|2,0,0]=4 3388 B9R1.1 Cc1ccc(CN)cn1 Amb33544900 [0,1,0,0,0,1|2,0,0]=4 3389 B9R1.1 Cc1ccc(CN)cn1 Amb6255800 [0,1,0,0,0,1|2,0,0]=4 3390 B9R1.1 Cc1ccc(CN)nc1 Amb1138473 [0,1,0,0,0,1|2,0,0]=4 3391 B9R1.1 Cc1ccc(CN)nc1 Amb22586821 [0,1,0,0,0,1|2,0,0]=4 3392 B9R1.1 Cc1ccc(CN)nc1 Amb22727965 [0,1,0,0,0,1|2,0,0]=4 3393 B9R1.1 Cc1ccc(CN)nn1 Amb21856420 [0,1,0,0,0,1|2,0,0]=4 3394 B9R1.1 Cc1ccc(CN)nn1 Amb22899636 [0,1,0,0,0,1|2,0,0]=4 3395 B9R1.1 Cc1ccc(CO)cc1 Amb6705746 [0,1,0,0,0,1|1,0,0]=3 3396 B9R1.1 Cc1ccc(CO)cn1 Amb33550507 [0,1,0,0,0,1|1,0,0]=3 3397 B9R1.1 Cc1ccc(CO)nc1 Amb20248030 [0,1,0,0,0,1|1,0,0]=3 3398 B9R1.1 Cc1ccc(CO)nc1 Amb32663099 [0,1,0,0,0,1|1,0,0]=3 3399 B9R1.1 Cc1ccc(CO)nn1 Amb22002148 [0,1,0,0,0,1|1,0,0]=3 3400 B9R1.1 Cc1ccc(CS)cc1 Amb2726198 [0,1,0,0,0,1|1,1,0]=4 3401 B9R1.1 Cc1ccc(CS)cn1 Amb26984226 [0,1,0,0,0,1|1,1,0]=4 3402 B9R1.1 Cc1ccc(CS)nc1 Amb26873949 [0,1,0,0,0,1|1,1,0]=4 3403 B9R1.1 Cc1ccc(NO)cc1 Amb21961957 [0,1,0,0,0,1|2,0,0]=4 3404 B9R1.1 Cc1cnc(CBr)cn1 Amb18327371 [0,1,0,0,0,1|2,0,0]=4 3405 B9R1.1 Cc1cnc(CBr)nc1 Amb22500863 [0,1,0,0,0,1|2,0,0]=4 3406 B9R1.1 Cc1cnc(CCl)cn1 Amb19373213 [0,1,0,0,0,1|2,0,0]=4 3407 B9R1.1 Cc1cnc(CCl)cn1 Amb9004344 [0,1,0,0,0,1|2,0,0]=4 3408 B9R1.1 Cc1cnc(CCl)nc1 Amb19958446 [0,1,0,0,0,1|2,0,0]=4 3409 B9R1.1 Cc1cnc(CCl)nc1 Amb21963303 [0,1,0,0,0,1|2,0,0]=4 3410 B9R1.1 Cc1cnc(CI)cn1 Amb35667149 [0,1,0,0,0,1|2,0,0]=4 3411 B9R1.1 Cc1cnc(CN)cn1 Amb2684466 [0,1,0,0,0,1|2,0,0]=4 3412 B9R1.1 Cc1cnc(CN)cn1 Amb34162677 [0,1,0,0,0,1|2,0,0]=4 3413 B9R1.1 Cc1cnc(CN)nc1 Amb21858992 [0,1,0,0,0,1|2,0,0]=4 3414 B9R1.1 Cc1cnc(CN)nc1 Amb33549412 [0,1,0,0,0,1|2,0,0]=4 3415 B9R1.1 Cc1cnc(CO)cn1 Amb33545971 [0,1,0,0,0,1|1,0,0]=3 3416 B9R1.1 Cc1cnc(CO)nc1 Amb21963539 [0,1,0,0,0,1|1,0,0]=3 3417 B9R1.1 Cc1cnc(CS)cn1 Amb33378837 [0,1,0,0,0,1|1,1,0]=4 3418 B9R1.1 Cc1ncc(CO)cn1 Amb8397258 [0,1,0,0,0,1|2,0,0]=4 3419 B9R1.1 ClCc1ccc(Br)cc1 Amb535681 [0,1,0,0,0,1|2,0,0]=4 3420 B9R1.1 ClCc1ccc(Br)cn1 Amb19373716 [0,1,0,0,0,1|2,0,0]=4 3421 B9R1.1 ClCc1ccc(Br)cn1 Amb19515838 [0,1,0,0,0,1|2,0,0]=4 3422 B9R1.1 ClCc1ccc(Br)nc1 Amb22500143 [0,1,0,0,0,1|2,0,0]=4 3423 B9R1.1 ClCc1ccc(Br)nc1 Amb22500149 [0,1,0,0,0,1|2,0,0]=4 3424 B9R1.1 ClCc1ccc(Cl)cc1 Amb6364749 [0,1,0,0,0,1|2,0,0]=4 3425 B9R1.1 ClCc1ccc(Cl)cn1 Amb13882788 [0,1,0,0,0,1|2,0,0]=4 3426 B9R1.1 ClCc1ccc(Cl)cn1 Amb19895169 [0,1,0,0,0,1|2,0,0]=4 3427 B9R1.1 ClCc1ccc(Cl)nc1 Amb1928595 [0,1,0,0,0,1|2,0,0]=4 3428 B9R1.1 ClCc1ccc(Cl)nc1 Amb22500029 [0,1,0,0,0,1|2,0,0]=4 3429 B9R1.1 ClCc1ccc(Cl)nn1 Amb20620670 [0,1,0,0,0,1|2,0,0]=4 3430 B9R1.1 ClCc1ccc(Cl)nn1 Amb22274064 [0,1,0,0,0,1|2,0,0]=4 3431 B9R1.1 ClCc1ccc(I)cc1 Amb2609575 [0,1,0,0,0,1|2,0,0]=4 3432 B9R1.1 ClCc1ccc(I)cn1 Amb23399976 [0,1,0,0,0,1|2,0,0]=4 3433 B9R1.1 ClCc1cnc(Cl)cn1 Amb22001664 [0,1,0,0,0,1|2,0,0]=4 3434 B9R1.1 ClCc1ncc(Br)cn1 Amb20241418 [0,1,0,0,0,1|2,0,0]=4 3435 B9R1.1 ClCc1ncc(Cl)cn1 Amb24183454 [0,1,0,0,0,1|2,0,0]=4 3436 B9R1.1 ClCc1ncc(Cl)cn1 Amb33544033 [0,1,0,0,0,1|2,0,0]=4 3437 B9R1.1 Clc1ccc(CBr)cc1 Amb2685773 [0,1,0,0,0,1|2,0,0]=4 3438 B9R1.1 Clc1ccc(CBr)cn1 Amb10602791 [0,1,0,0,0,1|2,0,0]=4 3439 B9R1.1 Clc1ccc(CBr)cn1 Amb22001671 [0,1,0,0,0,1|2,0,0]=4 3440 B9R1.1 Clc1ccc(CBr)nc1 Amb22001697 [0,1,0,0,0,1|2,0,0]=4 3441 B9R1.1 Clc1ccc(CBr)nc1 Amb22492484 [0,1,0,0,0,1|2,0,0]=4 3442 B9R1.1 Clc1ccc(CBr)nn1 Amb22274040 [0,1,0,0,0,1|2,0,0]=4 3443 B9R1.1 Clc1ccc(CI)cc1 Amb10552723 [0,1,0,0,0,1|2,0,0]=4 3444 B9R1.1 Clc1cnc(CBr)cn1 Amb27438590 [0,1,0,0,0,1|2,0,0]=4 3445 B9R1.1 Clc1cnc(CI)cn1 Amb27209308 [0,1,0,0,0,1|2,0,0]=4 3446 B9R1.1 FCc1ccc(Br)cc1 Amb22886704 [0,1,0,0,0,1|2,0,0]=4 3447 B9R1.1 FCc1ccc(Br)cn1 Amb28206264 [0,1,0,0,0,1|2,0,0]=4 3448 B9R1.1 FCc1ccc(F)nc1 Amb35789209 [0,1,0,0,0,1|2,0,0]=4 3449 B9R1.1 Fc1ccc(CBr)cc1 Amb432269 [0,1,0,0,0,1|2,0,0]=4 3450 B9R1.1 Fc1ccc(CBr)cn1 Amb10840577 [0,1,0,0,0,1|2,0,0]=4 3451 B9R1.1 Fc1ccc(CBr)nc1 Amb10606379 [0,1,0,0,0,1|2,0,0]=4 3452 B9R1.1 Fc1ccc(CBr)nc1 Amb6308298 [0,1,0,0,0,1|2,0,0]=4 3453 B9R1.1 Fc1ccc(CCl)cc1 Amb6364745 [0,1,0,0,0,1|2,0,0]=4 3454 B9R1.1 Fc1ccc(CCl)cn1 Amb22406083 [0,1,0,0,0,1|2,0,0]=4 3455 B9R1.1 Fc1ccc(CCl)nc1 Amb23401203 [0,1,0,0,0,1|2,0,0]=4 3456 B9R1.1 Fc1ccc(CCl)nc1 Amb33038233 [0,1,0,0,0,1|2,0,0]=4 3457 B9R1.1 Fc1ccc(CI)cc1 Amb23571307 [0,1,0,0,0,1|2,0,0]=4 3458 B9R1.1 Fc1ccc(CI)cn1 Amb27461838 [0,1,0,0,0,1|2,0,0]=4 3459 B9R1.1 Fc1ccc(CS)cc1 Amb2688054 [0,1,0,0,0,1|1,1,0]=4 3460 B9R1.1 Fc1ccc(CS)cn1 Amb33425101 [0,1,0,0,0,1|1,1,0]=4 3461 B9R1.1 Fc1ccc(CS)nc1 Amb26482888 [0,1,0,0,0,1|1,1,0]=4 3462 B9R1.1 Fc1cnc(CBr)nc1 Amb26425008 [0,1,0,0,0,1|2,0,0]=4 3463 B9R1.1 Fc1cnc(CCl)nc1 Amb22496140 [0,1,0,0,0,1|2,0,0]=4 3464 B9R1.1 Fc1cnc(CCl)nc1 Amb31028899 [0,1,0,0,0,1|2,0,0]=4 3465 B9R1.1 N#CC1=COC(=O)C=C1 Amb22304830 [0,1,0,0,0,1|1,0,1]=4 3466 B9R1.1 NCC1=CNC(=O)C=C1 Amb18024213 [0,1,0,0,0,1|2,0,0]=4 3467 B9R1.1 NCC1=CNC(=O)C=C1 Amb19929382 [0,1,0,0,0,1|2,0,0]=4 3468 B9R1.1 NCC1=CNC(=O)C=C1 Amb22490775 [0,1,0,0,0,1|2,0,0]=4 3469 B9R1.1 NCC1=CNC(=O)C=N1 Amb18251091 [0,1,0,0,0,1|2,0,0]=4 3470 B9R1.1 NCC1=CNC(=S)C=C1 Amb18251217 [0,1,0,0,0,1|2,0,0]=4 3471 B9R1.1 NCC1=NNC(=O)C=C1 Amb18848291 [0,1,0,0,0,1|2,0,0]=4 3472 B9R1.1 NCC1=NNC(=O)C=C1 Amb28935014 [0,1,0,0,0,1|2,0,0]=4 3473 B9R1.1 NCc1cc[n+]([O-])cc1 Amb25090606 [0,1,0,0,0,1|2,0,0]=4 3474 B9R1.1 NCc1ccc(Br)cc1 Amb1113965 [0,1,0,0,0,1|2,0,0]=4 3475 B9R1.1 NCc1ccc(Br)cc1 Amb2684958 [0,1,0,0,0,1|2,0,0]=4 3476 B9R1.1 NCc1ccc(Br)cn1 Amb22495640 [0,1,0,0,0,1|2,0,0]=4 3477 B9R1.1 NCc1ccc(Br)cn1 Amb22495846 [0,1,0,0,0,1|2,0,0]=4 3478 B9R1.1 NCc1ccc(Br)cn1 Amb33540702 [0,1,0,0,0,1|2,0,0]=4 3479 B9R1.1 NCc1ccc(Br)nc1 Amb13890447 [0,1,0,0,0,1|2,0,0]=4 3480 B9R1.1 NCc1ccc(Br)nc1 Amb21857057 [0,1,0,0,0,1|2,0,0]=4 3481 B9R1.1 NCc1ccc(Cl)cc1 Amb1672014 [0,1,0,0,0,1|2,0,0]=4 3482 B9R1.1 NCc1ccc(Cl)cc1 Amb24066020 [0,1,0,0,0,1|2,0,0]=4 3483 B9R1.1 NCc1ccc(Cl)cn1 Amb13890636 [0,1,0,0,0,1|2,0,0]=4 3484 B9R1.1 NCc1ccc(Cl)cn1 Amb16185837 [0,1,0,0,0,1|2,0,0]=4 3485 B9R1.1 NCc1ccc(Cl)cn1 Amb21927707 [0,1,0,0,0,1|2,0,0]=4 3486 B9R1.1 NCc1ccc(Cl)nc1 Amb19514819 [0,1,0,0,0,1|2,0,0]=4 3487 B9R1.1 NCc1ccc(Cl)nc1 Amb6892087 [0,1,0,0,0,1|2,0,0]=4 3488 B9R1.1 NCc1ccc(Cl)nn1 Amb18908381 [0,1,0,0,0,1|2,0,0]=4 3489 B9R1.1 NCc1ccc(F)cc1 Amb4037037 [0,1,0,0,0,1|2,0,0]=4 3490 B9R1.1 NCc1ccc(F)cc1 Amb535713 [0,1,0,0,0,1|2,0,0]=4 3491 B9R1.1 NCc1ccc(F)cn1 Amb20669476 [0,1,0,0,0,1|2,0,0]=4 3492 B9R1.1 NCc1ccc(F)cn1 Amb22500552 [0,1,0,0,0,1|2,0,0]=4 3493 B9R1.1 NCc1ccc(F)nc1 Amb20247920 [0,1,0,0,0,1|2,0,0]=4 3494 B9R1.1 NCc1ccc(F)nc1 Amb22738776 [0,1,0,0,0,1|2,0,0]=4 3495 B9R1.1 NCc1ccc(I)cc1 Amb3941391 [0,1,0,0,0,1|2,0,0]=4 3496 B9R1.1 NCc1ccc(I)cc1 Amb9786784 [0,1,0,0,0,1|2,0,0]=4 3497 B9R1.1 NCc1ccc(I)cn1 Amb25365536 [0,1,0,0,0,1|2,0,0]=4 3498 B9R1.1 NCc1ccc(N)cc1 Amb19143935 [0,1,0,0,0,1|2,0,0]=4 3499 B9R1.1 NCc1ccc(N)cc1 Amb6315805 [0,1,0,0,0,1|2,0,0]=4 3500 B9R1.1 NCc1ccc(N)cc1 Amb6844501 [0,1,0,0,0,1|2,0,0]=4 3501 B9R1.1 NCc1ccc(N)cn1 Amb23401800 [0,1,0,0,0,1|2,0,0]=4 3502 B9R1.1 NCc1ccc(N)cn1 Amb8386686 [0,1,0,0,0,1|2,0,0]=4 3503 B9R1.1 NCc1ccc(N)nc1 Amb23401797 [0,1,0,0,0,1|2,0,0]=4 3504 B9R1.1 NCc1ccc(N)nc1 Amb32729410 [0,1,0,0,0,1|2,0,0]=4 3505 B9R1.1 NCc1ccc(N)nc1 Amb33529581 [0,1,0,0,0,1|2,0,0]=4 3506 B9R1.1 NCc1ccc(O)cc1 Amb1117538 [0,1,0,0,0,1|2,0,0]=4 3507 B9R1.1 NCc1ccc(O)cc1 Amb2688735 [0,1,0,0,0,1|2,0,0]=4 3508 B9R1.1 NCc1ccc(O)cc1 Amb30640052 [0,1,0,0,0,1|2,0,0]=4 3509 B9R1.1 NCc1ccc(O)cc1 Amb6892133 [0,1,0,0,0,1|2,0,0]=4 3510 B9R1.1 NCc1ccc(O)cn1 Amb19895109 [0,1,0,0,0,1|2,0,0]=4 3511 B9R1.1 NCc1ccc(O)cn1 Amb25733596 [0,1,0,0,0,1|2,0,0]=4 3512 B9R1.1 NCc1ccc(O)cn1 Amb33483854 [0,1,0,0,0,1|2,0,0]=4 3513 B9R1.1 NCc1ccc(O)nc1 Amb19432844 [0,1,0,0,0,1|2,0,0]=4 3514 B9R1.1 NCc1ccc(O)nc1 Amb8855140 [0,1,0,0,0,1|2,0,0]=4 3515 B9R1.1 NCc1ccc(S)cc1 Amb25869884 [0,1,0,0,0,1|2,0,0]=4 3516 B9R1.1 NCc1ccc(S)cc1 Amb33328783 [0,1,0,0,0,1|2,0,0]=4 3517 B9R1.1 NCc1cnc(Br)cn1 Amb18188881 [0,1,0,0,0,1|2,0,0]=4 3518 B9R1.1 NCc1cnc(Cl)cn1 Amb21927832 [0,1,0,0,0,1|2,0,0]=4 3519 B9R1.1 NCc1cnc(Cl)cn1 Amb23412041 [0,1,0,0,0,1|2,0,0]=4 3520 B9R1.1 NCc1cnc(Cl)cn1 Amb33544063 [0,1,0,0,0,1|2,0,0]=4 3521 B9R1.1 NCc1cnc(O)cn1 Amb32674652 [0,1,0,0,0,1|2,0,0]=4 3522 B9R1.1 NCc1cnc(O)cn1 Amb32683478 [0,1,0,0,0,1|2,0,0]=4 3523 B9R1.1 NCc1ncc(Br)cn1 Amb22001494 [0,1,0,0,0,1|2,0,0]=4 3524 B9R1.1 NCc1ncc(Br)cn1 Amb22501139 [0,1,0,0,0,1|2,0,0]=4 3525 B9R1.1 NCc1ncc(Br)cn1 Amb22757320 [0,1,0,0,0,1|2,0,0]=4 3526 B9R1.1 NCc1ncc(Cl)cn1 Amb18908379 [0,1,0,0,0,1|2,0,0]=4 3527 B9R1.1 NCc1ncc(Cl)cn1 Amb22587399 [0,1,0,0,0,1|2,0,0]=4 3528 B9R1.1 NCc1ncc(F)cn1 Amb22752864 [0,1,0,0,0,1|2,0,0]=4 3529 B9R1.1 NCc1ncc(F)cn1 Amb22899635 [0,1,0,0,0,1|2,0,0]=4 3530 B9R1.1 NCc1ncc(F)cn1 Amb23440541 [0,1,0,0,0,1|2,0,0]=4 3531 B9R1.1 NCc1ncc(N)cn1 Amb23412491 [0,1,0,0,0,1|2,0,0]=4 3532 B9R1.1 N[n+]1ccc(C[O-])cc1 Amb27601372 [0,1,0,0,0,1|1,0,1]=4 3533 B9R1.1 Nc1ccc(CBr)cc1 Amb18649220 [0,1,0,0,0,1|2,0,0]=4 3534 B9R1.1 Nc1ccc(CBr)cn1 Amb33329365 [0,1,0,0,0,1|2,0,0]=4 3535 B9R1.1 Nc1ccc(CCl)cc1 Amb17477836 [0,1,0,0,0,1|2,0,0]=4 3536 B9R1.1 Nc1ccc(CCl)cn1 Amb20247806 [0,1,0,0,0,1|2,0,0]=4 3537 B9R1.1 Nc1ccc(CCl)cn1 Amb33483593 [0,1,0,0,0,1|2,0,0]=4 3538 B9R1.1 Nc1ccc(CCl)nc1 Amb20242740 [0,1,0,0,0,1|2,0,0]=4 3539 B9R1.1 Nc1ccc(CCl)nn1 Amb25146048 [0,1,0,0,0,1|2,0,0]=4 3540 B9R1.1 Nc1ccc(CCl)nn1 Amb32671396 [0,1,0,0,0,1|2,0,0]=4 3541 B9R1.1 Nc1ccc(CI)cn1 Amb27859236 [0,1,0,0,0,1|2,0,0]=4 3542 B9R1.1 Nc1ccc(CO)cc1 Amb4605845 [0,1,0,0,0,1|1,0,0]=3 3543 B9R1.1 Nc1ccc(CO)cn1 Amb2699139 [0,1,0,0,0,1|1,0,0]=3 3544 B9R1.1 Nc1ccc(CO)nc1 Amb8386685 [0,1,0,0,0,1|1,0,0]=3 3545 B9R1.1 Nc1ccc(CO)nn1 Amb27440764 [0,1,0,0,0,1|1,0,0]=3 3546 B9R1.1 Nc1ccc(CO)nn1 Amb30585184 [0,1,0,0,0,1|1,0,0]=3 3547 B9R1.1 Nc1ccc(CS)cc1 Amb17498635 [0,1,0,0,0,1|1,1,0]=4 3548 B9R1.1 Nc1ccc(NO)cc1 Amb27413828 [0,1,0,0,0,1|2,0,0]=4 3549 B9R1.1 Nc1ccc(SO)cc1 Amb27644780 [0,1,0,0,0,1|2,0,0]=4 3550 B9R1.1 Nc1cnc(CCl)nc1 Amb28143025 [0,1,0,0,0,1|2,0,0]=4 3551 B9R1.1 Nc1cnc(CO)cn1 Amb20668964 [0,1,0,0,0,1|1,0,0]=3 3552 B9R1.1 Nc1cnc(CO)nc1 Amb23412490 [0,1,0,0,0,1|1,0,0]=3 3553 B9R1.1 Nc1ncc(CO)cn1 Amb8630061 [0,1,0,0,0,1|2,0,0]=4 3554 B9R1.1 O=C1C=CC(=NO)C=C1 Amb17608819 [0,1,0,0,0,1|2,0,0]=4 3555 B9R1.1 O=C1C=CC(CBr)=NN1 Amb18848283 [0,1,0,0,0,1|2,0,0]=4 3556 B9R1.1 O=C1C=CC(CCl)=NN1 Amb18848120 [0,1,0,0,0,1|2,0,0]=4 3557 B9R1.1 O=C1C=CC(CO)=CN1 Amb20243253 [0,1,0,0,0,1|1,0,0]=3 3558 B9R1.1 O=C1C=CC(CO)=CO1 Amb25835811 [0,1,0,0,0,1|0,0,0]=2 3559 B9R1.1 O=C1C=CC(CO)=NN1 Amb18848567 [0,1,0,0,0,1|1,0,0]=3 3560 B9R1.1 O=C1C=C[C@@H](CO)CC1 Amb27838659 [0,1,0,0,0,1|1,0,1]=4 3561 B9R1.1 O=C1CC=C(CO)CC1 Amb28253672 [0,1,0,0,0,1|1,0,1]=4 3562 B9R1.1 OCC1C=C=C(O)C=C1 Amb27206728 [0,1,0,0,0,1|1,0,1]=4 3563 B9R1.1 OCc1ccc(Br)cc1 Amb3939087 [0,1,0,0,0,1|1,0,0]=3 3564 B9R1.1 OCc1ccc(Br)cn1 Amb20241980 [0,1,0,0,0,1|1,0,0]=3 3565 B9R1.1 OCc1ccc(Br)cn1 Amb2725040 [0,1,0,0,0,1|1,0,0]=3 3566 B9R1.1 OCc1ccc(Br)nc1 Amb8396845 [0,1,0,0,0,1|1,0,0]=3 3567 B9R1.1 OCc1ccc(Cl)cc1 Amb837320 [0,1,0,0,0,1|1,0,0]=3 3568 B9R1.1 OCc1ccc(Cl)cn1 Amb10975423 [0,1,0,0,0,1|1,0,0]=3 3569 B9R1.1 OCc1ccc(Cl)nc1 Amb3428032 [0,1,0,0,0,1|1,0,0]=3 3570 B9R1.1 OCc1ccc(Cl)nn1 Amb21857536 [0,1,0,0,0,1|1,0,0]=3 3571 B9R1.1 OCc1ccc(Cl)nn1 Amb32990138 [0,1,0,0,0,1|1,0,0]=3 3572 B9R1.1 OCc1ccc(F)cc1 Amb837490 [0,1,0,0,0,1|1,0,0]=3 3573 B9R1.1 OCc1ccc(F)cn1 Amb6308297 [0,1,0,0,0,1|1,0,0]=3 3574 B9R1.1 OCc1ccc(F)nc1 Amb8394588 [0,1,0,0,0,1|1,0,0]=3 3575 B9R1.1 OCc1ccc(I)cc1 Amb837382 [0,1,0,0,0,1|1,0,0]=3 3576 B9R1.1 OCc1ccc(I)cn1 Amb23441249 [0,1,0,0,0,1|1,0,0]=3 3577 B9R1.1 OCc1ccc(I)nc1 Amb23446974 [0,1,0,0,0,1|1,0,0]=3 3578 B9R1.1 OCc1ccc(O)cc1 Amb6365572 [0,1,0,0,0,1|1,0,0]=3 3579 B9R1.1 OCc1ccc(O)cn1 Amb18642263 [0,1,0,0,0,1|1,0,0]=3 3580 B9R1.1 OCc1ccc(O)nc1 Amb8397234 [0,1,0,0,0,1|1,0,0]=3 3581 B9R1.1 OCc1ccc(S)cc1 Amb16192940 [0,1,0,0,0,1|1,0,0]=3 3582 B9R1.1 OCc1cnc(Br)cn1 Amb18190294 [0,1,0,0,0,1|1,0,0]=3 3583 B9R1.1 OCc1cnc(Br)nc1 Amb24678339 [0,1,0,0,0,1|2,0,0]=4 3584 B9R1.1 OCc1cnc(Cl)cn1 Amb10067216 [0,1,0,0,0,1|1,0,0]=3 3585 B9R1.1 OCc1cnc(Cl)nc1 Amb21963487 [0,1,0,0,0,1|2,0,0]=4 3586 B9R1.1 OCc1ncc(Br)cn1 Amb21963588 [0,1,0,0,0,1|1,0,0]=3 3587 B9R1.1 OCc1ncc(Cl)cn1 Amb22388585 [0,1,0,0,0,1|1,0,0]=3 3588 B9R1.1 OCc1ncc(F)cn1 Amb22898963 [0,1,0,0,0,1|1,0,0]=3 3589 B9R1.1 ONc1ccc(Cl)cn1 Amb28206696 [0,1,0,0,0,1|2,0,0]=4 3590 B9R1.1 ONc1ccc(F)cc1 Amb27221702 [0,1,0,0,0,1|2,0,0]=4 3591 B9R1.1 ONc1cnc(Cl)cn1 Amb28343557 [0,1,0,0,0,1|2,0,0]=4 3592 B9R1.1 ONc1ncc(Br)cn1 Amb27975729 [0,1,0,0,0,1|2,0,0]=4 3593 B9R1.1 ONc1ncc(Cl)cn1 Amb28040840 [0,1,0,0,0,1|2,0,0]=4 3594 B9R1.1 ONc1ncc(I)cn1 Amb28453513 [0,1,0,0,0,1|2,0,0]=4 3595 B9R1.1 Oc1ccc(CBr)cn1 Amb24400551 [0,1,0,0,0,1|2,0,0]=4 3596 B9R1.1 Oc1ccc(CBr)nc1 Amb22751419 [0,1,0,0,0,1|2,0,0]=4 3597 B9R1.1 Oc1ccc(CCl)nc1 Amb25295363 [0,1,0,0,0,1|2,0,0]=4 3598 B9R1.1 Oc1ccc(CCl)nn1 Amb33484391 [0,1,0,0,0,1|2,0,0]=4 3599 B9R1.1 Oc1ccc(CI)cc1 Amb24400412 [0,1,0,0,0,1|2,0,0]=4 3600 B9R1.1 Oc1ccc(CS)cc1 Amb25782030 [0,1,0,0,0,1|1,1,0]=4 3601 B9R1.1 Oc1ccc(CS)nc1 Amb32788230 [0,1,0,0,0,1|1,1,0]=4 3602 B9R1.1 SCc1ccc(Br)cc1 Amb2691868 [0,1,0,0,0,1|1,1,0]=4 3603 B9R1.1 SCc1ccc(Br)cn1 Amb27452173 [0,1,0,0,0,1|1,1,0]=4 3604 B9R1.1 SCc1ccc(Br)nc1 Amb33389186 [0,1,0,0,0,1|1,1,0]=4 3605 B9R1.1 SCc1ccc(Cl)cc1 Amb6608715 [0,1,0,0,0,1|1,1,0]=4 3606 B9R1.1 SCc1ccc(Cl)cn1 Amb32788148 [0,1,0,0,0,1|1,1,0]=4 3607 B9R1.1 SCc1ccc(Cl)nc1 Amb21984719 [0,1,0,0,0,1|1,1,0]=4 3608 B9R1.1 SCc1ccc(I)cc1 Amb26867779 [0,1,0,0,0,1|1,1,0]=4 3609 B9R1.1 SCc1cnc(Cl)cn1 Amb24718995 [0,1,0,0,0,1|1,1,0]=4 3610 B9R1.1 SCc1ncc(Br)cn1 Amb33335308 [0,1,0,0,0,1|1,1,0]=4 3611 B9R1.1 [NH3+]Cc1ccc(Br)cc1 Amb24113883 [0,1,0,0,0,1|2,0,0]=4 3612 B9R1.1 [NH3+]Cc1ccc(I)cc1 Amb9826939 [0,1,0,0,0,1|2,0,0]=4 3613 B9R1.1 [NH3+]Cc1ccc(O)cc1 Amb17943004 [0,1,0,0,0,1|2,0,0]=4 3614 B9R1.1 [O-][n+]1ccc(CCl)cc1 Amb27247876 [0,1,0,0,0,1|2,0,0]=4 3615 B9R1.1 [O-][n+]1ccc(CO)cc1 Amb8513302 [0,1,0,0,0,1|1,0,0]=3 3616 B9R1.1 [Zn+]Cc1ccc(I)cc1 Amb22367204 [0,1,0,0,0,1|2,0,0]=4 3617 B9R1.2 BrCc1cc(Br)ncn1 Amb25350945 [0,1,0,0,0,1|2,0,0]=4 3618 B9R1.2 BrCc1cccc(Br)c1 Amb2684959 [0,1,0,0,0,1|2,0,0]=4 3619 B9R1.2 BrCc1cccc(Br)n1 Amb23437267 [0,1,0,0,0,1|2,0,0]=4 3620 B9R1.2 BrCc1cccc(Br)n1 Amb8386705 [0,1,0,0,0,1|2,0,0]=4 3621 B9R1.2 BrCc1cccc(I)c1 Amb2688843 [0,1,0,0,0,1|2,0,0]=4 3622 B9R1.2 BrCc1ccnc(Br)c1 Amb20618622 [0,1,0,0,0,1|2,0,0]=4 3623 B9R1.2 BrCc1ccnc(Br)c1 Amb22233776 [0,1,0,0,0,1|2,0,0]=4 3624 B9R1.2 BrCc1ccnc(Br)c1 Amb22497616 [0,1,0,0,0,1|2,0,0]=4 3625 B9R1.2 BrCc1ccnc(Br)n1 Amb25889775 [0,1,0,0,0,1|2,0,0]=4 3626 B9R1.2 BrCc1cncc(Br)c1 Amb32718790 [0,1,0,0,0,1|2,0,0]=4 3627 B9R1.2 BrCc1cncc(Br)n1 Amb27843652 [0,1,0,0,0,1|2,0,0]=4 3628 B9R1.2 BrCc1nccc(Br)n1 Amb26952496 [0,1,0,0,0,1|2,0,0]=4 3629 B9R1.2 Brc1cc(CI)ccn1 Amb27193894 [0,1,0,0,0,1|2,0,0]=4 3630 B9R1.2 Brc1cccc(CI)n1 Amb20248558 [0,1,0,0,0,1|2,0,0]=4 3631 B9R1.2 CC1=CCC=C(CS)N1 Amb28314548 [0,1,0,0,0,1|1,1,0]=4 3632 B9R1.2 CC1=CCO[C@H](CO)C1 Amb27980482 [0,1,0,0,0,1|0,0,2]=4 3633 B9R1.2 CCC1=CC(=O)NC=N1 Amb22058903 [0,1,0,0,0,1|2,0,0]=4 3634 B9R1.2 CCC1=CC=CC(=S)N1 Amb35707039 [0,1,0,0,0,1|2,0,0]=4 3635 B9R1.2 CCC1=CN=CC(=S)N1 Amb35707041 [0,1,0,0,0,1|2,0,0]=4 3636 B9R1.2 CCC1=NC=CC(=O)N1 Amb22829910 [0,1,0,0,0,1|2,0,0]=4 3637 B9R1.2 CCC1CC(=O)C=CO1 Amb28076224 [0,1,0,0,0,1|1,0,1]=4 3638 B9R1.2 CCC1CC=CC(=O)O1 Amb27480728 [0,1,0,0,0,1|1,0,1]=4 3639 B9R1.2 CCc1cc(Br)ccn1 Amb10599855 [0,1,0,0,0,1|2,0,0]=4 3640 B9R1.2 CCc1cc(Br)ncn1 Amb10600009 [0,1,0,0,0,1|2,0,0]=4 3641 B9R1.2 CCc1cc(Cl)ccn1 Amb10599875 [0,1,0,0,0,1|2,0,0]=4 3642 B9R1.2 CCc1cc(Cl)ncn1 Amb9174457 [0,1,0,0,0,1|2,0,0]=4 3643 B9R1.2 CCc1cc(F)ncn1 Amb25921915 [0,1,0,0,0,1|2,0,0]=4 3644 B9R1.2 CCc1cc(I)ccn1 Amb25876593 [0,1,0,0,0,1|2,0,0]=4 3645 B9R1.2 CCc1cc(N)ccn1 Amb10599877 [0,1,0,0,0,1|2,0,0]=4 3646 B9R1.2 CCc1cc(N)ncn1 Amb10600010 [0,1,0,0,0,1|2,0,0]=4 3647 B9R1.2 CCc1cc(O)ccn1 Amb10599878 [0,1,0,0,0,1|2,0,0]=4 3648 B9R1.2 CCc1cc(O)ncn1 Amb9174444 [0,1,0,0,0,1|2,0,0]=4 3649 B9R1.2 CCc1cc(S)ccn1 Amb24334345 [0,1,0,0,0,1|2,0,0]=4 3650 B9R1.2 CCc1cc(S)ncn1 Amb25291321 [0,1,0,0,0,1|2,0,0]=4 3651 B9R1.2 CCc1ccc[n+]([O-])c1 Amb21963682 [0,1,0,0,0,1|2,0,0]=4 3652 B9R1.2 CCc1cccc(Br)c1 Amb2691840 [0,1,0,0,0,1|2,0,0]=4 3653 B9R1.2 CCc1cccc(Br)n1 Amb10599852 [0,1,0,0,0,1|2,0,0]=4 3654 B9R1.2 CCc1cccc(C)c1 Amb9787670 [0,1,0,0,0,1|2,0,0]=4 3655 B9R1.2 CCc1cccc(C)n1 Amb2722908 [0,1,0,0,0,1|2,0,0]=4 3656 B9R1.2 CCc1cccc(Cl)c1 Amb20620699 [0,1,0,0,0,1|2,0,0]=4 3657 B9R1.2 CCc1cccc(F)c1 Amb22235099 [0,1,0,0,0,1|2,0,0]=4 3658 B9R1.2 CCc1cccc(F)n1 Amb24319184 [0,1,0,0,0,1|2,0,0]=4 3659 B9R1.2 CCc1cccc(N)c1 Amb3939774 [0,1,0,0,0,1|2,0,0]=4 3660 B9R1.2 CCc1cccc(N)n1 Amb3428616 [0,1,0,0,0,1|2,0,0]=4 3661 B9R1.2 CCc1cccc(O)c1 Amb3938975 [0,1,0,0,0,1|2,0,0]=4 3662 B9R1.2 CCc1cccc(O)n1 Amb10599854 [0,1,0,0,0,1|2,0,0]=4 3663 B9R1.2 CCc1cccc(S)c1 Amb26627381 [0,1,0,0,0,1|2,0,0]=4 3664 B9R1.2 CCc1ccnc(Br)c1 Amb8394836 [0,1,0,0,0,1|2,0,0]=4 3665 B9R1.2 CCc1ccnc(Br)n1 Amb13884145 [0,1,0,0,0,1|2,0,0]=4 3666 B9R1.2 CCc1ccnc(Cl)c1 Amb17610909 [0,1,0,0,0,1|2,0,0]=4 3667 B9R1.2 CCc1ccnc(Cl)n1 Amb13884430 [0,1,0,0,0,1|2,0,0]=4 3668 B9R1.2 CCc1ccnc(N)c1 Amb3428615 [0,1,0,0,0,1|2,0,0]=4 3669 B9R1.2 CCc1ccnc(N)n1 Amb13884389 [0,1,0,0,0,1|2,0,0]=4 3670 B9R1.2 CCc1ccnc(O)c1 Amb10600168 [0,1,0,0,0,1|2,0,0]=4 3671 B9R1.2 CCc1ccnc(O)n1 Amb13884390 [0,1,0,0,0,1|2,0,0]=4 3672 B9R1.2 CCc1ccnc(S)n1 Amb24648960 [0,1,0,0,0,1|2,0,0]=4 3673 B9R1.2 CCc1cncc(Br)c1 Amb16230979 [0,1,0,0,0,1|2,0,0]=4 3674 B9R1.2 CCc1cncc(Br)n1 Amb10600309 [0,1,0,0,0,1|2,0,0]=4 3675 B9R1.2 CCc1cncc(C)n1 Amb28285243 [0,1,0,0,0,1|2,0,0]=4 3676 B9R1.2 CCc1cncc(Cl)c1 Amb24644636 [0,1,0,0,0,1|2,0,0]=4 3677 B9R1.2 CCc1cncc(Cl)n1 Amb27950189 [0,1,0,0,0,1|2,0,0]=4 3678 B9R1.2 CCc1cncc(N)c1 Amb18832981 [0,1,0,0,0,1|2,0,0]=4 3679 B9R1.2 CCc1cncc(N)n1 Amb10600311 [0,1,0,0,0,1|2,0,0]=4 3680 B9R1.2 CCc1cncc(O)c1 Amb20617462 [0,1,0,0,0,1|2,0,0]=4 3681 B9R1.2 CCc1cncc(O)n1 Amb10600312 [0,1,0,0,0,1|2,0,0]=4 3682 B9R1.2 CCc1cncc(S)c1 Amb33276294 [0,1,0,0,0,1|2,0,0]=4 3683 B9R1.2 CCc1nccc(Br)n1 Amb10599359 [0,1,0,0,0,1|2,0,0]=4 3684 B9R1.2 CCc1nccc(Cl)n1 Amb33532360 [0,1,0,0,0,1|2,0,0]=4 3685 B9R1.2 CCc1nccc(N)n1 Amb10599361 [0,1,0,0,0,1|2,0,0]=4 3686 B9R1.2 CCc1nccc(O)n1 Amb10599362 [0,1,0,0,0,1|2,0,0]=4 3687 B9R1.2 COC1=CC(=O)C=CO1 Amb28245112 [0,1,0,0,0,1|2,0,0]=4 3688 B9R1.2 C[n+]1cccc(CO)c1 Amb10573217 [0,1,0,0,0,1|1,0,0]=3 3689 B9R1.2 Cc1cc(CBr)ccn1 Amb20671017 [0,1,0,0,0,1|2,0,0]=4 3690 B9R1.2 Cc1cc(CBr)ccn1 Amb22386862 [0,1,0,0,0,1|2,0,0]=4 3691 B9R1.2 Cc1cc(CCl)ccn1 Amb22304816 [0,1,0,0,0,1|2,0,0]=4 3692 B9R1.2 Cc1cc(CCl)ccn1 Amb22587514 [0,1,0,0,0,1|2,0,0]=4 3693 B9R1.2 Cc1cc(CCl)ncn1 Amb30594082 [0,1,0,0,0,1|2,0,0]=4 3694 B9R1.2 Cc1cc(CCl)ncn1 Amb33540135 [0,1,0,0,0,1|2,0,0]=4 3695 B9R1.2 Cc1cc(CI)ccn1 Amb27612897 [0,1,0,0,0,1|2,0,0]=4 3696 B9R1.2 Cc1cc(CN)ccn1 Amb22235873 [0,1,0,0,0,1|2,0,0]=4 3697 B9R1.2 Cc1cc(CN)ccn1 Amb33542706 [0,1,0,0,0,1|2,0,0]=4 3698 B9R1.2 Cc1cc(CN)ncn1 Amb17072861 [0,1,0,0,0,1|2,0,0]=4 3699 B9R1.2 Cc1cc(CN)ncn1 Amb30982608 [0,1,0,0,0,1|2,0,0]=4 3700 B9R1.2 Cc1cc(CO)ccn1 Amb10067646 [0,1,0,0,0,1|1,0,0]=3 3701 B9R1.2 Cc1cc(CO)ncn1 Amb22059114 [0,1,0,0,0,1|1,0,0]=3 3702 B9R1.2 Cc1cc(CS)ccn1 Amb32788053 [0,1,0,0,0,1|1,1,0]=4 3703 B9R1.2 Cc1cc(NO)ncn1 Amb27394979 [0,1,0,0,0,1|2,0,0]=4 3704 B9R1.2 Cc1cccc(CBr)c1 Amb2601054 [0,1,0,0,0,1|2,0,0]=4 3705 B9R1.2 Cc1cccc(CBr)n1 Amb21857068 [0,1,0,0,0,1|2,0,0]=4 3706 B9R1.2 Cc1cccc(CBr)n1 Amb9769234 [0,1,0,0,0,1|2,0,0]=4 3707 B9R1.2 Cc1cccc(CCl)c1 Amb2792915 [0,1,0,0,0,1|2,0,0]=4 3708 B9R1.2 Cc1cccc(CCl)n1 Amb16234122 [0,1,0,0,0,1|2,0,0]=4 3709 B9R1.2 Cc1cccc(CCl)n1 Amb2592508 [0,1,0,0,0,1|2,0,0]=4 3710 B9R1.2 Cc1cccc(CF)c1 Amb22232791 [0,1,0,0,0,1|2,0,0]=4 3711 B9R1.2 Cc1cccc(CF)n1 Amb27590322 [0,1,0,0,0,1|2,0,0]=4 3712 B9R1.2 Cc1cccc(CN)c1 Amb1116222 [0,1,0,0,0,1|2,0,0]=4 3713 B9R1.2 Cc1cccc(CN)n1 Amb20669074 [0,1,0,0,0,1|2,0,0]=4 3714 B9R1.2 Cc1cccc(CN)n1 Amb21857709 [0,1,0,0,0,1|2,0,0]=4 3715 B9R1.2 Cc1cccc(CN)n1 Amb2592509 [0,1,0,0,0,1|2,0,0]=4 3716 B9R1.2 Cc1cccc(CO)c1 Amb837250 [0,1,0,0,0,1|1,0,0]=3 3717 B9R1.2 Cc1cccc(CO)n1 Amb24063802 [0,1,0,0,0,1|1,0,0]=3 3718 B9R1.2 Cc1cccc(CO)n1 Amb2725366 [0,1,0,0,0,1|1,0,0]=3 3719 B9R1.2 Cc1cccc(CS)c1 Amb2726200 [0,1,0,0,0,1|1,1,0]=4 3720 B9R1.2 Cc1cccc(CS)n1 Amb25140122 [0,1,0,0,0,1|1,1,0]=4 3721 B9R1.2 Cc1ccnc(CBr)c1 Amb22298607 [0,1,0,0,0,1|2,0,0]=4 3722 B9R1.2 Cc1ccnc(CBr)c1 Amb22498570 [0,1,0,0,0,1|2,0,0]=4 3723 B9R1.2 Cc1ccnc(CCl)c1 Amb19958924 [0,1,0,0,0,1|2,0,0]=4 3724 B9R1.2 Cc1ccnc(CCl)c1 Amb8386834 [0,1,0,0,0,1|2,0,0]=4 3725 B9R1.2 Cc1ccnc(CCl)n1 Amb21856106 [0,1,0,0,0,1|2,0,0]=4 3726 B9R1.2 Cc1ccnc(CF)n1 Amb27862179 [0,1,0,0,0,1|2,0,0]=4 3727 B9R1.2 Cc1ccnc(CN)c1 Amb16185808 [0,1,0,0,0,1|2,0,0]=4 3728 B9R1.2 Cc1ccnc(CN)c1 Amb22587020 [0,1,0,0,0,1|2,0,0]=4 3729 B9R1.2 Cc1ccnc(CN)c1 Amb8010866 [0,1,0,0,0,1|2,0,0]=4 3730 B9R1.2 Cc1ccnc(CN)n1 Amb22587683 [0,1,0,0,0,1|2,0,0]=4 3731 B9R1.2 Cc1ccnc(CN)n1 Amb22886407 [0,1,0,0,0,1|2,0,0]=4 3732 B9R1.2 Cc1ccnc(CN)n1 Amb8010517 [0,1,0,0,0,1|2,0,0]=4 3733 B9R1.2 Cc1ccnc(CO)c1 Amb22495046 [0,1,0,0,0,1|1,0,0]=3 3734 B9R1.2 Cc1ccnc(CO)c1 Amb8386835 [0,1,0,0,0,1|1,0,0]=3 3735 B9R1.2 Cc1ccnc(CO)n1 Amb22276544 [0,1,0,0,0,1|1,0,0]=3 3736 B9R1.2 Cc1ccnc(CS)c1 Amb33317783 [0,1,0,0,0,1|1,1,0]=4 3737 B9R1.2 Cc1ccnc(NO)n1 Amb27485301 [0,1,0,0,0,1|2,0,0]=4 3738 B9R1.2 Cc1cncc(CBr)c1 Amb15694776 [0,1,0,0,0,1|2,0,0]=4 3739 B9R1.2 Cc1cncc(CBr)c1 Amb22498080 [0,1,0,0,0,1|2,0,0]=4 3740 B9R1.2 Cc1cncc(CCl)c1 Amb10068351 [0,1,0,0,0,1|2,0,0]=4 3741 B9R1.2 Cc1cncc(CCl)c1 Amb16234123 [0,1,0,0,0,1|2,0,0]=4 3742 B9R1.2 Cc1cncc(CCl)n1 Amb22491419 [0,1,0,0,0,1|2,0,0]=4 3743 B9R1.2 Cc1cncc(CN)c1 Amb20247922 [0,1,0,0,0,1|2,0,0]=4 3744 B9R1.2 Cc1cncc(CN)c1 Amb22886409 [0,1,0,0,0,1|2,0,0]=4 3745 B9R1.2 Cc1cncc(CN)n1 Amb18832951 [0,1,0,0,0,1|2,0,0]=4 3746 B9R1.2 Cc1cncc(CN)n1 Amb32645839 [0,1,0,0,0,1|2,0,0]=4 3747 B9R1.2 Cc1cncc(CO)c1 Amb16231977 [0,1,0,0,0,1|1,0,0]=3 3748 B9R1.2 Cc1cncc(CS)c1 Amb26412315 [0,1,0,0,0,1|1,1,0]=4 3749 B9R1.2 Cc1cnnc(CCl)c1 Amb30594076 [0,1,0,0,0,1|2,0,0]=4 3750 B9R1.2 Cc1cnnc(CN)c1 Amb24183559 [0,1,0,0,0,1|2,0,0]=4 3751 B9R1.2 Cc1cnnc(CN)c1 Amb24684021 [0,1,0,0,0,1|2,0,0]=4 3752 B9R1.2 Cc1cnnc(CO)c1 Amb24183285 [0,1,0,0,0,1|1,0,0]=3 3753 B9R1.2 Cc1nccc(CBr)n1 Amb28346768 [0,1,0,0,0,1|2,0,0]=4 3754 B9R1.2 Cc1nccc(CCl)n1 Amb19516065 [0,1,0,0,0,1|2,0,0]=4 3755 B9R1.2 Cc1nccc(CN)n1 Amb6892098 [0,1,0,0,0,1|2,0,0]=4 3756 B9R1.2 Cc1nccc(CN)n1 Amb8011292 [0,1,0,0,0,1|2,0,0]=4 3757 B9R1.2 Cc1nccc(CO)n1 Amb33540113 [0,1,0,0,0,1|1,0,0]=3 3758 B9R1.2 Cc1nccc(CS)n1 Amb25858020 [0,1,0,0,0,1|1,1,0]=4 3759 B9R1.2 Cc1nccc(NO)n1 Amb27662154 [0,1,0,0,0,1|2,0,0]=4 3760 B9R1.2 ClCc1cc(Br)ccn1 Amb22490723 [0,1,0,0,0,1|2,0,0]=4 3761 B9R1.2 ClCc1cc(Cl)ccn1 Amb21864843 [0,1,0,0,0,1|2,0,0]=4 3762 B9R1.2 ClCc1cc(Cl)ccn1 Amb8386829 [0,1,0,0,0,1|2,0,0]=4 3763 B9R1.2 ClCc1cc(Cl)ncn1 Amb22295978 [0,1,0,0,0,1|2,0,0]=4 3764 B9R1.2 ClCc1cccc(Br)c1 Amb3939726 [0,1,0,0,0,1|2,0,0]=4 3765 B9R1.2 ClCc1cccc(Br)n1 Amb20247745 [0,1,0,0,0,1|2,0,0]=4 3766 B9R1.2 ClCc1cccc(Br)n1 Amb23437266 [0,1,0,0,0,1|2,0,0]=4 3767 B9R1.2 ClCc1cccc(Cl)c1 Amb6364755 [0,1,0,0,0,1|2,0,0]=4 3768 B9R1.2 ClCc1cccc(Cl)n1 Amb8386843 [0,1,0,0,0,1|2,0,0]=4 3769 B9R1.2 ClCc1cccc(I)c1 Amb21964340 [0,1,0,0,0,1|2,0,0]=4 3770 B9R1.2 ClCc1ccnc(Br)c1 Amb22495176 [0,1,0,0,0,1|2,0,0]=4 3771 B9R1.2 ClCc1ccnc(Br)c1 Amb22497641 [0,1,0,0,0,1|2,0,0]=4 3772 B9R1.2 ClCc1ccnc(Cl)c1 Amb19375413 [0,1,0,0,0,1|2,0,0]=4 3773 B9R1.2 ClCc1ccnc(Cl)c1 Amb6893890 [0,1,0,0,0,1|2,0,0]=4 3774 B9R1.2 ClCc1ccnc(Cl)n1 Amb19516431 [0,1,0,0,0,1|2,0,0]=4 3775 B9R1.2 ClCc1cncc(Br)c1 Amb6572389 [0,1,0,0,0,1|2,0,0]=4 3776 B9R1.2 ClCc1cncc(Br)c1 Amb8999149 [0,1,0,0,0,1|2,0,0]=4 3777 B9R1.2 ClCc1cncc(Cl)c1 Amb19895015 [0,1,0,0,0,1|2,0,0]=4 3778 B9R1.2 ClCc1cncc(Cl)c1 Amb22295968 [0,1,0,0,0,1|2,0,0]=4 3779 B9R1.2 ClCc1cncc(Cl)n1 Amb25102489 [0,1,0,0,0,1|2,0,0]=4 3780 B9R1.2 ClCc1cncc(I)c1 Amb28245399 [0,1,0,0,0,1|2,0,0]=4 3781 B9R1.2 ClCc1cncc(I)c1 Amb6565112 [0,1,0,0,0,1|2,0,0]=4 3782 B9R1.2 ClCc1nccc(Cl)n1 Amb33544037 [0,1,0,0,0,1|2,0,0]=4 3783 B9R1.2 Clc1cc(CBr)ccn1 Amb20620505 [0,1,0,0,0,1|2,0,0]=4 3784 B9R1.2 Clc1cc(CBr)ccn1 Amb22757508 [0,1,0,0,0,1|2,0,0]=4 3785 B9R1.2 Clc1cccc(CBr)c1 Amb1651063 [0,1,0,0,0,1|2,0,0]=4 3786 B9R1.2 Clc1cccc(CBr)n1 Amb24101199 [0,1,0,0,0,1|2,0,0]=4 3787 B9R1.2 Clc1cccc(CBr)n1 Amb32661811 [0,1,0,0,0,1|2,0,0]=4 3788 B9R1.2 Clc1cccc(CI)c1 Amb23571284 [0,1,0,0,0,1|2,0,0]=4 3789 B9R1.2 Clc1cccc(CI)n1 Amb26943784 [0,1,0,0,0,1|2,0,0]=4 3790 B9R1.2 Clc1ccnc(CBr)c1 Amb26940248 [0,1,0,0,0,1|2,0,0]=4 3791 B9R1.2 Clc1ccnc(CBr)c1 Amb32683328 [0,1,0,0,0,1|2,0,0]=4 3792 B9R1.2 Clc1ccnc(CBr)n1 Amb26352593 [0,1,0,0,0,1|2,0,0]=4 3793 B9R1.2 Clc1cncc(CBr)c1 Amb24085331 [0,1,0,0,0,1|2,0,0]=4 3794 B9R1.2 Clc1cncc(CBr)c1 Amb32667567 [0,1,0,0,0,1|2,0,0]=4 3795 B9R1.2 Clc1cncc(CBr)n1 Amb25995715 [0,1,0,0,0,1|2,0,0]=4 3796 B9R1.2 FCc1cc(Br)ccn1 Amb28195984 [0,1,0,0,0,1|2,0,0]=4 3797 B9R1.2 FCc1cc(Cl)ncn1 Amb26982586 [0,1,0,0,0,1|2,0,0]=4 3798 B9R1.2 FCc1cccc(Br)c1 Amb27247407 [0,1,0,0,0,1|2,0,0]=4 3799 B9R1.2 FCc1cccc(Br)n1 Amb27603388 [0,1,0,0,0,1|2,0,0]=4 3800 B9R1.2 FCc1cccc(Cl)n1 Amb27795270 [0,1,0,0,0,1|2,0,0]=4 3801 B9R1.2 FCc1cccc(F)c1 Amb22232792 [0,1,0,0,0,1|2,0,0]=4 3802 B9R1.2 FCc1cccc(I)c1 Amb26923780 [0,1,0,0,0,1|2,0,0]=4 3803 B9R1.2 FCc1ccnc(Br)c1 Amb28195983 [0,1,0,0,0,1|2,0,0]=4 3804 B9R1.2 FCc1cncc(Br)c1 Amb26516205 [0,1,0,0,0,1|2,0,0]=4 3805 B9R1.2 FCc1cncc(Cl)c1 Amb27185547 [0,1,0,0,0,1|2,0,0]=4 3806 B9R1.2 Fc1cc(CBr)ccn1 Amb20248119 [0,1,0,0,0,1|2,0,0]=4 3807 B9R1.2 Fc1cc(CBr)ncn1 Amb28251435 [0,1,0,0,0,1|2,0,0]=4 3808 B9R1.2 Fc1cc(CCl)ccn1 Amb24102944 [0,1,0,0,0,1|2,0,0]=4 3809 B9R1.2 Fc1cc(CCl)ncn1 Amb27441219 [0,1,0,0,0,1|2,0,0]=4 3810 B9R1.2 Fc1cccc(CBr)c1 Amb2688043 [0,1,0,0,0,1|2,0,0]=4 3811 B9R1.2 Fc1cccc(CBr)n1 Amb21964613 [0,1,0,0,0,1|2,0,0]=4 3812 B9R1.2 Fc1cccc(CBr)n1 Amb32662943 [0,1,0,0,0,1|2,0,0]=4 3813 B9R1.2 Fc1cccc(CCl)c1 Amb6364746 [0,1,0,0,0,1|2,0,0]=4 3814 B9R1.2 Fc1cccc(CCl)n1 Amb8386859 [0,1,0,0,0,1|2,0,0]=4 3815 B9R1.2 Fc1cccc(CI)c1 Amb23590695 [0,1,0,0,0,1|2,0,0]=4 3816 B9R1.2 Fc1cccc(CS)c1 Amb2691867 [0,1,0,0,0,1|1,1,0]=4 3817 B9R1.2 Fc1ccnc(CBr)c1 Amb24726125 [0,1,0,0,0,1|2,0,0]=4 3818 B9R1.2 Fc1ccnc(CBr)n1 Amb25920123 [0,1,0,0,0,1|2,0,0]=4 3819 B9R1.2 Fc1ccnc(CCl)c1 Amb25060143 [0,1,0,0,0,1|2,0,0]=4 3820 B9R1.2 Fc1ccnc(CCl)c1 Amb32676629 [0,1,0,0,0,1|2,0,0]=4 3821 B9R1.2 Fc1ccnc(CCl)n1 Amb27438159 [0,1,0,0,0,1|2,0,0]=4 3822 B9R1.2 Fc1ccnc(CS)c1 Amb33325067 [0,1,0,0,0,1|1,1,0]=4 3823 B9R1.2 Fc1cncc(CBr)c1 Amb24085333 [0,1,0,0,0,1|2,0,0]=4 3824 B9R1.2 Fc1cncc(CBr)c1 Amb33540413 [0,1,0,0,0,1|2,0,0]=4 3825 B9R1.2 Fc1cncc(CCl)c1 Amb19894486 [0,1,0,0,0,1|2,0,0]=4 3826 B9R1.2 Fc1cncc(CCl)c1 Amb25887202 [0,1,0,0,0,1|2,0,0]=4 3827 B9R1.2 Fc1cncc(CS)c1 Amb27946754 [0,1,0,0,0,1|1,1,0]=4 3828 B9R1.2 Fc1nccc(CBr)n1 Amb27964313 [0,1,0,0,0,1|2,0,0]=4 3829 B9R1.2 Fc1nccc(CCl)n1 Amb27967420 [0,1,0,0,0,1|2,0,0]=4 3830 B9R1.2 NCC1=CC(=O)C=CN1 Amb33535896 [0,1,0,0,0,1|2,0,0]=4 3831 B9R1.2 NCC1=CC(=O)N=CN1 Amb21960707 [0,1,0,0,0,1|2,0,0]=4 3832 B9R1.2 NCC1=CC(=O)NC=C1 Amb21963528 [0,1,0,0,0,1|2,0,0]=4 3833 B9R1.2 NCC1=CC(=O)NC=C1 Amb21963542 [0,1,0,0,0,1|2,0,0]=4 3834 B9R1.2 NCC1=CC(=O)NC=N1 Amb18203323 [0,1,0,0,0,1|2,0,0]=4 3835 B9R1.2 NCC1=CC=CC(=O)N1 Amb22490648 [0,1,0,0,0,1|2,0,0]=4 3836 B9R1.2 NCC1=CC=CC(=O)N1 Amb33291340 [0,1,0,0,0,1|2,0,0]=4 3837 B9R1.2 NCC1=NC=CC(=O)N1 Amb32410220 [0,1,0,0,0,1|2,0,0]=4 3838 B9R1.2 NCC1=NC=CC(=O)N1 Amb32664306 [0,1,0,0,0,1|2,0,0]=4 3839 B9R1.2 NCc1cc(Br)ccn1 Amb18251919 [0,1,0,0,0,1|2,0,0]=4 3840 B9R1.2 NCc1cc(Br)ccn1 Amb21858993 [0,1,0,0,0,1|2,0,0]=4 3841 B9R1.2 NCc1cc(Br)ccn1 Amb24117549 [0,1,0,0,0,1|2,0,0]=4 3842 B9R1.2 NCc1cc(Cl)ccn1 Amb16233762 [0,1,0,0,0,1|2,0,0]=4 3843 B9R1.2 NCc1cc(Cl)ccn1 Amb19515814 [0,1,0,0,0,1|2,0,0]=4 3844 B9R1.2 NCc1cc(Cl)ccn1 Amb22899206 [0,1,0,0,0,1|2,0,0]=4 3845 B9R1.2 NCc1cc(F)ccn1 Amb13890627 [0,1,0,0,0,1|2,0,0]=4 3846 B9R1.2 NCc1cc(F)ccn1 Amb16186031 [0,1,0,0,0,1|2,0,0]=4 3847 B9R1.2 NCc1cc(F)ccn1 Amb22304300 [0,1,0,0,0,1|2,0,0]=4 3848 B9R1.2 NCc1cc(I)ccn1 Amb25689125 [0,1,0,0,0,1|2,0,0]=4 3849 B9R1.2 NCc1cc(N)ccn1 Amb18280762 [0,1,0,0,0,1|2,0,0]=4 3850 B9R1.2 NCc1cc(N)ccn1 Amb24117548 [0,1,0,0,0,1|2,0,0]=4 3851 B9R1.2 NCc1cc(N)ccn1 Amb30585160 [0,1,0,0,0,1|2,0,0]=4 3852 B9R1.2 NCc1cc(N)ncn1 Amb21960760 [0,1,0,0,0,1|2,0,0]=4 3853 B9R1.2 NCc1cc(N)ncn1 Amb24183939 [0,1,0,0,0,1|2,0,0]=4 3854 B9R1.2 NCc1cc(N)ncn1 Amb28989442 [0,1,0,0,0,1|2,0,0]=4 3855 B9R1.2 NCc1cc(O)ccn1 Amb23399915 [0,1,0,0,0,1|2,0,0]=4 3856 B9R1.2 NCc1cc(O)ccn1 Amb8010311 [0,1,0,0,0,1|2,0,0]=4 3857 B9R1.2 NCc1cc(O)ncn1 Amb10608377 [0,1,0,0,0,1|2,0,0]=4 3858 B9R1.2 NCc1cc(O)ncn1 Amb17622204 [0,1,0,0,0,1|2,0,0]=4 3859 B9R1.2 NCc1ccc[n+]([O-])c1 Amb33496123 [0,1,0,0,0,1|2,0,0]=4 3860 B9R1.2 NCc1cccc(Br)c1 Amb1114593 [0,1,0,0,0,1|2,0,0]=4 3861 B9R1.2 NCc1cccc(Br)c1 Amb4036811 [0,1,0,0,0,1|2,0,0]=4 3862 B9R1.2 NCc1cccc(Br)n1 Amb22899554 [0,1,0,0,0,1|2,0,0]=4 3863 B9R1.2 NCc1cccc(Br)n1 Amb33330973 [0,1,0,0,0,1|2,0,0]=4 3864 B9R1.2 NCc1cccc(Br)n1 Amb8386300 [0,1,0,0,0,1|2,0,0]=4 3865 B9R1.2 NCc1cccc(Cl)c1 Amb535711 [0,1,0,0,0,1|2,0,0]=4 3866 B9R1.2 NCc1cccc(Cl)n1 Amb20621543 [0,1,0,0,0,1|2,0,0]=4 3867 B9R1.2 NCc1cccc(Cl)n1 Amb21964888 [0,1,0,0,0,1|2,0,0]=4 3868 B9R1.2 NCc1cccc(Cl)n1 Amb23437268 [0,1,0,0,0,1|2,0,0]=4 3869 B9R1.2 NCc1cccc(F)c1 Amb1119747 [0,1,0,0,0,1|2,0,0]=4 3870 B9R1.2 NCc1cccc(F)c1 Amb30876891 [0,1,0,0,0,1|2,0,0]=4 3871 B9R1.2 NCc1cccc(F)n1 Amb13890637 [0,1,0,0,0,1|2,0,0]=4 3872 B9R1.2 NCc1cccc(F)n1 Amb16186029 [0,1,0,0,0,1|2,0,0]=4 3873 B9R1.2 NCc1cccc(F)n1 Amb22491793 [0,1,0,0,0,1|2,0,0]=4 3874 B9R1.2 NCc1cccc(I)c1 Amb3940187 [0,1,0,0,0,1|2,0,0]=4 3875 B9R1.2 NCc1cccc(I)c1 Amb4036800 [0,1,0,0,0,1|2,0,0]=4 3876 B9R1.2 NCc1cccc(I)n1 Amb26489136 [0,1,0,0,0,1|2,0,0]=4 3877 B9R1.2 NCc1cccc(N)c1 Amb4079367 [0,1,0,0,0,1|2,0,0]=4 3878 B9R1.2 NCc1cccc(N)c1 Amb6297110 [0,1,0,0,0,1|2,0,0]=4 3879 B9R1.2 NCc1cccc(N)n1 Amb13951384 [0,1,0,0,0,1|2,0,0]=4 3880 B9R1.2 NCc1cccc(N)n1 Amb29083362 [0,1,0,0,0,1|2,0,0]=4 3881 B9R1.2 NCc1cccc(O)c1 Amb10609577 [0,1,0,0,0,1|2,0,0]=4 3882 B9R1.2 NCc1cccc(O)c1 Amb1133156 [0,1,0,0,0,1|2,0,0]=4 3883 B9R1.2 NCc1cccc(O)n1 Amb22059467 [0,1,0,0,0,1|2,0,0]=4 3884 B9R1.2 NCc1cccn(=O)c1 Amb17771581 [0,1,0,0,0,1|2,0,0]=4 3885 B9R1.2 NCc1ccnc(Br)c1 Amb32668890 [0,1,0,0,0,1|2,0,0]=4 3886 B9R1.2 NCc1ccnc(Br)c1 Amb8386247 [0,1,0,0,0,1|2,0,0]=4 3887 B9R1.2 NCc1ccnc(Br)n1 Amb25268367 [0,1,0,0,0,1|2,0,0]=4 3888 B9R1.2 NCc1ccnc(Cl)c1 Amb10608317 [0,1,0,0,0,1|2,0,0]=4 3889 B9R1.2 NCc1ccnc(Cl)c1 Amb19959306 [0,1,0,0,0,1|2,0,0]=4 3890 B9R1.2 NCc1ccnc(Cl)c1 Amb32663653 [0,1,0,0,0,1|2,0,0]=4 3891 B9R1.2 NCc1ccnc(Cl)n1 Amb22011784 [0,1,0,0,0,1|2,0,0]=4 3892 B9R1.2 NCc1ccnc(Cl)n1 Amb24087436 [0,1,0,0,0,1|2,0,0]=4 3893 B9R1.2 NCc1ccnc(Cl)n1 Amb32679387 [0,1,0,0,0,1|2,0,0]=4 3894 B9R1.2 NCc1ccnc(F)c1 Amb13890639 [0,1,0,0,0,1|2,0,0]=4 3895 B9R1.2 NCc1ccnc(F)c1 Amb16186028 [0,1,0,0,0,1|2,0,0]=4 3896 B9R1.2 NCc1ccnc(F)c1 Amb20247883 [0,1,0,0,0,1|2,0,0]=4 3897 B9R1.2 NCc1ccnc(N)c1 Amb22490576 [0,1,0,0,0,1|2,0,0]=4 3898 B9R1.2 NCc1ccnc(N)c1 Amb8630211 [0,1,0,0,0,1|2,0,0]=4 3899 B9R1.2 NCc1ccnc(N)n1 Amb19372589 [0,1,0,0,0,1|2,0,0]=4 3900 B9R1.2 NCc1ccnc(N)n1 Amb2371874 [0,1,0,0,0,1|2,0,0]=4 3901 B9R1.2 NCc1ccnc(O)c1 Amb13952113 [0,1,0,0,0,1|2,0,0]=4 3902 B9R1.2 NCc1ccnc(O)n1 Amb18832833 [0,1,0,0,0,1|2,0,0]=4 3903 B9R1.2 NCc1ccnc(S)n1 Amb18202713 [0,1,0,0,0,1|2,0,0]=4 3904 B9R1.2 NCc1cncc(Br)c1 Amb31156519 [0,1,0,0,0,1|2,0,0]=4 3905 B9R1.2 NCc1cncc(Br)c1 Amb6572387 [0,1,0,0,0,1|2,0,0]=4 3906 B9R1.2 NCc1cncc(Cl)c1 Amb20247915 [0,1,0,0,0,1|2,0,0]=4 3907 B9R1.2 NCc1cncc(Cl)n1 Amb21964434 [0,1,0,0,0,1|2,0,0]=4 3908 B9R1.2 NCc1cncc(Cl)n1 Amb22235862 [0,1,0,0,0,1|2,0,0]=4 3909 B9R1.2 NCc1cncc(F)c1 Amb13890643 [0,1,0,0,0,1|2,0,0]=4 3910 B9R1.2 NCc1cncc(F)c1 Amb30585163 [0,1,0,0,0,1|2,0,0]=4 3911 B9R1.2 NCc1cncc(I)c1 Amb24329335 [0,1,0,0,0,1|2,0,0]=4 3912 B9R1.2 NCc1cncc(N)c1 Amb23401799 [0,1,0,0,0,1|2,0,0]=4 3913 B9R1.2 NCc1cncc(N)c1 Amb8386279 [0,1,0,0,0,1|2,0,0]=4 3914 B9R1.2 NCc1cncc(O)c1 Amb22899436 [0,1,0,0,0,1|2,0,0]=4 3915 B9R1.2 NCc1nccc(Cl)n1 Amb22396325 [0,1,0,0,0,1|2,0,0]=4 3916 B9R1.2 NCc1nccc(Cl)n1 Amb22899229 [0,1,0,0,0,1|2,0,0]=4 3917 B9R1.2 NCc1nccc(N)n1 Amb18832891 [0,1,0,0,0,1|2,0,0]=4 3918 B9R1.2 NCc1nccc(O)n1 Amb18222083 [0,1,0,0,0,1|2,0,0]=4 3919 B9R1.2 Nc1cc(CBr)ccn1 Amb27827916 [0,1,0,0,0,1|2,0,0]=4 3920 B9R1.2 Nc1cc(CBr)ccn1 Amb30594401 [0,1,0,0,0,1|2,0,0]=4 3921 B9R1.2 Nc1cc(CCl)ccn1 Amb17739840 [0,1,0,0,0,1|2,0,0]=4 3922 B9R1.2 Nc1cc(CCl)ncn1 Amb24696784 [0,1,0,0,0,1|2,0,0]=4 3923 B9R1.2 Nc1cc(CF)ccn1 Amb28052915 [0,1,0,0,0,1|2,0,0]=4 3924 B9R1.2 Nc1cc(CI)ccn1 Amb20247701 [0,1,0,0,0,1|2,0,0]=4 3925 B9R1.2 Nc1cc(CO)ccn1 Amb33530514 [0,1,0,0,0,1|1,0,0]=3 3926 B9R1.2 Nc1cc(CO)ncn1 Amb22728448 [0,1,0,0,0,1|1,0,0]=3 3927 B9R1.2 Nc1cccc(CBr)c1 Amb22728096 [0,1,0,0,0,1|2,0,0]=4 3928 B9R1.2 Nc1cccc(CBr)n1 Amb33329373 [0,1,0,0,0,1|2,0,0]=4 3929 B9R1.2 Nc1cccc(CCl)c1 Amb17477837 [0,1,0,0,0,1|2,0,0]=4 3930 B9R1.2 Nc1cccc(CCl)c1 Amb32661034 [0,1,0,0,0,1|2,0,0]=4 3931 B9R1.2 Nc1cccc(CF)c1 Amb23556448 [0,1,0,0,0,1|2,0,0]=4 3932 B9R1.2 Nc1cccc(CO)c1 Amb2099649 [0,1,0,0,0,1|1,0,0]=3 3933 B9R1.2 Nc1cccc(CO)n1 Amb21857102 [0,1,0,0,0,1|1,0,0]=3 3934 B9R1.2 Nc1cccc(CS)n1 Amb27862989 [0,1,0,0,0,1|1,1,0]=4 3935 B9R1.2 Nc1ccnc(CBr)c1 Amb20247769 [0,1,0,0,0,1|2,0,0]=4 3936 B9R1.2 Nc1ccnc(CCl)c1 Amb27647112 [0,1,0,0,0,1|2,0,0]=4 3937 B9R1.2 Nc1ccnc(CCl)n1 Amb16233767 [0,1,0,0,0,1|2,0,0]=4 3938 B9R1.2 Nc1ccnc(CCl)n1 Amb33362285 [0,1,0,0,0,1|2,0,0]=4 3939 B9R1.2 Nc1ccnc(CF)c1 Amb25092860 [0,1,0,0,0,1|2,0,0]=4 3940 B9R1.2 Nc1ccnc(CO)c1 Amb22899638 [0,1,0,0,0,1|1,0,0]=3 3941 B9R1.2 Nc1ccnc(CO)c1 Amb33544126 [0,1,0,0,0,1|1,0,0]=3 3942 B9R1.2 Nc1cncc(CBr)c1 Amb20247636 [0,1,0,0,0,1|2,0,0]=4 3943 B9R1.2 Nc1cncc(CCl)c1 Amb24425769 [0,1,0,0,0,1|2,0,0]=4 3944 B9R1.2 Nc1cncc(CO)c1 Amb24102573 [0,1,0,0,0,1|1,0,0]=3 3945 B9R1.2 Nc1cncc(CO)c1 Amb33172805 [0,1,0,0,0,1|1,0,0]=3 3946 B9R1.2 Nc1cncc(CO)c1 Amb8386489 [0,1,0,0,0,1|1,0,0]=3 3947 B9R1.2 Nc1cncc(CO)n1 Amb28060259 [0,1,0,0,0,1|1,0,0]=3 3948 B9R1.2 Nc1nccc(CCl)n1 Amb25968582 [0,1,0,0,0,1|2,0,0]=4 3949 B9R1.2 Nc1nccc(CF)n1 Amb25840416 [0,1,0,0,0,1|2,0,0]=4 3950 B9R1.2 Nc1nccc(CO)n1 Amb20248683 [0,1,0,0,0,1|1,0,0]=3 3951 B9R1.2 O=C1C=C(CCl)C=CN1 Amb25959595 [0,1,0,0,0,1|2,0,0]=4 3952 B9R1.2 O=C1C=C(CCl)N=CN1 Amb27974760 [0,1,0,0,0,1|2,0,0]=4 3953 B9R1.2 O=C1C=C(CF)N=CN1 Amb24628286 [0,1,0,0,0,1|2,0,0]=4 3954 B9R1.2 O=C1C=C(CO)C=CN1 Amb21960732 [0,1,0,0,0,1|1,0,0]=3 3955 B9R1.2 O=C1C=C(CO)CCC1 Amb27843949 [0,1,0,0,0,1|1,0,1]=4 3956 B9R1.2 O=C1C=C(CO)N=CN1 Amb28346878 [0,1,0,0,0,1|1,0,0]=3 3957 B9R1.2 O=C1C=C(NO)C=CN1 Amb27215484 [0,1,0,0,0,1|2,0,0]=4 3958 B9R1.2 O=C1C=CC=C(CBr)N1 Amb25957289 [0,1,0,0,0,1|2,0,0]=4 3959 B9R1.2 O=C1C=CCC(CCl)O1 Amb24432531 [0,1,0,0,0,1|1,0,1]=4 3960 B9R1.2 O=C1C=CCC(CO)O1 Amb28049087 [0,1,0,0,0,1|0,0,1]=3 3961 B9R1.2 O=C1C=CC[C@@H](CCl)O1 Amb22226720 [0,1,0,0,0,1|1,0,1]=4 3962 B9R1.2 O=C1C=CN=C(NO)N1 Amb24580355 [0,1,0,0,0,1|2,0,0]=4 3963 B9R1.2 O=C1C=CNC(CBr)=C1 Amb24369351 [0,1,0,0,0,1|2,0,0]=4 3964 B9R1.2 O=C1C=CNC(CO)C1 Amb27875190 [0,1,0,0,0,1|1,0,1]=4 3965 B9R1.2 O=C1C=COC(CCl)C1 Amb28050973 [0,1,0,0,0,1|1,0,1]=4 3966 B9R1.2 O=C1NC=C\C(=N\O)N1 Amb25062604 [0,1,0,0,0,1|2,0,0]=4 3967 B9R1.2 O=CC1=CC=CC(=O)O1 Amb27481476 [0,1,0,0,0,1|0,0,2]=4 3968 B9R1.2 OCC1CC(O)C=CO1 Amb27185678 [0,1,0,0,0,1|0,0,2]=4 3969 B9R1.2 OC[C@@H]1CC=CC(=S)N1 Amb27468983 [0,1,0,0,0,1|1,0,1]=4 3970 B9R1.2 OC[C@@H]1C[C@@H](O)C=CO1 Amb27969105 [0,1,0,0,0,1|0,0,2]=4 3971 B9R1.2 OCc1cc(Br)ccn1 Amb8394822 [0,1,0,0,0,1|1,0,0]=3 3972 B9R1.2 OCc1cc(Br)ncn1 Amb25255522 [0,1,0,0,0,1|1,0,0]=3 3973 B9R1.2 OCc1cc(Cl)ccn1 Amb6565083 [0,1,0,0,0,1|1,0,0]=3 3974 B9R1.2 OCc1cc(Cl)ccn1 Amb8503386 [0,1,0,0,0,1|1,0,0]=3 3975 B9R1.2 OCc1cc(Cl)ncn1 Amb23399657 [0,1,0,0,0,1|1,0,0]=3 3976 B9R1.2 OCc1cc(F)ccn1 Amb26599902 [0,1,0,0,0,1|1,0,0]=3 3977 B9R1.2 OCc1cc(F)ncn1 Amb28192079 [0,1,0,0,0,1|1,0,0]=3 3978 B9R1.2 OCc1cc(I)ccn1 Amb24439513 [0,1,0,0,0,1|1,0,0]=3 3979 B9R1.2 OCc1cc(O)ccn1 Amb22292446 [0,1,0,0,0,1|1,0,0]=3 3980 B9R1.2 OCc1cccc(Br)c1 Amb3939091 [0,1,0,0,0,1|1,0,0]=3 3981 B9R1.2 OCc1cccc(Br)n1 Amb8386704 [0,1,0,0,0,1|1,0,0]=3 3982 B9R1.2 OCc1cccc(Cl)c1 Amb1232082 [0,1,0,0,0,1|1,0,0]=3 3983 B9R1.2 OCc1cccc(Cl)n1 Amb6308086 [0,1,0,0,0,1|1,0,0]=3 3984 B9R1.2 OCc1cccc(Cl)n1 Amb8386844 [0,1,0,0,0,1|1,0,0]=3 3985 B9R1.2 OCc1cccc(F)c1 Amb837438 [0,1,0,0,0,1|1,0,0]=3 3986 B9R1.2 OCc1cccc(F)n1 Amb8386821 [0,1,0,0,0,1|1,0,0]=3 3987 B9R1.2 OCc1cccc(I)c1 Amb4605978 [0,1,0,0,0,1|1,0,0]=3 3988 B9R1.2 OCc1cccc(O)c1 Amb2688734 [0,1,0,0,0,1|1,0,0]=3 3989 B9R1.2 OCc1cccc(O)n1 Amb9902171 [0,1,0,0,0,1|1,0,0]=3 3990 B9R1.2 OCc1cccc(S)c1 Amb16231056 [0,1,0,0,0,1|1,0,0]=3 3991 B9R1.2 OCc1ccnc(Br)c1 Amb6306637 [0,1,0,0,0,1|1,0,0]=3 3992 B9R1.2 OCc1ccnc(Br)n1 Amb25320419 [0,1,0,0,0,1|1,0,0]=3 3993 B9R1.2 OCc1ccnc(Cl)c1 Amb6384056 [0,1,0,0,0,1|1,0,0]=3 3994 B9R1.2 OCc1ccnc(Cl)n1 Amb24099659 [0,1,0,0,0,1|1,0,0]=3 3995 B9R1.2 OCc1ccnc(F)c1 Amb20247913 [0,1,0,0,0,1|1,0,0]=3 3996 B9R1.2 OCc1ccnc(F)n1 Amb26424377 [0,1,0,0,0,1|1,0,0]=3 3997 B9R1.2 OCc1ccnc(O)c1 Amb10600384 [0,1,0,0,0,1|1,0,0]=3 3998 B9R1.2 OCc1cncc(Br)c1 Amb6572386 [0,1,0,0,0,1|1,0,0]=3 3999 B9R1.2 OCc1cncc(Br)c1 Amb8285896 [0,1,0,0,0,1|1,0,0]=3 4000 B9R1.2 OCc1cncc(Br)n1 Amb21964568 [0,1,0,0,0,1|1,0,0]=3 4001 B9R1.2 OCc1cncc(Cl)c1 Amb10975945 [0,1,0,0,0,1|1,0,0]=3 4002 B9R1.2 OCc1cncc(Cl)n1 Amb21856133 [0,1,0,0,0,1|1,0,0]=3 4003 B9R1.2 OCc1cncc(F)c1 Amb10603180 [0,1,0,0,0,1|1,0,0]=3 4004 B9R1.2 OCc1cncc(F)n1 Amb28323505 [0,1,0,0,0,1|1,0,0]=3 4005 B9R1.2 OCc1cncc(O)c1 Amb23401211 [0,1,0,0,0,1|1,0,0]=3 4006 B9R1.2 OCc1nccc(Br)n1 Amb26464048 [0,1,0,0,0,1|1,0,0]=3 4007 B9R1.2 OCc1nccc(Cl)n1 Amb22235687 [0,1,0,0,0,1|1,0,0]=3 4008 B9R1.2 OCc1nccc(O)n1 Amb22737475 [0,1,0,0,0,1|1,0,0]=3 4009 B9R1.2 OCc1nccc(O)n1 Amb35750765 [0,1,0,0,0,1|1,0,0]=3 4010 B9R1.2 ONc1cccc(O)c1 Amb28144169 [0,1,0,0,0,1|2,0,0]=4 4011 B9R1.2 Oc1cc(CBr)ncn1 Amb22494518 [0,1,0,0,0,1|2,0,0]=4 4012 B9R1.2 Oc1cc(CF)ccn1 Amb28053195 [0,1,0,0,0,1|2,0,0]=4 4013 B9R1.2 Oc1cccc(CBr)c1 Amb5719379 [0,1,0,0,0,1|2,0,0]=4 4014 B9R1.2 Oc1cccc(CCl)c1 Amb8391842 [0,1,0,0,0,1|2,0,0]=4 4015 B9R1.2 Oc1cccc(CF)n1 Amb25195006 [0,1,0,0,0,1|2,0,0]=4 4016 B9R1.2 Oc1cccc(CS)c1 Amb18643580 [0,1,0,0,0,1|1,1,0]=4 4017 B9R1.2 Oc1ccnc(CI)n1 Amb28317908 [0,1,0,0,0,1|2,0,0]=4 4018 B9R1.2 Oc1ccnc(CS)n1 Amb24553855 [0,1,0,0,0,1|1,1,0]=4 4019 B9R1.2 Oc1cncc(CBr)c1 Amb28383974 [0,1,0,0,0,1|2,0,0]=4 4020 B9R1.2 S=C1C=CN=C(CCl)N1 Amb28187999 [0,1,0,0,0,1|2,0,0]=4 4021 B9R1.2 SCc1cc(Cl)ccn1 Amb26561713 [0,1,0,0,0,1|1,1,0]=4 4022 B9R1.2 SCc1cccc(Br)c1 Amb2691874 [0,1,0,0,0,1|1,1,0]=4 4023 B9R1.2 SCc1cccc(Br)n1 Amb25212807 [0,1,0,0,0,1|1,1,0]=4 4024 B9R1.2 SCc1cccc(Cl)c1 Amb6255953 [0,1,0,0,0,1|1,1,0]=4 4025 B9R1.2 SCc1cccc(Cl)n1 Amb24726180 [0,1,0,0,0,1|1,1,0]=4 4026 B9R1.2 SCc1cccc(I)c1 Amb26546229 [0,1,0,0,0,1|1,1,0]=4 4027 B9R1.2 SCc1ccnc(Cl)c1 Amb22396233 [0,1,0,0,0,1|1,1,0]=4 4028 B9R1.2 SCc1cncc(Br)c1 Amb26918390 [0,1,0,0,0,1|1,1,0]=4 4029 B9R1.2 SCc1cncc(Cl)c1 Amb32788379 [0,1,0,0,0,1|1,1,0]=4 4030 B9R1.2 Sc1cccc(CCl)c1 Amb25793601 [0,1,0,0,0,1|2,0,0]=4 4031 B9R1.2 [NH3+]Cc1cccc(Br)c1 Amb24113872 [0,1,0,0,0,1|2,0,0]=4 4032 B9R1.2 [NH3+]Cc1cccc(Cl)c1 Amb22641594 [0,1,0,0,0,1|2,0,0]=4 4033 B9R1.2 [NH3+]Cc1cccc(O)c1 Amb22547663 [0,1,0,0,0,1|2,0,0]=4 4034 B9R1.2 [O-][n+]1cccc(CCl)c1 Amb26960298 [0,1,0,0,0,1|2,0,0]=4 4035 B9R1.2 [O-][n+]1cccc(CO)c1 Amb10552691 [0,1,0,0,0,1|1,0,0]=3 4036 B9R1.2 [Zn+]Cc1cccc(I)c1 Amb22337135 [0,1,0,0,0,1|2,0,0]=4 4037 B9R1.6 BrC(Br)c1ccccc1 Amb8513496 [0,1,0,0,0,1|2,0,0]=4 4038 B9R1.6 CC(Br)c1ccccc1 Amb5716854 [0,1,0,0,0,1|2,0,0]=4 4039 B9R1.6 CC(Br)c1ccccn1 Amb6770323 [0,1,0,0,0,1|2,0,0]=4 4040 B9R1.6 CC(Br)c1ccccn1 Amb8835436 [0,1,0,0,0,1|2,0,0]=4 4041 B9R1.6 CC(Br)c1cccnc1 Amb33552368 [0,1,0,0,0,1|2,0,0]=4 4042 B9R1.6 CC(Br)c1cccnc1 Amb8835401 [0,1,0,0,0,1|2,0,0]=4 4043 B9R1.6 CC(Br)c1ccncc1 Amb10610143 [0,1,0,0,0,1|2,0,0]=4 4044 B9R1.6 CC(Br)c1ccncc1 Amb9210657 [0,1,0,0,0,1|2,0,0]=4 4045 B9R1.6 CC(Br)c1cnccn1 Amb21862010 [0,1,0,0,0,1|2,0,0]=4 4046 B9R1.6 CC(C)c1ccccc1 Amb2793016 [0,1,0,0,0,1|2,0,0]=4 4047 B9R1.6 CC(C)c1ccccc1 Amb33524021 [0,1,0,0,0,1|2,0,0]=4 4048 B9R1.6 CC(C)c1ccccn1 Amb8438962 [0,1,0,0,0,1|2,0,0]=4 4049 B9R1.6 CC(C)c1cccnc1 Amb24320774 [0,1,0,0,0,1|2,0,0]=4 4050 B9R1.6 CC(C)c1cccnn1 Amb26572070 [0,1,0,0,0,1|2,0,0]=4 4051 B9R1.6 CC(C)c1ccncc1 Amb2694187 [0,1,0,0,0,1|2,0,0]=4 4052 B9R1.6 CC(C)c1ccncn1 Amb24070425 [0,1,0,0,0,1|2,0,0]=4 4053 B9R1.6 CC(Cl)c1ccccc1 Amb5716855 [0,1,0,0,0,1|2,0,0]=4 4054 B9R1.6 CC(Cl)c1ccccn1 Amb10610197 [0,1,0,0,0,1|2,0,0]=4 4055 B9R1.6 CC(Cl)c1ccccn1 Amb9205056 [0,1,0,0,0,1|2,0,0]=4 4056 B9R1.6 CC(Cl)c1cccnc1 Amb13952205 [0,1,0,0,0,1|2,0,0]=4 4057 B9R1.6 CC(Cl)c1cccnc1 Amb9205037 [0,1,0,0,0,1|2,0,0]=4 4058 B9R1.6 CC(Cl)c1ccncc1 Amb19514972 [0,1,0,0,0,1|2,0,0]=4 4059 B9R1.6 CC(Cl)c1ccncc1 Amb9205038 [0,1,0,0,0,1|2,0,0]=4 4060 B9R1.6 CC(Cl)c1ccncn1 Amb27245210 [0,1,0,0,0,1|2,0,0]=4 4061 B9R1.6 CC(Cl)c1cnccn1 Amb20618636 [0,1,0,0,0,1|2,0,0]=4 4062 B9R1.6 CC(Cl)c1ncccn1 Amb26326722 [0,1,0,0,0,1|2,0,0]=4 4063 B9R1.6 CC(Cl)c1ncccn1 Amb32668192 [0,1,0,0,0,1|2,0,0]=4 4064 B9R1.6 CC(N)c1ccccc1 Amb5716844 [0,1,0,0,0,1|2,0,0]=4 4065 B9R1.6 CC(N)c1ccccn1 Amb1102610 [0,1,0,0,0,1|2,0,0]=4 4066 B9R1.6 CC(N)c1ccccn1 Amb22265614 [0,1,0,0,0,1|2,0,0]=4 4067 B9R1.6 CC(N)c1ccccn1 Amb24064899 [0,1,0,0,0,1|2,0,0]=4 4068 B9R1.6 CC(N)c1ccccn1 Amb31206895 [0,1,0,0,0,1|2,0,0]=4 4069 B9R1.6 CC(N)c1cccnc1 Amb1214297 [0,1,0,0,0,1|2,0,0]=4 4070 B9R1.6 CC(N)c1cccnc1 Amb22754521 [0,1,0,0,0,1|2,0,0]=4 4071 B9R1.6 CC(N)c1ccncc1 Amb19958395 [0,1,0,0,0,1|2,0,0]=4 4072 B9R1.6 CC(N)c1ccncc1 Amb32662788 [0,1,0,0,0,1|2,0,0]=4 4073 B9R1.6 CC(N)c1ccncc1 Amb9745700 [0,1,0,0,0,1|2,0,0]=4 4074 B9R1.6 CC(N)c1ccncn1 Amb10608543 [0,1,0,0,0,1|2,0,0]=4 4075 B9R1.6 CC(N)c1ccncn1 Amb22587681 [0,1,0,0,0,1|2,0,0]=4 4076 B9R1.6 CC(N)c1cnccn1 Amb18278310 [0,1,0,0,0,1|2,0,0]=4 4077 B9R1.6 CC(N)c1cnccn1 Amb32752562 [0,1,0,0,0,1|2,0,0]=4 4078 B9R1.6 CC(N)c1ncccn1 Amb22757229 [0,1,0,0,0,1|2,0,0]=4 4079 B9R1.6 CC(N)c1ncccn1 Amb30585152 [0,1,0,0,0,1|2,0,0]=4 4080 B9R1.6 CC(N)c1ncccn1 Amb8010520 [0,1,0,0,0,1|2,0,0]=4 4081 B9R1.6 CC(O)C1=CCCCO1 Amb25349292 [0,1,0,0,0,1|0,0,2]=4 4082 B9R1.6 CC(O)C1C=C=CC=C1 Amb27197983 [0,1,0,0,0,1|1,0,1]=4 4083 B9R1.6 CC(O)c1ccccc1 Amb3940114 [0,1,0,0,0,1|1,0,0]=3 4084 B9R1.6 CC(O)c1ccccn1 Amb32666055 [0,1,0,0,0,1|1,0,0]=3 4085 B9R1.6 CC(O)c1ccccn1 Amb9748230 [0,1,0,0,0,1|1,0,0]=3 4086 B9R1.6 CC(O)c1cccnc1 Amb9748268 [0,1,0,0,0,1|1,0,0]=3 4087 B9R1.6 CC(O)c1cccnn1 Amb26346035 [0,1,0,0,0,1|1,0,0]=3 4088 B9R1.6 CC(O)c1ccncc1 Amb6705768 [0,1,0,0,0,1|1,0,0]=3 4089 B9R1.6 CC(O)c1ccncn1 Amb24477841 [0,1,0,0,0,1|1,0,0]=3 4090 B9R1.6 CC(O)c1cnccn1 Amb13952214 [0,1,0,0,0,1|1,0,0]=3 4091 B9R1.6 CC(O)c1cncnc1 Amb22055840 [0,1,0,0,0,1|2,0,0]=4 4092 B9R1.6 CC(O)c1ncccn1 Amb22284841 [0,1,0,0,0,1|1,0,0]=3 4093 B9R1.6 CC(S)c1ccccc1 Amb6256013 [0,1,0,0,0,1|1,1,0]=4 4094 B9R1.6 CC(S)c1ccccn1 Amb9208044 [0,1,0,0,0,1|1,1,0]=4 4095 B9R1.6 CC(S)c1cccnc1 Amb9208030 [0,1,0,0,0,1|1,1,0]=4 4096 B9R1.6 CC(S)c1ccncc1 Amb9208031 [0,1,0,0,0,1|1,1,0]=4 4097 B9R1.6 CC(S)c1ccncn1 Amb25917576 [0,1,0,0,0,1|1,1,0]=4 4098 B9R1.6 CC(S)c1cnccn1 Amb22267831 [0,1,0,0,0,1|1,1,0]=4 4099 B9R1.6 CN(O)c1ccccc1 Amb28245898 [0,1,0,0,0,1|2,0,0]=4 4100 B9R1.6 C[C@@H](Br)c1ccccc1 Amb25055693 [0,1,0,0,0,1|2,0,0]=4 4101 B9R1.6 C[C@@H](N)c1ccccc1 Amb22168000 [0,1,0,0,0,1|2,0,0]=4 4102 B9R1.6 C[C@@H](N)c1ccccc1 Amb3940166 [0,1,0,0,0,1|2,0,0]=4 4103 B9R1.6 C[C@@H](N)c1ccccn1 Amb19514583 [0,1,0,0,0,1|2,0,0]=4 4104 B9R1.6 C[C@@H](N)c1ccccn1 Amb2695967 [0,1,0,0,0,1|2,0,0]=4 4105 B9R1.6 C[C@@H](N)c1ccccn1 Amb30526699 [0,1,0,0,0,1|2,0,0]=4 4106 B9R1.6 C[C@@H](N)c1cccnc1 Amb13951181 [0,1,0,0,0,1|2,0,0]=4 4107 B9R1.6 C[C@@H](N)c1cccnc1 Amb6893473 [0,1,0,0,0,1|2,0,0]=4 4108 B9R1.6 C[C@@H](N)c1ccncc1 Amb13952719 [0,1,0,0,0,1|2,0,0]=4 4109 B9R1.6 C[C@@H](N)c1ccncc1 Amb6893468 [0,1,0,0,0,1|2,0,0]=4 4110 B9R1.6 C[C@@H](N)c1ccncn1 Amb18832953 [0,1,0,0,0,1|2,0,0]=4 4111 B9R1.6 C[C@@H](N)c1cnccn1 Amb22747093 [0,1,0,0,0,1|2,0,0]=4 4112 B9R1.6 C[C@@H](N)c1cnccn1 Amb32664964 [0,1,0,0,0,1|2,0,0]=4 4113 B9R1.6 C[C@@H](N)c1ncccn1 Amb27264293 [0,1,0,0,0,1|2,0,0]=4 4114 B9R1.6 C[C@@H](O)c1ccccc1 Amb6366772 [0,1,0,0,0,1|1,0,0]=3 4115 B9R1.6 C[C@@H](O)c1ccccn1 Amb24087444 [0,1,0,0,0,1|1,0,0]=3 4116 B9R1.6 C[C@@H](O)c1ccccn1 Amb4166327 [0,1,0,0,0,1|1,0,0]=3 4117 B9R1.6 C[C@@H](O)c1cccnc1 Amb6893471 [0,1,0,0,0,1|1,0,0]=3 4118 B9R1.6 C[C@@H](O)c1ccncc1 Amb6893466 [0,1,0,0,0,1|1,0,0]=3 4119 B9R1.6 C[C@@H](O)c1ccncn1 Amb27235358 [0,1,0,0,0,1|1,0,0]=3 4120 B9R1.6 C[C@@H](O)c1cnccn1 Amb19514758 [0,1,0,0,0,1|1,0,0]=3 4121 B9R1.6 C[C@@H](O)c1cncnc1 Amb27265907 [0,1,0,0,0,1|2,0,0]=4 4122 B9R1.6 C[C@@H](O)c1ncccn1 Amb25313724 [0,1,0,0,0,1|1,0,0]=3 4123 B9R1.6 C[C@@H](S)c1ccccc1 Amb28069838 [0,1,0,0,0,1|1,1,0]=4 4124 B9R1.6 C[C@H](Br)c1ccccn1 Amb28123940 [0,1,0,0,0,1|2,0,0]=4 4125 B9R1.6 C[C@H](Cl)c1ccccn1 Amb33068907 [0,1,0,0,0,1|2,0,0]=4 4126 B9R1.6 C[C@H](N)C1=C=CCC=C1 Amb28368961 [0,1,0,0,0,1|2,0,0]=4 4127 B9R1.6 C[C@H](N)c1ccccc1 Amb2725550 [0,1,0,0,0,1|2,0,0]=4 4128 B9R1.6 C[C@H](N)c1ccccn1 Amb13951343 [0,1,0,0,0,1|2,0,0]=4 4129 B9R1.6 C[C@H](N)c1ccccn1 Amb33871554 [0,1,0,0,0,1|2,0,0]=4 4130 B9R1.6 C[C@H](N)c1ccccn1 Amb6893465 [0,1,0,0,0,1|2,0,0]=4 4131 B9R1.6 C[C@H](N)c1cccnc1 Amb30647445 [0,1,0,0,0,1|2,0,0]=4 4132 B9R1.6 C[C@H](N)c1cccnc1 Amb6893472 [0,1,0,0,0,1|2,0,0]=4 4133 B9R1.6 C[C@H](N)c1ccncc1 Amb28895917 [0,1,0,0,0,1|2,0,0]=4 4134 B9R1.6 C[C@H](N)c1ccncc1 Amb6893469 [0,1,0,0,0,1|2,0,0]=4 4135 B9R1.6 C[C@H](N)c1ccncn1 Amb24099656 [0,1,0,0,0,1|2,0,0]=4 4136 B9R1.6 C[C@H](N)c1cnccn1 Amb25980810 [0,1,0,0,0,1|2,0,0]=4 4137 B9R1.6 C[C@H](N)c1cnccn1 Amb32665356 [0,1,0,0,0,1|2,0,0]=4 4138 B9R1.6 C[C@H](N)c1ncccn1 Amb27437960 [0,1,0,0,0,1|2,0,0]=4 4139 B9R1.6 C[C@H](O)c1ccccc1 Amb4021849 [0,1,0,0,0,1|1,0,0]=3 4140 B9R1.6 C[C@H](O)c1ccccn1 Amb30526838 [0,1,0,0,0,1|1,0,0]=3 4141 B9R1.6 C[C@H](O)c1cccnc1 Amb6893470 [0,1,0,0,0,1|1,0,0]=3 4142 B9R1.6 C[C@H](O)c1ccncc1 Amb6893467 [0,1,0,0,0,1|1,0,0]=3 4143 B9R1.6 C[C@H](O)c1ccncn1 Amb26019235 [0,1,0,0,0,1|1,0,0]=3 4144 B9R1.6 C[C@H](O)c1cnccn1 Amb26977321 [0,1,0,0,0,1|1,0,0]=3 4145 B9R1.6 C[C@H](O)c1cncnc1 Amb25259575 [0,1,0,0,0,1|2,0,0]=4 4146 B9R1.6 C[C@H](O)c1ncccn1 Amb24428544 [0,1,0,0,0,1|1,0,0]=3 4147 B9R1.6 C[C@H](S)c1ccccc1 Amb25935694 [0,1,0,0,0,1|1,1,0]=4 4148 B9R1.6 ClC(Cl)c1ccccn1 Amb22295832 [0,1,0,0,0,1|2,0,0]=4 4149 B9R1.6 FC(Cl)c1ccccc1 Amb10838337 [0,1,0,0,0,1|2,0,0]=4 4150 B9R1.6 FC(F)c1ccccc1 Amb10606272 [0,1,0,0,0,1|2,0,0]=4 4151 B9R1.6 FC(F)c1ccccn1 Amb19894454 [0,1,0,0,0,1|2,0,0]=4 4152 B9R1.6 FC(F)c1cccnc1 Amb10605994 [0,1,0,0,0,1|2,0,0]=4 4153 B9R1.6 FC(F)c1cccnn1 Amb32424037 [0,1,0,0,0,1|2,0,0]=4 4154 B9R1.6 FC(F)c1ccncc1 Amb19894457 [0,1,0,0,0,1|2,0,0]=4 4155 B9R1.6 FC(F)c1ccncn1 Amb28052899 [0,1,0,0,0,1|2,0,0]=4 4156 B9R1.6 N=C(O)c1cnccn1 Amb22166847 [0,1,0,0,0,1|1,0,1]=4 4157 B9R1.6 NC(F)c1ccncc1 Amb27844854 [0,1,0,0,0,1|2,0,0]=4 4158 B9R1.6 NC(N)c1ccccc1 Amb28069502 [0,1,0,0,0,1|2,0,0]=4 4159 B9R1.6 NC(N)c1ccncc1 Amb24079161 [0,1,0,0,0,1|2,0,0]=4 4160 B9R1.6 O=C(O)c1ccccc1 Amb1935196 [0,1,0,0,0,1|1,0,1]=4 4161 B9R1.6 O=C(O)c1ccccc1 Amb22002523 [0,1,0,0,0,1|1,0,1]=4 4162 B9R1.6 O=C(O)c1ccccc1 Amb22336602 [0,1,0,0,0,1|1,0,1]=4 4163 B9R1.6 O=C(O)c1ccccc1 Amb22351742 [0,1,0,0,0,1|1,0,1]=4 4164 B9R1.6 O=C(O)c1ccccn1 Amb1227737 [0,1,0,0,0,1|1,0,1]=4 4165 B9R1.6 O=C(O)c1ccccn1 Amb4035065 [0,1,0,0,0,1|1,0,1]=4 4166 B9R1.6 O=C(O)c1cccnc1 Amb1195995 [0,1,0,0,0,1|1,0,1]=4 4167 B9R1.6 O=C(O)c1cccnn1 Amb33544461 [0,1,0,0,0,1|1,0,1]=4 4168 B9R1.6 O=C(O)c1ccncc1 Amb2609990 [0,1,0,0,0,1|1,0,1]=4 4169 B9R1.6 O=C(O)c1ccncn1 Amb1102414 [0,1,0,0,0,1|1,0,1]=4 4170 B9R1.6 O=C(O)c1cnccn1 Amb2455963 [0,1,0,0,0,1|1,0,1]=4 4171 B9R1.6 O=C(O)c1ncccn1 Amb19330380 [0,1,0,0,0,1|1,0,1]=4 4172 B9R1.6 O=C(O)c1ncccn1 Amb2720395 [0,1,0,0,0,1|1,0,1]=4 4173 B9R1.6 O=S(O)c1ccccc1 Amb17939345 [0,1,0,0,0,1|2,0,0]=4 4174 B9R1.6 O=S(O)c1cccnc1 Amb24062548 [0,1,0,0,0,1|2,0,0]=4 4175 B9R1.6 O=S(O)c1cccnc1 Amb32674890 [0,1,0,0,0,1|2,0,0]=4 4176 B9R1.6 O=[PH](O)c1ccccc1 Amb3371978 [0,1,0,0,0,1|2,0,0]=4 4177 B9R1.6 O=[Se](O)c1ccccc1 Amb4138617 [0,1,0,0,0,1|2,0,0]=4 4178 B9R1.6 OB(O)c1ccccc1 Amb22587706 [0,1,0,0,0,1|2,0,0]=4 4179 B9R1.6 OB(O)c1ccccc1 Amb6365485 [0,1,0,0,0,1|2,0,0]=4 4180 B9R1.6 OB(O)c1ccccn1 Amb2383498 [0,1,0,0,0,1|2,0,0]=4 4181 B9R1.6 OB(O)c1cccnc1 Amb1353193 [0,1,0,0,0,1|2,0,0]=4 4182 B9R1.6 OB(O)c1cccnc1 Amb21954295 [0,1,0,0,0,1|2,0,0]=4 4183 B9R1.6 OB(O)c1cccnn1 Amb23403685 [0,1,0,0,0,1|2,0,0]=4 4184 B9R1.6 OB(O)c1ccncc1 Amb13887063 [0,1,0,0,0,1|2,0,0]=4 4185 B9R1.6 OB(O)c1ccncc1 Amb2383497 [0,1,0,0,0,1|2,0,0]=4 4186 B9R1.6 OB(O)c1ccncc1 Amb2690422 [0,1,0,0,0,1|2,0,0]=4 4187 B9R1.6 OB(O)c1ccncn1 Amb8631042 [0,1,0,0,0,1|2,0,0]=4 4188 B9R1.6 OB(O)c1cnccn1 Amb22000964 [0,1,0,0,0,1|2,0,0]=4 4189 B9R1.6 OC(=S)c1ccccc1 Amb17942862 [0,1,0,0,0,1|1,0,1]=4 4190 B9R1.6 OC(=S)c1cccnc1 Amb22731908 [0,1,0,0,0,1|1,0,1]=4 4191 B9R1.6 OC(O)c1ncccn1 Amb27853203 [0,1,0,0,0,1|1,0,0]=3 4192 B9R1.6 ON(O)c1ccncc1 Amb24572621 [0,1,0,0,0,1|2,0,0]=4 4193 B9R1.6 OP(O)c1ccccc1 Amb2684568 [0,1,0,0,0,1|2,0,0]=4 4194 B9R1.6 O[C@@H](Br)c1ccccc1 Amb27233551 [0,1,0,0,0,1|1,0,0]=3 4195 B9R1.6 O[C@@H](Cl)c1ccccc1 Amb28119929 [0,1,0,0,0,1|1,0,0]=3 4196 B9R1.8 BrCCc1ccccn1 Amb1102303 [0,1,0,0,0,1|2,0,0]=4 4197 B9R1.8 BrCCc1ccccn1 Amb17935743 [0,1,0,0,0,1|2,0,0]=4 4198 B9R1.8 BrCCc1cccnc1 Amb19069960 [0,1,0,0,0,1|2,0,0]=4 4199 B9R1.8 BrCCc1cccnc1 Amb19372982 [0,1,0,0,0,1|2,0,0]=4 4200 B9R1.8 BrCCc1ccncc1 Amb18326675 [0,1,0,0,0,1|2,0,0]=4 4201 B9R1.8 BrCCc1ccncc1 Amb33313562 [0,1,0,0,0,1|2,0,0]=4 4202 B9R1.8 BrCCc1ccncn1 Amb25681855 [0,1,0,0,0,1|2,0,0]=4 4203 B9R1.8 BrCCc1cnccn1 Amb24652166 [0,1,0,0,0,1|2,0,0]=4 4204 B9R1.8 BrCCc1ncccn1 Amb27813162 [0,1,0,0,0,1|2,0,0]=4 4205 B9R1.8 C#CCc1ccccn1 Amb25759001 [0,1,0,0,0,1|2,0,0]=4 4206 B9R1.8 C#CCc1cccnc1 Amb27219897 [0,1,0,0,0,1|2,0,0]=4 4207 B9R1.8 C#CCc1ccncc1 Amb24478677 [0,1,0,0,0,1|2,0,0]=4 4208 B9R1.8 C#CCc1ccncn1 Amb33268592 [0,1,0,0,0,1|2,0,0]=4 4209 B9R1.8 C#CCc1cnccn1 Amb33359973 [0,1,0,0,0,1|2,0,0]=4 4210 B9R1.8 C#CCc1ncccn1 Amb33270390 [0,1,0,0,0,1|2,0,0]=4 4211 B9R1.8 C#NCc1ccccc1 Amb31132452 [0,1,0,0,0,1|2,0,0]=4 4212 B9R1.8 C#NCc1ccccn1 Amb31132453 [0,1,0,0,0,1|2,0,0]=4 4213 B9R1.8 C#NCc1cccnc1 Amb31132454 [0,1,0,0,0,1|2,0,0]=4 4214 B9R1.8 C#NCc1ccncc1 Amb31132455 [0,1,0,0,0,1|2,0,0]=4 4215 B9R1.8 C=CCc1ccccc1 Amb2599341 [0,1,0,0,0,1|2,0,0]=4 4216 B9R1.8 C=CCc1cccnc1 Amb24477831 [0,1,0,0,0,1|2,0,0]=4 4217 B9R1.8 C=NCc1ccccc1 Amb28256747 [0,1,0,0,0,1|2,0,0]=4 4218 B9R1.8 C=NCc1ccncc1 Amb27758185 [0,1,0,0,0,1|2,0,0]=4 4219 B9R1.8 CCCc1ccccc1 Amb2447143 [0,1,0,0,0,1|2,0,0]=4 4220 B9R1.8 CCCc1ccccn1 Amb6366812 [0,1,0,0,0,1|2,0,0]=4 4221 B9R1.8 CCCc1cccnc1 Amb2613018 [0,1,0,0,0,1|2,0,0]=4 4222 B9R1.8 CCCc1cccnn1 Amb24447402 [0,1,0,0,0,1|2,0,0]=4 4223 B9R1.8 CCCc1ccncc1 Amb4017941 [0,1,0,0,0,1|2,0,0]=4 4224 B9R1.8 CCCc1ccncn1 Amb24070638 [0,1,0,0,0,1|2,0,0]=4 4225 B9R1.8 CCCc1cnccn1 Amb2690413 [0,1,0,0,0,1|2,0,0]=4 4226 B9R1.8 CCNc1ccccc1 Amb3940127 [0,1,0,0,0,1|2,0,0]=4 4227 B9R1.8 CCNc1ccccn1 Amb6640743 [0,1,0,0,0,1|2,0,0]=4 4228 B9R1.8 CCNc1cccnc1 Amb6686634 [0,1,0,0,0,1|2,0,0]=4 4229 B9R1.8 CCNc1cccnn1 Amb18286130 [0,1,0,0,0,1|2,0,0]=4 4230 B9R1.8 CCNc1ccncc1 Amb33545749 [0,1,0,0,0,1|2,0,0]=4 4231 B9R1.8 CCNc1ccncn1 Amb18282107 [0,1,0,0,0,1|2,0,0]=4 4232 B9R1.8 CCNc1ncccn1 Amb6633030 [0,1,0,0,0,1|2,0,0]=4 4233 B9R1.8 CCOc1ccccc1 Amb2842270 [0,1,0,0,0,1|2,0,0]=4 4234 B9R1.8 CCOc1ccccn1 Amb2609960 [0,1,0,0,0,1|2,0,0]=4 4235 B9R1.8 CCOc1cccnc1 Amb10573342 [0,1,0,0,0,1|2,0,0]=4 4236 B9R1.8 CCOc1cccnn1 Amb19958352 [0,1,0,0,0,1|2,0,0]=4 4237 B9R1.8 CCOc1ccncc1 Amb8396897 [0,1,0,0,0,1|2,0,0]=4 4238 B9R1.8 CCOc1cnccn1 Amb8387604 [0,1,0,0,0,1|2,0,0]=4 4239 B9R1.8 CCSc1ccccc1 Amb2687929 [0,1,0,0,0,1|2,0,0]=4 4240 B9R1.8 CCSc1ccccn1 Amb26656831 [0,1,0,0,0,1|2,0,0]=4 4241 B9R1.8 CCSc1ccncc1 Amb27766422 [0,1,0,0,0,1|2,0,0]=4 4242 B9R1.8 CNCc1ccccc1 Amb3699562 [0,1,0,0,0,1|2,0,0]=4 4243 B9R1.8 CNCc1ccccn1 Amb10068750 [0,1,0,0,0,1|2,0,0]=4 4244 B9R1.8 CNCc1ccccn1 Amb10576408 [0,1,0,0,0,1|2,0,0]=4 4245 B9R1.8 CNCc1ccccn1 Amb3941148 [0,1,0,0,0,1|2,0,0]=4 4246 B9R1.8 CNCc1cccnc1 Amb10066918 [0,1,0,0,0,1|2,0,0]=4 4247 B9R1.8 CNCc1cccnc1 Amb10576409 [0,1,0,0,0,1|2,0,0]=4 4248 B9R1.8 CNCc1cccnc1 Amb1648828 [0,1,0,0,0,1|2,0,0]=4 4249 B9R1.8 CNCc1cccnn1 Amb32667437 [0,1,0,0,0,1|2,0,0]=4 4250 B9R1.8 CNCc1cccnn1 Amb8010012 [0,1,0,0,0,1|2,0,0]=4 4251 B9R1.8 CNCc1ccncc1 Amb10068773 [0,1,0,0,0,1|2,0,0]=4 4252 B9R1.8 CNCc1ccncc1 Amb1115812 [0,1,0,0,0,1|2,0,0]=4 4253 B9R1.8 CNCc1ccncn1 Amb21962059 [0,1,0,0,0,1|2,0,0]=4 4254 B9R1.8 CNCc1ccncn1 Amb22587684 [0,1,0,0,0,1|2,0,0]=4 4255 B9R1.8 CNCc1ccncn1 Amb3941356 [0,1,0,0,0,1|2,0,0]=4 4256 B9R1.8 CNCc1cnccn1 Amb1094140 [0,1,0,0,0,1|2,0,0]=4 4257 B9R1.8 CNCc1cnccn1 Amb21959600 [0,1,0,0,0,1|2,0,0]=4 4258 B9R1.8 CNCc1ncccn1 Amb30585159 [0,1,0,0,0,1|2,0,0]=4 4259 B9R1.8 CNCc1ncccn1 Amb8010518 [0,1,0,0,0,1|2,0,0]=4 4260 B9R1.8 COCc1ccccc1 Amb2782562 [0,1,0,0,0,1|1,0,0]=3 4261 B9R1.8 COCc1ccccn1 Amb4017561 [0,1,0,0,0,1|1,0,0]=3 4262 B9R1.8 COCc1ccnnc1 Amb27224297 [0,1,0,0,0,1|2,0,0]=4 4263 B9R1.8 COCc1cnccn1 Amb24656513 [0,1,0,0,0,1|1,0,0]=3 4264 B9R1.8 CSCc1ccccn1 Amb27837576 [0,1,0,0,0,1|1,1,0]=4 4265 B9R1.8 CSCc1cccnc1 Amb24523080 [0,1,0,0,0,1|1,1,0]=4 4266 B9R1.8 C[NH2+]Cc1ccccc1 Amb20648430 [0,1,0,0,0,1|2,0,0]=4 4267 B9R1.8 ClCCc1ccccc1 Amb535682 [0,1,0,0,0,1|2,0,0]=4 4268 B9R1.8 ClCCc1ccccn1 Amb1102254 [0,1,0,0,0,1|2,0,0]=4 4269 B9R1.8 ClCCc1ccccn1 Amb19892295 [0,1,0,0,0,1|2,0,0]=4 4270 B9R1.8 ClCCc1cccnc1 Amb24061504 [0,1,0,0,0,1|2,0,0]=4 4271 B9R1.8 ClCCc1ccncc1 Amb23400891 [0,1,0,0,0,1|2,0,0]=4 4272 B9R1.8 ClCCc1ccncc1 Amb9004339 [0,1,0,0,0,1|2,0,0]=4 4273 B9R1.8 ClCCc1cnccn1 Amb33291299 [0,1,0,0,0,1|2,0,0]=4 4274 B9R1.8 ClCOc1ccccc1 Amb22059503 [0,1,0,0,0,1|2,0,0]=4 4275 B9R1.8 ClCSc1ccccn1 Amb27603302 [0,1,0,0,0,1|2,0,0]=4 4276 B9R1.8 ClCSc1ccncc1 Amb27185726 [0,1,0,0,0,1|2,0,0]=4 4277 B9R1.8 ClCSc1ncccn1 Amb2459898 [0,1,0,0,0,1|2,0,0]=4 4278 B9R1.8 ClNCc1cccnc1 Amb27951574 [0,1,0,0,0,1|2,0,0]=4 4279 B9R1.8 ICCc1ccccc1 Amb8515353 [0,1,0,0,0,1|2,0,0]=4 4280 B9R1.8 ICCc1cccnc1 Amb33534604 [0,1,0,0,0,1|2,0,0]=4 4281 B9R1.8 ICCc1ccncc1 Amb28383331 [0,1,0,0,0,1|2,0,0]=4 4282 B9R1.8 ICCc1cnccn1 Amb29849698 [0,1,0,0,0,1|2,0,0]=4 4283 B9R1.8 ICSc1ncccn1 Amb27631759 [0,1,0,0,0,1|2,0,0]=4 4284 B9R1.8 N#CCc1ccccc1 Amb3598087 [0,1,0,0,0,1|2,0,0]=4 4285 B9R1.8 N#CCc1ccccn1 Amb845695 [0,1,0,0,0,1|2,0,0]=4 4286 B9R1.8 N#CCc1cccnc1 Amb2695344 [0,1,0,0,0,1|2,0,0]=4 4287 B9R1.8 N#CCc1cccnn1 Amb22264435 [0,1,0,0,0,1|2,0,0]=4 4288 B9R1.8 N#CCc1ccncc1 Amb6661799 [0,1,0,0,0,1|2,0,0]=4 4289 B9R1.8 N#CCc1ccncc1 Amb8516296 [0,1,0,0,0,1|2,0,0]=4 4290 B9R1.8 N#CCc1ccncn1 Amb22001990 [0,1,0,0,0,1|2,0,0]=4 4291 B9R1.8 N#CCc1cnccn1 Amb17106784 [0,1,0,0,0,1|2,0,0]=4 4292 B9R1.8 N#CCc1ncccn1 Amb19929361 [0,1,0,0,0,1|2,0,0]=4 4293 B9R1.8 NCCc1ccccc1 Amb17843439 [0,1,0,0,0,1|2,0,0]=4 4294 B9R1.8 NCCc1ccccc1 Amb2792829 [0,1,0,0,0,1|2,0,0]=4 4295 B9R1.8 NCCc1ccccn1 Amb1156071 [0,1,0,0,0,1|2,0,0]=4 4296 B9R1.8 NCCc1ccccn1 Amb24066975 [0,1,0,0,0,1|2,0,0]=4 4297 B9R1.8 NCCc1cccnc1 Amb1134784 [0,1,0,0,0,1|2,0,0]=4 4298 B9R1.8 NCCc1cccnc1 Amb16230500 [0,1,0,0,0,1|2,0,0]=4 4299 B9R1.8 NCCc1cccnc1 Amb20241523 [0,1,0,0,0,1|2,0,0]=4 4300 B9R1.8 NCCc1cccnc1 Amb8631307 [0,1,0,0,0,1|2,0,0]=4 4301 B9R1.8 NCCc1cccnn1 Amb23592188 [0,1,0,0,0,1|2,0,0]=4 4302 B9R1.8 NCCc1ccncc1 Amb1102164 [0,1,0,0,0,1|2,0,0]=4 4303 B9R1.8 NCCc1ccncc1 Amb8631358 [0,1,0,0,0,1|2,0,0]=4 4304 B9R1.8 NCCc1ccncn1 Amb22899210 [0,1,0,0,0,1|2,0,0]=4 4305 B9R1.8 NCCc1ccncn1 Amb8009432 [0,1,0,0,0,1|2,0,0]=4 4306 B9R1.8 NCCc1cnccn1 Amb10067912 [0,1,0,0,0,1|2,0,0]=4 4307 B9R1.8 NCCc1cnccn1 Amb1995199 [0,1,0,0,0,1|2,0,0]=4 4308 B9R1.8 NCCc1cnccn1 Amb22756001 [0,1,0,0,0,1|2,0,0]=4 4309 B9R1.8 NCCc1cnccn1 Amb24066949 [0,1,0,0,0,1|2,0,0]=4 4310 B9R1.8 NCCc1cnccn1 Amb30526944 [0,1,0,0,0,1|2,0,0]=4 4311 B9R1.8 NCCc1ncccn1 Amb17074351 [0,1,0,0,0,1|2,0,0]=4 4312 B9R1.8 NCCc1ncccn1 Amb18199432 [0,1,0,0,0,1|2,0,0]=4 4313 B9R1.8 NCCc1ncccn1 Amb23399636 [0,1,0,0,0,1|2,0,0]=4 4314 B9R1.8 NCNc1ccccc1 Amb17117015 [0,1,0,0,0,1|2,0,0]=4 4315 B9R1.8 NCOc1ccccc1 Amb25128781 [0,1,0,0,0,1|2,0,0]=4 4316 B9R1.8 NNCc1ccccc1 Amb1105200 [0,1,0,0,0,1|2,0,0]=4 4317 B9R1.8 NNCc1ccccc1 Amb16231890 [0,1,0,0,0,1|2,0,0]=4 4318 B9R1.8 NNCc1ccccc1 Amb22492438 [0,1,0,0,0,1|2,0,0]=4 4319 B9R1.8 NNCc1ccccc1 Amb8513062 [0,1,0,0,0,1|2,0,0]=4 4320 B9R1.8 NNCc1ccccc1 Amb9826089 [0,1,0,0,0,1|2,0,0]=4 4321 B9R1.8 NNCc1ccccn1 Amb1117330 [0,1,0,0,0,1|2,0,0]=4 4322 B9R1.8 NNCc1ccccn1 Amb28984160 [0,1,0,0,0,1|2,0,0]=4 4323 B9R1.8 NNCc1ccccn1 Amb6892424 [0,1,0,0,0,1|2,0,0]=4 4324 B9R1.8 NNCc1cccnc1 Amb1121062 [0,1,0,0,0,1|2,0,0]=4 4325 B9R1.8 NNCc1cccnc1 Amb22491471 [0,1,0,0,0,1|2,0,0]=4 4326 B9R1.8 NNCc1cccnc1 Amb33551495 [0,1,0,0,0,1|2,0,0]=4 4327 B9R1.8 NNCc1cccnn1 Amb23586393 [0,1,0,0,0,1|2,0,0]=4 4328 B9R1.8 NNCc1cccnn1 Amb32409726 [0,1,0,0,0,1|2,0,0]=4 4329 B9R1.8 NNCc1ccncc1 Amb1118337 [0,1,0,0,0,1|2,0,0]=4 4330 B9R1.8 NNCc1ccncc1 Amb19893255 [0,1,0,0,0,1|2,0,0]=4 4331 B9R1.8 NNCc1ccncc1 Amb2691315 [0,1,0,0,0,1|2,0,0]=4 4332 B9R1.8 NNCc1ccncc1 Amb28984138 [0,1,0,0,0,1|2,0,0]=4 4333 B9R1.8 NNCc1ccncn1 Amb23586399 [0,1,0,0,0,1|2,0,0]=4 4334 B9R1.8 NNCc1cnccn1 Amb21964577 [0,1,0,0,0,1|2,0,0]=4 4335 B9R1.8 NNCc1cnccn1 Amb6244488 [0,1,0,0,0,1|2,0,0]=4 4336 B9R1.8 NNCc1ncccn1 Amb23439061 [0,1,0,0,0,1|2,0,0]=4 4337 B9R1.8 NOCc1ccccc1 Amb1154307 [0,1,0,0,0,1|1,0,0]=3 4338 B9R1.8 NOCc1ccccc1 Amb22489499 [0,1,0,0,0,1|1,0,0]=3 4339 B9R1.8 NOCc1ccccc1 Amb6600539 [0,1,0,0,0,1|1,0,0]=3 4340 B9R1.8 NOCc1ccccn1 Amb18642195 [0,1,0,0,0,1|1,0,0]=3 4341 B9R1.8 NOCc1ccccn1 Amb32663271 [0,1,0,0,0,1|1,0,0]=3 4342 B9R1.8 NOCc1cccnc1 Amb24074265 [0,1,0,0,0,1|1,0,0]=3 4343 B9R1.8 NOCc1cccnc1 Amb33546939 [0,1,0,0,0,1|1,0,0]=3 4344 B9R1.8 NOCc1ccncc1 Amb22397036 [0,1,0,0,0,1|1,0,0]=3 4345 B9R1.8 NOCc1ccncn1 Amb26557423 [0,1,0,0,0,1|1,0,0]=3 4346 B9R1.8 NOCc1cnccn1 Amb27642916 [0,1,0,0,0,1|1,0,0]=3 4347 B9R1.8 NOCc1cncnc1 Amb33149200 [0,1,0,0,0,1|2,0,0]=4 4348 B9R1.8 NOCc1ncccn1 Amb25702287 [0,1,0,0,0,1|1,0,0]=3 4349 B9R1.8 O=CCc1ccccc1 Amb3939950 [0,1,0,0,0,1|1,0,1]=4 4350 B9R1.8 O=CCc1ccccn1 Amb17089528 [0,1,0,0,0,1|1,0,1]=4 4351 B9R1.8 O=CCc1cccnc1 Amb8011002 [0,1,0,0,0,1|1,0,1]=4 4352 B9R1.8 O=CCc1ccncc1 Amb17089529 [0,1,0,0,0,1|1,0,1]=4 4353 B9R1.8 O=CCc1cnccn1 Amb25124492 [0,1,0,0,0,1|1,0,1]=4 4354 B9R1.8 O=CCc1ncccn1 Amb24061341 [0,1,0,0,0,1|1,0,1]=4 4355 B9R1.8 OCCC1=CCCCO1 Amb25266822 [0,1,0,0,0,1|0,0,2]=4 4356 B9R1.8 OCCC1C=COCO1 Amb28049220 [0,1,0,0,0,1|0,0,2]=4 4357 B9R1.8 OCCC1CCC=CO1 Amb24481996 [0,1,0,0,0,1|0,0,2]=4 4358 B9R1.8 OCC[n+]1ccccc1 Amb27839429 [0,1,0,0,0,1|2,0,0]=4 4359 B9R1.8 OCCc1ccccc1 Amb2793058 [0,1,0,0,0,1|1,0,0]=3 4360 B9R1.8 OCCc1ccccn1 Amb3939045 [0,1,0,0,0,1|1,0,0]=3 4361 B9R1.8 OCCc1cccnc1 Amb2688750 [0,1,0,0,0,1|1,0,0]=3 4362 B9R1.8 OCCc1cccnn1 Amb25086060 [0,1,0,0,0,1|1,0,0]=3 4363 B9R1.8 OCCc1ccncc1 Amb3939219 [0,1,0,0,0,1|1,0,0]=3 4364 B9R1.8 OCCc1ccncn1 Amb17593271 [0,1,0,0,0,1|1,0,0]=3 4365 B9R1.8 OCCc1ccnnc1 Amb23559765 [0,1,0,0,0,1|2,0,0]=4 4366 B9R1.8 OCCc1cnccn1 Amb2695474 [0,1,0,0,0,1|1,0,0]=3 4367 B9R1.8 OCCc1cncnc1 Amb20240921 [0,1,0,0,0,1|2,0,0]=4 4368 B9R1.8 OCCc1ncccn1 Amb22896758 [0,1,0,0,0,1|1,0,0]=3 4369 B9R1.8 OCSc1ccccc1 Amb27776457 [0,1,0,0,0,1|1,0,0]=3 4370 B9R1.8 ONCc1ccccc1 Amb22001943 [0,1,0,0,0,1|1,0,0]=3 4371 B9R1.8 ONCc1ccccc1 Amb9825936 [0,1,0,0,0,1|1,0,0]=3 4372 B9R1.8 ONCc1ccccn1 Amb28457793 [0,1,0,0,0,1|1,0,0]=3 4373 B9R1.8 ONCc1ccccn1 Amb32680372 [0,1,0,0,0,1|1,0,0]=3 4374 B9R1.8 ONCc1cccnc1 Amb25147084 [0,1,0,0,0,1|1,0,0]=3 4375 B9R1.8 ONCc1ccncc1 Amb25851052 [0,1,0,0,0,1|1,0,0]=3 4376 B9R1.8 ONCc1ccncn1 Amb23586394 [0,1,0,0,0,1|1,0,0]=3 4377 B9R1.8 ONCc1cnccn1 Amb25936839 [0,1,0,0,0,1|1,0,0]=3 4378 B9R1.8 ONCc1cncnc1 Amb28066281 [0,1,0,0,0,1|2,0,0]=4 4379 B9R1.8 ONCc1ncccn1 Amb23586395 [0,1,0,0,0,1|1,0,0]=3 4380 B9R1.8 O\N=C/C1=CNC=CC1 Amb27862035 [0,1,0,0,0,1|1,0,1]=4 4381 B9R1.8 O\N=C/c1ccccc1 Amb6298335 [0,1,0,0,0,1|1,0,1]=4 4382 B9R1.8 O\N=C/c1ccncc1 Amb9821776 [0,1,0,0,0,1|1,0,1]=4 4383 B9R1.8 O\N=C\c1ccccc1 Amb2223191 [0,1,0,0,0,1|1,0,1]=4 4384 B9R1.8 O\N=C\c1ccccn1 Amb719680 [0,1,0,0,0,1|1,0,1]=4 4385 B9R1.8 O\N=C\c1cccnc1 Amb3427823 [0,1,0,0,0,1|1,0,1]=4 4386 B9R1.8 O\N=C\c1cccnn1 Amb23539035 [0,1,0,0,0,1|1,0,1]=4 4387 B9R1.8 O\N=C\c1ccncc1 Amb1793802 [0,1,0,0,0,1|1,0,1]=4 4388 B9R1.8 O\N=C\c1ccncn1 Amb20668794 [0,1,0,0,0,1|1,0,1]=4 4389 B9R1.8 O\N=C\c1cnccn1 Amb27185837 [0,1,0,0,0,1|1,0,1]=4 4390 B9R1.8 O\N=N\c1ccccn1 Amb17940654 [0,1,0,0,0,1|2,0,0]=4 4391 B9R1.8 SCCc1ccccc1 Amb6255605 [0,1,0,0,0,1|1,1,0]=4 4392 B9R1.8 SCCc1ccccn1 Amb17619707 [0,1,0,0,0,1|1,1,0]=4 4393 B9R1.8 SCCc1cccnc1 Amb22008806 [0,1,0,0,0,1|1,1,0]=4 4394 B9R1.8 SCCc1ccncc1 Amb10552830 [0,1,0,0,0,1|1,1,0]=4 4395 B9R1.8 SCCc1ccncc1 Amb9800962 [0,1,0,0,0,1|1,1,0]=4 4396 B9R1.8 SCCc1ccncn1 Amb33267506 [0,1,0,0,0,1|1,1,0]=4 4397 B9R1.8 SCCc1cnccn1 Amb8392837 [0,1,0,0,0,1|1,1,0]=4 4398 B9R1.8 SCCc1ncccn1 Amb33270002 [0,1,0,0,0,1|1,1,0]=4 4399 B9R1.8 SSCc1ccccc1 Amb27646980 [0,1,0,0,0,1|1,1,0]=4 4400 B9R1.8 [C-]#[N+]Cc1ccccc1 Amb2234859 [0,1,0,0,0,1|2,0,0]=4 4401 B9R1.8 [C-]#[N+]Cc1ccccn1 Amb1981098 [0,1,0,0,0,1|2,0,0]=4 4402 B9R1.8 [C-]#[N+]Cc1cccnc1 Amb1981058 [0,1,0,0,0,1|2,0,0]=4 4403 B9R1.8 [C-]#[N+]Cc1ccncc1 Amb1981059 [0,1,0,0,0,1|2,0,0]=4 4404 B9R1.8 [C-]#[N+]Cc1ncccn1 Amb33745556 [0,1,0,0,0,1|2,0,0]=4 4405 B9R1.8 [NH3+]CCc1ccccc1 Amb17843435 [0,1,0,0,0,1|2,0,0]=4 4406 B9R1.8 [NH3+]OCc1ccccc1 Amb9786371 [0,1,0,0,0,1|1,0,0]=3 4407 B9R1.15 Bc1ccccc1CN Amb27463133 [0,1,0,0,0,1|2,0,0]=4 4408 B9R1.15 BrCc1ccccc1Br Amb1152530 [0,1,0,0,0,1|2,0,0]=4 4409 B9R1.15 BrCc1ccccc1I Amb8397039 [0,1,0,0,0,1|2,0,0]=4 4410 B9R1.15 BrCc1cccnc1Br Amb10071486 [0,1,0,0,0,1|2,0,0]=4 4411 B9R1.15 BrCc1cccnc1Br Amb10608824 [0,1,0,0,0,1|2,0,0]=4 4412 B9R1.15 BrCc1ccncc1Br Amb22898756 [0,1,0,0,0,1|2,0,0]=4 4413 B9R1.15 BrCc1ccncc1Br Amb32671433 [0,1,0,0,0,1|2,0,0]=4 4414 B9R1.15 BrCc1cnccc1Br Amb25921109 [0,1,0,0,0,1|2,0,0]=4 4415 B9R1.15 BrCc1ncccc1Br Amb22728103 [0,1,0,0,0,1|2,0,0]=4 4416 B9R1.15 BrCc1ncccc1Br Amb33527603 [0,1,0,0,0,1|2,0,0]=4 4417 B9R1.15 BrCc1ncncc1Br Amb27424639 [0,1,0,0,0,1|2,0,0]=4 4418 B9R1.15 CCC1=CNC=CC1=N Amb22126003 [0,1,0,0,0,1|2,0,0]=4 4419 B9R1.15 CCC1=CNC=CC1=O Amb24062648 [0,1,0,0,0,1|2,0,0]=4 4420 B9R1.15 CCC1=NC=CNC1=O Amb21912469 [0,1,0,0,0,1|2,0,0]=4 4421 B9R1.15 CCC1=NC=CNC1=O Amb33482713 [0,1,0,0,0,1|2,0,0]=4 4422 B9R1.15 CCc1cccc[n+]1N Amb27424792 [0,1,0,0,0,1|2,0,0]=4 4423 B9R1.15 CCc1cccc[n+]1[O-] Amb2694608 [0,1,0,0,0,1|2,0,0]=4 4424 B9R1.15 CCc1ccccc1Br Amb3939183 [0,1,0,0,0,1|2,0,0]=4 4425 B9R1.15 CCc1ccccc1C Amb8397274 [0,1,0,0,0,1|2,0,0]=4 4426 B9R1.15 CCc1ccccc1Cl Amb2685897 [0,1,0,0,0,1|2,0,0]=4 4427 B9R1.15 CCc1ccccc1F Amb10840487 [0,1,0,0,0,1|2,0,0]=4 4428 B9R1.15 CCc1ccccc1I Amb2688848 [0,1,0,0,0,1|2,0,0]=4 4429 B9R1.15 CCc1ccccc1N Amb2792823 [0,1,0,0,0,1|2,0,0]=4 4430 B9R1.15 CCc1ccccc1O Amb3939546 [0,1,0,0,0,1|2,0,0]=4 4431 B9R1.15 CCc1ccccc1S Amb2687958 [0,1,0,0,0,1|2,0,0]=4 4432 B9R1.15 CCc1cccnc1Br Amb24319268 [0,1,0,0,0,1|2,0,0]=4 4433 B9R1.15 CCc1cccnc1C Amb22169849 [0,1,0,0,0,1|2,0,0]=4 4434 B9R1.15 CCc1cccnc1Cl Amb19516800 [0,1,0,0,0,1|2,0,0]=4 4435 B9R1.15 CCc1cccnc1F Amb8396947 [0,1,0,0,0,1|2,0,0]=4 4436 B9R1.15 CCc1cccnc1I Amb27156636 [0,1,0,0,0,1|2,0,0]=4 4437 B9R1.15 CCc1cccnc1N Amb31291141 [0,1,0,0,0,1|2,0,0]=4 4438 B9R1.15 CCc1cccnc1N Amb8386854 [0,1,0,0,0,1|2,0,0]=4 4439 B9R1.15 CCc1cccnc1O Amb21864629 [0,1,0,0,0,1|2,0,0]=4 4440 B9R1.15 CCc1ccncc1Br Amb21857366 [0,1,0,0,0,1|2,0,0]=4 4441 B9R1.15 CCc1ccncc1Cl Amb22748741 [0,1,0,0,0,1|2,0,0]=4 4442 B9R1.15 CCc1ccncc1F Amb19959241 [0,1,0,0,0,1|2,0,0]=4 4443 B9R1.15 CCc1ccncc1N Amb18832983 [0,1,0,0,0,1|2,0,0]=4 4444 B9R1.15 CCc1ccncc1O Amb18642098 [0,1,0,0,0,1|2,0,0]=4 4445 B9R1.15 CCc1cnccc1Br Amb20617488 [0,1,0,0,0,1|2,0,0]=4 4446 B9R1.15 CCc1cnccc1Br Amb30633552 [0,1,0,0,0,1|2,0,0]=4 4447 B9R1.15 CCc1cnccc1Br Amb31307736 [0,1,0,0,0,1|2,0,0]=4 4448 B9R1.15 CCc1cnccc1Cl Amb25188972 [0,1,0,0,0,1|2,0,0]=4 4449 B9R1.15 CCc1cnccc1N Amb19514793 [0,1,0,0,0,1|2,0,0]=4 4450 B9R1.15 CCc1ncccc1Br Amb22233901 [0,1,0,0,0,1|2,0,0]=4 4451 B9R1.15 CCc1ncccc1Cl Amb22497670 [0,1,0,0,0,1|2,0,0]=4 4452 B9R1.15 CCc1ncccc1F Amb27836980 [0,1,0,0,0,1|2,0,0]=4 4453 B9R1.15 CCc1ncccc1N Amb18832982 [0,1,0,0,0,1|2,0,0]=4 4454 B9R1.15 CCc1ncccc1O Amb6468133 [0,1,0,0,0,1|2,0,0]=4 4455 B9R1.15 CCc1nccnc1C Amb8387606 [0,1,0,0,0,1|2,0,0]=4 4456 B9R1.15 CCc1nccnc1Cl Amb8387487 [0,1,0,0,0,1|2,0,0]=4 4457 B9R1.15 CCc1nccnc1N Amb22234764 [0,1,0,0,0,1|2,0,0]=4 4458 B9R1.15 CCc1nccnc1S Amb35602545 [0,1,0,0,0,1|2,0,0]=4 4459 B9R1.15 CCc1ncncc1Br Amb10068158 [0,1,0,0,0,1|2,0,0]=4 4460 B9R1.15 CCc1ncncc1F Amb8387754 [0,1,0,0,0,1|2,0,0]=4 4461 B9R1.15 CCc1ncncc1N Amb18677215 [0,1,0,0,0,1|2,0,0]=4 4462 B9R1.15 CCc1ncncc1O Amb27852447 [0,1,0,0,0,1|2,0,0]=4 4463 B9R1.15 CCc1nnccc1C Amb27441771 [0,1,0,0,0,1|2,0,0]=4 4464 B9R1.15 COC1=COC=CC1=O Amb25735758 [0,1,0,0,0,1|2,0,0]=4 4465 B9R1.15 C[C@@H]1CC=CO[C@@H]1CO Amb27215397 [0,1,0,0,0,1|0,0,2]=4 4466 B9R1.15 Cc1ccccc1CBr Amb3939708 [0,1,0,0,0,1|2,0,0]=4 4467 B9R1.15 Cc1ccccc1CCl Amb2792896 [0,1,0,0,0,1|2,0,0]=4 4468 B9R1.15 Cc1ccccc1CN Amb1651810 [0,1,0,0,0,1|2,0,0]=4 4469 B9R1.15 Cc1ccccc1CN Amb24065797 [0,1,0,0,0,1|2,0,0]=4 4470 B9R1.15 Cc1ccccc1CO Amb837463 [0,1,0,0,0,1|1,0,0]=3 4471 B9R1.15 Cc1ccccc1CS Amb2726199 [0,1,0,0,0,1|1,1,0]=4 4472 B9R1.15 Cc1ccccc1NO Amb21961958 [0,1,0,0,0,1|2,0,0]=4 4473 B9R1.15 Cc1ccccc1[NH2+]O Amb24113085 [0,1,0,0,0,1|2,0,0]=4 4474 B9R1.15 Cc1cccnc1CBr Amb1935083 [0,1,0,0,0,1|2,0,0]=4 4475 B9R1.15 Cc1cccnc1CBr Amb2692416 [0,1,0,0,0,1|2,0,0]=4 4476 B9R1.15 Cc1cccnc1CCl Amb21964607 [0,1,0,0,0,1|2,0,0]=4 4477 B9R1.15 Cc1cccnc1CCl Amb3941355 [0,1,0,0,0,1|2,0,0]=4 4478 B9R1.15 Cc1cccnc1CN Amb22233790 [0,1,0,0,0,1|2,0,0]=4 4479 B9R1.15 Cc1cccnc1CN Amb2684467 [0,1,0,0,0,1|2,0,0]=4 4480 B9R1.15 Cc1cccnc1CO Amb22233995 [0,1,0,0,0,1|1,0,0]=3 4481 B9R1.15 Cc1cccnc1CO Amb2695614 [0,1,0,0,0,1|1,0,0]=3 4482 B9R1.15 Cc1cccnc1CS Amb25284674 [0,1,0,0,0,1|1,1,0]=4 4483 B9R1.15 Cc1ccncc1CBr Amb21964366 [0,1,0,0,0,1|2,0,0]=4 4484 B9R1.15 Cc1ccncc1CBr Amb22436775 [0,1,0,0,0,1|2,0,0]=4 4485 B9R1.15 Cc1ccncc1CCl Amb20668411 [0,1,0,0,0,1|2,0,0]=4 4486 B9R1.15 Cc1ccncc1CN Amb22500751 [0,1,0,0,0,1|2,0,0]=4 4487 B9R1.15 Cc1ccncc1CN Amb22747290 [0,1,0,0,0,1|2,0,0]=4 4488 B9R1.15 Cc1ccncc1CN Amb8010867 [0,1,0,0,0,1|2,0,0]=4 4489 B9R1.15 Cc1ccncc1CO Amb19892286 [0,1,0,0,0,1|1,0,0]=3 4490 B9R1.15 Cc1ccncc1CS Amb25839891 [0,1,0,0,0,1|1,1,0]=4 4491 B9R1.15 Cc1ccnnc1CN Amb25873380 [0,1,0,0,0,1|2,0,0]=4 4492 B9R1.15 Cc1ccnnc1CN Amb31308531 [0,1,0,0,0,1|2,0,0]=4 4493 B9R1.15 Cc1cnccc1CBr Amb24752357 [0,1,0,0,0,1|2,0,0]=4 4494 B9R1.15 Cc1cnccc1CCl Amb19516653 [0,1,0,0,0,1|2,0,0]=4 4495 B9R1.15 Cc1cnccc1CCl Amb30526965 [0,1,0,0,0,1|2,0,0]=4 4496 B9R1.15 Cc1cnccc1CN Amb2695617 [0,1,0,0,0,1|2,0,0]=4 4497 B9R1.15 Cc1cnccc1CN Amb8630132 [0,1,0,0,0,1|2,0,0]=4 4498 B9R1.15 Cc1cnccc1CO Amb2695451 [0,1,0,0,0,1|1,0,0]=3 4499 B9R1.15 Cc1cnccc1CS Amb26925948 [0,1,0,0,0,1|1,1,0]=4 4500 B9R1.15 Cc1cnccc1NO Amb27652342 [0,1,0,0,0,1|2,0,0]=4 4501 B9R1.15 Cc1cncnc1CCl Amb23403013 [0,1,0,0,0,1|2,0,0]=4 4502 B9R1.15 Cc1cncnc1CO Amb26331108 [0,1,0,0,0,1|1,0,0]=3 4503 B9R1.15 Cc1ncccc1CBr Amb18850480 [0,1,0,0,0,1|2,0,0]=4 4504 B9R1.15 Cc1ncccc1CBr Amb20671009 [0,1,0,0,0,1|2,0,0]=4 4505 B9R1.15 Cc1ncccc1CCl Amb18851725 [0,1,0,0,0,1|2,0,0]=4 4506 B9R1.15 Cc1ncccc1CCl Amb20171422 [0,1,0,0,0,1|2,0,0]=4 4507 B9R1.15 Cc1ncccc1CN Amb22747289 [0,1,0,0,0,1|2,0,0]=4 4508 B9R1.15 Cc1ncccc1CN Amb33542974 [0,1,0,0,0,1|2,0,0]=4 4509 B9R1.15 Cc1ncccc1CO Amb33533075 [0,1,0,0,0,1|1,0,0]=3 4510 B9R1.15 Cc1ncccc1CS Amb18852312 [0,1,0,0,0,1|1,1,0]=4 4511 B9R1.15 Cc1nccnc1CBr Amb22751199 [0,1,0,0,0,1|2,0,0]=4 4512 B9R1.15 Cc1nccnc1CBr Amb35752591 [0,1,0,0,0,1|2,0,0]=4 4513 B9R1.15 Cc1nccnc1CCl Amb19516783 [0,1,0,0,0,1|2,0,0]=4 4514 B9R1.15 Cc1nccnc1CCl Amb22587268 [0,1,0,0,0,1|2,0,0]=4 4515 B9R1.15 Cc1nccnc1CI Amb22751201 [0,1,0,0,0,1|2,0,0]=4 4516 B9R1.15 Cc1nccnc1CN Amb22899640 [0,1,0,0,0,1|2,0,0]=4 4517 B9R1.15 Cc1nccnc1CN Amb35788475 [0,1,0,0,0,1|2,0,0]=4 4518 B9R1.15 Cc1nccnc1CN Amb8009821 [0,1,0,0,0,1|2,0,0]=4 4519 B9R1.15 Cc1nccnc1CO Amb19516781 [0,1,0,0,0,1|1,0,0]=3 4520 B9R1.15 Cc1nccnc1CS Amb32788623 [0,1,0,0,0,1|1,1,0]=4 4521 B9R1.15 Cc1ncncc1CO Amb23401791 [0,1,0,0,0,1|2,0,0]=4 4522 B9R1.15 Cc1nnccc1CO Amb30594092 [0,1,0,0,0,1|2,0,0]=4 4523 B9R1.15 ClCc1ccccc1Br Amb5395415 [0,1,0,0,0,1|2,0,0]=4 4524 B9R1.15 ClCc1ccccc1Cl Amb1691713 [0,1,0,0,0,1|2,0,0]=4 4525 B9R1.15 ClCc1cccnc1Br Amb22044048 [0,1,0,0,0,1|2,0,0]=4 4526 B9R1.15 ClCc1cccnc1Cl Amb13952360 [0,1,0,0,0,1|2,0,0]=4 4527 B9R1.15 ClCc1cccnc1Cl Amb13953079 [0,1,0,0,0,1|2,0,0]=4 4528 B9R1.15 ClCc1ccncc1Br Amb27424026 [0,1,0,0,0,1|2,0,0]=4 4529 B9R1.15 ClCc1ccncc1Br Amb30588572 [0,1,0,0,0,1|2,0,0]=4 4530 B9R1.15 ClCc1ccncc1Cl Amb19148857 [0,1,0,0,0,1|2,0,0]=4 4531 B9R1.15 ClCc1cnccc1Br Amb28189615 [0,1,0,0,0,1|2,0,0]=4 4532 B9R1.15 ClCc1cnccc1Cl Amb24091385 [0,1,0,0,0,1|2,0,0]=4 4533 B9R1.15 ClCc1ncccc1Br Amb21926821 [0,1,0,0,0,1|2,0,0]=4 4534 B9R1.15 ClCc1ncccc1Br Amb32674865 [0,1,0,0,0,1|2,0,0]=4 4535 B9R1.15 ClCc1ncccc1Cl Amb20671208 [0,1,0,0,0,1|2,0,0]=4 4536 B9R1.15 ClCc1ncccc1Cl Amb22494746 [0,1,0,0,0,1|2,0,0]=4 4537 B9R1.15 ClCc1nccnc1Cl Amb19957845 [0,1,0,0,0,1|2,0,0]=4 4538 B9R1.15 ClCc1ncncc1Br Amb25889486 [0,1,0,0,0,1|2,0,0]=4 4539 B9R1.15 ClCc1ncncc1Cl Amb28318461 [0,1,0,0,0,1|2,0,0]=4 4540 B9R1.15 Clc1ccccc1CBr Amb2685772 [0,1,0,0,0,1|2,0,0]=4 4541 B9R1.15 Clc1ccccc1CI Amb33546475 [0,1,0,0,0,1|2,0,0]=4 4542 B9R1.15 Clc1cccnc1CBr Amb22494738 [0,1,0,0,0,1|2,0,0]=4 4543 B9R1.15 Clc1cccnc1CBr Amb30867940 [0,1,0,0,0,1|2,0,0]=4 4544 B9R1.15 Clc1ccncc1CBr Amb27876045 [0,1,0,0,0,1|2,0,0]=4 4545 B9R1.15 Clc1cnccc1CBr Amb25032117 [0,1,0,0,0,1|2,0,0]=4 4546 B9R1.15 Clc1cnccc1CBr Amb33038304 [0,1,0,0,0,1|2,0,0]=4 4547 B9R1.15 Clc1cnccc1CI Amb27412071 [0,1,0,0,0,1|2,0,0]=4 4548 B9R1.15 Clc1cncnc1CBr Amb28245440 [0,1,0,0,0,1|2,0,0]=4 4549 B9R1.15 Clc1ncccc1CBr Amb22753739 [0,1,0,0,0,1|2,0,0]=4 4550 B9R1.15 Clc1ncccc1CBr Amb32662885 [0,1,0,0,0,1|2,0,0]=4 4551 B9R1.15 FCc1ccccc1Br Amb25762101 [0,1,0,0,0,1|2,0,0]=4 4552 B9R1.15 FCc1ncccc1Br Amb35744428 [0,1,0,0,0,1|2,0,0]=4 4553 B9R1.15 Fc1ccccc1CBr Amb2688042 [0,1,0,0,0,1|2,0,0]=4 4554 B9R1.15 Fc1ccccc1CCl Amb6364744 [0,1,0,0,0,1|2,0,0]=4 4555 B9R1.15 Fc1ccccc1CS Amb2691866 [0,1,0,0,0,1|1,1,0]=4 4556 B9R1.15 Fc1cccnc1CBr Amb21964584 [0,1,0,0,0,1|2,0,0]=4 4557 B9R1.15 Fc1cccnc1CBr Amb22491310 [0,1,0,0,0,1|2,0,0]=4 4558 B9R1.15 Fc1cccnc1CBr Amb32409347 [0,1,0,0,0,1|2,0,0]=4 4559 B9R1.15 Fc1cccnc1CCl Amb19515818 [0,1,0,0,0,1|2,0,0]=4 4560 B9R1.15 Fc1cccnc1CCl Amb21963959 [0,1,0,0,0,1|2,0,0]=4 4561 B9R1.15 Fc1cccnc1CS Amb33419586 [0,1,0,0,0,1|1,1,0]=4 4562 B9R1.15 Fc1ccncc1CBr Amb27645182 [0,1,0,0,0,1|2,0,0]=4 4563 B9R1.15 Fc1ccncc1CCl Amb32682509 [0,1,0,0,0,1|2,0,0]=4 4564 B9R1.15 Fc1cnccc1CBr Amb22011572 [0,1,0,0,0,1|2,0,0]=4 4565 B9R1.15 Fc1cnccc1CCl Amb22886714 [0,1,0,0,0,1|2,0,0]=4 4566 B9R1.15 Fc1cnccc1CCl Amb25147215 [0,1,0,0,0,1|2,0,0]=4 4567 B9R1.15 Fc1cnccc1CS Amb33317412 [0,1,0,0,0,1|1,1,0]=4 4568 B9R1.15 Fc1cncnc1CBr Amb27816448 [0,1,0,0,0,1|2,0,0]=4 4569 B9R1.15 Fc1cncnc1CCl Amb26904758 [0,1,0,0,0,1|2,0,0]=4 4570 B9R1.15 Fc1ncccc1CBr Amb22490568 [0,1,0,0,0,1|2,0,0]=4 4571 B9R1.15 Fc1ncccc1CCl Amb22490569 [0,1,0,0,0,1|2,0,0]=4 4572 B9R1.15 Fc1ncccc1CS Amb33376785 [0,1,0,0,0,1|1,1,0]=4 4573 B9R1.15 NCC1=CC=CNC1=O Amb18043158 [0,1,0,0,0,1|2,0,0]=4 4574 B9R1.15 NCC1=CC=CNC1=O Amb22054312 [0,1,0,0,0,1|2,0,0]=4 4575 B9R1.15 NCc1cccc[n+]1[O-] Amb27196290 [0,1,0,0,0,1|2,0,0]=4 4576 B9R1.15 NCc1ccccc1Br Amb4037050 [0,1,0,0,0,1|2,0,0]=4 4577 B9R1.15 NCc1ccccc1Br Amb6365738 [0,1,0,0,0,1|2,0,0]=4 4578 B9R1.15 NCc1ccccc1Cl Amb19958655 [0,1,0,0,0,1|2,0,0]=4 4579 B9R1.15 NCc1ccccc1Cl Amb932820 [0,1,0,0,0,1|2,0,0]=4 4580 B9R1.15 NCc1ccccc1F Amb2780405 [0,1,0,0,0,1|2,0,0]=4 4581 B9R1.15 NCc1ccccc1F Amb535712 [0,1,0,0,0,1|2,0,0]=4 4582 B9R1.15 NCc1ccccc1I Amb8397048 [0,1,0,0,0,1|2,0,0]=4 4583 B9R1.15 NCc1ccccc1N Amb3941688 [0,1,0,0,0,1|2,0,0]=4 4584 B9R1.15 NCc1ccccc1N Amb8631266 [0,1,0,0,0,1|2,0,0]=4 4585 B9R1.15 NCc1ccccc1O Amb1111172 [0,1,0,0,0,1|2,0,0]=4 4586 B9R1.15 NCc1ccccc1O Amb13951900 [0,1,0,0,0,1|2,0,0]=4 4587 B9R1.15 NCc1ccccc1O Amb30594500 [0,1,0,0,0,1|2,0,0]=4 4588 B9R1.15 NCc1ccccc1S Amb27487957 [0,1,0,0,0,1|2,0,0]=4 4589 B9R1.15 NCc1cccnc1Br Amb20247921 [0,1,0,0,0,1|2,0,0]=4 4590 B9R1.15 NCc1cccnc1Cl Amb19929364 [0,1,0,0,0,1|2,0,0]=4 4591 B9R1.15 NCc1cccnc1Cl Amb22498734 [0,1,0,0,0,1|2,0,0]=4 4592 B9R1.15 NCc1cccnc1Cl Amb8631118 [0,1,0,0,0,1|2,0,0]=4 4593 B9R1.15 NCc1cccnc1F Amb10603597 [0,1,0,0,0,1|2,0,0]=4 4594 B9R1.15 NCc1cccnc1F Amb21857815 [0,1,0,0,0,1|2,0,0]=4 4595 B9R1.15 NCc1cccnc1I Amb25889424 [0,1,0,0,0,1|2,0,0]=4 4596 B9R1.15 NCc1cccnc1N Amb15701368 [0,1,0,0,0,1|2,0,0]=4 4597 B9R1.15 NCc1cccnc1O Amb32409635 [0,1,0,0,0,1|2,0,0]=4 4598 B9R1.15 NCc1cccnc1O Amb33611602 [0,1,0,0,0,1|2,0,0]=4 4599 B9R1.15 NCc1cccnc1O Amb8855139 [0,1,0,0,0,1|2,0,0]=4 4600 B9R1.15 NCc1ccncc1Br Amb18252030 [0,1,0,0,0,1|2,0,0]=4 4601 B9R1.15 NCc1ccncc1Br Amb30585169 [0,1,0,0,0,1|2,0,0]=4 4602 B9R1.15 NCc1ccncc1Cl Amb18831608 [0,1,0,0,0,1|2,0,0]=4 4603 B9R1.15 NCc1ccncc1Cl Amb21927836 [0,1,0,0,0,1|2,0,0]=4 4604 B9R1.15 NCc1ccncc1F Amb13890638 [0,1,0,0,0,1|2,0,0]=4 4605 B9R1.15 NCc1ccncc1F Amb16186030 [0,1,0,0,0,1|2,0,0]=4 4606 B9R1.15 NCc1ccncc1I Amb24554252 [0,1,0,0,0,1|2,0,0]=4 4607 B9R1.15 NCc1ccncc1N Amb16230501 [0,1,0,0,0,1|2,0,0]=4 4608 B9R1.15 NCc1ccncc1N Amb22755075 [0,1,0,0,0,1|2,0,0]=4 4609 B9R1.15 NCc1ccncc1O Amb20247896 [0,1,0,0,0,1|2,0,0]=4 4610 B9R1.15 NCc1cnccc1Br Amb22292211 [0,1,0,0,0,1|2,0,0]=4 4611 B9R1.15 NCc1cnccc1Cl Amb18831607 [0,1,0,0,0,1|2,0,0]=4 4612 B9R1.15 NCc1cnccc1Cl Amb22886403 [0,1,0,0,0,1|2,0,0]=4 4613 B9R1.15 NCc1cnccc1Cl Amb33715871 [0,1,0,0,0,1|2,0,0]=4 4614 B9R1.15 NCc1cnccc1N Amb33552971 [0,1,0,0,0,1|2,0,0]=4 4615 B9R1.15 NCc1cnccc1O Amb18908274 [0,1,0,0,0,1|2,0,0]=4 4616 B9R1.15 NCc1ncccc1Br Amb22501100 [0,1,0,0,0,1|2,0,0]=4 4617 B9R1.15 NCc1ncccc1Br Amb22756452 [0,1,0,0,0,1|2,0,0]=4 4618 B9R1.15 NCc1ncccc1Br Amb32667089 [0,1,0,0,0,1|2,0,0]=4 4619 B9R1.15 NCc1ncccc1Cl Amb19929608 [0,1,0,0,0,1|2,0,0]=4 4620 B9R1.15 NCc1ncccc1Cl Amb21857817 [0,1,0,0,0,1|2,0,0]=4 4621 B9R1.15 NCc1ncccc1F Amb21962659 [0,1,0,0,0,1|2,0,0]=4 4622 B9R1.15 NCc1ncccc1F Amb22754755 [0,1,0,0,0,1|2,0,0]=4 4623 B9R1.15 NCc1ncccc1F Amb8629674 [0,1,0,0,0,1|2,0,0]=4 4624 B9R1.15 NCc1ncccc1N Amb18908273 [0,1,0,0,0,1|2,0,0]=4 4625 B9R1.15 NCc1ncccc1N Amb23401213 [0,1,0,0,0,1|2,0,0]=4 4626 B9R1.15 NCc1ncccc1O Amb22501146 [0,1,0,0,0,1|2,0,0]=4 4627 B9R1.15 NCc1ncccc1O Amb2697349 [0,1,0,0,0,1|2,0,0]=4 4628 B9R1.15 NCc1ncccc1O Amb33482924 [0,1,0,0,0,1|2,0,0]=4 4629 B9R1.15 NCc1ncccc1S Amb24427279 [0,1,0,0,0,1|2,0,0]=4 4630 B9R1.15 NCc1nccnc1Cl Amb16234022 [0,1,0,0,0,1|2,0,0]=4 4631 B9R1.15 NCc1nccnc1Cl Amb2695407 [0,1,0,0,0,1|2,0,0]=4 4632 B9R1.15 NCc1nccnc1Cl Amb33542625 [0,1,0,0,0,1|2,0,0]=4 4633 B9R1.15 NCc1nccnc1N Amb18947969 [0,1,0,0,0,1|2,0,0]=4 4634 B9R1.15 NCc1nccnc1O Amb18279588 [0,1,0,0,0,1|2,0,0]=4 4635 B9R1.15 NCc1nccnc1O Amb32665366 [0,1,0,0,0,1|2,0,0]=4 4636 B9R1.15 NCc1ncncc1Br Amb18523223 [0,1,0,0,0,1|2,0,0]=4 4637 B9R1.15 NCc1ncncc1O Amb27256926 [0,1,0,0,0,1|2,0,0]=4 4638 B9R1.15 N[n+]1ccccc1CO Amb27839504 [0,1,0,0,0,1|1,0,0]=3 4639 B9R1.15 Nc1ccccc1CCl Amb6740281 [0,1,0,0,0,1|2,0,0]=4 4640 B9R1.15 Nc1ccccc1CF Amb19515970 [0,1,0,0,0,1|2,0,0]=4 4641 B9R1.15 Nc1ccccc1CO Amb1808337 [0,1,0,0,0,1|1,0,0]=3 4642 B9R1.15 Nc1ccccc1CS Amb27787743 [0,1,0,0,0,1|1,1,0]=4 4643 B9R1.15 Nc1cccnc1CBr Amb26425861 [0,1,0,0,0,1|2,0,0]=4 4644 B9R1.15 Nc1cccnc1CO Amb2697304 [0,1,0,0,0,1|1,0,0]=3 4645 B9R1.15 Nc1ccncc1CO Amb2697298 [0,1,0,0,0,1|1,0,0]=3 4646 B9R1.15 Nc1cnccc1CBr Amb22750984 [0,1,0,0,0,1|2,0,0]=4 4647 B9R1.15 Nc1cnccc1CCl Amb8386499 [0,1,0,0,0,1|2,0,0]=4 4648 B9R1.15 Nc1cnccc1CO Amb2697302 [0,1,0,0,0,1|1,0,0]=3 4649 B9R1.15 Nc1cncnc1CO Amb22755330 [0,1,0,0,0,1|1,0,0]=3 4650 B9R1.15 Nc1ncccc1CBr Amb20247764 [0,1,0,0,0,1|2,0,0]=4 4651 B9R1.15 Nc1ncccc1CBr Amb33314333 [0,1,0,0,0,1|2,0,0]=4 4652 B9R1.15 Nc1ncccc1CCl Amb6307341 [0,1,0,0,0,1|2,0,0]=4 4653 B9R1.15 Nc1ncccc1CO Amb2608577 [0,1,0,0,0,1|1,0,0]=3 4654 B9R1.15 Nc1nccnc1CO Amb20622522 [0,1,0,0,0,1|1,0,0]=3 4655 B9R1.15 Nc1ncncc1CO Amb20668186 [0,1,0,0,0,1|2,0,0]=4 4656 B9R1.15 O=C1C=CNC=C1CBr Amb27970389 [0,1,0,0,0,1|2,0,0]=4 4657 B9R1.15 O=C1C=CNN=C1CO Amb28351522 [0,1,0,0,0,1|1,0,0]=3 4658 B9R1.15 O=C1CC=COC1CO Amb28202375 [0,1,0,0,0,1|0,0,1]=3 4659 B9R1.15 O=C1NC=CC=C1CBr Amb18925116 [0,1,0,0,0,1|2,0,0]=4 4660 B9R1.15 O=C1NC=CC=C1CO Amb18922455 [0,1,0,0,0,1|1,0,0]=3 4661 B9R1.15 O=C1NC=NC=C1CO Amb27228831 [0,1,0,0,0,1|2,0,0]=4 4662 B9R1.15 OCC1=CC=CNC1=S Amb25210908 [0,1,0,0,0,1|1,0,0]=3 4663 B9R1.15 OC[C@@H]1OCC=C[C@H]1O Amb27632773 [0,1,0,0,0,1|0,0,2]=4 4664 B9R1.15 OC[C@H]1OCC=C[C@@H]1O Amb28318872 [0,1,0,0,0,1|0,0,2]=4 4665 B9R1.15 OCc1ccccc1Br Amb3939081 [0,1,0,0,0,1|1,0,0]=3 4666 B9R1.15 OCc1ccccc1Cl Amb837338 [0,1,0,0,0,1|1,0,0]=3 4667 B9R1.15 OCc1ccccc1F Amb837270 [0,1,0,0,0,1|1,0,0]=3 4668 B9R1.15 OCc1ccccc1I Amb6373404 [0,1,0,0,0,1|1,0,0]=3 4669 B9R1.15 OCc1ccccc1O Amb3940117 [0,1,0,0,0,1|1,0,0]=3 4670 B9R1.15 OCc1ccccc1S Amb2689068 [0,1,0,0,0,1|1,0,0]=3 4671 B9R1.15 OCc1cccnc1Br Amb4561110 [0,1,0,0,0,1|1,0,0]=3 4672 B9R1.15 OCc1cccnc1Cl Amb2722986 [0,1,0,0,0,1|1,0,0]=3 4673 B9R1.15 OCc1cccnc1F Amb10603593 [0,1,0,0,0,1|1,0,0]=3 4674 B9R1.15 OCc1cccnc1O Amb20247914 [0,1,0,0,0,1|1,0,0]=3 4675 B9R1.15 OCc1ccncc1Br Amb19958216 [0,1,0,0,0,1|1,0,0]=3 4676 B9R1.15 OCc1ccncc1Cl Amb8630898 [0,1,0,0,0,1|1,0,0]=3 4677 B9R1.15 OCc1ccncc1F Amb13887027 [0,1,0,0,0,1|1,0,0]=3 4678 B9R1.15 OCc1ccncc1I Amb23447040 [0,1,0,0,0,1|1,0,0]=3 4679 B9R1.15 OCc1ccncc1O Amb8439447 [0,1,0,0,0,1|1,0,0]=3 4680 B9R1.15 OCc1cnccc1Br Amb19958695 [0,1,0,0,0,1|1,0,0]=3 4681 B9R1.15 OCc1cnccc1Br Amb20671165 [0,1,0,0,0,1|1,0,0]=3 4682 B9R1.15 OCc1cnccc1Br Amb31205724 [0,1,0,0,0,1|1,0,0]=3 4683 B9R1.15 OCc1cnccc1Cl Amb10068416 [0,1,0,0,0,1|1,0,0]=3 4684 B9R1.15 OCc1cnccc1Cl Amb22233797 [0,1,0,0,0,1|1,0,0]=3 4685 B9R1.15 OCc1cnccc1F Amb25147035 [0,1,0,0,0,1|1,0,0]=3 4686 B9R1.15 OCc1cnccc1F Amb30633187 [0,1,0,0,0,1|1,0,0]=3 4687 B9R1.15 OCc1cnccc1I Amb27603031 [0,1,0,0,0,1|1,0,0]=3 4688 B9R1.15 OCc1cncnc1Br Amb26566315 [0,1,0,0,0,1|2,0,0]=4 4689 B9R1.15 OCc1cncnc1Cl Amb22236141 [0,1,0,0,0,1|2,0,0]=4 4690 B9R1.15 OCc1ncccc1Br Amb13882830 [0,1,0,0,0,1|1,0,0]=3 4691 B9R1.15 OCc1ncccc1Cl Amb15695291 [0,1,0,0,0,1|1,0,0]=3 4692 B9R1.15 OCc1ncccc1F Amb2723486 [0,1,0,0,0,1|1,0,0]=3 4693 B9R1.15 OCc1ncccc1I Amb23447033 [0,1,0,0,0,1|1,0,0]=3 4694 B9R1.15 OCc1ncccc1O Amb2611945 [0,1,0,0,0,1|1,0,0]=3 4695 B9R1.15 OCc1ncccc1O Amb8384342 [0,1,0,0,0,1|1,0,0]=3 4696 B9R1.15 OCc1nccnc1Cl Amb16233469 [0,1,0,0,0,1|1,0,0]=3 4697 B9R1.15 OCc1ncncc1Br Amb22497742 [0,1,0,0,0,1|1,0,0]=3 4698 B9R1.15 OCc1ncncc1F Amb27965561 [0,1,0,0,0,1|1,0,0]=3 4699 B9R1.15 ONc1ccccc1Cl Amb24093632 [0,1,0,0,0,1|2,0,0]=4 4700 B9R1.15 ONc1ccccc1I Amb22230990 [0,1,0,0,0,1|2,0,0]=4 4701 B9R1.15 ONc1cccnc1Cl Amb27185887 [0,1,0,0,0,1|2,0,0]=4 4702 B9R1.15 ONc1ccncc1F Amb30020351 [0,1,0,0,0,1|2,0,0]=4 4703 B9R1.15 ONc1ncccc1F Amb27844903 [0,1,0,0,0,1|2,0,0]=4 4704 B9R1.15 ONc1ncncc1Cl Amb27835282 [0,1,0,0,0,1|2,0,0]=4 4705 B9R1.15 ONc1ncncc1I Amb27397452 [0,1,0,0,0,1|2,0,0]=4 4706 B9R1.15 Oc1ccccc1CBr Amb18129657 [0,1,0,0,0,1|2,0,0]=4 4707 B9R1.15 Oc1ccccc1CCl Amb17477840 [0,1,0,0,0,1|2,0,0]=4 4708 B9R1.15 Oc1ccccc1CS Amb25188976 [0,1,0,0,0,1|1,1,0]=4 4709 B9R1.15 Oc1cccnc1CBr Amb8504199 [0,1,0,0,0,1|2,0,0]=4 4710 B9R1.15 Oc1cccnc1CCl Amb24062575 [0,1,0,0,0,1|2,0,0]=4 4711 B9R1.15 Oc1cccnc1CCl Amb34916680 [0,1,0,0,0,1|2,0,0]=4 4712 B9R1.15 Oc1cnccc1CBr Amb25697071 [0,1,0,0,0,1|2,0,0]=4 4713 B9R1.15 SCc1ccccc1Br Amb2691875 [0,1,0,0,0,1|1,1,0]=4 4714 B9R1.15 SCc1ccccc1Cl Amb6255353 [0,1,0,0,0,1|1,1,0]=4 4715 B9R1.15 SCc1cccnc1Br Amb33387702 [0,1,0,0,0,1|1,1,0]=4 4716 B9R1.15 SCc1cccnc1Cl Amb22396091 [0,1,0,0,0,1|1,1,0]=4 4717 B9R1.15 SCc1ccncc1Br Amb32788848 [0,1,0,0,0,1|1,1,0]=4 4718 B9R1.15 SCc1ccncc1Cl Amb24465690 [0,1,0,0,0,1|1,1,0]=4 4719 B9R1.15 SCc1ncccc1Br Amb24528797 [0,1,0,0,0,1|1,1,0]=4 4720 B9R1.15 Sc1ccccc1CBr Amb27482544 [0,1,0,0,0,1|2,0,0]=4 4721 B9R1.15 Sc1cnccc1CCl Amb27406865 [0,1,0,0,0,1|2,0,0]=4 4722 B9R1.15 [O-][n+]1ccccc1CCl Amb26390864 [0,1,0,0,0,1|2,0,0]=4 4723 B9R1.15 [O-][n+]1ccccc1CO Amb17615558 [0,1,0,0,0,1|1,0,0]=3 4724 B9R1.15 [O-][n+]1cccnc1CCl Amb13951662 [0,1,0,0,0,1|2,0,0]=4 4725 B9R1.118 CC1(CO)C=CCC=C1 Amb27613393 [0,1,0,0,0,1|1,0,1]=4 4726 B9R1.118 CC1(CO)C=CCCO1 Amb28281863 [0,1,0,0,0,1|0,0,2]=4 4727 B9R1.118 C[C@@]1(CO)C=CCCO1 Amb28315426 [0,1,0,0,0,1|0,0,2]=4 4728 B9R1.7 BrCCc1cc(Br)co1 Amb33431580 [0,2,0,0,0,0|1,0,0]=3 4729 B9R1.7 BrCCc1cc(Br)cs1 Amb18231829 [0,2,0,0,0,0|1,1,0]=4 4730 B9R1.7 BrCCc1cc(Br)no1 Amb27238275 [0,2,0,0,0,0|2,0,0]=4 4731 B9R1.7 BrCCc1ccc(Br)o1 Amb26411052 [0,2,0,0,0,0|1,0,0]=3 4732 B9R1.7 BrCCc1ccc(Br)s1 Amb18232370 [0,2,0,0,0,0|1,1,0]=4 4733 B9R1.7 Br\C=C\c1ccc(Br)o1 Amb27642770 [0,2,0,0,0,0|1,0,1]=4 4734 B9R1.7 C#CCc1cc(Br)co1 Amb33431276 [0,2,0,0,0,0|1,0,0]=3 4735 B9R1.7 C#CCc1cc(Br)cs1 Amb33388335 [0,2,0,0,0,0|1,1,0]=4 4736 B9R1.7 C#CCc1cc(C)cs1 Amb33427153 [0,2,0,0,0,0|1,1,0]=4 4737 B9R1.7 C#CCc1cc(C)no1 Amb33326737 [0,2,0,0,0,0|2,0,0]=4 4738 B9R1.7 C#CCc1cc(Cl)cs1 Amb33058200 [0,2,0,0,0,0|1,1,0]=4 4739 B9R1.7 C#CCc1ccc(Br)o1 Amb33452106 [0,2,0,0,0,0|1,0,0]=3 4740 B9R1.7 C#CCc1ccc(Br)s1 Amb28196128 [0,2,0,0,0,0|1,1,0]=4 4741 B9R1.7 C#CCc1ccc(C)o1 Amb33317918 [0,2,0,0,0,0|1,0,0]=3 4742 B9R1.7 C#CCc1ccc(C)s1 Amb25218039 [0,2,0,0,0,0|1,1,0]=4 4743 B9R1.7 C#CCc1ccc(Cl)o1 Amb33258631 [0,2,0,0,0,0|1,0,0]=3 4744 B9R1.7 C#CCc1ccc(O)s1 Amb27458930 [0,2,0,0,0,0|1,1,0]=4 4745 B9R1.7 C=CCC1C=CC(=O)O1 Amb27453658 [0,2,0,0,0,0|1,0,1]=4 4746 B9R1.7 C=CCc1cc(C)co1 Amb27634170 [0,2,0,0,0,0|1,0,0]=3 4747 B9R1.7 C=CCc1ccc(C)s1 Amb27461401 [0,2,0,0,0,0|1,1,0]=4 4748 B9R1.7 CCCC1=CC(=O)CO1 Amb27797456 [0,2,0,0,0,0|1,0,1]=4 4749 B9R1.7 CCCC1C=CC(=O)O1 Amb25793308 [0,2,0,0,0,0|1,0,1]=4 4750 B9R1.7 CCCc1cc(C)co1 Amb28368534 [0,2,0,0,0,0|1,0,0]=3 4751 B9R1.7 CCCc1cc(F)cs1 Amb27962434 [0,2,0,0,0,0|1,1,0]=4 4752 B9R1.7 CCCc1cc(N)no1 Amb18642428 [0,2,0,0,0,0|2,0,0]=4 4753 B9R1.7 CCCc1ccc(Br)o1 Amb24318772 [0,2,0,0,0,0|1,0,0]=3 4754 B9R1.7 CCCc1ccc(Br)s1 Amb20617246 [0,2,0,0,0,0|1,1,0]=4 4755 B9R1.7 CCCc1ccc(C)o1 Amb22339463 [0,2,0,0,0,0|1,0,0]=3 4756 B9R1.7 CCCc1ccc(C)s1 Amb28198684 [0,2,0,0,0,0|1,1,0]=4 4757 B9R1.7 CCCc1ccc(Cl)s1 Amb27816673 [0,2,0,0,0,0|1,1,0]=4 4758 B9R1.7 CCCc1ccc(F)s1 Amb28248535 [0,2,0,0,0,0|1,1,0]=4 4759 B9R1.7 CCCc1ccc(N)s1 Amb20617247 [0,2,0,0,0,0|1,1,0]=4 4760 B9R1.7 CCCc1ccc(O)s1 Amb33267047 [0,2,0,0,0,0|1,1,0]=4 4761 B9R1.7 CCCc1ccc(S)s1 Amb27847156 [0,2,0,0,0,0|1,1,0]=4 4762 B9R1.7 CCCc1cnc(Cl)o1 Amb33039838 [0,2,0,0,0,0|2,0,0]=4 4763 B9R1.7 CCCc1cnc(N)o1 Amb26413267 [0,2,0,0,0,0|2,0,0]=4 4764 B9R1.7 CCCc1ncc(Br)o1 Amb27951410 [0,2,0,0,0,0|2,0,0]=4 4765 B9R1.7 CCNc1cc(Br)cs1 Amb28044980 [0,2,0,0,0,0|1,1,0]=4 4766 B9R1.7 CCNc1cc(C)no1 Amb9782139 [0,2,0,0,0,0|2,0,0]=4 4767 B9R1.7 CCNc1ccc(C)o1 Amb28139626 [0,2,0,0,0,0|1,0,0]=3 4768 B9R1.7 CCNc1ccc(C)s1 Amb27670272 [0,2,0,0,0,0|1,1,0]=4 4769 B9R1.7 CCNc1ccc(Cl)s1 Amb18055067 [0,2,0,0,0,0|1,1,0]=4 4770 B9R1.7 CCOC1=CCC(=O)O1 Amb22001902 [0,2,0,0,0,0|1,0,1]=4 4771 B9R1.7 CCOc1cc(C)co1 Amb27796470 [0,2,0,0,0,0|1,0,0]=3 4772 B9R1.7 CCOc1cc(N)no1 Amb17935873 [0,2,0,0,0,0|2,0,0]=4 4773 B9R1.7 CCSc1cc(Br)co1 Amb25351967 [0,2,0,0,0,0|1,0,0]=3 4774 B9R1.7 CCSc1ccc(C)s1 Amb27593864 [0,2,0,0,0,0|1,1,0]=4 4775 B9R1.7 CCSc1ccc(Cl)s1 Amb25836878 [0,2,0,0,0,0|1,1,0]=4 4776 B9R1.7 CCSc1ccc(N)s1 Amb17109263 [0,2,0,0,0,0|1,1,0]=4 4777 B9R1.7 CC\C=C1/C=CC(=O)O1 Amb27185841 [0,2,0,0,0,0|1,0,0]=3 4778 B9R1.7 CC\N=C1\C=CC(=O)O1 Amb27760317 [0,2,0,0,0,0|1,0,0]=3 4779 B9R1.7 CNCc1cc(Br)cs1 Amb7173582 [0,2,0,0,0,0|1,1,0]=4 4780 B9R1.7 CNCc1cc(Br)no1 Amb27949683 [0,2,0,0,0,0|2,0,0]=4 4781 B9R1.7 CNCc1cc(C)cs1 Amb2723481 [0,2,0,0,0,0|1,1,0]=4 4782 B9R1.7 CNCc1cc(C)no1 Amb3941292 [0,2,0,0,0,0|2,0,0]=4 4783 B9R1.7 CNCc1cc(C)no1 Amb8503465 [0,2,0,0,0,0|2,0,0]=4 4784 B9R1.7 CNCc1cc(Cl)co1 Amb23537708 [0,2,0,0,0,0|1,0,0]=3 4785 B9R1.7 CNCc1ccc(Br)o1 Amb1131647 [0,2,0,0,0,0|1,0,0]=3 4786 B9R1.7 CNCc1ccc(Br)s1 Amb2311980 [0,2,0,0,0,0|1,1,0]=4 4787 B9R1.7 CNCc1ccc(C)o1 Amb1105046 [0,2,0,0,0,0|1,0,0]=3 4788 B9R1.7 CNCc1ccc(C)o1 Amb28991328 [0,2,0,0,0,0|1,0,0]=3 4789 B9R1.7 CNCc1ccc(C)s1 Amb6572352 [0,2,0,0,0,0|1,1,0]=4 4790 B9R1.7 CNCc1ccc(C)s1 Amb838133 [0,2,0,0,0,0|1,1,0]=4 4791 B9R1.7 CNCc1ccc(Cl)o1 Amb18523734 [0,2,0,0,0,0|1,0,0]=3 4792 B9R1.7 CNCc1ccc(Cl)s1 Amb32410669 [0,2,0,0,0,0|1,1,0]=4 4793 B9R1.7 CNCc1ccc(Cl)s1 Amb422728 [0,2,0,0,0,0|1,1,0]=4 4794 B9R1.7 CNCc1ccc(F)o1 Amb28052847 [0,2,0,0,0,0|1,0,0]=3 4795 B9R1.7 CNCc1ccc(F)s1 Amb24269266 [0,2,0,0,0,0|1,1,0]=4 4796 B9R1.7 CNCc1ccc(F)s1 Amb25247421 [0,2,0,0,0,0|1,1,0]=4 4797 B9R1.7 CNCc1ccc(I)o1 Amb9620954 [0,2,0,0,0,0|1,0,0]=3 4798 B9R1.7 CNCc1ccc(N)o1 Amb18101397 [0,2,0,0,0,0|1,0,0]=3 4799 B9R1.7 CNCc1cnc(C)o1 Amb10071349 [0,2,0,0,0,0|2,0,0]=4 4800 B9R1.7 CNCc1nc(C)co1 Amb18832730 [0,2,0,0,0,0|2,0,0]=4 4801 B9R1.7 CNCc1ncc(C)o1 Amb18860649 [0,2,0,0,0,0|2,0,0]=4 4802 B9R1.7 COCC1=CC(=O)CC1 Amb27754476 [0,2,0,0,0,0|1,0,1]=4 4803 B9R1.7 COCC1=NNC(=O)O1 Amb20668827 [0,2,0,0,0,0|2,0,0]=4 4804 B9R1.7 COCC1C=CC(=O)O1 Amb28370301 [0,2,0,0,0,0|0,0,1]=3 4805 B9R1.7 COCC1C=NC(=O)O1 Amb27962493 [0,2,0,0,0,0|1,0,1]=4 4806 B9R1.7 COCc1cc(Br)cs1 Amb27218744 [0,2,0,0,0,0|0,1,0]=3 4807 B9R1.7 COCc1cc(Br)no1 Amb27806912 [0,2,0,0,0,0|1,0,0]=3 4808 B9R1.7 COCc1cc(C)co1 Amb27441916 [0,2,0,0,0,0|0,0,0]=2 4809 B9R1.7 COCc1cc(Cl)ns1 Amb27419843 [0,2,0,0,0,0|1,1,0]=4 4810 B9R1.7 COCc1cc(Cl)sn1 Amb27259858 [0,2,0,0,0,0|2,0,0]=4 4811 B9R1.7 COCc1cc(I)cs1 Amb32685578 [0,2,0,0,0,0|0,1,0]=3 4812 B9R1.7 COCc1cc(N)no1 Amb18642587 [0,2,0,0,0,0|1,0,0]=3 4813 B9R1.7 COCc1cc(N)no1 Amb28991389 [0,2,0,0,0,0|1,0,0]=3 4814 B9R1.7 COCc1cc(N)on1 Amb23504005 [0,2,0,0,0,0|2,0,0]=4 4815 B9R1.7 COCc1cc(N)sn1 Amb26566253 [0,2,0,0,0,0|2,0,0]=4 4816 B9R1.7 COCc1cc(O)cs1 Amb35652333 [0,2,0,0,0,0|0,1,0]=3 4817 B9R1.7 COCc1ccc(Br)o1 Amb25837821 [0,2,0,0,0,0|0,0,0]=2 4818 B9R1.7 COCc1ccc(Br)s1 Amb25116824 [0,2,0,0,0,0|0,1,0]=3 4819 B9R1.7 COCc1ccc(O)o1 Amb33146638 [0,2,0,0,0,0|0,0,0]=2 4820 B9R1.7 COCc1ccn(C)n1 Amb24269384 [0,2,0,0,0,0|2,0,0]=4 4821 B9R1.7 COCc1cnc(N)o1 Amb33429402 [0,2,0,0,0,0|1,0,0]=3 4822 B9R1.7 COCc1cnc(N)s1 Amb25189073 [0,2,0,0,0,0|1,1,0]=4 4823 B9R1.7 COCc1coc(Br)n1 Amb28145090 [0,2,0,0,0,0|2,0,0]=4 4824 B9R1.7 COCc1csc(Br)n1 Amb25889547 [0,2,0,0,0,0|2,0,0]=4 4825 B9R1.7 COCc1csc(C)n1 Amb2422078 [0,2,0,0,0,0|2,0,0]=4 4826 B9R1.7 COCc1csc(N)n1 Amb8830595 [0,2,0,0,0,0|2,0,0]=4 4827 B9R1.7 COCc1csc(S)n1 Amb27656746 [0,2,0,0,0,0|2,0,0]=4 4828 B9R1.7 COCc1nc(Br)cs1 Amb27624877 [0,2,0,0,0,0|1,1,0]=4 4829 B9R1.7 COCc1nc(C)cs1 Amb27810227 [0,2,0,0,0,0|1,1,0]=4 4830 B9R1.7 COCc1nc(Cl)no1 Amb27980803 [0,2,0,0,0,0|2,0,0]=4 4831 B9R1.7 COCc1nc(I)no1 Amb28207542 [0,2,0,0,0,0|2,0,0]=4 4832 B9R1.7 COCc1nc(N)cs1 Amb27837019 [0,2,0,0,0,0|1,1,0]=4 4833 B9R1.7 COCc1nc(N)no1 Amb15701418 [0,2,0,0,0,0|2,0,0]=4 4834 B9R1.7 COCc1nc(O)cs1 Amb27755672 [0,2,0,0,0,0|1,1,0]=4 4835 B9R1.7 COCc1ncc(C)s1 Amb27802305 [0,2,0,0,0,0|1,1,0]=4 4836 B9R1.7 COCc1nnc(N)o1 Amb6250283 [0,2,0,0,0,0|2,0,0]=4 4837 B9R1.7 COCc1nnc(S)o1 Amb28346483 [0,2,0,0,0,0|2,0,0]=4 4838 B9R1.7 COCn1cc(Br)cn1 Amb23401118 [0,2,0,0,0,0|2,0,0]=4 4839 B9R1.7 COCn1cc(C)cn1 Amb24615530 [0,2,0,0,0,0|2,0,0]=4 4840 B9R1.7 COCn1cc(Cl)cn1 Amb28365019 [0,2,0,0,0,0|2,0,0]=4 4841 B9R1.7 COCn1cc(I)cn1 Amb23401115 [0,2,0,0,0,0|2,0,0]=4 4842 B9R1.7 COCn1cc(N)cn1 Amb1946508 [0,2,0,0,0,0|2,0,0]=4 4843 B9R1.7 COCn1ccc(N)n1 Amb26996075 [0,2,0,0,0,0|2,0,0]=4 4844 B9R1.7 CO\N=C1/C=CC(=O)N1 Amb27635300 [0,2,0,0,0,0|2,0,0]=4 4845 B9R1.7 CSCc1cc(Br)no1 Amb28252008 [0,2,0,0,0,0|1,1,0]=4 4846 B9R1.7 CSCc1cc(N)no1 Amb33269495 [0,2,0,0,0,0|1,1,0]=4 4847 B9R1.7 CSCc1ccc(Br)o1 Amb27768306 [0,2,0,0,0,0|0,1,0]=3 4848 B9R1.7 CSCc1ccc(C)o1 Amb24696980 [0,2,0,0,0,0|0,1,0]=3 4849 B9R1.7 CSCc1ccc(Cl)s1 Amb28369958 [0,2,0,0,0,0|0,2,0]=4 4850 B9R1.7 CSCc1cnc(N)o1 Amb33225064 [0,2,0,0,0,0|1,1,0]=4 4851 B9R1.7 C\C=C\c1cc(C)co1 Amb27209260 [0,2,0,0,0,0|1,0,1]=4 4852 B9R1.7 C\C=C\c1ccc(C)o1 Amb27482400 [0,2,0,0,0,0|1,0,1]=4 4853 B9R1.7 C\N=C/c1ccc(C)o1 Amb27965230 [0,2,0,0,0,0|1,0,1]=4 4854 B9R1.7 C\N=C\c1ccc(C)o1 Amb28140651 [0,2,0,0,0,0|1,0,1]=4 4855 B9R1.7 Cc1cc(CC#N)on1 Amb15701569 [0,2,0,0,0,0|2,0,0]=4 4856 B9R1.7 Cc1cc(CC=O)on1 Amb33326733 [0,2,0,0,0,0|1,0,1]=4 4857 B9R1.7 Cc1cc(CCBr)on1 Amb26567175 [0,2,0,0,0,0|2,0,0]=4 4858 B9R1.7 Cc1cc(CCCl)on1 Amb24376595 [0,2,0,0,0,0|2,0,0]=4 4859 B9R1.7 Cc1cc(CCN)on1 Amb28934992 [0,2,0,0,0,0|2,0,0]=4 4860 B9R1.7 Cc1cc(CCN)on1 Amb9175049 [0,2,0,0,0,0|2,0,0]=4 4861 B9R1.7 Cc1cc(CCO)co1 Amb25058458 [0,2,0,0,0,0|2,0,0]=4 4862 B9R1.7 Cc1cc(CCO)cs1 Amb24672867 [0,2,0,0,0,0|2,0,0]=4 4863 B9R1.7 Cc1cc(CCO)no1 Amb28346645 [0,2,0,0,0,0|2,0,0]=4 4864 B9R1.7 Cc1cc(CCO)on1 Amb21936274 [0,2,0,0,0,0|1,0,0]=3 4865 B9R1.7 Cc1cc(CCO)sn1 Amb27619076 [0,2,0,0,0,0|1,1,0]=4 4866 B9R1.7 Cc1cc(CCS)on1 Amb33422696 [0,2,0,0,0,0|1,1,0]=4 4867 B9R1.7 Cc1cc(CNN)on1 Amb27851219 [0,2,0,0,0,0|2,0,0]=4 4868 B9R1.7 Cc1cc(CNO)no1 Amb33317141 [0,2,0,0,0,0|2,0,0]=4 4869 B9R1.7 Cc1cc(CNO)on1 Amb24637557 [0,2,0,0,0,0|1,0,0]=3 4870 B9R1.7 Cc1cc(CNO)sn1 Amb35717244 [0,2,0,0,0,0|1,1,0]=4 4871 B9R1.7 Cc1cc(CON)cs1 Amb27605612 [0,2,0,0,0,0|2,0,0]=4 4872 B9R1.7 Cc1cc(CON)no1 Amb26927167 [0,2,0,0,0,0|2,0,0]=4 4873 B9R1.7 Cc1cc(CON)on1 Amb26390716 [0,2,0,0,0,0|1,0,0]=3 4874 B9R1.7 Cc1cc(\C=N\O)on1 Amb27462663 [0,2,0,0,0,0|1,0,1]=4 4875 B9R1.7 Cc1ccc(CC#N)s1 Amb33530085 [0,2,0,0,0,0|1,1,0]=4 4876 B9R1.7 Cc1ccc(CC=O)o1 Amb26584704 [0,2,0,0,0,0|0,0,1]=3 4877 B9R1.7 Cc1ccc(CC=O)s1 Amb24679545 [0,2,0,0,0,0|0,1,1]=4 4878 B9R1.7 Cc1ccc(CCBr)o1 Amb26362494 [0,2,0,0,0,0|1,0,0]=3 4879 B9R1.7 Cc1ccc(CCBr)s1 Amb25741696 [0,2,0,0,0,0|1,1,0]=4 4880 B9R1.7 Cc1ccc(CCCl)o1 Amb25887328 [0,2,0,0,0,0|1,0,0]=3 4881 B9R1.7 Cc1ccc(CCN)o1 Amb2592358 [0,2,0,0,0,0|1,0,0]=3 4882 B9R1.7 Cc1ccc(CCN)s1 Amb22749482 [0,2,0,0,0,0|1,1,0]=4 4883 B9R1.7 Cc1ccc(CCN)s1 Amb2592466 [0,2,0,0,0,0|1,1,0]=4 4884 B9R1.7 Cc1ccc(CCO)o1 Amb24496246 [0,2,0,0,0,0|0,0,0]=2 4885 B9R1.7 Cc1ccc(CCO)s1 Amb27981032 [0,2,0,0,0,0|0,1,0]=3 4886 B9R1.7 Cc1ccc(CCS)o1 Amb27267502 [0,2,0,0,0,0|0,1,0]=3 4887 B9R1.7 Cc1ccc(CCS)s1 Amb28121258 [0,2,0,0,0,0|0,2,0]=4 4888 B9R1.7 Cc1ccc(CNN)o1 Amb6250978 [0,2,0,0,0,0|1,0,0]=3 4889 B9R1.7 Cc1ccc(CNN)s1 Amb6254535 [0,2,0,0,0,0|1,1,0]=4 4890 B9R1.7 Cc1ccc(CNO)o1 Amb26622400 [0,2,0,0,0,0|0,0,0]=2 4891 B9R1.7 Cc1ccc(CNO)s1 Amb26623846 [0,2,0,0,0,0|0,1,0]=3 4892 B9R1.7 Cc1ccc(CON)o1 Amb24679622 [0,2,0,0,0,0|0,0,0]=2 4893 B9R1.7 Cc1ccc(CON)s1 Amb33375470 [0,2,0,0,0,0|0,1,0]=3 4894 B9R1.7 Cc1ccc(N=C=O)o1 Amb6744837 [0,2,0,0,0,0|0,0,2]=4 4895 B9R1.7 Cc1ccc(\C=C\Br)o1 Amb33134842 [0,2,0,0,0,0|1,0,1]=4 4896 B9R1.7 Cc1ccc(\C=N/O)o1 Amb25147225 [0,2,0,0,0,0|0,0,1]=3 4897 B9R1.7 Cc1ccc(\C=N\O)o1 Amb6384039 [0,2,0,0,0,0|0,0,1]=3 4898 B9R1.7 Cc1ccc(\C=N\O)s1 Amb2611525 [0,2,0,0,0,0|0,1,1]=4 4899 B9R1.7 Cc1ccn(CCO)n1 Amb33483686 [0,2,0,0,0,0|2,0,0]=4 4900 B9R1.7 Cc1ccn(CCO)n1 Amb9766451 [0,2,0,0,0,0|2,0,0]=4 4901 B9R1.7 Cc1cnc(CC#N)o1 Amb27645189 [0,2,0,0,0,0|2,0,0]=4 4902 B9R1.7 Cc1cnc(CCBr)o1 Amb27806462 [0,2,0,0,0,0|2,0,0]=4 4903 B9R1.7 Cc1cnc(CCN)o1 Amb5733030 [0,2,0,0,0,0|2,0,0]=4 4904 B9R1.7 Cc1cnn(CCO)c1 Amb22587123 [0,2,0,0,0,0|2,0,0]=4 4905 B9R1.7 Cc1cnn(CCO)c1 Amb9766450 [0,2,0,0,0,0|2,0,0]=4 4906 B9R1.7 Cc1coc(CC#N)c1 Amb27638239 [0,2,0,0,0,0|1,0,0]=3 4907 B9R1.7 Cc1coc(CCCl)n1 Amb32671978 [0,2,0,0,0,0|2,0,0]=4 4908 B9R1.7 Cc1coc(CCN)c1 Amb18832812 [0,2,0,0,0,0|1,0,0]=3 4909 B9R1.7 Cc1coc(CCN)n1 Amb18832751 [0,2,0,0,0,0|2,0,0]=4 4910 B9R1.7 Cc1coc(CCO)c1 Amb26849213 [0,2,0,0,0,0|0,0,0]=2 4911 B9R1.7 Cc1coc(SCCl)n1 Amb27865789 [0,2,0,0,0,0|2,0,0]=4 4912 B9R1.7 Cc1coc(\C=C\Br)c1 Amb33135438 [0,2,0,0,0,0|1,0,1]=4 4913 B9R1.7 Cc1coc(\C=N\O)c1 Amb27945602 [0,2,0,0,0,0|0,0,1]=3 4914 B9R1.7 Cc1csc(CC=O)c1 Amb33427149 [0,2,0,0,0,0|0,1,1]=4 4915 B9R1.7 Cc1csc(CCBr)c1 Amb33333709 [0,2,0,0,0,0|1,1,0]=4 4916 B9R1.7 Cc1csc(CCN)c1 Amb18831670 [0,2,0,0,0,0|1,1,0]=4 4917 B9R1.7 Cc1csc(CCO)c1 Amb17593605 [0,2,0,0,0,0|0,1,0]=3 4918 B9R1.7 Cc1csc(CCO)n1 Amb24417243 [0,2,0,0,0,0|1,1,0]=4 4919 B9R1.7 Cc1csc(CCS)c1 Amb33373441 [0,2,0,0,0,0|0,2,0]=4 4920 B9R1.7 Cc1csc(CNN)c1 Amb24689793 [0,2,0,0,0,0|1,1,0]=4 4921 B9R1.7 Cc1csc(CNO)c1 Amb33427991 [0,2,0,0,0,0|0,1,0]=3 4922 B9R1.7 Cc1csc(CNO)n1 Amb27460265 [0,2,0,0,0,0|1,1,0]=4 4923 B9R1.7 Cc1csc(CON)c1 Amb33427165 [0,2,0,0,0,0|0,1,0]=3 4924 B9R1.7 Cc1csc(\C=N\O)c1 Amb27633459 [0,2,0,0,0,0|0,1,1]=4 4925 B9R1.7 Cc1nc(CCO)co1 Amb27481327 [0,2,0,0,0,0|2,0,0]=4 4926 B9R1.7 Cc1nc(CCO)cs1 Amb33544498 [0,2,0,0,0,0|2,0,0]=4 4927 B9R1.7 Cc1nc(CNO)cs1 Amb26478334 [0,2,0,0,0,0|2,0,0]=4 4928 B9R1.7 Cc1nc(CON)cs1 Amb24103233 [0,2,0,0,0,0|2,0,0]=4 4929 B9R1.7 Cc1ncc(CC#N)o1 Amb10071204 [0,2,0,0,0,0|2,0,0]=4 4930 B9R1.7 Cc1ncc(CCN)o1 Amb17399806 [0,2,0,0,0,0|2,0,0]=4 4931 B9R1.7 Cc1ncc(CCN)o1 Amb33338846 [0,2,0,0,0,0|2,0,0]=4 4932 B9R1.7 Cc1ncc(CCO)s1 Amb23536232 [0,2,0,0,0,0|1,1,0]=4 4933 B9R1.7 Cc1ncc(CNO)s1 Amb27424633 [0,2,0,0,0,0|1,1,0]=4 4934 B9R1.7 Cc1ncc(CON)s1 Amb25092356 [0,2,0,0,0,0|1,1,0]=4 4935 B9R1.7 Cc1nnc(CCO)o1 Amb25889767 [0,2,0,0,0,0|2,0,0]=4 4936 B9R1.7 Cc1noc(CCO)n1 Amb27242586 [0,2,0,0,0,0|2,0,0]=4 4937 B9R1.7 ClCCc1cc(Br)cs1 Amb18861068 [0,2,0,0,0,0|1,1,0]=4 4938 B9R1.7 ClCCc1ccc(Br)s1 Amb18225218 [0,2,0,0,0,0|1,1,0]=4 4939 B9R1.7 ClCCc1ccc(Cl)s1 Amb18862991 [0,2,0,0,0,0|1,1,0]=4 4940 B9R1.7 Clc1ccc(CCBr)o1 Amb33335921 [0,2,0,0,0,0|1,0,0]=3 4941 B9R1.7 Clc1ccc(CCBr)s1 Amb18225213 [0,2,0,0,0,0|1,1,0]=4 4942 B9R1.7 Clc1csc(CCBr)c1 Amb25888872 [0,2,0,0,0,0|1,1,0]=4 4943 B9R1.7 Cn1ccc(CCO)c1 Amb18860516 [0,2,0,0,0,0|2,0,0]=4 4944 B9R1.7 Cn1ccc(CCO)n1 Amb33553108 [0,2,0,0,0,0|2,0,0]=4 4945 B9R1.7 Cn1ccc(CNO)n1 Amb24636195 [0,2,0,0,0,0|2,0,0]=4 4946 B9R1.7 Cn1ccc(CON)n1 Amb18642510 [0,2,0,0,0,0|2,0,0]=4 4947 B9R1.7 Cn1cnc(CCO)c1 Amb26918558 [0,2,0,0,0,0|2,0,0]=4 4948 B9R1.7 Cn1cnc(CNO)c1 Amb25317733 [0,2,0,0,0,0|2,0,0]=4 4949 B9R1.7 Cn1cnc(CON)c1 Amb33326997 [0,2,0,0,0,0|2,0,0]=4 4950 B9R1.7 N#CCc1cc(Br)co1 Amb18129572 [0,2,0,0,0,0|1,0,0]=3 4951 B9R1.7 N#CCc1cc(Br)cs1 Amb10070334 [0,2,0,0,0,0|1,1,0]=4 4952 B9R1.7 N#CCc1cc(Cl)cs1 Amb33057833 [0,2,0,0,0,0|1,1,0]=4 4953 B9R1.7 N#CCc1cc(F)cs1 Amb27813628 [0,2,0,0,0,0|1,1,0]=4 4954 B9R1.7 N#CCc1cc(N)no1 Amb18832969 [0,2,0,0,0,0|2,0,0]=4 4955 B9R1.7 N#CCc1ccc(Br)o1 Amb8837044 [0,2,0,0,0,0|1,0,0]=3 4956 B9R1.7 N#CCc1ccc(Br)s1 Amb6254678 [0,2,0,0,0,0|1,1,0]=4 4957 B9R1.7 N#CCc1ccc(Cl)o1 Amb28208689 [0,2,0,0,0,0|1,0,0]=3 4958 B9R1.7 N#CCc1ccc(Cl)s1 Amb6253847 [0,2,0,0,0,0|1,1,0]=4 4959 B9R1.7 N#CCc1ccc(F)s1 Amb24192737 [0,2,0,0,0,0|1,1,0]=4 4960 B9R1.7 N#CCc1cnc(Cl)o1 Amb28135526 [0,2,0,0,0,0|2,0,0]=4 4961 B9R1.7 NCCC1=CC(=O)NO1 Amb18832645 [0,2,0,0,0,0|2,0,0]=4 4962 B9R1.7 NCCc1cc(Br)co1 Amb25875016 [0,2,0,0,0,0|1,0,0]=3 4963 B9R1.7 NCCc1cc(Br)cs1 Amb10067274 [0,2,0,0,0,0|1,1,0]=4 4964 B9R1.7 NCCc1cc(Br)cs1 Amb7783539 [0,2,0,0,0,0|1,1,0]=4 4965 B9R1.7 NCCc1cc(Br)no1 Amb26845612 [0,2,0,0,0,0|2,0,0]=4 4966 B9R1.7 NCCc1cc(Cl)co1 Amb18831465 [0,2,0,0,0,0|1,0,0]=3 4967 B9R1.7 NCCc1cc(Cl)cs1 Amb23441690 [0,2,0,0,0,0|1,1,0]=4 4968 B9R1.7 NCCc1cc(Cl)cs1 Amb29218357 [0,2,0,0,0,0|1,1,0]=4 4969 B9R1.7 NCCc1cc(Cl)no1 Amb28196161 [0,2,0,0,0,0|2,0,0]=4 4970 B9R1.7 NCCc1cc(N)no1 Amb27240019 [0,2,0,0,0,0|2,0,0]=4 4971 B9R1.7 NCCc1cc(O)no1 Amb33329494 [0,2,0,0,0,0|2,0,0]=4 4972 B9R1.7 NCCc1ccc(Br)o1 Amb20626078 [0,2,0,0,0,0|1,0,0]=3 4973 B9R1.7 NCCc1ccc(Br)o1 Amb6248272 [0,2,0,0,0,0|1,0,0]=3 4974 B9R1.7 NCCc1ccc(Br)s1 Amb1107706 [0,2,0,0,0,0|1,1,0]=4 4975 B9R1.7 NCCc1ccc(Br)s1 Amb143881 [0,2,0,0,0,0|1,1,0]=4 4976 B9R1.7 NCCc1ccc(Cl)o1 Amb18963970 [0,2,0,0,0,0|1,0,0]=3 4977 B9R1.7 NCCc1ccc(Cl)s1 Amb10205375 [0,2,0,0,0,0|1,1,0]=4 4978 B9R1.7 NCCc1ccc(Cl)s1 Amb6254272 [0,2,0,0,0,0|1,1,0]=4 4979 B9R1.7 NCCc1ccc(F)s1 Amb24054158 [0,2,0,0,0,0|1,1,0]=4 4980 B9R1.7 NCCc1ccc(F)s1 Amb27862987 [0,2,0,0,0,0|1,1,0]=4 4981 B9R1.7 NCCc1ccc(I)o1 Amb26645284 [0,2,0,0,0,0|1,0,0]=3 4982 B9R1.7 NCCc1ccc(I)s1 Amb1109579 [0,2,0,0,0,0|1,1,0]=4 4983 B9R1.7 NCCc1ccc(I)s1 Amb33548798 [0,2,0,0,0,0|1,1,0]=4 4984 B9R1.7 NCCc1cnc(Cl)o1 Amb28129913 [0,2,0,0,0,0|2,0,0]=4 4985 B9R1.7 NCCc1nc(Cl)co1 Amb28073006 [0,2,0,0,0,0|2,0,0]=4 4986 B9R1.7 NNCc1cc(Br)co1 Amb33431548 [0,2,0,0,0,0|1,0,0]=3 4987 B9R1.7 NNCc1cc(Br)cs1 Amb7783753 [0,2,0,0,0,0|1,1,0]=4 4988 B9R1.7 NNCc1cc(Cl)cs1 Amb25888857 [0,2,0,0,0,0|1,1,0]=4 4989 B9R1.7 NNCc1ccc(Br)o1 Amb6246061 [0,2,0,0,0,0|1,0,0]=3 4990 B9R1.7 NNCc1ccc(Br)s1 Amb6247407 [0,2,0,0,0,0|1,1,0]=4 4991 B9R1.7 NNCc1ccc(Cl)o1 Amb26486230 [0,2,0,0,0,0|1,0,0]=3 4992 B9R1.7 NNCc1ccc(Cl)s1 Amb6253487 [0,2,0,0,0,0|1,1,0]=4 4993 B9R1.7 NOCc1cc(Br)co1 Amb33431553 [0,2,0,0,0,0|0,0,0]=2 4994 B9R1.7 NOCc1cc(Br)cs1 Amb24627588 [0,2,0,0,0,0|0,1,0]=3 4995 B9R1.7 NOCc1cc(Cl)cs1 Amb33057825 [0,2,0,0,0,0|0,1,0]=3 4996 B9R1.7 NOCc1ccc(Br)o1 Amb25032146 [0,2,0,0,0,0|0,0,0]=2 4997 B9R1.7 NOCc1ccc(Br)s1 Amb27836325 [0,2,0,0,0,0|0,1,0]=3 4998 B9R1.7 NOCc1ccc(Cl)o1 Amb33258358 [0,2,0,0,0,0|0,0,0]=2 4999 B9R1.7 NOCc1ccc(Cl)s1 Amb18126398 [0,2,0,0,0,0|0,1,0]=3 5000 B9R1.7 NOCc1cnc(Cl)s1 Amb27963098 [0,2,0,0,0,0|1,1,0]=4 5001 B9R1.7 NOCc1cnc(N)s1 Amb27463488 [0,2,0,0,0,0|1,1,0]=4 5002 B9R1.7 NOCc1csc(Br)c1 Amb33007505 [0,2,0,0,0,0|2,0,0]=4 5003 B9R1.7 NOCc1csc(Br)n1 Amb33335440 [0,2,0,0,0,0|2,0,0]=4 5004 B9R1.7 NOCc1csc(N)n1 Amb28397884 [0,2,0,0,0,0|2,0,0]=4 5005 B9R1.7 NOCc1nc(N)no1 Amb28422680 [0,2,0,0,0,0|2,0,0]=4 5006 B9R1.7 NOCc1ncc(Br)s1 Amb33436081 [0,2,0,0,0,0|1,1,0]=4 5007 B9R1.7 Nc1cc(CCF)on1 Amb33480676 [0,2,0,0,0,0|2,0,0]=4 5008 B9R1.7 Nc1ccn(CCO)n1 Amb16229863 [0,2,0,0,0,0|2,0,0]=4 5009 B9R1.7 Nc1ccn(CCO)n1 Amb22282177 [0,2,0,0,0,0|2,0,0]=4 5010 B9R1.7 Nc1cnn(CCO)c1 Amb10609894 [0,2,0,0,0,0|2,0,0]=4 5011 B9R1.7 Nc1cnn(CCO)c1 Amb33527710 [0,2,0,0,0,0|2,0,0]=4 5012 B9R1.7 Nc1nc(CCO)cs1 Amb10607935 [0,2,0,0,0,0|2,0,0]=4 5013 B9R1.7 Nc1nc(CCO)cs1 Amb22587080 [0,2,0,0,0,0|2,0,0]=4 5014 B9R1.7 Nc1ncc(CCCl)o1 Amb27881668 [0,2,0,0,0,0|2,0,0]=4 5015 B9R1.7 Nc1ncc(CCF)o1 Amb33195721 [0,2,0,0,0,0|2,0,0]=4 5016 B9R1.7 Nc1ncc(CCO)s1 Amb18644160 [0,2,0,0,0,0|1,1,0]=4 5017 B9R1.7 O=C1C=CC(CCO)C1 Amb27256296 [0,2,0,0,0,0|1,0,1]=4 5018 B9R1.7 O=C1C=CC(CCO)O1 Amb18832646 [0,2,0,0,0,0|0,0,1]=3 5019 B9R1.7 O=C1C=CC(CCO)S1 Amb28143598 [0,2,0,0,0,0|0,1,1]=4 5020 B9R1.7 O=C1C=CN(CCO)N1 Amb32794679 [0,2,0,0,0,0|2,0,0]=4 5021 B9R1.7 O=C1C=C[C@H](CCO)O1 Amb27486246 [0,2,0,0,0,0|0,0,1]=3 5022 B9R1.7 O=C=Nc1ccc(Br)o1 Amb33532709 [0,2,0,0,0,0|0,0,2]=4 5023 B9R1.7 O=CCc1cc(Br)co1 Amb25249614 [0,2,0,0,0,0|0,0,1]=3 5024 B9R1.7 O=CCc1cc(Br)cs1 Amb26495921 [0,2,0,0,0,0|0,1,1]=4 5025 B9R1.7 O=CCc1cc(Cl)cs1 Amb26982645 [0,2,0,0,0,0|0,1,1]=4 5026 B9R1.7 O=CCc1ccc(Br)o1 Amb27870879 [0,2,0,0,0,0|0,0,1]=3 5027 B9R1.7 O=CCc1ccc(Br)s1 Amb24433759 [0,2,0,0,0,0|0,1,1]=4 5028 B9R1.7 O=CCc1ccc(Cl)o1 Amb25174639 [0,2,0,0,0,0|0,0,1]=3 5029 B9R1.7 O=CCc1ccc(Cl)s1 Amb27765092 [0,2,0,0,0,0|0,1,1]=4 5030 B9R1.7 O=C\C=C1/C=CC(=O)O1 Amb24334582 [0,2,0,0,0,0|0,0,2]=4 5031 B9R1.7 OCCC1=CNC(=S)S1 Amb28196658 [0,2,0,0,0,0|1,1,0]=4 5032 B9R1.7 OCCc1cc(Br)co1 Amb33431360 [0,2,0,0,0,0|0,0,0]=2 5033 B9R1.7 OCCc1cc(Br)cs1 Amb18224933 [0,2,0,0,0,0|0,1,0]=3 5034 B9R1.7 OCCc1cc(Br)no1 Amb2455856 [0,2,0,0,0,0|1,0,0]=3 5035 B9R1.7 OCCc1cc(Cl)cs1 Amb25682063 [0,2,0,0,0,0|0,1,0]=3 5036 B9R1.7 OCCc1ccc(Br)o1 Amb26562124 [0,2,0,0,0,0|0,0,0]=2 5037 B9R1.7 OCCc1ccc(Br)s1 Amb17239160 [0,2,0,0,0,0|0,1,0]=3 5038 B9R1.7 OCCc1ccc(Cl)o1 Amb32747715 [0,2,0,0,0,0|0,0,0]=2 5039 B9R1.7 OCCc1ccc(Cl)s1 Amb17232423 [0,2,0,0,0,0|0,1,0]=3 5040 B9R1.7 OCCc1cnc(Br)s1 Amb22495409 [0,2,0,0,0,0|1,1,0]=4 5041 B9R1.7 OCCc1cnc(Cl)s1 Amb22495215 [0,2,0,0,0,0|1,1,0]=4 5042 B9R1.7 OCCc1coc(Cl)n1 Amb27185979 [0,2,0,0,0,0|2,0,0]=4 5043 B9R1.7 OCCc1csc(Br)c1 Amb26549826 [0,2,0,0,0,0|2,0,0]=4 5044 B9R1.7 OCCc1csc(Br)n1 Amb22495406 [0,2,0,0,0,0|2,0,0]=4 5045 B9R1.7 OCCc1csc(Cl)c1 Amb26925413 [0,2,0,0,0,0|2,0,0]=4 5046 B9R1.7 OCCc1csc(Cl)n1 Amb26919870 [0,2,0,0,0,0|2,0,0]=4 5047 B9R1.7 OCCc1nc(Br)cs1 Amb24719543 [0,2,0,0,0,0|1,1,0]=4 5048 B9R1.7 OCCc1ncc(Br)s1 Amb33434841 [0,2,0,0,0,0|1,1,0]=4 5049 B9R1.7 OCCc1ncc(Cl)s1 Amb27768827 [0,2,0,0,0,0|1,1,0]=4 5050 B9R1.7 OCCc1ncc(I)s1 Amb27248191 [0,2,0,0,0,0|1,1,0]=4 5051 B9R1.7 OCCn1cc(Br)cn1 Amb1102317 [0,2,0,0,0,0|2,0,0]=4 5052 B9R1.7 OCCn1cc(Cl)cn1 Amb2692185 [0,2,0,0,0,0|2,0,0]=4 5053 B9R1.7 OCCn1cc(F)cn1 Amb23402170 [0,2,0,0,0,0|2,0,0]=4 5054 B9R1.7 OCCn1cc(I)cn1 Amb22498613 [0,2,0,0,0,0|2,0,0]=4 5055 B9R1.7 OCCn1cc(O)cn1 Amb18832639 [0,2,0,0,0,0|2,0,0]=4 5056 B9R1.7 OCCn1ccc(Br)n1 Amb23541422 [0,2,0,0,0,0|2,0,0]=4 5057 B9R1.7 ONCc1cc(Br)co1 Amb33332972 [0,2,0,0,0,0|0,0,0]=2 5058 B9R1.7 ONCc1cc(Br)cs1 Amb26622417 [0,2,0,0,0,0|0,1,0]=3 5059 B9R1.7 ONCc1cc(Cl)cs1 Amb25786956 [0,2,0,0,0,0|0,1,0]=3 5060 B9R1.7 ONCc1ccc(Br)o1 Amb28280516 [0,2,0,0,0,0|0,0,0]=2 5061 B9R1.7 ONCc1ccc(Br)s1 Amb28324921 [0,2,0,0,0,0|0,1,0]=3 5062 B9R1.7 ONCc1ccc(Cl)o1 Amb24449836 [0,2,0,0,0,0|0,0,0]=2 5063 B9R1.7 ONCc1ccc(Cl)s1 Amb26529025 [0,2,0,0,0,0|0,1,0]=3 5064 B9R1.7 ONCc1cnc(Cl)s1 Amb33059198 [0,2,0,0,0,0|1,1,0]=4 5065 B9R1.7 ONCc1csc(Br)c1 Amb26515843 [0,2,0,0,0,0|2,0,0]=4 5066 B9R1.7 ONCc1csc(Br)n1 Amb33334905 [0,2,0,0,0,0|2,0,0]=4 5067 B9R1.7 ONCc1ncc(Br)s1 Amb33485229 [0,2,0,0,0,0|1,1,0]=4 5068 B9R1.7 O\N=C/c1ccc(Br)s1 Amb21811533 [0,2,0,0,0,0|0,1,1]=4 5069 B9R1.7 O\N=C\c1cc(Br)cs1 Amb6341876 [0,2,0,0,0,0|0,1,1]=4 5070 B9R1.7 O\N=C\c1cc(Cl)cs1 Amb27656675 [0,2,0,0,0,0|0,1,1]=4 5071 B9R1.7 O\N=C\c1ccc(Br)o1 Amb2387512 [0,2,0,0,0,0|0,0,1]=3 5072 B9R1.7 O\N=C\c1ccc(Br)s1 Amb2751885 [0,2,0,0,0,0|0,1,1]=4 5073 B9R1.7 O\N=C\c1ccc(Cl)o1 Amb8357988 [0,2,0,0,0,0|0,0,1]=3 5074 B9R1.7 O\N=C\c1ccc(F)s1 Amb19892823 [0,2,0,0,0,0|0,1,1]=4 5075 B9R1.7 O\N=C\c1ccc(I)o1 Amb16239327 [0,2,0,0,0,0|0,0,1]=3 5076 B9R1.7 SCCc1cc(Br)co1 Amb33432206 [0,2,0,0,0,0|0,1,0]=3 5077 B9R1.7 SCCc1cc(Br)cs1 Amb18570897 [0,2,0,0,0,0|0,2,0]=4 5078 B9R1.7 SCCc1cc(Cl)cs1 Amb33058596 [0,2,0,0,0,0|0,2,0]=4 5079 B9R1.7 SCCc1ccc(Br)o1 Amb33452201 [0,2,0,0,0,0|0,1,0]=3 5080 B9R1.7 SCCc1ccc(Br)s1 Amb17471938 [0,2,0,0,0,0|0,2,0]=4 5081 B9R1.7 SCCc1ccc(Cl)o1 Amb33258685 [0,2,0,0,0,0|0,1,0]=3 5082 B9R1.7 SCCc1ccc(Cl)s1 Amb17470585 [0,2,0,0,0,0|0,2,0]=4 5083 B9R1.7 [C-]#[N+]Cc1cc(Br)co1 Amb33431549 [0,2,0,0,0,0|1,0,0]=3 5084 B9R1.7 [C-]#[N+]Cc1cc(Br)cs1 Amb33388185 [0,2,0,0,0,0|1,1,0]=4 5085 B9R1.7 [C-]#[N+]Cc1cc(C)cs1 Amb33427606 [0,2,0,0,0,0|1,1,0]=4 5086 B9R1.7 [C-]#[N+]Cc1cc(C)no1 Amb33326780 [0,2,0,0,0,0|2,0,0]=4 5087 B9R1.7 [C-]#[N+]Cc1cc(Cl)cs1 Amb33057766 [0,2,0,0,0,0|1,1,0]=4 5088 B9R1.7 [C-]#[N+]Cc1ccc(Br)o1 Amb33451907 [0,2,0,0,0,0|1,0,0]=3 5089 B9R1.7 [C-]#[N+]Cc1ccc(Br)s1 Amb5351125 [0,2,0,0,0,0|1,1,0]=4 5090 B9R1.7 [C-]#[N+]Cc1ccc(C)o1 Amb1981057 [0,2,0,0,0,0|1,0,0]=3 5091 B9R1.7 [C-]#[N+]Cc1ccc(C)s1 Amb5351124 [0,2,0,0,0,0|1,1,0]=4 5092 B9R1.7 [C-]#[N+]Cc1ccc(Cl)o1 Amb33258341 [0,2,0,0,0,0|1,0,0]=3 5093 B9R1.7 [C-]#[N+]Cc1ccc(Cl)s1 Amb3973220 [0,2,0,0,0,0|1,1,0]=4 5094 B9R1.21 C#Cc1cc(CC)on1 Amb33169111 [0,2,0,0,0,0|2,0,0]=4 5095 B9R1.21 C#Cc1ccc(C#C)o1 Amb27265598 [0,2,0,0,0,0|1,0,1]=4 5096 B9R1.21 C#Cc1ccc(C=O)o1 Amb16192466 [0,2,0,0,0,0|0,0,2]=4 5097 B9R1.21 C#Cc1ccc(CC)o1 Amb27205080 [0,2,0,0,0,0|1,0,0]=3 5098 B9R1.21 C#Cc1ccc(CC)s1 Amb25789529 [0,2,0,0,0,0|1,1,0]=4 5099 B9R1.21 C#Cc1ccc(CN)o1 Amb27588780 [0,2,0,0,0,0|1,0,0]=3 5100 B9R1.21 C#Cc1ccc(CN)s1 Amb27406930 [0,2,0,0,0,0|1,1,0]=4 5101 B9R1.21 C#Cc1coc(C=O)c1 Amb28423917 [0,2,0,0,0,0|0,0,2]=4 5102 B9R1.21 C#Cc1csc(CN)c1 Amb28366875 [0,2,0,0,0,0|1,1,0]=4 5103 B9R1.21 C#Cc1csc(CO)n1 Amb27750199 [0,2,0,0,0,0|1,1,0]=4 5104 B9R1.21 C=Cc1coc(CCl)n1 Amb27260598 [0,2,0,0,0,0|2,0,0]=4 5105 B9R1.21 C=Cc1csc(CN)c1 Amb28187737 [0,2,0,0,0,0|1,1,0]=4 5106 B9R1.21 CCC1=COC(CO)C1 Amb27660962 [0,2,0,0,0,0|0,0,2]=4 5107 B9R1.21 CCc1cc(C=O)no1 Amb18832855 [0,2,0,0,0,0|2,0,0]=4 5108 B9R1.21 CCc1cc(CBr)on1 Amb26965794 [0,2,0,0,0,0|2,0,0]=4 5109 B9R1.21 CCc1cc(CCl)no1 Amb24581244 [0,2,0,0,0,0|2,0,0]=4 5110 B9R1.21 CCc1cc(CCl)on1 Amb6891268 [0,2,0,0,0,0|2,0,0]=4 5111 B9R1.21 CCc1cc(CN)co1 Amb29864682 [0,2,0,0,0,0|1,0,0]=3 5112 B9R1.21 CCc1cc(CN)cs1 Amb18908358 [0,2,0,0,0,0|1,1,0]=4 5113 B9R1.21 CCc1cc(CN)no1 Amb21955823 [0,2,0,0,0,0|2,0,0]=4 5114 B9R1.21 CCc1cc(CN)no1 Amb9902084 [0,2,0,0,0,0|2,0,0]=4 5115 B9R1.21 CCc1cc(CN)on1 Amb21955501 [0,2,0,0,0,0|2,0,0]=4 5116 B9R1.21 CCc1cc(CN)on1 Amb2721802 [0,2,0,0,0,0|2,0,0]=4 5117 B9R1.21 CCc1cc(CO)co1 Amb28399121 [0,2,0,0,0,0|1,0,0]=3 5118 B9R1.21 CCc1cc(CO)cs1 Amb17093897 [0,2,0,0,0,0|1,1,0]=4 5119 B9R1.21 CCc1cc(CO)no1 Amb24074422 [0,2,0,0,0,0|2,0,0]=4 5120 B9R1.21 CCc1cc(CO)on1 Amb7088959 [0,2,0,0,0,0|1,0,0]=3 5121 B9R1.21 CCc1cc(CO)sn1 Amb27441290 [0,2,0,0,0,0|1,1,0]=4 5122 B9R1.21 CCc1ccc(C#N)o1 Amb10574576 [0,2,0,0,0,0|1,0,0]=3 5123 B9R1.21 CCc1ccc(C#N)s1 Amb9781634 [0,2,0,0,0,0|1,1,0]=4 5124 B9R1.21 CCc1ccc(C=O)o1 Amb844097 [0,2,0,0,0,0|1,0,0]=3 5125 B9R1.21 CCc1ccc(C=O)s1 Amb2722496 [0,2,0,0,0,0|1,1,0]=4 5126 B9R1.21 CCc1ccc(CBr)s1 Amb27837525 [0,2,0,0,0,0|1,1,0]=4 5127 B9R1.21 CCc1ccc(CC)o1 Amb27221509 [0,2,0,0,0,0|1,0,0]=3 5128 B9R1.21 CCc1ccc(CCl)s1 Amb18797933 [0,2,0,0,0,0|1,1,0]=4 5129 B9R1.21 CCc1ccc(CI)s1 Amb27423501 [0,2,0,0,0,0|1,1,0]=4 5130 B9R1.21 CCc1ccc(CN)o1 Amb18960153 [0,2,0,0,0,0|1,0,0]=3 5131 B9R1.21 CCc1ccc(CN)s1 Amb6257247 [0,2,0,0,0,0|1,1,0]=4 5132 B9R1.21 CCc1ccc(CO)s1 Amb8846379 [0,2,0,0,0,0|0,1,0]=3 5133 B9R1.21 CCc1ccc(CS)o1 Amb24367663 [0,2,0,0,0,0|0,1,0]=3 5134 B9R1.21 CCc1ccc(CS)s1 Amb6257353 [0,2,0,0,0,0|0,2,0]=4 5135 B9R1.21 CCc1ccc(NC)o1 Amb27955653 [0,2,0,0,0,0|1,0,0]=3 5136 B9R1.21 CCc1ccc(OC)o1 Amb25229999 [0,2,0,0,0,0|1,0,0]=3 5137 B9R1.21 CCc1ccc(OC)s1 Amb25380674 [0,2,0,0,0,0|1,1,0]=4 5138 B9R1.21 CCc1cnc(C#N)o1 Amb33512345 [0,2,0,0,0,0|2,0,0]=4 5139 B9R1.21 CCc1cnc(C=O)o1 Amb8011201 [0,2,0,0,0,0|2,0,0]=4 5140 B9R1.21 CCc1cnc(CBr)o1 Amb32688052 [0,2,0,0,0,0|2,0,0]=4 5141 B9R1.21 CCc1cnc(CCl)o1 Amb19148906 [0,2,0,0,0,0|2,0,0]=4 5142 B9R1.21 CCc1cnc(CN)o1 Amb18832750 [0,2,0,0,0,0|2,0,0]=4 5143 B9R1.21 CCc1cnc(CO)o1 Amb32685453 [0,2,0,0,0,0|1,0,0]=3 5144 B9R1.21 CCc1cnc(CO)s1 Amb24271105 [0,2,0,0,0,0|1,1,0]=4 5145 B9R1.21 CCc1coc(C=O)c1 Amb18673932 [0,2,0,0,0,0|0,0,2]=4 5146 B9R1.21 CCc1coc(CCl)n1 Amb25873791 [0,2,0,0,0,0|2,0,0]=4 5147 B9R1.21 CCc1coc(CS)c1 Amb27960882 [0,2,0,0,0,0|0,1,0]=3 5148 B9R1.21 CCc1csc(CO)n1 Amb26420361 [0,2,0,0,0,0|1,1,0]=4 5149 B9R1.21 CCc1nc(C#N)co1 Amb32657184 [0,2,0,0,0,0|2,0,0]=4 5150 B9R1.21 CCc1nc(C=O)co1 Amb25679095 [0,2,0,0,0,0|2,0,0]=4 5151 B9R1.21 CCc1nc(CBr)co1 Amb32680024 [0,2,0,0,0,0|2,0,0]=4 5152 B9R1.21 CCc1nc(CCl)co1 Amb17399896 [0,2,0,0,0,0|2,0,0]=4 5153 B9R1.21 CCc1nc(CN)co1 Amb17399807 [0,2,0,0,0,0|2,0,0]=4 5154 B9R1.21 CCc1nc(CO)co1 Amb27148238 [0,2,0,0,0,0|2,0,0]=4 5155 B9R1.21 CCc1nc(CO)cs1 Amb22587132 [0,2,0,0,0,0|2,0,0]=4 5156 B9R1.21 CCc1nc(CO)cs1 Amb33527360 [0,2,0,0,0,0|2,0,0]=4 5157 B9R1.21 CCc1ncc(C=O)o1 Amb17399800 [0,2,0,0,0,0|2,0,0]=4 5158 B9R1.21 CCc1ncc(CBr)o1 Amb24669190 [0,2,0,0,0,0|2,0,0]=4 5159 B9R1.21 CCc1ncc(CCl)o1 Amb28120987 [0,2,0,0,0,0|2,0,0]=4 5160 B9R1.21 CCc1ncc(CN)o1 Amb17231843 [0,2,0,0,0,0|2,0,0]=4 5161 B9R1.21 CCc1ncc(CO)o1 Amb26966503 [0,2,0,0,0,0|1,0,0]=3 5162 B9R1.21 CCc1ncc(CO)s1 Amb17514230 [0,2,0,0,0,0|1,1,0]=4 5163 B9R1.21 CCc1ncc(OC)o1 Amb27636438 [0,2,0,0,0,0|2,0,0]=4 5164 B9R1.21 CCc1noc(CO)n1 Amb33531859 [0,2,0,0,0,0|2,0,0]=4 5165 B9R1.21 CCn1ccc(CO)c1 Amb27161033 [0,2,0,0,0,0|2,0,0]=4 5166 B9R1.21 CCn1ccc(CO)n1 Amb6891043 [0,2,0,0,0,0|2,0,0]=4 5167 B9R1.21 CNc1cc(CN)on1 Amb27838532 [0,2,0,0,0,0|2,0,0]=4 5168 B9R1.21 CNc1cc(SC)co1 Amb27212560 [0,2,0,0,0,0|2,0,0]=4 5169 B9R1.21 CNc1nc(CO)cs1 Amb26555528 [0,2,0,0,0,0|2,0,0]=4 5170 B9R1.21 CNc1ncc(CO)s1 Amb25266898 [0,2,0,0,0,0|1,1,0]=4 5171 B9R1.21 COc1cc(CBr)on1 Amb24331429 [0,2,0,0,0,0|2,0,0]=4 5172 B9R1.21 COc1cc(CCl)on1 Amb25188912 [0,2,0,0,0,0|2,0,0]=4 5173 B9R1.21 COc1cc(CN)on1 Amb18642595 [0,2,0,0,0,0|2,0,0]=4 5174 B9R1.21 COc1cc(CN)on1 Amb32667208 [0,2,0,0,0,0|2,0,0]=4 5175 B9R1.21 COc1cc(CO)cs1 Amb27800819 [0,2,0,0,0,0|2,0,0]=4 5176 B9R1.21 COc1cc(CO)on1 Amb23571226 [0,2,0,0,0,0|1,0,0]=3 5177 B9R1.21 COc1cc(CO)sn1 Amb24598092 [0,2,0,0,0,0|1,1,0]=4 5178 B9R1.21 COc1cc(CS)on1 Amb32719897 [0,2,0,0,0,0|1,1,0]=4 5179 B9R1.21 COc1ccc(C#N)o1 Amb26981933 [0,2,0,0,0,0|1,0,1]=4 5180 B9R1.21 COc1ccc(C=O)o1 Amb18832781 [0,2,0,0,0,0|0,0,2]=4 5181 B9R1.21 COc1ccc(CBr)s1 Amb27956524 [0,2,0,0,0,0|1,1,0]=4 5182 B9R1.21 COc1ccc(CN)s1 Amb27187903 [0,2,0,0,0,0|1,1,0]=4 5183 B9R1.21 COc1ccc(CS)o1 Amb27867382 [0,2,0,0,0,0|0,1,0]=3 5184 B9R1.21 COc1ccc(OC)o1 Amb22295890 [0,2,0,0,0,0|2,0,0]=4 5185 B9R1.21 COc1coc(C=O)c1 Amb18832782 [0,2,0,0,0,0|0,0,2]=4 5186 B9R1.21 COc1coc(CS)c1 Amb24402337 [0,2,0,0,0,0|0,1,0]=3 5187 B9R1.21 COc1csc(CCl)c1 Amb27762830 [0,2,0,0,0,0|1,1,0]=4 5188 B9R1.21 COc1csc(CN)c1 Amb23450213 [0,2,0,0,0,0|1,1,0]=4 5189 B9R1.21 COc1csc(CO)c1 Amb23450202 [0,2,0,0,0,0|0,1,0]=3 5190 B9R1.21 COc1ncc(CO)s1 Amb2592103 [0,2,0,0,0,0|1,1,0]=4 5191 B9R1.21 CSc1cc(CN)on1 Amb27863439 [0,2,0,0,0,0|2,0,0]=4 5192 B9R1.21 CSc1ccc(C=O)o1 Amb18643872 [0,2,0,0,0,0|0,0,2]=4 5193 B9R1.21 CSc1ccc(CBr)s1 Amb27393588 [0,2,0,0,0,0|1,1,0]=4 5194 B9R1.21 CSc1ccc(CCl)s1 Amb28046800 [0,2,0,0,0,0|1,1,0]=4 5195 B9R1.21 CSc1ccc(CN)o1 Amb18908342 [0,2,0,0,0,0|1,0,0]=3 5196 B9R1.21 CSc1ccc(CN)o1 Amb31156141 [0,2,0,0,0,0|1,0,0]=3 5197 B9R1.21 CSc1ccc(CN)s1 Amb31156506 [0,2,0,0,0,0|1,1,0]=4 5198 B9R1.21 CSc1ccc(CN)s1 Amb7801185 [0,2,0,0,0,0|1,1,0]=4 5199 B9R1.21 CSc1ccc(CO)s1 Amb24364786 [0,2,0,0,0,0|0,1,0]=3 5200 B9R1.21 CSc1nc(CO)cs1 Amb27966117 [0,2,0,0,0,0|2,0,0]=4 5201 B9R1.21 CSc1ncc(CO)s1 Amb27842227 [0,2,0,0,0,0|1,1,0]=4 5202 B9R1.21 CSc1nnc(CO)o1 Amb20248838 [0,2,0,0,0,0|2,0,0]=4 5203 B9R1.21 ClCc1cc(CCl)on1 Amb25945259 [0,2,0,0,0,0|2,0,0]=4 5204 B9R1.21 ClCc1ccc(CCl)s1 Amb22235042 [0,2,0,0,0,0|1,1,0]=4 5205 B9R1.21 ClCc1ncc(CBr)o1 Amb27206120 [0,2,0,0,0,0|2,0,0]=4 5206 B9R1.21 N#Cc1cc(C=O)co1 Amb18833001 [0,2,0,0,0,0|1,0,1]=4 5207 B9R1.21 N#Cc1cc(CO)cs1 Amb25265950 [0,2,0,0,0,0|2,0,0]=4 5208 B9R1.21 N#Cc1ccc(C#N)o1 Amb22734014 [0,2,0,0,0,0|1,0,1]=4 5209 B9R1.21 N#Cc1ccc(C=O)o1 Amb18124285 [0,2,0,0,0,0|0,0,2]=4 5210 B9R1.21 N#Cc1ccc(CBr)o1 Amb4136328 [0,2,0,0,0,0|1,0,0]=3 5211 B9R1.21 N#Cc1ccc(CBr)s1 Amb9175062 [0,2,0,0,0,0|1,1,0]=4 5212 B9R1.21 N#Cc1ccc(CCl)o1 Amb18643781 [0,2,0,0,0,0|1,0,0]=3 5213 B9R1.21 N#Cc1ccc(CCl)s1 Amb25830479 [0,2,0,0,0,0|1,1,0]=4 5214 B9R1.21 N#Cc1ccc(CN)o1 Amb18251086 [0,2,0,0,0,0|1,0,0]=3 5215 B9R1.21 N#Cc1ccc(CN)o1 Amb20241075 [0,2,0,0,0,0|1,0,0]=3 5216 B9R1.21 N#Cc1ccc(CN)s1 Amb17506858 [0,2,0,0,0,0|1,1,0]=4 5217 B9R1.21 N#Cc1ccc(CN)s1 Amb22233811 [0,2,0,0,0,0|1,1,0]=4 5218 B9R1.21 N#Cc1ccc(CO)o1 Amb18642081 [0,2,0,0,0,0|0,0,0]=2 5219 B9R1.21 N#Cc1ccc(CO)s1 Amb22233914 [0,2,0,0,0,0|0,1,0]=3 5220 B9R1.21 N#Cc1ccc(CS)o1 Amb28292744 [0,2,0,0,0,0|0,1,0]=3 5221 B9R1.21 N#Cc1ccc(CS)s1 Amb32788266 [0,2,0,0,0,0|0,2,0]=4 5222 B9R1.21 N#Cc1ccn(CO)c1 Amb27243879 [0,2,0,0,0,0|2,0,0]=4 5223 B9R1.21 N#Cc1ccn(CO)n1 Amb22494065 [0,2,0,0,0,0|2,0,0]=4 5224 B9R1.21 N#Cc1cnn(CO)c1 Amb24698622 [0,2,0,0,0,0|2,0,0]=4 5225 B9R1.21 N#Cc1coc(C=O)c1 Amb18833002 [0,2,0,0,0,0|0,0,2]=4 5226 B9R1.21 N#Cc1coc(CCl)c1 Amb18124601 [0,2,0,0,0,0|1,0,0]=3 5227 B9R1.21 N#Cc1coc(CN)c1 Amb20241197 [0,2,0,0,0,0|1,0,0]=3 5228 B9R1.21 N#Cc1coc(CS)c1 Amb28041389 [0,2,0,0,0,0|0,1,0]=3 5229 B9R1.21 N#Cc1csc(CBr)c1 Amb24629118 [0,2,0,0,0,0|1,1,0]=4 5230 B9R1.21 N#Cc1csc(CCl)c1 Amb18644976 [0,2,0,0,0,0|1,1,0]=4 5231 B9R1.21 N#Cc1csc(CN)c1 Amb20241199 [0,2,0,0,0,0|1,1,0]=4 5232 B9R1.21 N#Cc1csc(CO)c1 Amb18643426 [0,2,0,0,0,0|0,1,0]=3 5233 B9R1.21 N#Cc1csc(CS)c1 Amb32788831 [0,2,0,0,0,0|0,2,0]=4 5234 B9R1.21 N#Cc1ncc(CBr)o1 Amb27261775 [0,2,0,0,0,0|2,0,0]=4 5235 B9R1.21 NCc1cc(CCl)no1 Amb33483999 [0,2,0,0,0,0|2,0,0]=4 5236 B9R1.21 NCc1cc(CCl)no1 Amb33484000 [0,2,0,0,0,0|2,0,0]=4 5237 B9R1.21 NCc1cc(CO)cs1 Amb18202473 [0,2,0,0,0,0|1,1,0]=4 5238 B9R1.21 NCc1cc(CO)no1 Amb28289573 [0,2,0,0,0,0|2,0,0]=4 5239 B9R1.21 NCc1ccc(CN)o1 Amb17609504 [0,2,0,0,0,0|1,0,0]=3 5240 B9R1.21 NCc1ccc(CN)s1 Amb24545865 [0,2,0,0,0,0|1,1,0]=4 5241 B9R1.21 NCc1ccc(CO)o1 Amb33544862 [0,2,0,0,0,0|0,0,0]=2 5242 B9R1.21 NCc1ccc(CO)s1 Amb28061863 [0,2,0,0,0,0|0,1,0]=3 5243 B9R1.21 NCc1csc(CO)c1 Amb18202474 [0,2,0,0,0,0|0,1,0]=3 5244 B9R1.21 NCc1nc(CO)cs1 Amb18908383 [0,2,0,0,0,0|2,0,0]=4 5245 B9R1.21 NCc1nc(CO)cs1 Amb24271112 [0,2,0,0,0,0|2,0,0]=4 5246 B9R1.21 NCc1ncc(CO)s1 Amb27218504 [0,2,0,0,0,0|1,1,0]=4 5247 B9R1.21 NNc1ncc(CO)s1 Amb27800006 [0,2,0,0,0,0|1,1,0]=4 5248 B9R1.21 O=CC1=CC=C(CO)C1 Amb28342387 [0,2,0,0,0,0|1,0,0]=3 5249 B9R1.21 O=Cc1cc(CO)cs1 Amb27658843 [0,2,0,0,0,0|2,0,0]=4 5250 B9R1.21 O=Cc1ccc(C=O)o1 Amb8388343 [0,2,0,0,0,0|0,0,2]=4 5251 B9R1.21 O=Cc1ccc(CCl)o1 Amb6888398 [0,2,0,0,0,0|1,0,0]=3 5252 B9R1.21 O=Cc1ccc(CO)o1 Amb2715062 [0,2,0,0,0,0|0,0,0]=2 5253 B9R1.21 O=Cc1ccc(CO)s1 Amb18643874 [0,2,0,0,0,0|0,1,0]=3 5254 B9R1.21 O=Cc1coc(C=O)c1 Amb22170483 [0,2,0,0,0,0|0,0,2]=4 5255 B9R1.21 O=Cc1csc(CO)n1 Amb8011549 [0,2,0,0,0,0|1,1,0]=4 5256 B9R1.21 O=Cc1nc(CO)cs1 Amb25684695 [0,2,0,0,0,0|2,0,0]=4 5257 B9R1.21 OC[C@@H]1C=C[C@@H](CO)O1 Amb27652847 [0,2,0,0,0,0|0,0,2]=4 5258 B9R1.21 OCc1ccc(CCl)o1 Amb27393617 [0,2,0,0,0,0|0,0,0]=2 5259 B9R1.21 OCc1ccc(CO)o1 Amb5494053 [0,2,0,0,0,0|0,0,0]=2 5260 B9R1.21 OCc1ccc(CO)s1 Amb22387630 [0,2,0,0,0,0|0,1,0]=3 5261 B9R1.21 OCc1ccc(CS)o1 Amb27480598 [0,2,0,0,0,0|0,0,0]=2 5262 B9R1.21 OCc1cnc(CBr)s1 Amb27174354 [0,2,0,0,0,0|1,1,0]=4 5263 B9R1.21 OCc1cnc(CCl)o1 Amb32685848 [0,2,0,0,0,0|1,0,0]=3 5264 B9R1.21 OCc1coc(CO)c1 Amb20248338 [0,2,0,0,0,0|0,0,0]=2 5265 B9R1.21 OCc1coc(CO)n1 Amb23590972 [0,2,0,0,0,0|1,0,0]=3 5266 B9R1.21 OCc1csc(CO)n1 Amb25074137 [0,2,0,0,0,0|1,1,0]=4 5267 B9R1.21 OCc1csc(CS)n1 Amb32788381 [0,2,0,0,0,0|2,0,0]=4 5268 B9R1.21 O\N=C1\C=C\C(=N/O)N1 Amb27195915 [0,2,0,0,0,0|2,0,0]=4 5269 B9R1.22 C#Cc1oc(Br)cc1C Amb33450751 [0,2,0,0,0,0|1,0,1]=4 5270 B9R1.22 C=Cc1oc(Br)cc1C Amb33450851 [0,2,0,0,0,0|1,0,1]=4 5271 B9R1.22 CC1=C(CBr)OC(=O)O1 Amb19894710 [0,2,0,0,0,0|2,0,0]=4 5272 B9R1.22 CC1=C(CCl)OC(=O)O1 Amb19957854 [0,2,0,0,0,0|2,0,0]=4 5273 B9R1.22 CC1=C(CI)OC(=O)O1 Amb35752599 [0,2,0,0,0,0|2,0,0]=4 5274 B9R1.22 CC1=C(CN)OC(=O)O1 Amb33456082 [0,2,0,0,0,0|2,0,0]=4 5275 B9R1.22 CC1=C(CN)OC(=O)O1 Amb33482751 [0,2,0,0,0,0|2,0,0]=4 5276 B9R1.22 CC1=C(CO)OC(=O)O1 Amb21962117 [0,2,0,0,0,0|1,0,0]=3 5277 B9R1.22 CC1=C(CO)OC(=S)O1 Amb27221244 [0,2,0,0,0,0|1,0,0]=3 5278 B9R1.22 CC1=C(CS)OC(=O)O1 Amb32650870 [0,2,0,0,0,0|1,1,0]=4 5279 B9R1.22 CC1=CC(=O)O[C@H]1CO Amb27399693 [0,2,0,0,0,0|0,0,1]=3 5280 B9R1.22 CCN1OC(C)=CC1=O Amb28049290 [0,2,0,0,0,0|2,0,0]=4 5281 B9R1.22 CCc1oc(Br)nc1C Amb27812219 [0,2,0,0,0,0|2,0,0]=4 5282 B9R1.22 CCc1oc(C)nc1C Amb27593942 [0,2,0,0,0,0|2,0,0]=4 5283 B9R1.22 CCc1oc(N)cc1C Amb18832815 [0,2,0,0,0,0|1,0,0]=3 5284 B9R1.22 CCc1oc(S)nc1C Amb28285200 [0,2,0,0,0,0|2,0,0]=4 5285 B9R1.22 CCc1sc(N)cc1Br Amb18140453 [0,2,0,0,0,0|1,1,0]=4 5286 B9R1.22 CCc1sc(N)cc1C Amb18143528 [0,2,0,0,0,0|1,1,0]=4 5287 B9R1.22 C\C=C1\OC(=O)C=C1N Amb28059814 [0,2,0,0,0,0|1,0,1]=4 5288 B9R1.22 Cc1cc(Br)c(C=O)o1 Amb18190707 [0,2,0,0,0,0|0,0,2]=4 5289 B9R1.22 Cc1cc(Br)c(CCl)s1 Amb27954553 [0,2,0,0,0,0|1,1,0]=4 5290 B9R1.22 Cc1cc(Br)c(CN)s1 Amb24379485 [0,2,0,0,0,0|1,1,0]=4 5291 B9R1.22 Cc1cc(Br)c(CN)s1 Amb32664887 [0,2,0,0,0,0|1,1,0]=4 5292 B9R1.22 Cc1cc(Br)c(CS)s1 Amb32788700 [0,2,0,0,0,0|0,2,0]=4 5293 B9R1.22 Cc1cc(Br)oc1C=O Amb33732295 [0,2,0,0,0,0|0,0,2]=4 5294 B9R1.22 Cc1cc(Br)oc1CBr Amb33450693 [0,2,0,0,0,0|1,0,0]=3 5295 B9R1.22 Cc1cc(Br)oc1CCl Amb33450657 [0,2,0,0,0,0|1,0,0]=3 5296 B9R1.22 Cc1cc(Br)oc1CN Amb18253037 [0,2,0,0,0,0|1,0,0]=3 5297 B9R1.22 Cc1cc(Br)oc1CO Amb27180451 [0,2,0,0,0,0|0,0,0]=2 5298 B9R1.22 Cc1cc(Br)oc1CS Amb33387587 [0,2,0,0,0,0|0,1,0]=3 5299 B9R1.22 Cc1cc(C)c(CBr)s1 Amb27173039 [0,2,0,0,0,0|1,1,0]=4 5300 B9R1.22 Cc1cc(C)c(CCl)s1 Amb27838479 [0,2,0,0,0,0|1,1,0]=4 5301 B9R1.22 Cc1cc(C)c(CN)s1 Amb27838480 [0,2,0,0,0,0|1,1,0]=4 5302 B9R1.22 Cc1cc(C)c(CS)s1 Amb32788247 [0,2,0,0,0,0|0,2,0]=4 5303 B9R1.22 Cc1cc(C)n(CO)c1 Amb28315498 [0,2,0,0,0,0|2,0,0]=4 5304 B9R1.22 Cc1cc(C)n(CO)n1 Amb535403 [0,2,0,0,0,0|2,0,0]=4 5305 B9R1.22 Cc1cc(CO)c(Br)o1 Amb27428221 [0,2,0,0,0,0|2,0,0]=4 5306 B9R1.22 Cc1cc(CO)c(C)o1 Amb9004306 [0,2,0,0,0,0|2,0,0]=4 5307 B9R1.22 Cc1cc(CO)c(C)s1 Amb8846380 [0,2,0,0,0,0|2,0,0]=4 5308 B9R1.22 Cc1cc(CO)n(C)n1 Amb2723188 [0,2,0,0,0,0|2,0,0]=4 5309 B9R1.22 Cc1cc(Cl)c(C=O)o1 Amb18202379 [0,2,0,0,0,0|0,0,2]=4 5310 B9R1.22 Cc1cc(Cl)c(CN)s1 Amb27636104 [0,2,0,0,0,0|1,1,0]=4 5311 B9R1.22 Cc1cc(F)c(CCl)s1 Amb27433621 [0,2,0,0,0,0|1,1,0]=4 5312 B9R1.22 Cc1cc(F)c(CN)s1 Amb27430387 [0,2,0,0,0,0|1,1,0]=4 5313 B9R1.22 Cc1cc(I)oc1CN Amb26641183 [0,2,0,0,0,0|1,0,0]=3 5314 B9R1.22 Cc1cc(N)c(C=O)o1 Amb18832843 [0,2,0,0,0,0|0,0,2]=4 5315 B9R1.22 Cc1cc(N)c(CCl)s1 Amb28184506 [0,2,0,0,0,0|1,1,0]=4 5316 B9R1.22 Cc1cn(C)c(CO)n1 Amb24269254 [0,2,0,0,0,0|2,0,0]=4 5317 B9R1.22 Cc1cn(C)cc1CO Amb32698558 [0,2,0,0,0,0|2,0,0]=4 5318 B9R1.22 Cc1cn(C)nc1CO Amb24502186 [0,2,0,0,0,0|2,0,0]=4 5319 B9R1.22 Cc1nc(Br)oc1CF Amb27421881 [0,2,0,0,0,0|2,0,0]=4 5320 B9R1.22 Cc1nc(Br)sc1CO Amb27838600 [0,2,0,0,0,0|1,1,0]=4 5321 B9R1.22 Cc1nc(C)c(CCl)o1 Amb22235325 [0,2,0,0,0,0|2,0,0]=4 5322 B9R1.22 Cc1nc(C)c(CN)o1 Amb18251097 [0,2,0,0,0,0|2,0,0]=4 5323 B9R1.22 Cc1nc(C)c(CN)o1 Amb30867991 [0,2,0,0,0,0|2,0,0]=4 5324 B9R1.22 Cc1nc(C)c(CN)o1 Amb32664200 [0,2,0,0,0,0|2,0,0]=4 5325 B9R1.22 Cc1nc(C)c(CO)o1 Amb10608521 [0,2,0,0,0,0|1,0,0]=3 5326 B9R1.22 Cc1nc(C)c(CO)s1 Amb2723088 [0,2,0,0,0,0|1,1,0]=4 5327 B9R1.22 Cc1nc(CO)c(Br)s1 Amb24481932 [0,2,0,0,0,0|2,0,0]=4 5328 B9R1.22 Cc1nc(CO)c(C)o1 Amb2723403 [0,2,0,0,0,0|2,0,0]=4 5329 B9R1.22 Cc1nc(CO)c(C)s1 Amb23438059 [0,2,0,0,0,0|2,0,0]=4 5330 B9R1.22 Cc1nc(Cl)sc1CO Amb19649017 [0,2,0,0,0,0|1,1,0]=4 5331 B9R1.22 Cc1nc(O)oc1CF Amb27848265 [0,2,0,0,0,0|2,0,0]=4 5332 B9R1.22 Cc1oc(=O)oc1CO Amb22270084 [0,2,0,0,0,0|1,0,0]=3 5333 B9R1.22 Cc1oc(Br)cc1CO Amb27805528 [0,2,0,0,0,0|2,0,0]=4 5334 B9R1.22 Cc1oc(N)nc1CO Amb27421556 [0,2,0,0,0,0|2,0,0]=4 5335 B9R1.22 Cc1sc(Br)cc1CO Amb28255674 [0,2,0,0,0,0|2,0,0]=4 5336 B9R1.22 Cc1sc(Br)nc1CO Amb22500774 [0,2,0,0,0,0|2,0,0]=4 5337 B9R1.22 Cc1sc(Cl)nc1CO Amb22500779 [0,2,0,0,0,0|2,0,0]=4 5338 B9R1.22 Cc1sc(N)nc1CO Amb22500860 [0,2,0,0,0,0|2,0,0]=4 5339 B9R1.22 Cn1cc(Br)c(CO)n1 Amb6572333 [0,2,0,0,0,0|2,0,0]=4 5340 B9R1.22 Cn1cc(Br)cc1CN Amb18253004 [0,2,0,0,0,0|2,0,0]=4 5341 B9R1.22 Cn1cc(Br)cc1CN Amb35788172 [0,2,0,0,0,0|2,0,0]=4 5342 B9R1.22 Cn1cc(Br)nc1CO Amb27406876 [0,2,0,0,0,0|2,0,0]=4 5343 B9R1.22 Cn1cc(Cl)c(CO)n1 Amb20619732 [0,2,0,0,0,0|2,0,0]=4 5344 B9R1.22 Cn1cc(Cl)cc1CN Amb18251280 [0,2,0,0,0,0|2,0,0]=4 5345 B9R1.22 Cn1cc(I)c(CO)n1 Amb27878874 [0,2,0,0,0,0|2,0,0]=4 5346 B9R1.22 Cn1nc(Br)cc1CO Amb25267921 [0,2,0,0,0,0|2,0,0]=4 5347 B9R1.22 Cn1nc(I)cc1CO Amb33621384 [0,2,0,0,0,0|2,0,0]=4 5348 B9R1.22 Cn1nc(N)cc1CO Amb20619775 [0,2,0,0,0,0|2,0,0]=4 5349 B9R1.22 Fc1cc(Br)sc1CCl Amb28399548 [0,2,0,0,0,0|1,1,0]=4 5350 B9R1.22 N#Cc1oc(Br)cc1N Amb27224264 [0,2,0,0,0,0|1,0,1]=4 5351 B9R1.22 NCc1sc(Br)cc1Br Amb33006531 [0,2,0,0,0,0|1,1,0]=4 5352 B9R1.22 Nc1cc(Br)sc1CBr Amb28369778 [0,2,0,0,0,0|1,1,0]=4 5353 B9R1.22 Nc1cc(Br)sc1CCl Amb28252599 [0,2,0,0,0,0|1,1,0]=4 5354 B9R1.22 Nc1cc(Cl)sc1CBr Amb28059252 [0,2,0,0,0,0|1,1,0]=4 5355 B9R1.22 Nn1c[n+](N)cc1CO Amb27652135 [0,2,0,0,0,0|2,0,0]=4 5356 B9R1.22 O=C1C=C(Cl)\C(=C/Cl)O1 Amb25210550 [0,2,0,0,0,0|1,0,1]=4 5357 B9R1.22 OCc1cc(Br)sc1Br Amb22498112 [0,2,0,0,0,0|2,0,0]=4 5358 B9R1.22 OCc1cc(Cl)sc1Br Amb26619630 [0,2,0,0,0,0|2,0,0]=4 5359 B9R1.22 OCc1cc(Cl)sc1Cl Amb25742638 [0,2,0,0,0,0|2,0,0]=4 5360 B9R1.22 OCc1nc(Br)sc1Br Amb2455945 [0,2,0,0,0,0|2,0,0]=4 5361 B9R1.22 OCc1nc(Cl)sc1Cl Amb22495231 [0,2,0,0,0,0|2,0,0]=4 5362 B9R1.22 OCc1sc(Br)cc1Br Amb33006819 [0,2,0,0,0,0|0,1,0]=3 5363 B9R1.22 OCc1sc(Br)nc1Br Amb10602532 [0,2,0,0,0,0|1,1,0]=4 5364 B9R1.22 OCc1sc(Cl)nc1Cl Amb10602534 [0,2,0,0,0,0|1,1,0]=4 5365 B9R1.22 SCc1sc(Br)cc1Br Amb33005233 [0,2,0,0,0,0|0,2,0]=4 5366 B9R1.23 BrCc1cc(Br)c(Br)o1 Amb27759490 [0,2,0,0,0,0|1,0,0]=3 5367 B9R1.23 C#Cc1cc(Br)c(Br)o1 Amb25104410 [0,2,0,0,0,0|1,0,1]=4 5368 B9R1.23 C#Cc1cc(C)c(C)o1 Amb28341299 [0,2,0,0,0,0|1,0,1]=4 5369 B9R1.23 C=C1C[C@@H](CO)OC1=O Amb33716106 [0,2,0,0,0,0|0,0,2]=4 5370 B9R1.23 C=Cc1cc(Br)c(Br)o1 Amb25340894 [0,2,0,0,0,0|1,0,1]=4 5371 B9R1.23 CC1=C\C(=C/Br)OC1=O Amb32415013 [0,2,0,0,0,0|1,0,1]=4 5372 B9R1.23 CC1=C\C(=C\Br)OC1=O Amb27620503 [0,2,0,0,0,0|1,0,1]=4 5373 B9R1.23 CCc1cc(Br)c(N)s1 Amb18176525 [0,2,0,0,0,0|1,1,0]=4 5374 B9R1.23 CCc1cc(C)c(C)o1 Amb27264803 [0,2,0,0,0,0|1,0,0]=3 5375 B9R1.23 CCc1cc(S)c(C)o1 Amb27240758 [0,2,0,0,0,0|1,0,0]=3 5376 B9R1.23 CN1C=C(CO)SC1=O Amb24312656 [0,2,0,0,0,0|1,1,0]=4 5377 B9R1.23 CN1NC(CO)=CC1=N Amb27410121 [0,2,0,0,0,0|2,0,0]=4 5378 B9R1.23 CN1OC(CN)=CC1=O Amb25989936 [0,2,0,0,0,0|2,0,0]=4 5379 B9R1.23 CNc1cc(C)c(C)o1 Amb27265811 [0,2,0,0,0,0|2,0,0]=4 5380 B9R1.23 Cc1cc(C#N)oc1Br Amb33483184 [0,2,0,0,0,0|1,0,1]=4 5381 B9R1.23 Cc1cc(C#N)oc1C Amb28341880 [0,2,0,0,0,0|1,0,1]=4 5382 B9R1.23 Cc1cc(C=O)oc1Br Amb18187323 [0,2,0,0,0,0|0,0,2]=4 5383 B9R1.23 Cc1cc(C=O)oc1C Amb2722737 [0,2,0,0,0,0|0,0,2]=4 5384 B9R1.23 Cc1cc(C=O)oc1N Amb18832858 [0,2,0,0,0,0|0,0,2]=4 5385 B9R1.23 Cc1cc(CN)sc1Br Amb27838593 [0,2,0,0,0,0|1,1,0]=4 5386 B9R1.23 Cc1cc(CN)sc1C Amb18118450 [0,2,0,0,0,0|1,1,0]=4 5387 B9R1.23 Cc1cc(CN)sc1C Amb19335293 [0,2,0,0,0,0|1,1,0]=4 5388 B9R1.23 Cc1cc(CO)nn1C Amb17913658 [0,2,0,0,0,0|2,0,0]=4 5389 B9R1.23 Cc1cc(CO)oc1C Amb26425662 [0,2,0,0,0,0|0,0,0]=2 5390 B9R1.23 Cc1cc(CO)sc1C Amb27228093 [0,2,0,0,0,0|0,1,0]=3 5391 B9R1.23 Cc1cn(CO)nc1C Amb27633674 [0,2,0,0,0,0|2,0,0]=4 5392 B9R1.23 Cc1nc(CBr)oc1C Amb24340169 [0,2,0,0,0,0|2,0,0]=4 5393 B9R1.23 Cc1nc(CCl)oc1C Amb10609632 [0,2,0,0,0,0|2,0,0]=4 5394 B9R1.23 Cc1nc(CN)oc1C Amb10609816 [0,2,0,0,0,0|2,0,0]=4 5395 B9R1.23 Cc1nc(CN)oc1C Amb32675052 [0,2,0,0,0,0|2,0,0]=4 5396 B9R1.23 Cc1nc(CO)cn1C Amb27841607 [0,2,0,0,0,0|2,0,0]=4 5397 B9R1.23 Cc1nc(CO)oc1C Amb20667780 [0,2,0,0,0,0|1,0,0]=3 5398 B9R1.23 Cc1nc(CO)sc1Br Amb24478774 [0,2,0,0,0,0|1,1,0]=4 5399 B9R1.23 Cc1nc(CO)sc1C Amb10608242 [0,2,0,0,0,0|1,1,0]=4 5400 B9R1.23 Cc1nc(CO)sc1C Amb22587195 [0,2,0,0,0,0|1,1,0]=4 5401 B9R1.23 Cc1nc(CS)oc1C Amb32875207 [0,2,0,0,0,0|1,1,0]=4 5402 B9R1.23 Cc1oc(C#N)cc1Br Amb23537727 [0,2,0,0,0,0|1,0,1]=4 5403 B9R1.23 Cc1oc(C=O)cc1Br Amb18129294 [0,2,0,0,0,0|0,0,2]=4 5404 B9R1.23 Cc1oc(C=O)cc1F Amb18832650 [0,2,0,0,0,0|0,0,2]=4 5405 B9R1.23 Cc1oc(C=O)cc1N Amb18832845 [0,2,0,0,0,0|0,0,2]=4 5406 B9R1.23 Cc1oc(CCl)cc1Br Amb28351465 [0,2,0,0,0,0|1,0,0]=3 5407 B9R1.23 Cc1oc(CN)cc1Br Amb23537726 [0,2,0,0,0,0|1,0,0]=3 5408 B9R1.23 Cc1oc(CN)cc1N Amb18832726 [0,2,0,0,0,0|1,0,0]=3 5409 B9R1.23 Cc1oc(CO)nc1Br Amb28124521 [0,2,0,0,0,0|1,0,0]=3 5410 B9R1.23 Cc1sc(CBr)cc1Br Amb27250012 [0,2,0,0,0,0|1,1,0]=4 5411 B9R1.23 Cc1sc(CCl)cc1Br Amb24432950 [0,2,0,0,0,0|1,1,0]=4 5412 B9R1.23 Cc1sc(CN)cc1Br Amb23589259 [0,2,0,0,0,0|1,1,0]=4 5413 B9R1.23 Cc1sc(CN)cc1Cl Amb27229259 [0,2,0,0,0,0|1,1,0]=4 5414 B9R1.23 Cc1sc(CO)cc1Br Amb25100585 [0,2,0,0,0,0|0,1,0]=3 5415 B9R1.23 Cc1sc(CS)cc1Br Amb32788288 [0,2,0,0,0,0|0,2,0]=4 5416 B9R1.23 ClCc1cc(Br)c(Br)o1 Amb25082917 [0,2,0,0,0,0|1,0,0]=3 5417 B9R1.23 ClCc1cc(Br)c(Cl)s1 Amb26623901 [0,2,0,0,0,0|1,1,0]=4 5418 B9R1.23 ClCc1cc(Cl)c(Br)s1 Amb28207503 [0,2,0,0,0,0|1,1,0]=4 5419 B9R1.23 Cn1cc(CO)nc1Br Amb35596865 [0,2,0,0,0,0|2,0,0]=4 5420 B9R1.23 Cn1cc(CO)nc1S Amb21927944 [0,2,0,0,0,0|2,0,0]=4 5421 B9R1.23 Cn1nc(CO)cc1Br Amb25950687 [0,2,0,0,0,0|2,0,0]=4 5422 B9R1.23 Cn1nc(CO)cc1F Amb32658071 [0,2,0,0,0,0|2,0,0]=4 5423 B9R1.23 Cn1nc(CO)cc1I Amb33621474 [0,2,0,0,0,0|2,0,0]=4 5424 B9R1.23 Cn1nc(CO)cc1N Amb22803050 [0,2,0,0,0,0|2,0,0]=4 5425 B9R1.23 Cn1nc(CO)cc1N Amb24269046 [0,2,0,0,0,0|2,0,0]=4 5426 B9R1.23 N#Cc1cc(Br)c(Br)o1 Amb23537581 [0,2,0,0,0,0|1,0,1]=4 5427 B9R1.23 N#Cc1cc(Br)c(Cl)o1 Amb23539105 [0,2,0,0,0,0|1,0,1]=4 5428 B9R1.23 N#Cc1cc(Cl)c(Cl)o1 Amb23538069 [0,2,0,0,0,0|1,0,1]=4 5429 B9R1.23 NCc1cc(Br)c(Br)o1 Amb23535608 [0,2,0,0,0,0|1,0,0]=3 5430 B9R1.23 NCc1cc(Br)c(Cl)s1 Amb25889577 [0,2,0,0,0,0|1,1,0]=4 5431 B9R1.23 Nc1cc(C=O)oc1Br Amb18189507 [0,2,0,0,0,0|0,0,2]=4 5432 B9R1.23 O=C1OC(CO)C=C1Cl Amb27466585 [0,2,0,0,0,0|0,0,1]=3 5433 B9R1.23 O=C1OC(CO)C=C1O Amb27603990 [0,2,0,0,0,0|0,0,1]=3 5434 B9R1.23 O=C1O[C@H](CO)C=C1O Amb28046806 [0,2,0,0,0,0|0,0,1]=3 5435 B9R1.23 O=Cc1cc(Br)c(Br)o1 Amb1799053 [0,2,0,0,0,0|0,0,2]=4 5436 B9R1.23 O=Cc1cc(Br)c(Cl)o1 Amb18131113 [0,2,0,0,0,0|0,0,2]=4 5437 B9R1.23 O=Cc1cc(Br)c(I)o1 Amb3604338 [0,2,0,0,0,0|0,0,2]=4 5438 B9R1.23 OCc1cc(Br)c(Br)o1 Amb837298 [0,2,0,0,0,0|0,0,0]=2 5439 B9R1.23 OCc1cc(Br)c(Br)s1 Amb26420981 [0,2,0,0,0,0|0,1,0]=3 5440 B9R1.23 OCc1cc(Br)c(Cl)o1 Amb23539104 [0,2,0,0,0,0|0,0,0]=2 5441 B9R1.23 OCc1cc(Br)c(Cl)s1 Amb26475896 [0,2,0,0,0,0|0,1,0]=3 5442 B9R1.23 OCc1cc(Br)c(F)s1 Amb27209544 [0,2,0,0,0,0|0,1,0]=3 5443 B9R1.23 OCc1cc(Cl)c(Cl)s1 Amb23560505 [0,2,0,0,0,0|0,1,0]=3 5444 B9R1.23 OCc1cc(F)c(F)s1 Amb27635997 [0,2,0,0,0,0|0,1,0]=3 5445 B9R1.23 OCc1nc(Br)c(Br)s1 Amb26907629 [0,2,0,0,0,0|1,1,0]=4 5446 B9R1.23 OCc1nc(Cl)c(Cl)s1 Amb27628321 [0,2,0,0,0,0|1,1,0]=4 5447 B9R1.23 SCc1cc(Br)c(Br)o1 Amb32788431 [0,2,0,0,0,0|0,1,0]=3 5448 B9R1.23 SCc1cc(Br)c(Br)s1 Amb32788703 [0,2,0,0,0,0|0,2,0]=4 5449 B9R1.23 SCc1cc(Br)c(Cl)s1 Amb32788663 [0,2,0,0,0,0|0,2,0]=4 5450 B9R1.35 CC(=O)c1ccc(Br)o1 Amb18678443 [0,2,0,0,0,0|0,0,2]=4 5451 B9R1.35 CC(=O)c1ccc(C)o1 Amb1154368 [0,2,0,0,0,0|0,0,2]=4 5452 B9R1.35 CC(=O)c1ccc(N)o1 Amb18642262 [0,2,0,0,0,0|0,0,2]=4 5453 B9R1.35 CC(Br)c1ccc(Br)s1 Amb27837453 [0,2,0,0,0,0|1,1,0]=4 5454 B9R1.35 CC(C)C1=CC(=O)NO1 Amb25956301 [0,2,0,0,0,0|2,0,0]=4 5455 B9R1.35 CC(C)C1=CCC(=O)O1 Amb27462536 [0,2,0,0,0,0|1,0,1]=4 5456 B9R1.35 CC(C)c1cc(Br)cs1 Amb18783656 [0,2,0,0,0,0|1,1,0]=4 5457 B9R1.35 CC(C)c1cc(N)no1 Amb18642427 [0,2,0,0,0,0|2,0,0]=4 5458 B9R1.35 CC(C)c1ccc(Br)o1 Amb10600622 [0,2,0,0,0,0|1,0,0]=3 5459 B9R1.35 CC(C)c1ccc(Br)s1 Amb10600620 [0,2,0,0,0,0|1,1,0]=4 5460 B9R1.35 CC(C)c1ccc(I)s1 Amb27445990 [0,2,0,0,0,0|1,1,0]=4 5461 B9R1.35 CC(C)c1ccc(N)o1 Amb10600623 [0,2,0,0,0,0|1,0,0]=3 5462 B9R1.35 CC(C)c1ccc(N)s1 Amb10600621 [0,2,0,0,0,0|1,1,0]=4 5463 B9R1.35 CC(C)c1ccc(O)s1 Amb20617566 [0,2,0,0,0,0|1,1,0]=4 5464 B9R1.35 CC(C)c1cnc(Br)o1 Amb28205320 [0,2,0,0,0,0|2,0,0]=4 5465 B9R1.35 CC(C)c1cnc(Cl)o1 Amb25943703 [0,2,0,0,0,0|2,0,0]=4 5466 B9R1.35 CC(C)c1cnc(N)o1 Amb27413394 [0,2,0,0,0,0|2,0,0]=4 5467 B9R1.35 CC(C)c1ncc(Br)o1 Amb24368755 [0,2,0,0,0,0|2,0,0]=4 5468 B9R1.35 CC(C)c1ncc(N)o1 Amb18062956 [0,2,0,0,0,0|2,0,0]=4 5469 B9R1.35 CC(Cl)c1ccc(Br)s1 Amb27837455 [0,2,0,0,0,0|1,1,0]=4 5470 B9R1.35 CC(Cl)c1ccc(Cl)o1 Amb26397531 [0,2,0,0,0,0|1,0,0]=3 5471 B9R1.35 CC(Cl)c1ccc(Cl)s1 Amb18181045 [0,2,0,0,0,0|1,1,0]=4 5472 B9R1.35 CC(N)c1cc(Br)co1 Amb24746809 [0,2,0,0,0,0|1,0,0]=3 5473 B9R1.35 CC(N)c1cc(Br)cs1 Amb18244132 [0,2,0,0,0,0|1,1,0]=4 5474 B9R1.35 CC(N)c1cc(Br)no1 Amb26641951 [0,2,0,0,0,0|2,0,0]=4 5475 B9R1.35 CC(N)c1cc(Cl)cs1 Amb25185371 [0,2,0,0,0,0|1,1,0]=4 5476 B9R1.35 CC(N)c1cc(O)co1 Amb27759208 [0,2,0,0,0,0|1,0,0]=3 5477 B9R1.35 CC(N)c1ccc(Br)o1 Amb25867182 [0,2,0,0,0,0|1,0,0]=3 5478 B9R1.35 CC(N)c1ccc(Br)s1 Amb32666088 [0,2,0,0,0,0|1,1,0]=4 5479 B9R1.35 CC(N)c1ccc(Br)s1 Amb3788871 [0,2,0,0,0,0|1,1,0]=4 5480 B9R1.35 CC(N)c1ccc(Cl)o1 Amb28069189 [0,2,0,0,0,0|1,0,0]=3 5481 B9R1.35 CC(N)c1ccc(Cl)s1 Amb1107924 [0,2,0,0,0,0|1,1,0]=4 5482 B9R1.35 CC(N)c1ccc(Cl)s1 Amb32666018 [0,2,0,0,0,0|1,1,0]=4 5483 B9R1.35 CC(N)c1ccc(F)s1 Amb24054157 [0,2,0,0,0,0|1,1,0]=4 5484 B9R1.35 CC(N)c1ccc(F)s1 Amb27659311 [0,2,0,0,0,0|1,1,0]=4 5485 B9R1.35 CC(N)c1ccc(I)s1 Amb28456386 [0,2,0,0,0,0|1,1,0]=4 5486 B9R1.35 CC(N)c1ccc(O)s1 Amb27860172 [0,2,0,0,0,0|1,1,0]=4 5487 B9R1.35 CC(N)c1cnc(Cl)o1 Amb27225080 [0,2,0,0,0,0|2,0,0]=4 5488 B9R1.35 CC(O)C1=CC(=O)CC1 Amb28146470 [0,2,0,0,0,0|1,0,1]=4 5489 B9R1.35 CC(O)[C@H]1C=CC(=O)O1 Amb27632756 [0,2,0,0,0,0|0,0,1]=3 5490 B9R1.35 CC(O)c1cc(Br)co1 Amb27833658 [0,2,0,0,0,0|0,0,0]=2 5491 B9R1.35 CC(O)c1cc(Br)cs1 Amb26600035 [0,2,0,0,0,0|0,1,0]=3 5492 B9R1.35 CC(O)c1cc(Br)no1 Amb24478601 [0,2,0,0,0,0|1,0,0]=3 5493 B9R1.35 CC(O)c1ccc(Br)o1 Amb28049060 [0,2,0,0,0,0|0,0,0]=2 5494 B9R1.35 CC(O)c1ccc(Br)s1 Amb17194985 [0,2,0,0,0,0|0,1,0]=3 5495 B9R1.35 CC(O)c1ccc(Cl)o1 Amb24554790 [0,2,0,0,0,0|0,0,0]=2 5496 B9R1.35 CC(O)c1ccc(Cl)s1 Amb9704465 [0,2,0,0,0,0|0,1,0]=3 5497 B9R1.35 CC(O)c1ccc(F)s1 Amb19892826 [0,2,0,0,0,0|0,1,0]=3 5498 B9R1.35 CC(O)c1ccn(C)c1 Amb28122898 [0,2,0,0,0,0|2,0,0]=4 5499 B9R1.35 CC(O)c1ccn(C)n1 Amb10068438 [0,2,0,0,0,0|2,0,0]=4 5500 B9R1.35 CC(O)c1cn(C)cn1 Amb23439449 [0,2,0,0,0,0|2,0,0]=4 5501 B9R1.35 CC(O)c1cnc(Br)s1 Amb24690205 [0,2,0,0,0,0|1,1,0]=4 5502 B9R1.35 CC(O)c1cnc(N)s1 Amb18280271 [0,2,0,0,0,0|1,1,0]=4 5503 B9R1.35 CC(O)c1coc(Cl)n1 Amb27798879 [0,2,0,0,0,0|2,0,0]=4 5504 B9R1.35 CC(O)c1csc(Br)n1 Amb28285180 [0,2,0,0,0,0|2,0,0]=4 5505 B9R1.35 CC(O)c1csc(Cl)c1 Amb23440017 [0,2,0,0,0,0|2,0,0]=4 5506 B9R1.35 CC(O)c1csc(O)n1 Amb27835075 [0,2,0,0,0,0|2,0,0]=4 5507 B9R1.35 CC(O)c1nc(O)cs1 Amb35710099 [0,2,0,0,0,0|1,1,0]=4 5508 B9R1.35 CC(O)c1ncc(Br)s1 Amb27811828 [0,2,0,0,0,0|1,1,0]=4 5509 B9R1.35 CC(O)c1ncc(Cl)s1 Amb28061412 [0,2,0,0,0,0|1,1,0]=4 5510 B9R1.35 CC(O)c1ncc(I)s1 Amb27763322 [0,2,0,0,0,0|1,1,0]=4 5511 B9R1.35 CC(S)c1cc(Br)cs1 Amb24387948 [0,2,0,0,0,0|0,2,0]=4 5512 B9R1.35 CC(S)c1ccc(Br)o1 Amb26989930 [0,2,0,0,0,0|0,1,0]=3 5513 B9R1.35 CC(S)c1ccc(Br)s1 Amb27837425 [0,2,0,0,0,0|0,2,0]=4 5514 B9R1.35 CC(S)c1ccc(Cl)s1 Amb9297783 [0,2,0,0,0,0|0,2,0]=4 5515 B9R1.35 CN(C)c1ccc(Br)o1 Amb24317621 [0,2,0,0,0,0|2,0,0]=4 5516 B9R1.35 C[C@@H](N)C1=CC(=O)NO1 Amb18832644 [0,2,0,0,0,0|2,0,0]=4 5517 B9R1.35 C[C@@H](N)c1cc(Br)co1 Amb27413539 [0,2,0,0,0,0|1,0,0]=3 5518 B9R1.35 C[C@@H](N)c1cc(Br)cs1 Amb27487446 [0,2,0,0,0,0|1,1,0]=4 5519 B9R1.35 C[C@@H](N)c1cc(Br)cs1 Amb35789839 [0,2,0,0,0,0|1,1,0]=4 5520 B9R1.35 C[C@@H](N)c1cc(Br)no1 Amb32665232 [0,2,0,0,0,0|2,0,0]=4 5521 B9R1.35 C[C@@H](N)c1cc(Cl)cs1 Amb24436871 [0,2,0,0,0,0|1,1,0]=4 5522 B9R1.35 C[C@@H](N)c1cc(F)co1 Amb27782626 [0,2,0,0,0,0|1,0,0]=3 5523 B9R1.35 C[C@@H](N)c1cc(N)co1 Amb28131000 [0,2,0,0,0,0|1,0,0]=3 5524 B9R1.35 C[C@@H](N)c1cc(N)cs1 Amb27838433 [0,2,0,0,0,0|1,1,0]=4 5525 B9R1.35 C[C@@H](N)c1ccc(Br)o1 Amb27810660 [0,2,0,0,0,0|1,0,0]=3 5526 B9R1.35 C[C@@H](N)c1ccc(Br)s1 Amb33506250 [0,2,0,0,0,0|1,1,0]=4 5527 B9R1.35 C[C@@H](N)c1ccc(Cl)o1 Amb27473386 [0,2,0,0,0,0|1,0,0]=3 5528 B9R1.35 C[C@@H](N)c1ccc(Cl)s1 Amb13953002 [0,2,0,0,0,0|1,1,0]=4 5529 B9R1.35 C[C@@H](N)c1ccc(Cl)s1 Amb28934975 [0,2,0,0,0,0|1,1,0]=4 5530 B9R1.35 C[C@@H](N)c1ccc(I)s1 Amb27423837 [0,2,0,0,0,0|1,1,0]=4 5531 B9R1.35 C[C@@H](O)c1cc(Br)co1 Amb33431260 [0,2,0,0,0,0|0,0,0]=2 5532 B9R1.35 C[C@@H](O)c1cc(Br)cs1 Amb23439873 [0,2,0,0,0,0|0,1,0]=3 5533 B9R1.35 C[C@@H](O)c1cc(Cl)cs1 Amb33057548 [0,2,0,0,0,0|0,1,0]=3 5534 B9R1.35 C[C@@H](O)c1ccc(Br)o1 Amb26920850 [0,2,0,0,0,0|0,0,0]=2 5535 B9R1.35 C[C@@H](O)c1ccc(Br)s1 Amb13953003 [0,2,0,0,0,0|0,1,0]=3 5536 B9R1.35 C[C@@H](O)c1ccc(Cl)o1 Amb33258299 [0,2,0,0,0,0|0,0,0]=2 5537 B9R1.35 C[C@@H](O)c1ccc(Cl)s1 Amb13952999 [0,2,0,0,0,0|0,1,0]=3 5538 B9R1.35 C[C@@H](O)c1ccn(C)n1 Amb24691637 [0,2,0,0,0,0|2,0,0]=4 5539 B9R1.35 C[C@@H](O)c1cn(C)cn1 Amb33326141 [0,2,0,0,0,0|2,0,0]=4 5540 B9R1.35 C[C@@H](O)c1cnc(Cl)s1 Amb33220998 [0,2,0,0,0,0|1,1,0]=4 5541 B9R1.35 C[C@@H](O)c1csc(Br)c1 Amb33432821 [0,2,0,0,0,0|2,0,0]=4 5542 B9R1.35 C[C@@H](O)c1csc(Br)n1 Amb33334920 [0,2,0,0,0,0|2,0,0]=4 5543 B9R1.35 C[C@@H](O)c1csc(Cl)c1 Amb25889692 [0,2,0,0,0,0|2,0,0]=4 5544 B9R1.35 C[C@@H](O)c1ncc(Br)s1 Amb33434347 [0,2,0,0,0,0|1,1,0]=4 5545 B9R1.35 C[C@H](N)c1cc(Br)co1 Amb27655645 [0,2,0,0,0,0|1,0,0]=3 5546 B9R1.35 C[C@H](N)c1cc(Br)cs1 Amb25075759 [0,2,0,0,0,0|1,1,0]=4 5547 B9R1.35 C[C@H](N)c1cc(Br)no1 Amb32667072 [0,2,0,0,0,0|2,0,0]=4 5548 B9R1.35 C[C@H](N)c1cc(Cl)co1 Amb27779995 [0,2,0,0,0,0|1,0,0]=3 5549 B9R1.35 C[C@H](N)c1cc(Cl)cs1 Amb27838463 [0,2,0,0,0,0|1,1,0]=4 5550 B9R1.35 C[C@H](N)c1cc(F)co1 Amb27263850 [0,2,0,0,0,0|1,0,0]=3 5551 B9R1.35 C[C@H](N)c1cc(F)cs1 Amb27644516 [0,2,0,0,0,0|1,1,0]=4 5552 B9R1.35 C[C@H](N)c1ccc(Br)o1 Amb27168658 [0,2,0,0,0,0|1,0,0]=3 5553 B9R1.35 C[C@H](N)c1ccc(Br)s1 Amb13953006 [0,2,0,0,0,0|1,1,0]=4 5554 B9R1.35 C[C@H](N)c1ccc(Br)s1 Amb28895927 [0,2,0,0,0,0|1,1,0]=4 5555 B9R1.35 C[C@H](N)c1ccc(Cl)o1 Amb26931153 [0,2,0,0,0,0|1,0,0]=3 5556 B9R1.35 C[C@H](N)c1ccc(Cl)s1 Amb13953001 [0,2,0,0,0,0|1,1,0]=4 5557 B9R1.35 C[C@H](N)c1ccc(Cl)s1 Amb28934974 [0,2,0,0,0,0|1,1,0]=4 5558 B9R1.35 C[C@H](N)c1ccc(F)o1 Amb28134653 [0,2,0,0,0,0|1,0,0]=3 5559 B9R1.35 C[C@H](O)[C@@H]1C=CC(=O)O1 Amb27213832 [0,2,0,0,0,0|0,0,1]=3 5560 B9R1.35 C[C@H](O)[C@H]1C=CC(=O)O1 Amb28435793 [0,2,0,0,0,0|0,0,1]=3 5561 B9R1.35 C[C@H](O)c1cc(Br)co1 Amb33431528 [0,2,0,0,0,0|0,0,0]=2 5562 B9R1.35 C[C@H](O)c1cc(Br)cs1 Amb26857270 [0,2,0,0,0,0|0,1,0]=3 5563 B9R1.35 C[C@H](O)c1cc(Br)no1 Amb28292116 [0,2,0,0,0,0|1,0,0]=3 5564 B9R1.35 C[C@H](O)c1cc(Cl)cs1 Amb33057552 [0,2,0,0,0,0|0,1,0]=3 5565 B9R1.35 C[C@H](O)c1ccc(Br)o1 Amb28321678 [0,2,0,0,0,0|0,0,0]=2 5566 B9R1.35 C[C@H](O)c1ccc(Br)s1 Amb13953004 [0,2,0,0,0,0|0,1,0]=3 5567 B9R1.35 C[C@H](O)c1ccc(Cl)o1 Amb33258305 [0,2,0,0,0,0|0,0,0]=2 5568 B9R1.35 C[C@H](O)c1ccc(Cl)s1 Amb13953000 [0,2,0,0,0,0|0,1,0]=3 5569 B9R1.35 C[C@H](O)c1ccn(C)n1 Amb24545879 [0,2,0,0,0,0|2,0,0]=4 5570 B9R1.35 C[C@H](O)c1cn(C)cn1 Amb33326140 [0,2,0,0,0,0|2,0,0]=4 5571 B9R1.35 C[C@H](O)c1cnc(Cl)s1 Amb33220919 [0,2,0,0,0,0|1,1,0]=4 5572 B9R1.35 C[C@H](O)c1csc(Br)c1 Amb33432235 [0,2,0,0,0,0|2,0,0]=4 5573 B9R1.35 C[C@H](O)c1csc(Br)n1 Amb33334923 [0,2,0,0,0,0|2,0,0]=4 5574 B9R1.35 C[C@H](O)c1csc(Cl)c1 Amb25360387 [0,2,0,0,0,0|2,0,0]=4 5575 B9R1.35 C[C@H](O)c1ncc(Br)s1 Amb33434350 [0,2,0,0,0,0|1,1,0]=4 5576 B9R1.35 Cc1cc(B(O)O)on1 Amb25075534 [0,2,0,0,0,0|2,0,0]=4 5577 B9R1.35 Cc1cc(C(=O)O)on1 Amb6315792 [0,2,0,0,0,0|1,0,1]=4 5578 B9R1.35 Cc1cc(C(C)Br)on1 Amb27233483 [0,2,0,0,0,0|2,0,0]=4 5579 B9R1.35 Cc1cc(C(C)N)on1 Amb26537070 [0,2,0,0,0,0|2,0,0]=4 5580 B9R1.35 Cc1cc(C(C)N)on1 Amb33733832 [0,2,0,0,0,0|2,0,0]=4 5581 B9R1.35 Cc1cc(C(C)O)no1 Amb23440963 [0,2,0,0,0,0|2,0,0]=4 5582 B9R1.35 Cc1cc(C(Cl)Cl)on1 Amb27955158 [0,2,0,0,0,0|2,0,0]=4 5583 B9R1.35 Cc1cc(C(F)F)on1 Amb23571755 [0,2,0,0,0,0|2,0,0]=4 5584 B9R1.35 Cc1cc([C@@H](C)N)on1 Amb33327200 [0,2,0,0,0,0|2,0,0]=4 5585 B9R1.35 Cc1cc([C@@H](C)O)no1 Amb24340083 [0,2,0,0,0,0|2,0,0]=4 5586 B9R1.35 Cc1cc([C@@H](C)O)on1 Amb33327198 [0,2,0,0,0,0|1,0,0]=3 5587 B9R1.35 Cc1cc([C@H](C)N)on1 Amb27446008 [0,2,0,0,0,0|2,0,0]=4 5588 B9R1.35 Cc1cc([C@H](C)O)cs1 Amb27212219 [0,2,0,0,0,0|2,0,0]=4 5589 B9R1.35 Cc1cc([C@H](C)O)no1 Amb26871855 [0,2,0,0,0,0|2,0,0]=4 5590 B9R1.35 Cc1cc([C@H](C)O)on1 Amb24675526 [0,2,0,0,0,0|1,0,0]=3 5591 B9R1.35 Cc1ccc(B(O)O)o1 Amb22586674 [0,2,0,0,0,0|1,0,0]=3 5592 B9R1.35 Cc1ccc(B(O)O)o1 Amb2720325 [0,2,0,0,0,0|1,0,0]=3 5593 B9R1.35 Cc1ccc(B(O)O)s1 Amb2720300 [0,2,0,0,0,0|1,1,0]=4 5594 B9R1.35 Cc1ccc(C(=N)N)o1 Amb21959999 [0,2,0,0,0,0|1,0,1]=4 5595 B9R1.35 Cc1ccc(C(=N)N)o1 Amb8834125 [0,2,0,0,0,0|1,0,1]=4 5596 B9R1.35 Cc1ccc(C(=O)Cl)o1 Amb2689440 [0,2,0,0,0,0|0,0,2]=4 5597 B9R1.35 Cc1ccc(C(=O)O)o1 Amb6318544 [0,2,0,0,0,0|0,0,1]=3 5598 B9R1.35 Cc1ccc(C(=O)O)s1 Amb1157149 [0,2,0,0,0,0|0,1,1]=4 5599 B9R1.35 Cc1ccc(C(C)C)o1 Amb22749543 [0,2,0,0,0,0|1,0,0]=3 5600 B9R1.35 Cc1ccc(C(C)C)s1 Amb27185525 [0,2,0,0,0,0|1,1,0]=4 5601 B9R1.35 Cc1ccc(C(C)N)o1 Amb487237 [0,2,0,0,0,0|1,0,0]=3 5602 B9R1.35 Cc1ccc(C(C)N)s1 Amb10610116 [0,2,0,0,0,0|1,1,0]=4 5603 B9R1.35 Cc1ccc(C(C)N)s1 Amb9703786 [0,2,0,0,0,0|1,1,0]=4 5604 B9R1.35 Cc1ccc(C(C)O)o1 Amb6705773 [0,2,0,0,0,0|0,0,0]=2 5605 B9R1.35 Cc1ccc(C(C)O)s1 Amb2237071 [0,2,0,0,0,0|0,1,0]=3 5606 B9R1.35 Cc1ccc(C(C)S)o1 Amb9208021 [0,2,0,0,0,0|0,1,0]=3 5607 B9R1.35 Cc1ccc(C(C)S)s1 Amb9208034 [0,2,0,0,0,0|0,2,0]=4 5608 B9R1.35 Cc1ccc(C(F)F)s1 Amb27631768 [0,2,0,0,0,0|1,1,0]=4 5609 B9R1.35 Cc1ccc(C(N)=O)o1 Amb3359879 [0,2,0,0,0,0|0,0,2]=4 5610 B9R1.35 Cc1ccc(C(N)=S)o1 Amb8834042 [0,2,0,0,0,0|0,1,1]=4 5611 B9R1.35 Cc1ccc(P(Br)Br)o1 Amb4297337 [0,2,0,0,0,0|2,0,0]=4 5612 B9R1.35 Cc1ccc(S(=O)[O-])o1 Amb32754110 [0,2,0,0,0,0|1,0,1]=4 5613 B9R1.35 Cc1ccc(S(C)=O)o1 Amb27230252 [0,2,0,0,0,0|1,0,1]=4 5614 B9R1.35 Cc1ccc([C@@H](C)N)o1 Amb13952993 [0,2,0,0,0,0|1,0,0]=3 5615 B9R1.35 Cc1ccc([C@@H](C)N)o1 Amb33712017 [0,2,0,0,0,0|1,0,0]=3 5616 B9R1.35 Cc1ccc([C@@H](C)N)s1 Amb27494851 [0,2,0,0,0,0|1,1,0]=4 5617 B9R1.35 Cc1ccc([C@@H](C)O)o1 Amb13952991 [0,2,0,0,0,0|0,0,0]=2 5618 B9R1.35 Cc1ccc([C@@H](C)O)s1 Amb24625882 [0,2,0,0,0,0|0,1,0]=3 5619 B9R1.35 Cc1ccc([C@H](C)N)o1 Amb13952995 [0,2,0,0,0,0|1,0,0]=3 5620 B9R1.35 Cc1ccc([C@H](C)N)s1 Amb24555329 [0,2,0,0,0,0|1,1,0]=4 5621 B9R1.35 Cc1ccc([C@H](C)O)o1 Amb13952992 [0,2,0,0,0,0|0,0,0]=2 5622 B9R1.35 Cc1ccc([C@H](C)O)s1 Amb27249678 [0,2,0,0,0,0|0,1,0]=3 5623 B9R1.35 Cc1ccc([N+](=O)[O-])o1 Amb4021593 [0,2,0,0,0,0|1,0,1]=4 5624 B9R1.35 Cc1ccc([SiH](C)C)o1 Amb27843651 [0,2,0,0,0,0|1,1,0]=4 5625 B9R1.35 Cc1cnc(C(=O)O)o1 Amb18832708 [0,2,0,0,0,0|1,0,1]=4 5626 B9R1.35 Cc1cnc(C(C)C)o1 Amb23456251 [0,2,0,0,0,0|2,0,0]=4 5627 B9R1.35 Cc1cnc(C(C)Cl)o1 Amb22059657 [0,2,0,0,0,0|2,0,0]=4 5628 B9R1.35 Cc1cnc(C(C)N)o1 Amb5733072 [0,2,0,0,0,0|2,0,0]=4 5629 B9R1.35 Cc1cnc(C(C)O)s1 Amb19649411 [0,2,0,0,0,0|1,1,0]=4 5630 B9R1.35 Cc1cnc([C@@H](C)N)o1 Amb19373386 [0,2,0,0,0,0|2,0,0]=4 5631 B9R1.35 Cc1coc(B(O)O)c1 Amb10597554 [0,2,0,0,0,0|1,0,0]=3 5632 B9R1.35 Cc1coc(C(=O)O)c1 Amb18642368 [0,2,0,0,0,0|0,0,1]=3 5633 B9R1.35 Cc1coc(C(=O)O)n1 Amb18832706 [0,2,0,0,0,0|1,0,1]=4 5634 B9R1.35 Cc1coc(C(C)Cl)n1 Amb32671974 [0,2,0,0,0,0|2,0,0]=4 5635 B9R1.35 Cc1coc(C(C)N)n1 Amb25786164 [0,2,0,0,0,0|2,0,0]=4 5636 B9R1.35 Cc1coc(C(C)O)c1 Amb28049143 [0,2,0,0,0,0|0,0,0]=2 5637 B9R1.35 Cc1coc(C(O)O)n1 Amb27980450 [0,2,0,0,0,0|1,0,0]=3 5638 B9R1.35 Cc1coc([C@@H](C)N)n1 Amb18832748 [0,2,0,0,0,0|2,0,0]=4 5639 B9R1.35 Cc1coc([C@@H](C)N)n1 Amb33457637 [0,2,0,0,0,0|2,0,0]=4 5640 B9R1.35 Cc1coc([C@H](C)N)c1 Amb28367125 [0,2,0,0,0,0|1,0,0]=3 5641 B9R1.35 Cc1coc([N+](=O)[O-])c1 Amb27230229 [0,2,0,0,0,0|1,0,1]=4 5642 B9R1.35 Cc1csc(B(O)O)c1 Amb2456033 [0,2,0,0,0,0|1,1,0]=4 5643 B9R1.35 Cc1csc(C(=O)O)c1 Amb2691600 [0,2,0,0,0,0|0,1,1]=4 5644 B9R1.35 Cc1csc(C(C)N)c1 Amb24505034 [0,2,0,0,0,0|1,1,0]=4 5645 B9R1.35 Cc1csc(C(C)O)n1 Amb19649410 [0,2,0,0,0,0|1,1,0]=4 5646 B9R1.35 Cc1csc([C@@H](C)N)c1 Amb28423529 [0,2,0,0,0,0|1,1,0]=4 5647 B9R1.35 Cc1csc([C@@H](C)O)c1 Amb33427968 [0,2,0,0,0,0|0,1,0]=3 5648 B9R1.35 Cc1csc([C@H](C)N)c1 Amb26498785 [0,2,0,0,0,0|1,1,0]=4 5649 B9R1.35 Cc1csc([C@H](C)O)c1 Amb33427600 [0,2,0,0,0,0|0,1,0]=3 5650 B9R1.35 Cc1nc(C(C)O)co1 Amb25954103 [0,2,0,0,0,0|2,0,0]=4 5651 B9R1.35 Cc1nc(C(C)O)cs1 Amb25307878 [0,2,0,0,0,0|2,0,0]=4 5652 B9R1.35 Cc1nc([C@@H](C)O)cs1 Amb26407509 [0,2,0,0,0,0|2,0,0]=4 5653 B9R1.35 Cc1nc([C@H](C)O)cs1 Amb24747372 [0,2,0,0,0,0|2,0,0]=4 5654 B9R1.35 Cc1ncc(B(O)O)o1 Amb27170453 [0,2,0,0,0,0|2,0,0]=4 5655 B9R1.35 Cc1ncc(C(=O)O)o1 Amb17399815 [0,2,0,0,0,0|1,0,1]=4 5656 B9R1.35 Cc1ncc([C@@H](C)O)s1 Amb33143449 [0,2,0,0,0,0|1,1,0]=4 5657 B9R1.35 Cc1ncc([C@H](C)O)s1 Amb33142959 [0,2,0,0,0,0|1,1,0]=4 5658 B9R1.35 Cc1nnc(C(C)O)o1 Amb19330390 [0,2,0,0,0,0|2,0,0]=4 5659 B9R1.35 Cc1nnc([C@@H](C)O)o1 Amb19373046 [0,2,0,0,0,0|2,0,0]=4 5660 B9R1.35 Cc1nnc([C@H](C)O)o1 Amb24505031 [0,2,0,0,0,0|2,0,0]=4 5661 B9R1.35 Cc1noc(C(C)O)n1 Amb19322011 [0,2,0,0,0,0|2,0,0]=4 5662 B9R1.35 FC(F)c1cc(Br)co1 Amb32419656 [0,2,0,0,0,0|1,0,0]=3 5663 B9R1.35 FC(F)c1cc(Br)cs1 Amb2691830 [0,2,0,0,0,0|1,1,0]=4 5664 B9R1.35 FC(F)c1cc(Br)no1 Amb33729648 [0,2,0,0,0,0|2,0,0]=4 5665 B9R1.35 FC(F)c1ccc(Br)o1 Amb26449151 [0,2,0,0,0,0|1,0,0]=3 5666 B9R1.35 FC(F)c1ccc(Br)s1 Amb19894510 [0,2,0,0,0,0|1,1,0]=4 5667 B9R1.35 FC(F)c1ccc(I)o1 Amb22008359 [0,2,0,0,0,0|1,0,0]=3 5668 B9R1.35 FC(F)c1ncc(Br)o1 Amb27967317 [0,2,0,0,0,0|2,0,0]=4 5669 B9R1.35 N=C(N)c1cc(Br)co1 Amb33434374 [0,2,0,0,0,0|1,0,1]=4 5670 B9R1.35 N=C(N)c1ccc(Br)o1 Amb8834130 [0,2,0,0,0,0|1,0,1]=4 5671 B9R1.35 N=C(N)c1ccc(Cl)o1 Amb28075240 [0,2,0,0,0,0|1,0,1]=4 5672 B9R1.35 N=C(N)c1ccc(I)o1 Amb17601640 [0,2,0,0,0,0|1,0,1]=4 5673 B9R1.35 NC(=O)c1cc(Br)co1 Amb22044254 [0,2,0,0,0,0|0,0,2]=4 5674 B9R1.35 NC(=O)c1ccc(Br)o1 Amb8335806 [0,2,0,0,0,0|0,0,2]=4 5675 B9R1.35 NC(=O)c1ccc(Cl)o1 Amb27203205 [0,2,0,0,0,0|0,0,2]=4 5676 B9R1.35 NC(=O)c1ccc(I)o1 Amb780127 [0,2,0,0,0,0|0,0,2]=4 5677 B9R1.35 NC(=S)c1cc(Br)co1 Amb33263390 [0,2,0,0,0,0|0,1,1]=4 5678 B9R1.35 NC(=S)c1ccc(Br)o1 Amb1117160 [0,2,0,0,0,0|0,1,1]=4 5679 B9R1.35 NC(=S)c1ccc(Cl)o1 Amb33259040 [0,2,0,0,0,0|0,1,1]=4 5680 B9R1.35 Nc1cc(C(=O)O)on1 Amb18832657 [0,2,0,0,0,0|1,0,1]=4 5681 B9R1.35 Nc1cc(C(F)F)on1 Amb26618818 [0,2,0,0,0,0|2,0,0]=4 5682 B9R1.35 Nc1ccc(C(=O)O)o1 Amb18946756 [0,2,0,0,0,0|0,0,1]=3 5683 B9R1.35 Nc1ccc(C(=O)O)s1 Amb18831593 [0,2,0,0,0,0|0,1,1]=4 5684 B9R1.35 Nc1ccc([N+](=O)[O-])o1 Amb18832656 [0,2,0,0,0,0|1,0,1]=4 5685 B9R1.35 Nc1csc(C(=O)O)c1 Amb10602581 [0,2,0,0,0,0|0,1,1]=4 5686 B9R1.35 Nc1csc(C(=O)O)c1 Amb18124637 [0,2,0,0,0,0|0,1,1]=4 5687 B9R1.35 Nc1ncc(C(=O)O)o1 Amb19959202 [0,2,0,0,0,0|1,0,1]=4 5688 B9R1.35 Nc1ncc(C(F)F)o1 Amb27633507 [0,2,0,0,0,0|2,0,0]=4 5689 B9R1.35 O=C(Br)c1ccc(Br)o1 Amb17939056 [0,2,0,0,0,0|0,0,2]=4 5690 B9R1.35 O=C(Cl)c1ccc(Br)o1 Amb2685261 [0,2,0,0,0,0|0,0,2]=4 5691 B9R1.35 O=C(Cl)c1ccc(Cl)o1 Amb27953619 [0,2,0,0,0,0|0,0,2]=4 5692 B9R1.35 O=C(Cl)c1ccc(F)o1 Amb28196417 [0,2,0,0,0,0|0,0,2]=4 5693 B9R1.35 O=C(Cl)c1ccc(I)o1 Amb27438212 [0,2,0,0,0,0|0,0,2]=4 5694 B9R1.35 O=C(F)c1ccc(Br)o1 Amb28254044 [0,2,0,0,0,0|0,0,2]=4 5695 B9R1.35 O=C(O)c1cc(Br)co1 Amb18129829 [0,2,0,0,0,0|0,0,1]=3 5696 B9R1.35 O=C(O)c1cc(Br)cs1 Amb1935172 [0,2,0,0,0,0|0,1,1]=4 5697 B9R1.35 O=C(O)c1cc(Br)no1 Amb10603676 [0,2,0,0,0,0|1,0,1]=4 5698 B9R1.35 O=C(O)c1cc(Cl)co1 Amb18644297 [0,2,0,0,0,0|0,0,1]=3 5699 B9R1.35 O=C(O)c1cc(Cl)cs1 Amb16185757 [0,2,0,0,0,0|0,1,1]=4 5700 B9R1.35 O=C(O)c1cc(Cl)no1 Amb15701317 [0,2,0,0,0,0|1,0,1]=4 5701 B9R1.35 O=C(O)c1cc(F)co1 Amb28141604 [0,2,0,0,0,0|0,0,1]=3 5702 B9R1.35 O=C(O)c1cc(F)cs1 Amb10602731 [0,2,0,0,0,0|0,1,1]=4 5703 B9R1.35 O=C(O)c1cc(O)co1 Amb27494194 [0,2,0,0,0,0|0,0,1]=3 5704 B9R1.35 O=C(O)c1cc(O)cs1 Amb5720296 [0,2,0,0,0,0|0,1,1]=4 5705 B9R1.35 O=C(O)c1cc(O)no1 Amb9173684 [0,2,0,0,0,0|1,0,1]=4 5706 B9R1.35 O=C(O)c1ccc(Br)o1 Amb6335213 [0,2,0,0,0,0|0,0,1]=3 5707 B9R1.35 O=C(O)c1ccc(Br)s1 Amb6341887 [0,2,0,0,0,0|0,1,1]=4 5708 B9R1.35 O=C(O)c1ccc(Cl)o1 Amb1107530 [0,2,0,0,0,0|0,0,1]=3 5709 B9R1.35 O=C(O)c1ccc(Cl)s1 Amb1152956 [0,2,0,0,0,0|0,1,1]=4 5710 B9R1.35 O=C(O)c1ccc(F)o1 Amb23538033 [0,2,0,0,0,0|0,0,1]=3 5711 B9R1.35 O=C(O)c1ccc(F)s1 Amb33542618 [0,2,0,0,0,0|0,1,1]=4 5712 B9R1.35 O=C(O)c1ccc(I)o1 Amb2459665 [0,2,0,0,0,0|0,0,1]=3 5713 B9R1.35 O=C(O)c1ccc(I)s1 Amb22002319 [0,2,0,0,0,0|0,1,1]=4 5714 B9R1.35 O=C(O)c1cnc(Br)o1 Amb22432570 [0,2,0,0,0,0|1,0,1]=4 5715 B9R1.35 O=C(O)c1cnc(Cl)o1 Amb26652765 [0,2,0,0,0,0|1,0,1]=4 5716 B9R1.35 O=C(O)c1cnc(O)o1 Amb25178101 [0,2,0,0,0,0|1,0,1]=4 5717 B9R1.35 O=C(O)c1nc(Br)co1 Amb22754333 [0,2,0,0,0,0|1,0,1]=4 5718 B9R1.35 O=C1C=C(C(=O)O)ON1 Amb19889163 [0,2,0,0,0,0|1,0,1]=4 5719 B9R1.35 O=C1C=CC(=C(Cl)Cl)O1 Amb27237262 [0,2,0,0,0,0|1,0,1]=4 5720 B9R1.35 O=S(O)c1cc(Br)cs1 Amb18867802 [0,2,0,0,0,0|1,1,0]=4 5721 B9R1.35 O=S(O)c1ccc(Br)s1 Amb18571234 [0,2,0,0,0,0|1,1,0]=4 5722 B9R1.35 O=S(O)c1ccc(Cl)s1 Amb18560136 [0,2,0,0,0,0|1,1,0]=4 5723 B9R1.35 O=S([O-])c1ccc(Br)o1 Amb32754631 [0,2,0,0,0,0|1,0,1]=4 5724 B9R1.35 O=S([O-])c1ccc(Cl)o1 Amb33457760 [0,2,0,0,0,0|1,0,1]=4 5725 B9R1.35 O=[N+]([O-])c1ccc(Br)o1 Amb5494066 [0,2,0,0,0,0|1,0,1]=4 5726 B9R1.35 O=[N+]([O-])c1ccc(I)o1 Amb27462533 [0,2,0,0,0,0|1,0,1]=4 5727 B9R1.35 O=[N+]([O-])c1ccc(O)o1 Amb25025913 [0,2,0,0,0,0|1,0,1]=4 5728 B9R1.35 OB(O)c1cc(Br)co1 Amb24312747 [0,2,0,0,0,0|1,0,0]=3 5729 B9R1.35 OB(O)c1cc(Br)cs1 Amb9780893 [0,2,0,0,0,0|1,1,0]=4 5730 B9R1.35 OB(O)c1cc(Br)no1 Amb26425512 [0,2,0,0,0,0|2,0,0]=4 5731 B9R1.35 OB(O)c1cc(Cl)cs1 Amb24073885 [0,2,0,0,0,0|1,1,0]=4 5732 B9R1.35 OB(O)c1cc(F)cs1 Amb22001864 [0,2,0,0,0,0|1,1,0]=4 5733 B9R1.35 OB(O)c1ccc(Br)o1 Amb24312807 [0,2,0,0,0,0|1,0,0]=3 5734 B9R1.35 OB(O)c1ccc(Br)s1 Amb2455658 [0,2,0,0,0,0|1,1,0]=4 5735 B9R1.35 OB(O)c1ccc(Cl)s1 Amb2686483 [0,2,0,0,0,0|1,1,0]=4 5736 B9R1.35 OB(O)c1ccc(F)s1 Amb19892583 [0,2,0,0,0,0|1,1,0]=4 5737 B9R1.35 OC(=S)c1ccc(Br)o1 Amb27186020 [0,2,0,0,0,0|0,0,1]=3 5738 B9R1.35 OC(O)c1ccc(Br)o1 Amb27631640 [0,2,0,0,0,0|0,0,0]=2 5739 B9R1.35 Oc1coc(C(F)F)n1 Amb27237884 [0,2,0,0,0,0|2,0,0]=4 5740 B9R1.35 Oc1ncc(C(F)F)o1 Amb27816789 [0,2,0,0,0,0|2,0,0]=4 5741 B9R1.125 C[C@]1(CO)C=CC(=O)C1 Amb27838760 [0,2,0,0,0,0|1,0,1]=4 5742 B9R1.125 O=C1C=CC(O)(CCl)O1 Amb27589361 [0,2,0,0,0,0|1,0,1]=4 5743 B9R1.132 CC1=C(CN)ONC1=O Amb18832638 [0,2,0,0,0,0|2,0,0]=4 5744 B9R1.132 CCN1OC=C(Br)C1=O Amb28349801 [0,2,0,0,0,0|2,0,0]=4 5745 B9R1.132 CCc1ccc(F)n1C Amb24373276 [0,2,0,0,0,0|2,0,0]=4 5746 B9R1.132 CCc1onc(C)c1N Amb23440679 [0,2,0,0,0,0|2,0,0]=4 5747 B9R1.132 CCc1onc(C)c1N Amb32693406 [0,2,0,0,0,0|2,0,0]=4 5748 B9R1.132 CCc1onc(N)c1C Amb18832753 [0,2,0,0,0,0|2,0,0]=4 5749 B9R1.132 CN1C(=S)NC=C1CO Amb20637276 [0,2,0,0,0,0|2,0,0]=4 5750 B9R1.132 Cc1c(Br)csc1CO Amb26961495 [0,2,0,0,0,0|0,1,0]=3 5751 B9R1.132 Cc1c(CO)ncn1C Amb25187373 [0,2,0,0,0,0|2,0,0]=4 5752 B9R1.132 Cc1c(N)coc1C=O Amb18832844 [0,2,0,0,0,0|0,0,2]=4 5753 B9R1.132 Cc1ccc(CN)n1C Amb10531650 [0,2,0,0,0,0|2,0,0]=4 5754 B9R1.132 Cc1ccc(CN)n1C Amb1090454 [0,2,0,0,0,0|2,0,0]=4 5755 B9R1.132 Cc1ccc(C[NH3+])n1C Amb34916611 [0,2,0,0,0,0|2,0,0]=4 5756 B9R1.132 Cc1cnc(CO)n1C Amb24192760 [0,2,0,0,0,0|2,0,0]=4 5757 B9R1.132 Cc1coc(C=O)c1Br Amb18187328 [0,2,0,0,0,0|0,0,2]=4 5758 B9R1.132 Cc1coc(C=O)c1C Amb28130434 [0,2,0,0,0,0|0,0,2]=4 5759 B9R1.132 Cc1csc(CBr)c1Br Amb33433885 [0,2,0,0,0,0|1,1,0]=4 5760 B9R1.132 Cc1csc(CBr)c1Cl Amb24554516 [0,2,0,0,0,0|1,1,0]=4 5761 B9R1.132 Cc1csc(CCl)c1Br Amb33433852 [0,2,0,0,0,0|1,1,0]=4 5762 B9R1.132 Cc1csc(CCl)c1Cl Amb24479936 [0,2,0,0,0,0|1,1,0]=4 5763 B9R1.132 Cc1csc(CN)c1Br Amb33433188 [0,2,0,0,0,0|1,1,0]=4 5764 B9R1.132 Cc1csc(CN)c1Cl Amb27600778 [0,2,0,0,0,0|1,1,0]=4 5765 B9R1.132 Cc1csc(CO)c1Br Amb33433836 [0,2,0,0,0,0|0,1,0]=3 5766 B9R1.132 Cc1csc(CO)c1Cl Amb26588019 [0,2,0,0,0,0|0,1,0]=3 5767 B9R1.132 Cc1csc(CS)c1Br Amb33432434 [0,2,0,0,0,0|0,2,0]=4 5768 B9R1.132 Cc1ncc(CO)n1C Amb22009457 [0,2,0,0,0,0|2,0,0]=4 5769 B9R1.132 Cc1noc(CBr)c1Br Amb22748950 [0,2,0,0,0,0|2,0,0]=4 5770 B9R1.132 Cc1noc(CBr)c1C Amb27478005 [0,2,0,0,0,0|2,0,0]=4 5771 B9R1.132 Cc1noc(CCl)c1Cl Amb25032241 [0,2,0,0,0,0|2,0,0]=4 5772 B9R1.132 Cc1noc(CO)c1Br Amb23592260 [0,2,0,0,0,0|1,0,0]=3 5773 B9R1.132 Cc1noc(CO)c1I Amb27812236 [0,2,0,0,0,0|1,0,0]=3 5774 B9R1.132 Cc1noc(CO)c1N Amb35666922 [0,2,0,0,0,0|1,0,0]=3 5775 B9R1.132 Cc1onc(CO)c1Br Amb35744315 [0,2,0,0,0,0|2,0,0]=4 5776 B9R1.132 Cc1onc(CO)c1I Amb25888868 [0,2,0,0,0,0|2,0,0]=4 5777 B9R1.132 Cc1scc(CO)c1C Amb6753829 [0,2,0,0,0,0|2,0,0]=4 5778 B9R1.132 ClCc1occ(Cl)c1Cl Amb27444161 [0,2,0,0,0,0|1,0,0]=3 5779 B9R1.132 Cn1c(Br)cnc1CO Amb6751935 [0,2,0,0,0,0|2,0,0]=4 5780 B9R1.132 Cn1c(CO)cnc1Br Amb22495979 [0,2,0,0,0,0|2,0,0]=4 5781 B9R1.132 Cn1c(CO)cnc1Cl Amb25809022 [0,2,0,0,0,0|2,0,0]=4 5782 B9R1.132 Cn1c(CO)cnc1N Amb2699144 [0,2,0,0,0,0|2,0,0]=4 5783 B9R1.132 Cn1c(CO)cnc1S Amb2424532 [0,2,0,0,0,0|2,0,0]=4 5784 B9R1.132 Cn1c(Cl)ccc1CO Amb26549135 [0,2,0,0,0,0|1,0,0]=3 5785 B9R1.132 Cn1c(Cl)cnc1CO Amb13951698 [0,2,0,0,0,0|2,0,0]=4 5786 B9R1.132 Cn1c(Cl)cnc1CO Amb9287817 [0,2,0,0,0,0|2,0,0]=4 5787 B9R1.132 N#Cc1occ(Cl)c1Cl Amb23538002 [0,2,0,0,0,0|1,0,1]=4 5788 B9R1.132 Nc1c(Br)coc1C=O Amb27252954 [0,2,0,0,0,0|0,0,2]=4 5789 B9R1.132 O=C1CCC(CO)=C1O Amb27261379 [0,2,0,0,0,0|1,0,1]=4 5790 B9R1.132 O=C1OCC(CO)=C1F Amb27775542 [0,2,0,0,0,0|2,0,0]=4 5791 B9R1.132 OCc1nsc(Cl)c1Cl Amb27172333 [0,2,0,0,0,0|2,0,0]=4 5792 B9R1.132 OCc1snc(Cl)c1Cl Amb25675466 [0,2,0,0,0,0|1,1,0]=4 5793 B9R1.133 CC1(C)OC=C(CO)O1 Amb27588531 [0,2,0,0,0,0|1,0,1]=4 5794 B9R1.133 C[C@@]1(O)C=C[C@@H](CO)O1 Amb27853766 [0,2,0,0,0,0|0,0,2]=4 5795 B9R1.133 C[C@@]1(O)C=C[C@H](CO)O1 Amb27980501 [0,2,0,0,0,0|0,0,2]=4 5796 B9R1.11 C#CC(=O)c1ccco1 Amb27465291 [0,2,0,0,0,0|0,0,2]=4 5797 B9R1.11 C#CC(C)c1ccco1 Amb33169149 [0,2,0,0,0,0|1,0,0]=3 5798 B9R1.11 C#CC(C)c1cccs1 Amb33169147 [0,2,0,0,0,0|1,1,0]=4 5799 B9R1.11 C#CC(C)c1cnco1 Amb33414811 [0,2,0,0,0,0|2,0,0]=4 5800 B9R1.11 C#CC(N)c1cccs1 Amb23448720 [0,2,0,0,0,0|1,1,0]=4 5801 B9R1.11 C#CC(O)c1ccns1 Amb35704111 [0,2,0,0,0,0|1,1,0]=4 5802 B9R1.11 C#CC(O)c1ccoc1 Amb25147214 [0,2,0,0,0,0|2,0,0]=4 5803 B9R1.11 C#CC(O)c1ccsc1 Amb25862389 [0,2,0,0,0,0|2,0,0]=4 5804 B9R1.11 C#CC(O)c1cncs1 Amb27797532 [0,2,0,0,0,0|1,1,0]=4 5805 B9R1.11 C#C[C@H](O)c1ccco1 Amb27482121 [0,2,0,0,0,0|0,0,0]=2 5806 B9R1.11 C#C[C@H](O)c1ccsc1 Amb27457827 [0,2,0,0,0,0|2,0,0]=4 5807 B9R1.11 C=C(CBr)c1ccco1 Amb33451440 [0,2,0,0,0,0|1,0,0]=3 5808 B9R1.11 C=C(CBr)c1cccs1 Amb26024920 [0,2,0,0,0,0|1,1,0]=4 5809 B9R1.11 C=C(CBr)c1cnco1 Amb33335682 [0,2,0,0,0,0|2,0,0]=4 5810 B9R1.11 C=C(CC)c1ccco1 Amb28119044 [0,2,0,0,0,0|1,0,0]=3 5811 B9R1.11 C=C(CC)c1cccs1 Amb27494295 [0,2,0,0,0,0|1,1,0]=4 5812 B9R1.11 C=C(CCl)c1ccco1 Amb28249972 [0,2,0,0,0,0|1,0,0]=3 5813 B9R1.11 C=C(CCl)c1cccs1 Amb25349350 [0,2,0,0,0,0|1,1,0]=4 5814 B9R1.11 C=C(CN)c1ccco1 Amb26971270 [0,2,0,0,0,0|1,0,0]=3 5815 B9R1.11 C=C(CN)c1cccs1 Amb18908327 [0,2,0,0,0,0|1,1,0]=4 5816 B9R1.11 C=C(CN)c1cnco1 Amb33414802 [0,2,0,0,0,0|2,0,0]=4 5817 B9R1.11 C=C(CO)C1C=CC=C1 Amb28049156 [0,2,0,0,0,0|1,0,1]=4 5818 B9R1.11 C=C(CO)c1cccs1 Amb27395559 [0,2,0,0,0,0|0,1,0]=3 5819 B9R1.11 C=C(CO)c1ccoc1 Amb8392419 [0,2,0,0,0,0|2,0,0]=4 5820 B9R1.11 C=CC(=O)c1ccco1 Amb16232452 [0,2,0,0,0,0|0,0,2]=4 5821 B9R1.11 C=CC(N)c1ccco1 Amb28073876 [0,2,0,0,0,0|1,0,0]=3 5822 B9R1.11 C=CC(N)c1cccs1 Amb28364292 [0,2,0,0,0,0|1,1,0]=4 5823 B9R1.11 C=CC(O)c1ccco1 Amb24332569 [0,2,0,0,0,0|0,0,0]=2 5824 B9R1.11 C=CC(O)c1cccs1 Amb25123773 [0,2,0,0,0,0|0,1,0]=3 5825 B9R1.11 C=CC(O)c1ccns1 Amb35704112 [0,2,0,0,0,0|1,1,0]=4 5826 B9R1.11 C=CC(O)c1ccoc1 Amb25794051 [0,2,0,0,0,0|2,0,0]=4 5827 B9R1.11 C=CC(O)c1ccon1 Amb33198345 [0,2,0,0,0,0|2,0,0]=4 5828 B9R1.11 C=CC(O)c1ccsc1 Amb24427764 [0,2,0,0,0,0|2,0,0]=4 5829 B9R1.11 C=CC(O)c1cnco1 Amb26905803 [0,2,0,0,0,0|1,0,0]=3 5830 B9R1.11 C=CC(O)c1cncs1 Amb26529292 [0,2,0,0,0,0|1,1,0]=4 5831 B9R1.11 C=CC(O)c1nccs1 Amb24481644 [0,2,0,0,0,0|1,1,0]=4 5832 B9R1.11 C=C[C@@H](N)c1ccco1 Amb27221032 [0,2,0,0,0,0|1,0,0]=3 5833 B9R1.11 C=C[C@@H](O)[C@H]1C=CCO1 Amb28435852 [0,2,0,0,0,0|0,0,2]=4 5834 B9R1.11 C=C[C@@H](O)c1ccsc1 Amb27652868 [0,2,0,0,0,0|2,0,0]=4 5835 B9R1.11 C=C[C@H](O)c1ccsc1 Amb27405223 [0,2,0,0,0,0|2,0,0]=4 5836 B9R1.11 CC(=[N+]=[N-])c1ccco1 Amb28368730 [0,2,0,0,0,0|1,0,1]=4 5837 B9R1.11 CC(C#N)c1ccco1 Amb8950020 [0,2,0,0,0,0|1,0,0]=3 5838 B9R1.11 CC(C#N)c1cccs1 Amb17089237 [0,2,0,0,0,0|1,1,0]=4 5839 B9R1.11 CC(C#N)c1cnco1 Amb33415272 [0,2,0,0,0,0|2,0,0]=4 5840 B9R1.11 CC(C#N)c1ncco1 Amb27792557 [0,2,0,0,0,0|2,0,0]=4 5841 B9R1.11 CC(C=O)c1ccco1 Amb18642174 [0,2,0,0,0,0|0,0,1]=3 5842 B9R1.11 CC(C=O)c1cccs1 Amb17138391 [0,2,0,0,0,0|0,1,1]=4 5843 B9R1.11 CC(C=O)c1cnco1 Amb33295068 [0,2,0,0,0,0|1,0,1]=4 5844 B9R1.11 CC(CBr)c1ccco1 Amb33262828 [0,2,0,0,0,0|1,0,0]=3 5845 B9R1.11 CC(CBr)c1cccs1 Amb17238292 [0,2,0,0,0,0|1,1,0]=4 5846 B9R1.11 CC(CBr)c1cnco1 Amb33335803 [0,2,0,0,0,0|2,0,0]=4 5847 B9R1.11 CC(CCl)c1cccs1 Amb17232346 [0,2,0,0,0,0|1,1,0]=4 5848 B9R1.11 CC(CN)c1ccco1 Amb8950118 [0,2,0,0,0,0|1,0,0]=3 5849 B9R1.11 CC(CN)c1cccs1 Amb4056911 [0,2,0,0,0,0|1,1,0]=4 5850 B9R1.11 CC(CN)c1cnco1 Amb26456529 [0,2,0,0,0,0|2,0,0]=4 5851 B9R1.11 CC(CO)=C1C=CC=C1 Amb27981717 [0,2,0,0,0,0|1,0,0]=3 5852 B9R1.11 CC(CO)C1=CCC=C1 Amb27981767 [0,2,0,0,0,0|1,0,1]=4 5853 B9R1.11 CC(CO)C1C=CCO1 Amb27768526 [0,2,0,0,0,0|0,0,2]=4 5854 B9R1.11 CC(CO)c1cccs1 Amb17231948 [0,2,0,0,0,0|0,1,0]=3 5855 B9R1.11 CC(CO)c1ccoc1 Amb28397230 [0,2,0,0,0,0|2,0,0]=4 5856 B9R1.11 CC(CO)c1cnco1 Amb33295059 [0,2,0,0,0,0|1,0,0]=3 5857 B9R1.11 CC(CO)n1cccc1 Amb26480143 [0,2,0,0,0,0|2,0,0]=4 5858 B9R1.11 CC(CO)n1cccn1 Amb8428168 [0,2,0,0,0,0|2,0,0]=4 5859 B9R1.11 CC(NN)c1ccco1 Amb6251505 [0,2,0,0,0,0|1,0,0]=3 5860 B9R1.11 CC(NO)c1ccco1 Amb10605011 [0,2,0,0,0,0|0,0,0]=2 5861 B9R1.11 CC(NO)c1cccs1 Amb10606933 [0,2,0,0,0,0|0,1,0]=3 5862 B9R1.11 CC(NO)c1nccs1 Amb27606913 [0,2,0,0,0,0|1,1,0]=4 5863 B9R1.11 CC(ON)c1ccco1 Amb33360961 [0,2,0,0,0,0|0,0,0]=2 5864 B9R1.11 CC(ON)c1cccs1 Amb17089184 [0,2,0,0,0,0|0,1,0]=3 5865 B9R1.11 CC(ON)c1ccoc1 Amb33360615 [0,2,0,0,0,0|2,0,0]=4 5866 B9R1.11 CC(ON)c1ccon1 Amb33198319 [0,2,0,0,0,0|2,0,0]=4 5867 B9R1.11 CC(ON)c1ccsc1 Amb33428928 [0,2,0,0,0,0|2,0,0]=4 5868 B9R1.11 CC(ON)c1cnco1 Amb33414829 [0,2,0,0,0,0|1,0,0]=3 5869 B9R1.11 CC(ON)c1cncs1 Amb33269150 [0,2,0,0,0,0|1,1,0]=4 5870 B9R1.11 CC(ON)c1cscn1 Amb33418187 [0,2,0,0,0,0|2,0,0]=4 5871 B9R1.11 CC(ON)c1nccs1 Amb33311516 [0,2,0,0,0,0|1,1,0]=4 5872 B9R1.11 CCC(=O)c1ccco1 Amb844124 [0,2,0,0,0,0|1,0,0]=3 5873 B9R1.11 CCC(=O)c1cccs1 Amb2690591 [0,2,0,0,0,0|1,1,0]=4 5874 B9R1.11 CCC(=O)c1cnco1 Amb33328540 [0,2,0,0,0,0|2,0,0]=4 5875 B9R1.11 CCC(C)c1cnco1 Amb35647922 [0,2,0,0,0,0|2,0,0]=4 5876 B9R1.11 CCC(Cl)c1ccco1 Amb17138399 [0,2,0,0,0,0|1,0,0]=3 5877 B9R1.11 CCC(Cl)c1cccs1 Amb17138515 [0,2,0,0,0,0|1,1,0]=4 5878 B9R1.11 CCC(N)c1ccco1 Amb17061211 [0,2,0,0,0,0|1,0,0]=3 5879 B9R1.11 CCC(N)c1ccco1 Amb35745739 [0,2,0,0,0,0|1,0,0]=3 5880 B9R1.11 CCC(N)c1cccs1 Amb10609665 [0,2,0,0,0,0|1,1,0]=4 5881 B9R1.11 CCC(N)c1cccs1 Amb9703567 [0,2,0,0,0,0|1,1,0]=4 5882 B9R1.11 CCC(N)c1ccno1 Amb18832755 [0,2,0,0,0,0|2,0,0]=4 5883 B9R1.11 CCC(N)c1cnco1 Amb27768692 [0,2,0,0,0,0|2,0,0]=4 5884 B9R1.11 CCC(O)c1ccco1 Amb17138369 [0,2,0,0,0,0|0,0,0]=2 5885 B9R1.11 CCC(O)c1cccs1 Amb9358389 [0,2,0,0,0,0|0,1,0]=3 5886 B9R1.11 CCC(O)c1ccno1 Amb27946779 [0,2,0,0,0,0|1,0,0]=3 5887 B9R1.11 CCC(O)c1ccoc1 Amb27397356 [0,2,0,0,0,0|2,0,0]=4 5888 B9R1.11 CCC(O)c1cnco1 Amb33328541 [0,2,0,0,0,0|1,0,0]=3 5889 B9R1.11 CCC(O)c1cscn1 Amb27962619 [0,2,0,0,0,0|2,0,0]=4 5890 B9R1.11 CCC(O)c1nccs1 Amb19649356 [0,2,0,0,0,0|1,1,0]=4 5891 B9R1.11 CCC(O)n1cccc1 Amb28189484 [0,2,0,0,0,0|2,0,0]=4 5892 B9R1.11 CCC(S)c1ccco1 Amb27621419 [0,2,0,0,0,0|0,1,0]=3 5893 B9R1.11 CCC(S)c1cccs1 Amb18787791 [0,2,0,0,0,0|0,2,0]=4 5894 B9R1.11 CCS(=O)c1cccs1 Amb27590898 [0,2,0,0,0,0|1,1,0]=4 5895 B9R1.11 CC[C@@H](N)c1cccs1 Amb24666373 [0,2,0,0,0,0|1,1,0]=4 5896 B9R1.11 CC[C@@H](N)c1cccs1 Amb33204429 [0,2,0,0,0,0|1,1,0]=4 5897 B9R1.11 CC[C@H](N)c1ccco1 Amb27946499 [0,2,0,0,0,0|1,0,0]=3 5898 B9R1.11 CC[C@H](N)c1cccs1 Amb26407222 [0,2,0,0,0,0|1,1,0]=4 5899 B9R1.11 CC[C@H](N)c1cccs1 Amb33313563 [0,2,0,0,0,0|1,1,0]=4 5900 B9R1.11 CC[C@H](O)c1ccco1 Amb27970619 [0,2,0,0,0,0|0,0,0]=2 5901 B9R1.11 CC[C@H](O)c1cccs1 Amb27837491 [0,2,0,0,0,0|0,1,0]=3 5902 B9R1.11 CC[C@H](O)c1ccsc1 Amb27838764 [0,2,0,0,0,0|2,0,0]=4 5903 B9R1.11 CC[C@H](O)c1cncs1 Amb28198759 [0,2,0,0,0,0|1,1,0]=4 5904 B9R1.11 CC[SiH](C)c1ccco1 Amb27849145 [0,2,0,0,0,0|1,0,0]=3 5905 B9R1.11 CNC(=O)c1ccco1 Amb2612183 [0,2,0,0,0,0|0,0,2]=4 5906 B9R1.11 CNC(C)c1ccco1 Amb9707940 [0,2,0,0,0,0|1,0,0]=3 5907 B9R1.11 CNC(C)c1cccs1 Amb1799863 [0,2,0,0,0,0|1,1,0]=4 5908 B9R1.11 CNC(C)c1cccs1 Amb6344854 [0,2,0,0,0,0|1,1,0]=4 5909 B9R1.11 CNC(O)c1cccs1 Amb27637082 [0,2,0,0,0,0|0,1,0]=3 5910 B9R1.11 COC(=N)c1cccs1 Amb17621680 [0,2,0,0,0,0|0,1,1]=4 5911 B9R1.11 COC(=O)c1ccco1 Amb4302709 [0,2,0,0,0,0|0,0,1]=3 5912 B9R1.11 COC(=O)c1cccs1 Amb1911537 [0,2,0,0,0,0|0,1,1]=4 5913 B9R1.11 COC(=O)c1ccno1 Amb4450531 [0,2,0,0,0,0|1,0,1]=4 5914 B9R1.11 COC(=O)c1cnco1 Amb21520455 [0,2,0,0,0,0|1,0,1]=4 5915 B9R1.11 COC(=O)c1ncco1 Amb22001762 [0,2,0,0,0,0|1,0,1]=4 5916 B9R1.11 COC(=S)c1cccs1 Amb27782424 [0,2,0,0,0,0|0,1,1]=4 5917 B9R1.11 COC(C)c1cnco1 Amb35652469 [0,2,0,0,0,0|1,0,0]=3 5918 B9R1.11 COC(O)c1ccno1 Amb28051774 [0,2,0,0,0,0|1,0,0]=3 5919 B9R1.11 C[C@@H](CO)C1=CCC=C1 Amb27959624 [0,2,0,0,0,0|1,0,1]=4 5920 B9R1.11 C[C@@H](CO)c1ccoc1 Amb27470896 [0,2,0,0,0,0|2,0,0]=4 5921 B9R1.11 C[C@H](CO)c1ccsc1 Amb28315476 [0,2,0,0,0,0|2,0,0]=4 5922 B9R1.11 C\C(=N/O)c1ccco1 Amb6739803 [0,2,0,0,0,0|0,0,1]=3 5923 B9R1.11 C\C(=N/O)c1cccs1 Amb6355845 [0,2,0,0,0,0|0,1,1]=4 5924 B9R1.11 C\C(=N\O)c1ccco1 Amb4018078 [0,2,0,0,0,0|0,0,1]=3 5925 B9R1.11 C\C(=N\O)c1cccs1 Amb4020390 [0,2,0,0,0,0|0,1,1]=4 5926 B9R1.11 C\N=C(/Cl)c1ccco1 Amb30585147 [0,2,0,0,0,0|1,0,1]=4 5927 B9R1.11 C\N=C(\Cl)c1ccco1 Amb2371268 [0,2,0,0,0,0|1,0,1]=4 5928 B9R1.11 N#CC(=O)c1ccco1 Amb17231835 [0,2,0,0,0,0|0,0,2]=4 5929 B9R1.11 N#CC(N)c1ccco1 Amb1108460 [0,2,0,0,0,0|1,0,0]=3 5930 B9R1.11 N#CC(N)c1cccs1 Amb1108134 [0,2,0,0,0,0|1,1,0]=4 5931 B9R1.11 N#CC(N)c1cccs1 Amb7969839 [0,2,0,0,0,0|1,1,0]=4 5932 B9R1.11 N#CC(N)c1ncco1 Amb27442083 [0,2,0,0,0,0|2,0,0]=4 5933 B9R1.11 N#CC(O)c1ccco1 Amb27857638 [0,2,0,0,0,0|0,0,0]=2 5934 B9R1.11 N#CC(O)c1cccs1 Amb27607047 [0,2,0,0,0,0|0,1,0]=3 5935 B9R1.11 N#CC(O)c1ccns1 Amb26052903 [0,2,0,0,0,0|1,1,0]=4 5936 B9R1.11 N#CC(O)c1ccsc1 Amb9295050 [0,2,0,0,0,0|2,0,0]=4 5937 B9R1.11 N#CC(O)c1cnco1 Amb27771474 [0,2,0,0,0,0|1,0,0]=3 5938 B9R1.11 N#C[C@@H](N)c1ccco1 Amb28254523 [0,2,0,0,0,0|1,0,0]=3 5939 B9R1.11 N#C[C@@H](O)c1ccco1 Amb26858653 [0,2,0,0,0,0|0,0,0]=2 5940 B9R1.11 N#C[C@@H](O)c1cccs1 Amb24658057 [0,2,0,0,0,0|0,1,0]=3 5941 B9R1.11 N#C[C@@H](O)c1ccoc1 Amb26316438 [0,2,0,0,0,0|2,0,0]=4 5942 B9R1.11 N#C[C@@H](O)c1ccsc1 Amb27882476 [0,2,0,0,0,0|2,0,0]=4 5943 B9R1.11 N#C[C@@H](O)c1nccs1 Amb28315479 [0,2,0,0,0,0|1,1,0]=4 5944 B9R1.11 N#C[C@H](O)c1ccco1 Amb24502187 [0,2,0,0,0,0|0,0,0]=2 5945 B9R1.11 N#C[C@H](O)c1cccs1 Amb28422481 [0,2,0,0,0,0|0,1,0]=3 5946 B9R1.11 N#C[C@H](O)c1ccoc1 Amb27883447 [0,2,0,0,0,0|2,0,0]=4 5947 B9R1.11 N#C[C@H](O)c1cnco1 Amb27405243 [0,2,0,0,0,0|1,0,0]=3 5948 B9R1.11 N#C[C@H](O)c1nccs1 Amb28325025 [0,2,0,0,0,0|1,1,0]=4 5949 B9R1.11 N=C(NO)c1ncco1 Amb28051590 [0,2,0,0,0,0|1,0,1]=4 5950 B9R1.11 NC(CF)c1ccco1 Amb27600682 [0,2,0,0,0,0|1,0,0]=3 5951 B9R1.11 NC(CF)c1cccs1 Amb27832587 [0,2,0,0,0,0|1,1,0]=4 5952 B9R1.11 NC(CO)c1ccco1 Amb17231846 [0,2,0,0,0,0|0,0,0]=2 5953 B9R1.11 NC(CO)c1cccs1 Amb17231970 [0,2,0,0,0,0|0,1,0]=3 5954 B9R1.11 NC(CO)c1cccs1 Amb31028985 [0,2,0,0,0,0|0,1,0]=3 5955 B9R1.11 NC(CO)c1ccns1 Amb35681051 [0,2,0,0,0,0|1,1,0]=4 5956 B9R1.11 NC(CO)c1ccoc1 Amb25779755 [0,2,0,0,0,0|2,0,0]=4 5957 B9R1.11 NC(CO)c1ccon1 Amb33198802 [0,2,0,0,0,0|2,0,0]=4 5958 B9R1.11 NC(CO)c1ccsc1 Amb18281700 [0,2,0,0,0,0|2,0,0]=4 5959 B9R1.11 NC(CO)c1cnco1 Amb22713444 [0,2,0,0,0,0|1,0,0]=3 5960 B9R1.11 NC(CO)c1cncs1 Amb18831492 [0,2,0,0,0,0|1,1,0]=4 5961 B9R1.11 NC(CO)c1cscn1 Amb18831491 [0,2,0,0,0,0|2,0,0]=4 5962 B9R1.11 NC(CO)c1ncco1 Amb32796178 [0,2,0,0,0,0|1,0,0]=3 5963 B9R1.11 NC(CO)c1nccs1 Amb25188940 [0,2,0,0,0,0|1,1,0]=4 5964 B9R1.11 NCC(=O)c1ccco1 Amb18642269 [0,2,0,0,0,0|1,0,0]=3 5965 B9R1.11 NCC(=O)c1ccco1 Amb19373982 [0,2,0,0,0,0|1,0,0]=3 5966 B9R1.11 NCC(=O)c1cccs1 Amb1286169 [0,2,0,0,0,0|1,1,0]=4 5967 B9R1.11 NCC(=O)c1cccs1 Amb5739529 [0,2,0,0,0,0|1,1,0]=4 5968 B9R1.11 NCC(=O)c1cnco1 Amb18832770 [0,2,0,0,0,0|2,0,0]=4 5969 B9R1.11 NCC(F)c1ccco1 Amb24573586 [0,2,0,0,0,0|1,0,0]=3 5970 B9R1.11 NCC(F)c1cccs1 Amb25842892 [0,2,0,0,0,0|1,1,0]=4 5971 B9R1.11 NCC(F)c1cnco1 Amb33414850 [0,2,0,0,0,0|2,0,0]=4 5972 B9R1.11 NCC(N)c1ccco1 Amb9380727 [0,2,0,0,0,0|1,0,0]=3 5973 B9R1.11 NCC(O)C1C=CCO1 Amb27756819 [0,2,0,0,0,0|0,0,2]=4 5974 B9R1.11 NCC(O)c1ccco1 Amb9703775 [0,2,0,0,0,0|0,0,0]=2 5975 B9R1.11 NCC(O)c1cccs1 Amb9703659 [0,2,0,0,0,0|0,1,0]=3 5976 B9R1.11 NCC(O)c1ccns1 Amb27969555 [0,2,0,0,0,0|1,1,0]=4 5977 B9R1.11 NCC(O)c1ccoc1 Amb22642021 [0,2,0,0,0,0|2,0,0]=4 5978 B9R1.11 NCC(O)c1ccon1 Amb18832641 [0,2,0,0,0,0|2,0,0]=4 5979 B9R1.11 NCC(O)c1ccsc1 Amb1108450 [0,2,0,0,0,0|2,0,0]=4 5980 B9R1.11 NCC(O)c1ccsn1 Amb27452771 [0,2,0,0,0,0|2,0,0]=4 5981 B9R1.11 NCC(O)c1cnco1 Amb18832635 [0,2,0,0,0,0|1,0,0]=3 5982 B9R1.11 NCC(O)c1cncs1 Amb2592497 [0,2,0,0,0,0|1,1,0]=4 5983 B9R1.11 NCC(O)c1cncs1 Amb30231626 [0,2,0,0,0,0|1,1,0]=4 5984 B9R1.11 NCC(O)c1cscn1 Amb18831493 [0,2,0,0,0,0|2,0,0]=4 5985 B9R1.11 NCC(O)c1nccs1 Amb8009869 [0,2,0,0,0,0|1,1,0]=4 5986 B9R1.11 NCC(O)c1ncno1 Amb28289080 [0,2,0,0,0,0|2,0,0]=4 5987 B9R1.11 NC[C@@H](N)c1ccco1 Amb27768645 [0,2,0,0,0,0|1,0,0]=3 5988 B9R1.11 NC[C@@H](O)[C@@H]1C=CCO1 Amb27205075 [0,2,0,0,0,0|0,0,2]=4 5989 B9R1.11 NC[C@@H](O)c1ccco1 Amb22747769 [0,2,0,0,0,0|0,0,0]=2 5990 B9R1.11 NC[C@@H](O)c1cccs1 Amb25804883 [0,2,0,0,0,0|0,1,0]=3 5991 B9R1.11 NC[C@@H](O)c1ccoc1 Amb33361228 [0,2,0,0,0,0|2,0,0]=4 5992 B9R1.11 NC[C@@H](O)c1ccon1 Amb33198334 [0,2,0,0,0,0|2,0,0]=4 5993 B9R1.11 NC[C@@H](O)c1ccsc1 Amb26950004 [0,2,0,0,0,0|2,0,0]=4 5994 B9R1.11 NC[C@@H](O)c1cnco1 Amb33414848 [0,2,0,0,0,0|1,0,0]=3 5995 B9R1.11 NC[C@@H](O)c1cncs1 Amb33269159 [0,2,0,0,0,0|1,1,0]=4 5996 B9R1.11 NC[C@@H](O)c1cscn1 Amb33418192 [0,2,0,0,0,0|2,0,0]=4 5997 B9R1.11 NC[C@@H](O)c1nccs1 Amb25889803 [0,2,0,0,0,0|1,1,0]=4 5998 B9R1.11 NC[C@H](N)c1cccs1 Amb27800048 [0,2,0,0,0,0|1,1,0]=4 5999 B9R1.11 NC[C@H](O)c1ccco1 Amb26981556 [0,2,0,0,0,0|0,0,0]=2 6000 B9R1.11 NC[C@H](O)c1cccs1 Amb26419255 [0,2,0,0,0,0|0,1,0]=3 6001 B9R1.11 NC[C@H](O)c1ccoc1 Amb33361229 [0,2,0,0,0,0|2,0,0]=4 6002 B9R1.11 NC[C@H](O)c1ccon1 Amb33198313 [0,2,0,0,0,0|2,0,0]=4 6003 B9R1.11 NC[C@H](O)c1ccsc1 Amb25828147 [0,2,0,0,0,0|2,0,0]=4 6004 B9R1.11 NC[C@H](O)c1cnco1 Amb33414849 [0,2,0,0,0,0|1,0,0]=3 6005 B9R1.11 NC[C@H](O)c1cncs1 Amb33269160 [0,2,0,0,0,0|1,1,0]=4 6006 B9R1.11 NC[C@H](O)c1cscn1 Amb33418198 [0,2,0,0,0,0|2,0,0]=4 6007 B9R1.11 NC[C@H](O)c1nccs1 Amb26875706 [0,2,0,0,0,0|1,1,0]=4 6008 B9R1.11 NNC(=O)c1ccco1 Amb6364758 [0,2,0,0,0,0|0,0,2]=4 6009 B9R1.11 N[C@@H](CO)c1ccco1 Amb28073962 [0,2,0,0,0,0|0,0,0]=2 6010 B9R1.11 N[C@@H](CO)c1cccs1 Amb26057259 [0,2,0,0,0,0|0,1,0]=3 6011 B9R1.11 N[C@@H](CO)c1ccoc1 Amb24680984 [0,2,0,0,0,0|2,0,0]=4 6012 B9R1.11 N[C@@H](CO)c1ccon1 Amb33198332 [0,2,0,0,0,0|2,0,0]=4 6013 B9R1.11 N[C@@H](CO)c1ccsc1 Amb25254855 [0,2,0,0,0,0|2,0,0]=4 6014 B9R1.11 N[C@@H](CO)c1cnco1 Amb33415548 [0,2,0,0,0,0|1,0,0]=3 6015 B9R1.11 N[C@@H](CO)c1cncs1 Amb33269152 [0,2,0,0,0,0|1,1,0]=4 6016 B9R1.11 N[C@@H](CO)c1cscn1 Amb27838529 [0,2,0,0,0,0|2,0,0]=4 6017 B9R1.11 N[C@@H](CO)c1nccs1 Amb25224968 [0,2,0,0,0,0|1,1,0]=4 6018 B9R1.11 N[C@H](CF)c1ccco1 Amb28384607 [0,2,0,0,0,0|1,0,0]=3 6019 B9R1.11 N[C@H](CO)C1=NC=CC1 Amb27624411 [0,2,0,0,0,0|1,0,1]=4 6020 B9R1.11 N[C@H](CO)c1ccco1 Amb26901992 [0,2,0,0,0,0|0,0,0]=2 6021 B9R1.11 N[C@H](CO)c1cccs1 Amb25959092 [0,2,0,0,0,0|0,1,0]=3 6022 B9R1.11 N[C@H](CO)c1ccoc1 Amb26505857 [0,2,0,0,0,0|2,0,0]=4 6023 B9R1.11 N[C@H](CO)c1ccon1 Amb33198333 [0,2,0,0,0,0|2,0,0]=4 6024 B9R1.11 N[C@H](CO)c1ccsc1 Amb27654236 [0,2,0,0,0,0|2,0,0]=4 6025 B9R1.11 N[C@H](CO)c1cnco1 Amb33414847 [0,2,0,0,0,0|1,0,0]=3 6026 B9R1.11 N[C@H](CO)c1cncs1 Amb33269158 [0,2,0,0,0,0|1,1,0]=4 6027 B9R1.11 N[C@H](CO)c1cscn1 Amb27838556 [0,2,0,0,0,0|2,0,0]=4 6028 B9R1.11 N[C@H](CO)c1nccs1 Amb24727007 [0,2,0,0,0,0|1,1,0]=4 6029 B9R1.11 N\C(=N/O)c1ccco1 Amb22587188 [0,2,0,0,0,0|0,0,1]=3 6030 B9R1.11 N\C(=N/O)c1ccco1 Amb8831731 [0,2,0,0,0,0|0,0,1]=3 6031 B9R1.11 N\C(=N/O)c1cccs1 Amb6384078 [0,2,0,0,0,0|0,1,1]=4 6032 B9R1.11 N\C(=N\O)c1ccco1 Amb2696503 [0,2,0,0,0,0|0,0,1]=3 6033 B9R1.11 N\C(=N\O)c1cccs1 Amb1106021 [0,2,0,0,0,0|0,1,1]=4 6034 B9R1.11 N\C(=N\O)c1ccno1 Amb22292334 [0,2,0,0,0,0|1,0,1]=4 6035 B9R1.11 O=C(CBr)c1ccco1 Amb2721798 [0,2,0,0,0,0|1,0,0]=3 6036 B9R1.11 O=C(CBr)c1cccs1 Amb2720497 [0,2,0,0,0,0|1,1,0]=4 6037 B9R1.11 O=C(CCl)c1ccco1 Amb17138398 [0,2,0,0,0,0|1,0,0]=3 6038 B9R1.11 O=C(CCl)c1cccs1 Amb2686490 [0,2,0,0,0,0|1,1,0]=4 6039 B9R1.11 O=C(CCl)c1cnco1 Amb22011645 [0,2,0,0,0,0|2,0,0]=4 6040 B9R1.11 O=C(CCl)c1ncco1 Amb22904306 [0,2,0,0,0,0|2,0,0]=4 6041 B9R1.11 O=C(CF)c1cccs1 Amb21964939 [0,2,0,0,0,0|1,1,0]=4 6042 B9R1.11 O=C(CI)c1cccs1 Amb28368856 [0,2,0,0,0,0|1,1,0]=4 6043 B9R1.11 O=C(CO)c1ccco1 Amb17689139 [0,2,0,0,0,0|0,0,0]=2 6044 B9R1.11 O=C(CO)c1cccs1 Amb25742219 [0,2,0,0,0,0|0,1,0]=3 6045 B9R1.11 O=C(CS)c1cccs1 Amb17400035 [0,2,0,0,0,0|0,2,0]=4 6046 B9R1.11 O=C(NO)c1ccco1 Amb6270335 [0,2,0,0,0,0|0,0,1]=3 6047 B9R1.11 O=C(NO)c1cccs1 Amb1151586 [0,2,0,0,0,0|0,1,1]=4 6048 B9R1.11 O=C(NO)c1ccno1 Amb27448090 [0,2,0,0,0,0|1,0,1]=4 6049 B9R1.11 O=C(O[Cu])c1cccs1 Amb13890298 [0,2,0,0,0,0|0,1,1]=4 6050 B9R1.11 O=C(O[Na])c1cccs1 Amb3150403 [0,2,0,0,0,0|0,1,1]=4 6051 B9R1.11 O=CC(=O)c1ccco1 Amb17593264 [0,2,0,0,0,0|0,0,2]=4 6052 B9R1.11 O=CC(Cl)c1cccs1 Amb27246769 [0,2,0,0,0,0|0,1,1]=4 6053 B9R1.11 O=CC(O)c1ccsn1 Amb27478296 [0,2,0,0,0,0|2,0,0]=4 6054 B9R1.11 O=CC(O)c1cncs1 Amb30026644 [0,2,0,0,0,0|1,1,0]=4 6055 B9R1.11 OC(CBr)c1ccco1 Amb26443731 [0,2,0,0,0,0|0,0,0]=2 6056 B9R1.11 OC(CBr)c1cccs1 Amb17206127 [0,2,0,0,0,0|0,1,0]=3 6057 B9R1.11 OC(CBr)c1ccoc1 Amb33451439 [0,2,0,0,0,0|2,0,0]=4 6058 B9R1.11 OC(CBr)c1ccon1 Amb33334986 [0,2,0,0,0,0|2,0,0]=4 6059 B9R1.11 OC(CBr)c1ccsc1 Amb25921174 [0,2,0,0,0,0|2,0,0]=4 6060 B9R1.11 OC(CBr)c1cnco1 Amb33335677 [0,2,0,0,0,0|1,0,0]=3 6061 B9R1.11 OC(CBr)c1cncs1 Amb27409536 [0,2,0,0,0,0|1,1,0]=4 6062 B9R1.11 OC(CBr)c1cscn1 Amb33335979 [0,2,0,0,0,0|2,0,0]=4 6063 B9R1.11 OC(CBr)c1nccs1 Amb26341820 [0,2,0,0,0,0|1,1,0]=4 6064 B9R1.11 OC(CCl)c1ccco1 Amb25990622 [0,2,0,0,0,0|0,0,0]=2 6065 B9R1.11 OC(CCl)c1cccs1 Amb17194470 [0,2,0,0,0,0|0,1,0]=3 6066 B9R1.11 OC(CCl)c1ccoc1 Amb33052602 [0,2,0,0,0,0|2,0,0]=4 6067 B9R1.11 OC(CCl)c1ccon1 Amb33259846 [0,2,0,0,0,0|2,0,0]=4 6068 B9R1.11 OC(CCl)c1ccsc1 Amb28461031 [0,2,0,0,0,0|2,0,0]=4 6069 B9R1.11 OC(CCl)c1cncs1 Amb33056652 [0,2,0,0,0,0|1,1,0]=4 6070 B9R1.11 OC(CCl)c1nccs1 Amb24415239 [0,2,0,0,0,0|1,1,0]=4 6071 B9R1.11 OC(CCl)n1cccn1 Amb27668840 [0,2,0,0,0,0|2,0,0]=4 6072 B9R1.11 OC(CF)c1ccco1 Amb33360953 [0,2,0,0,0,0|0,0,0]=2 6073 B9R1.11 OC(CF)c1cccs1 Amb33360698 [0,2,0,0,0,0|0,1,0]=3 6074 B9R1.11 OC(CF)c1ccoc1 Amb33360438 [0,2,0,0,0,0|2,0,0]=4 6075 B9R1.11 OC(CF)c1ccon1 Amb33197565 [0,2,0,0,0,0|2,0,0]=4 6076 B9R1.11 OC(CF)c1ccsc1 Amb33428920 [0,2,0,0,0,0|2,0,0]=4 6077 B9R1.11 OC(CF)c1cnco1 Amb33414807 [0,2,0,0,0,0|1,0,0]=3 6078 B9R1.11 OC(CF)c1cncs1 Amb33269135 [0,2,0,0,0,0|1,1,0]=4 6079 B9R1.11 OC(CF)c1cscn1 Amb33417856 [0,2,0,0,0,0|2,0,0]=4 6080 B9R1.11 OC(CF)c1nccs1 Amb33310380 [0,2,0,0,0,0|1,1,0]=4 6081 B9R1.11 OCC(Br)C1C=CCO1 Amb28285282 [0,2,0,0,0,0|0,0,2]=4 6082 B9R1.11 OCC(F)c1cccs1 Amb27441548 [0,2,0,0,0,0|0,1,0]=3 6083 B9R1.11 OCC(O)C1C=CCO1 Amb27405165 [0,2,0,0,0,0|0,0,2]=4 6084 B9R1.11 OCC(O)c1ccco1 Amb27160718 [0,2,0,0,0,0|0,0,0]=2 6085 B9R1.11 OCC(O)c1cccs1 Amb18063817 [0,2,0,0,0,0|0,1,0]=3 6086 B9R1.11 OCC(O)c1ccns1 Amb30017509 [0,2,0,0,0,0|1,1,0]=4 6087 B9R1.11 OCC(O)c1ccon1 Amb33197566 [0,2,0,0,0,0|2,0,0]=4 6088 B9R1.11 OCC(O)c1ccsc1 Amb28385067 [0,2,0,0,0,0|2,0,0]=4 6089 B9R1.11 OCC(O)c1cnco1 Amb24354332 [0,2,0,0,0,0|1,0,0]=3 6090 B9R1.11 OCC(O)c1cncs1 Amb28285195 [0,2,0,0,0,0|1,1,0]=4 6091 B9R1.11 OCC(O)c1cscn1 Amb25983591 [0,2,0,0,0,0|2,0,0]=4 6092 B9R1.11 OCC(O)c1cscn1 Amb32757536 [0,2,0,0,0,0|2,0,0]=4 6093 B9R1.11 OCC(O)c1ncco1 Amb32796171 [0,2,0,0,0,0|1,0,0]=3 6094 B9R1.11 OCC(O)c1nccs1 Amb27412511 [0,2,0,0,0,0|1,1,0]=4 6095 B9R1.11 OCC(S)c1ccco1 Amb28199661 [0,2,0,0,0,0|0,0,0]=2 6096 B9R1.11 OC[C@@H](O)[C@@H]1C=CCO1 Amb27857586 [0,2,0,0,0,0|0,0,2]=4 6097 B9R1.11 OC[C@@H](O)c1ccco1 Amb24183799 [0,2,0,0,0,0|0,0,0]=2 6098 B9R1.11 OC[C@@H](O)c1ccoc1 Amb27460888 [0,2,0,0,0,0|2,0,0]=4 6099 B9R1.11 OC[C@H](Br)[C@@H]1C=CCO1 Amb27657467 [0,2,0,0,0,0|0,0,2]=4 6100 B9R1.11 OC[C@H](O)c1cccs1 Amb27396199 [0,2,0,0,0,0|0,1,0]=3 6101 B9R1.11 OC[C@H](O)c1ccoc1 Amb24665741 [0,2,0,0,0,0|2,0,0]=4 6102 B9R1.11 ONC(O)c1ccco1 Amb28207158 [0,2,0,0,0,0|0,0,0]=2 6103 B9R1.11 O[C@@H](CBr)c1cccs1 Amb27392821 [0,2,0,0,0,0|0,1,0]=3 6104 B9R1.11 O[C@@H](CCl)c1ccco1 Amb27493306 [0,2,0,0,0,0|0,0,0]=2 6105 B9R1.11 O[C@H](CBr)c1cccs1 Amb27875659 [0,2,0,0,0,0|0,1,0]=3 6106 B9R1.11 O[C@H](CBr)c1ccsc1 Amb27408174 [0,2,0,0,0,0|2,0,0]=4 6107 B9R1.11 O[C@H](CCl)c1ccco1 Amb27655657 [0,2,0,0,0,0|0,0,0]=2 6108 B9R1.11 O[C@H](CCl)c1cccs1 Amb27811547 [0,2,0,0,0,0|0,1,0]=3 6109 B9R1.11 O[C@H](CCl)c1ccsc1 Amb27668844 [0,2,0,0,0,0|2,0,0]=4 6110 B9R1.11 O[C@H](CCl)c1nccs1 Amb27403016 [0,2,0,0,0,0|1,1,0]=4 6111 B9R1.11 O\C=C(\Cl)c1ccco1 Amb27186090 [0,2,0,0,0,0|0,0,1]=3 6112 B9R1.11 O\N=C(\Cl)c1cccs1 Amb27864158 [0,2,0,0,0,0|0,1,1]=4 6113 B9R1.11 [C-]#[N+]C(C)c1ccco1 Amb3973276 [0,2,0,0,0,0|1,0,0]=3 6114 B9R1.11 [C-]#[N+]C(C)c1cccs1 Amb3973285 [0,2,0,0,0,0|1,1,0]=4 6115 B9R1.11 [C-]#[N+]C(C)c1cnco1 Amb33414855 [0,2,0,0,0,0|2,0,0]=4 6116 B9R1.11 [NH3+]CC(=O)c1cccs1 Amb17848802 [0,2,0,0,0,0|1,1,0]=4 6117 B9R1.19 CC(C)(Br)c1ncco1 Amb27633445 [0,2,0,0,0,0|2,0,0]=4 6118 B9R1.19 CC(C)(C)c1ccco1 Amb22360626 [0,2,0,0,0,0|1,0,0]=3 6119 B9R1.19 CC(C)(C)c1cccs1 Amb2793098 [0,2,0,0,0,0|1,1,0]=4 6120 B9R1.19 CC(C)(C)c1ccno1 Amb4034933 [0,2,0,0,0,0|2,0,0]=4 6121 B9R1.19 CC(C)(C)c1cnco1 Amb25069549 [0,2,0,0,0,0|2,0,0]=4 6122 B9R1.19 CC(C)(C)c1ncco1 Amb17399802 [0,2,0,0,0,0|2,0,0]=4 6123 B9R1.19 CC(C)(Cl)c1cccs1 Amb27193541 [0,2,0,0,0,0|1,1,0]=4 6124 B9R1.19 CC(C)(N)c1ccco1 Amb17078788 [0,2,0,0,0,0|1,0,0]=3 6125 B9R1.19 CC(C)(N)c1cccs1 Amb17078777 [0,2,0,0,0,0|1,1,0]=4 6126 B9R1.19 CC(C)(N)c1ccno1 Amb27963258 [0,2,0,0,0,0|2,0,0]=4 6127 B9R1.19 CC(C)(N)c1cnco1 Amb24420088 [0,2,0,0,0,0|2,0,0]=4 6128 B9R1.19 CC(C)(N)c1ncco1 Amb18832749 [0,2,0,0,0,0|2,0,0]=4 6129 B9R1.19 CC(C)(O)c1ccco1 Amb22749603 [0,2,0,0,0,0|0,0,0]=2 6130 B9R1.19 CC(C)(O)c1cccs1 Amb4314259 [0,2,0,0,0,0|0,1,0]=3 6131 B9R1.19 CC(C)(O)c1ccoc1 Amb25057878 [0,2,0,0,0,0|2,0,0]=4 6132 B9R1.19 CC(C)(O)c1ccon1 Amb33198349 [0,2,0,0,0,0|2,0,0]=4 6133 B9R1.19 CC(C)(O)c1ccsc1 Amb28346036 [0,2,0,0,0,0|2,0,0]=4 6134 B9R1.19 CC(C)(O)c1cnco1 Amb33415245 [0,2,0,0,0,0|1,0,0]=3 6135 B9R1.19 CC(C)(O)c1cncs1 Amb18256917 [0,2,0,0,0,0|1,1,0]=4 6136 B9R1.19 CC(C)(O)c1cscn1 Amb26573859 [0,2,0,0,0,0|2,0,0]=4 6137 B9R1.19 CC(C)(O)c1nccs1 Amb4314261 [0,2,0,0,0,0|1,1,0]=4 6138 B9R1.19 CS(=N)(=O)c1ccco1 Amb33338887 [0,2,0,0,0,0|1,0,1]=4 6139 B9R1.19 CS(=O)(=O)c1ccco1 Amb27400164 [0,2,0,0,0,0|1,0,1]=4 6140 B9R1.19 C[Si](C)(C)c1ccco1 Amb20671355 [0,2,0,0,0,0|1,1,0]=4 6141 B9R1.19 C[Si](C)(O)c1ccco1 Amb22167043 [0,2,0,0,0,0|0,1,0]=3 6142 B9R1.19 C[Si](C)(O)c1cccs1 Amb22167028 [0,2,0,0,0,0|0,2,0]=4 6143 B9R1.19 ClC(Cl)(Cl)c1ccno1 Amb26505798 [0,2,0,0,0,0|2,0,0]=4 6144 B9R1.19 FC(Cl)(Cl)c1ccno1 Amb27444057 [0,2,0,0,0,0|2,0,0]=4 6145 B9R1.19 FC(F)(Cl)c1ccno1 Amb10839890 [0,2,0,0,0,0|2,0,0]=4 6146 B9R1.19 FC(F)(F)c1ccco1 Amb27243829 [0,2,0,0,0,0|1,0,0]=3 6147 B9R1.19 FC(F)(F)c1cccs1 Amb2691049 [0,2,0,0,0,0|1,1,0]=4 6148 B9R1.19 FC(F)(F)c1ccno1 Amb10841129 [0,2,0,0,0,0|2,0,0]=4 6149 B9R1.19 FC(F)(F)c1cnco1 Amb29860951 [0,2,0,0,0,0|2,0,0]=4 6150 B9R1.19 FC(F)(F)c1ncco1 Amb28079229 [0,2,0,0,0,0|2,0,0]=4 6151 B9R1.19 NS(=O)(=O)c1ccco1 Amb24093662 [0,2,0,0,0,0|1,0,1]=4 6152 B9R1.19 O=S(=O)(Cl)c1ccco1 Amb2723040 [0,2,0,0,0,0|1,0,1]=4 6153 B9R1.19 O=S(=O)(F)c1ccco1 Amb26028989 [0,2,0,0,0,0|1,0,1]=4 6154 B9R1.19 O=S(=O)(O)c1cccs1 Amb17672954 [0,2,0,0,0,0|1,1,0]=4 6155 B9R1.19 O[B-](O)(O)c1cccs1 Amb22583820 [0,2,0,0,0,0|1,1,0]=4 6156 B9R1.41 CC(=O)c1occc1Br Amb19374756 [0,2,0,0,0,0|0,0,2]=4 6157 B9R1.41 CC(=O)c1occc1C Amb20668258 [0,2,0,0,0,0|0,0,2]=4 6158 B9R1.41 CC(=O)c1occc1Cl Amb27167140 [0,2,0,0,0,0|0,0,2]=4 6159 B9R1.41 CC(=O)c1occc1N Amb18832859 [0,2,0,0,0,0|0,0,2]=4 6160 B9R1.41 CC(=O)c1occc1O Amb28351437 [0,2,0,0,0,0|0,0,2]=4 6161 B9R1.41 CC(C)c1occc1Br Amb18820654 [0,2,0,0,0,0|1,0,0]=3 6162 B9R1.41 CC(C)c1oncc1Br Amb27203991 [0,2,0,0,0,0|2,0,0]=4 6163 B9R1.41 CC(C)c1oncc1N Amb18642429 [0,2,0,0,0,0|2,0,0]=4 6164 B9R1.41 CC(C)c1oncc1N Amb30585181 [0,2,0,0,0,0|2,0,0]=4 6165 B9R1.41 CC(N)c1cccn1C Amb5722734 [0,2,0,0,0,0|2,0,0]=4 6166 B9R1.41 CC(N)c1occc1Br Amb27768609 [0,2,0,0,0,0|1,0,0]=3 6167 B9R1.41 CC(N)c1occc1Cl Amb27792906 [0,2,0,0,0,0|1,0,0]=3 6168 B9R1.41 CC(N)c1sccc1Br Amb9620855 [0,2,0,0,0,0|1,1,0]=4 6169 B9R1.41 CC(N)c1sccc1Cl Amb26907233 [0,2,0,0,0,0|1,1,0]=4 6170 B9R1.41 CC(N)c1sccc1N Amb27828072 [0,2,0,0,0,0|1,1,0]=4 6171 B9R1.41 CC(O)c1cccn1C Amb25348523 [0,2,0,0,0,0|1,0,0]=3 6172 B9R1.41 CC(O)c1ccnn1C Amb26961603 [0,2,0,0,0,0|2,0,0]=4 6173 B9R1.41 CC(O)c1ccsc1Br Amb25332329 [0,2,0,0,0,0|2,0,0]=4 6174 B9R1.41 CC(O)c1nccn1C Amb22267722 [0,2,0,0,0,0|2,0,0]=4 6175 B9R1.41 CC(O)c1ncsc1Br Amb35662083 [0,2,0,0,0,0|2,0,0]=4 6176 B9R1.41 CC(O)c1nscc1Br Amb35706125 [0,2,0,0,0,0|2,0,0]=4 6177 B9R1.41 CC(O)c1occc1Br Amb28293413 [0,2,0,0,0,0|0,0,0]=2 6178 B9R1.41 CC(O)c1sccc1Cl Amb27838427 [0,2,0,0,0,0|0,1,0]=3 6179 B9R1.41 CC(O)n1nccc1N Amb28061337 [0,2,0,0,0,0|2,0,0]=4 6180 B9R1.41 CC(S)c1sccc1Br Amb32788826 [0,2,0,0,0,0|0,2,0]=4 6181 B9R1.41 CC1=C(C(C)C)CC=C1 Amb27449799 [0,2,0,0,0,0|2,0,0]=4 6182 B9R1.41 C[C@@H](N)c1cccn1C Amb22831455 [0,2,0,0,0,0|2,0,0]=4 6183 B9R1.41 C[C@@H](N)c1occc1Cl Amb27838603 [0,2,0,0,0,0|1,0,0]=3 6184 B9R1.41 C[C@@H](N)c1occc1O Amb27493031 [0,2,0,0,0,0|1,0,0]=3 6185 B9R1.41 C[C@@H](N)c1sccc1Br Amb24429631 [0,2,0,0,0,0|1,1,0]=4 6186 B9R1.41 C[C@@H](N)c1sccc1Cl Amb27975481 [0,2,0,0,0,0|1,1,0]=4 6187 B9R1.41 C[C@@H](N)c1sccc1N Amb27620285 [0,2,0,0,0,0|1,1,0]=4 6188 B9R1.41 C[C@@H](N)c1sccc1O Amb27779882 [0,2,0,0,0,0|1,1,0]=4 6189 B9R1.41 C[C@@H](O)[C@H]1CC=CC1=O Amb27854025 [0,2,0,0,0,0|1,0,1]=4 6190 B9R1.41 C[C@@H](O)c1cccn1C Amb27179780 [0,2,0,0,0,0|1,0,0]=3 6191 B9R1.41 C[C@@H](O)c1ccnn1C Amb26885470 [0,2,0,0,0,0|2,0,0]=4 6192 B9R1.41 C[C@@H](O)c1cncn1C Amb27768803 [0,2,0,0,0,0|2,0,0]=4 6193 B9R1.41 C[C@@H](O)c1nccn1C Amb25923996 [0,2,0,0,0,0|2,0,0]=4 6194 B9R1.41 C[C@@H](O)c1sccc1Br Amb27834430 [0,2,0,0,0,0|0,1,0]=3 6195 B9R1.41 C[C@@H](O)c1sccc1Cl Amb27978899 [0,2,0,0,0,0|0,1,0]=3 6196 B9R1.41 C[C@H](N)c1cccn1C Amb26327046 [0,2,0,0,0,0|2,0,0]=4 6197 B9R1.41 C[C@H](N)c1occc1Br Amb27646307 [0,2,0,0,0,0|1,0,0]=3 6198 B9R1.41 C[C@H](N)c1occc1N Amb27948109 [0,2,0,0,0,0|1,0,0]=3 6199 B9R1.41 C[C@H](N)c1occc1O Amb27838437 [0,2,0,0,0,0|1,0,0]=3 6200 B9R1.41 C[C@H](N)c1sccc1Br Amb26557953 [0,2,0,0,0,0|1,1,0]=4 6201 B9R1.41 C[C@H](N)c1sccc1Cl Amb26354987 [0,2,0,0,0,0|1,1,0]=4 6202 B9R1.41 C[C@H](N)c1sccc1I Amb27962883 [0,2,0,0,0,0|1,1,0]=4 6203 B9R1.41 C[C@H](O)c1cccn1C Amb27805042 [0,2,0,0,0,0|1,0,0]=3 6204 B9R1.41 C[C@H](O)c1ccnn1C Amb27835648 [0,2,0,0,0,0|2,0,0]=4 6205 B9R1.41 C[C@H](O)c1cncn1C Amb26047662 [0,2,0,0,0,0|2,0,0]=4 6206 B9R1.41 C[C@H](O)c1nccn1C Amb26340398 [0,2,0,0,0,0|2,0,0]=4 6207 B9R1.41 C[C@H](O)c1sccc1Br Amb26038653 [0,2,0,0,0,0|0,1,0]=3 6208 B9R1.41 C[C@H](O)c1sccc1Cl Amb24363179 [0,2,0,0,0,0|0,1,0]=3 6209 B9R1.41 C\C(O)=C1\OC=CC1=O Amb25686104 [0,2,0,0,0,0|0,0,1]=3 6210 B9R1.41 Cc1ccoc1C(=N)N Amb24368716 [0,2,0,0,0,0|1,0,1]=4 6211 B9R1.41 Cc1ccoc1C(=N)N Amb8630637 [0,2,0,0,0,0|1,0,1]=4 6212 B9R1.41 Cc1ccoc1C(=O)Cl Amb2725685 [0,2,0,0,0,0|0,0,2]=4 6213 B9R1.41 Cc1ccoc1C(=O)O Amb1156943 [0,2,0,0,0,0|0,0,1]=3 6214 B9R1.41 Cc1ccoc1C(C)C Amb28195198 [0,2,0,0,0,0|1,0,0]=3 6215 B9R1.41 Cc1ccoc1C(C)N Amb18203315 [0,2,0,0,0,0|1,0,0]=3 6216 B9R1.41 Cc1ccoc1C(F)F Amb23589862 [0,2,0,0,0,0|1,0,0]=3 6217 B9R1.41 Cc1ccoc1C(N)=O Amb8998946 [0,2,0,0,0,0|0,0,2]=4 6218 B9R1.41 Cc1ccoc1C(N)=S Amb25775196 [0,2,0,0,0,0|0,1,1]=4 6219 B9R1.41 Cc1ccoc1S(=O)O Amb27209285 [0,2,0,0,0,0|1,0,0]=3 6220 B9R1.41 Cc1ccoc1[C@@H](C)N Amb25707081 [0,2,0,0,0,0|1,0,0]=3 6221 B9R1.41 Cc1ccoc1[C@@H](C)O Amb26578606 [0,2,0,0,0,0|0,0,0]=2 6222 B9R1.41 Cc1ccoc1[C@H](C)N Amb26318395 [0,2,0,0,0,0|1,0,0]=3 6223 B9R1.41 Cc1ccoc1[C@H](C)O Amb27653321 [0,2,0,0,0,0|0,0,0]=2 6224 B9R1.41 Cc1ccsc1B(O)O Amb6487342 [0,2,0,0,0,0|1,1,0]=4 6225 B9R1.41 Cc1ccsc1C(=O)O Amb2695360 [0,2,0,0,0,0|0,1,1]=4 6226 B9R1.41 Cc1ccsc1C(C)Cl Amb28049255 [0,2,0,0,0,0|1,1,0]=4 6227 B9R1.41 Cc1ccsc1C(C)N Amb18279251 [0,2,0,0,0,0|1,1,0]=4 6228 B9R1.41 Cc1ccsc1C(C)O Amb24556518 [0,2,0,0,0,0|0,1,0]=3 6229 B9R1.41 Cc1ccsc1C(C)S Amb24505030 [0,2,0,0,0,0|0,2,0]=4 6230 B9R1.41 Cc1ccsc1C(Cl)Cl Amb28121097 [0,2,0,0,0,0|1,1,0]=4 6231 B9R1.41 Cc1ccsc1[C@@H](C)N Amb27235595 [0,2,0,0,0,0|1,1,0]=4 6232 B9R1.41 Cc1ccsc1[C@@H](C)O Amb25842069 [0,2,0,0,0,0|0,1,0]=3 6233 B9R1.41 Cc1ccsc1[C@H](C)N Amb25710219 [0,2,0,0,0,0|1,1,0]=4 6234 B9R1.41 Cc1ccsc1[C@H](C)O Amb25088944 [0,2,0,0,0,0|0,1,0]=3 6235 B9R1.41 Cc1cnoc1C(=O)O Amb10071410 [0,2,0,0,0,0|1,0,1]=4 6236 B9R1.41 Cc1cnoc1C(Cl)Cl Amb25268032 [0,2,0,0,0,0|2,0,0]=4 6237 B9R1.41 Cc1cocc1C(C)O Amb27184714 [0,2,0,0,0,0|2,0,0]=4 6238 B9R1.41 Cc1cscc1C(C)O Amb27494376 [0,2,0,0,0,0|2,0,0]=4 6239 B9R1.41 Cc1cscc1[C@@H](C)O Amb27441437 [0,2,0,0,0,0|2,0,0]=4 6240 B9R1.41 Cc1cscc1[C@H](C)O Amb24671755 [0,2,0,0,0,0|2,0,0]=4 6241 B9R1.41 Cc1ncoc1C(=O)O Amb2723146 [0,2,0,0,0,0|1,0,1]=4 6242 B9R1.41 Cc1ncoc1C(C)C Amb27186120 [0,2,0,0,0,0|2,0,0]=4 6243 B9R1.41 Cc1ncoc1C(C)Cl Amb27980512 [0,2,0,0,0,0|2,0,0]=4 6244 B9R1.41 Cc1ncoc1C(C)N Amb18832735 [0,2,0,0,0,0|2,0,0]=4 6245 B9R1.41 Cc1ncoc1C(C)O Amb27208034 [0,2,0,0,0,0|1,0,0]=3 6246 B9R1.41 Cc1ncsc1[C@@H](C)O Amb27479119 [0,2,0,0,0,0|1,1,0]=4 6247 B9R1.41 Cc1ncsc1[C@H](C)O Amb24457287 [0,2,0,0,0,0|1,1,0]=4 6248 B9R1.41 Cc1occc1[C@@H](C)O Amb27768676 [0,2,0,0,0,0|2,0,0]=4 6249 B9R1.41 Cc1occc1[C@H](C)O Amb24403069 [0,2,0,0,0,0|2,0,0]=4 6250 B9R1.41 Cc1scnc1C(C)O Amb28292519 [0,2,0,0,0,0|2,0,0]=4 6251 B9R1.41 Cn1cccc1B(O)O Amb16185674 [0,2,0,0,0,0|2,0,0]=4 6252 B9R1.41 Cn1cccc1C(=O)O Amb1151288 [0,2,0,0,0,0|1,0,1]=4 6253 B9R1.41 Cn1cccc1C(N)O Amb25349340 [0,2,0,0,0,0|1,0,0]=3 6254 B9R1.41 FC(F)c1occc1Br Amb33523350 [0,2,0,0,0,0|1,0,0]=3 6255 B9R1.41 FC(F)c1sccc1Br Amb22008724 [0,2,0,0,0,0|1,1,0]=4 6256 B9R1.41 NC(=O)c1occc1N Amb27882622 [0,2,0,0,0,0|0,0,2]=4 6257 B9R1.41 NC(=O)c1occc1N Amb33624323 [0,2,0,0,0,0|0,0,2]=4 6258 B9R1.41 NC(=S)c1occc1Br Amb28077160 [0,2,0,0,0,0|0,1,1]=4 6259 B9R1.41 Nc1ccoc1C(=O)O Amb18832709 [0,2,0,0,0,0|0,0,1]=3 6260 B9R1.41 Nc1ccsc1C(=O)O Amb19888389 [0,2,0,0,0,0|0,1,1]=4 6261 B9R1.41 Nc1ccsc1C(=O)O Amb2695071 [0,2,0,0,0,0|0,1,1]=4 6262 B9R1.41 Nc1cnoc1C(F)F Amb25811363 [0,2,0,0,0,0|2,0,0]=4 6263 B9R1.41 Nn1cccc1C(=O)O Amb28143308 [0,2,0,0,0,0|1,0,1]=4 6264 B9R1.41 O=C(Cl)c1occc1Br Amb7990095 [0,2,0,0,0,0|0,0,2]=4 6265 B9R1.41 O=C(Cl)c1occc1Cl Amb25147033 [0,2,0,0,0,0|0,0,2]=4 6266 B9R1.41 O=C(Cl)c1occc1I Amb28196414 [0,2,0,0,0,0|0,0,2]=4 6267 B9R1.41 O=C(O)C1=CC=CC1Cl Amb27780445 [0,2,0,0,0,0|1,0,1]=4 6268 B9R1.41 O=C(O)c1occc1Br Amb7990094 [0,2,0,0,0,0|0,0,1]=3 6269 B9R1.41 O=C(O)c1occc1Cl Amb18202245 [0,2,0,0,0,0|0,0,1]=3 6270 B9R1.41 O=C(O)c1occc1F Amb26497027 [0,2,0,0,0,0|0,0,1]=3 6271 B9R1.41 O=C(O)c1sccc1Br Amb2685506 [0,2,0,0,0,0|0,1,1]=4 6272 B9R1.41 O=C(O)c1sccc1Cl Amb2686485 [0,2,0,0,0,0|0,1,1]=4 6273 B9R1.41 O=C(O)c1sccc1F Amb33542984 [0,2,0,0,0,0|0,1,1]=4 6274 B9R1.41 O=C(O)c1sccc1I Amb2688890 [0,2,0,0,0,0|0,1,1]=4 6275 B9R1.41 O=C(O)c1sccc1O Amb10069920 [0,2,0,0,0,0|0,1,1]=4 6276 B9R1.41 O=S([O-])c1occc1Br Amb32755747 [0,2,0,0,0,0|1,0,1]=4 6277 B9R1.41 O=[N+]([O-])c1occc1O Amb27851691 [0,2,0,0,0,0|1,0,1]=4 6278 B9R1.41 O=[N+]([O-])c1occc1S Amb27193387 [0,2,0,0,0,0|1,0,1]=4 6279 B9R1.41 OB(O)c1occc1Br Amb27207479 [0,2,0,0,0,0|1,0,0]=3 6280 B9R1.41 OB(O)c1sccc1Br Amb2793477 [0,2,0,0,0,0|1,1,0]=4 6281 B9R1.41 OB(O)c1sccc1Cl Amb13890311 [0,2,0,0,0,0|1,1,0]=4 6282 B9R1.12 BrCCCc1ccco1 Amb17104550 [0,2,0,0,0,0|1,0,0]=3 6283 B9R1.12 BrCCCc1cccs1 Amb17104551 [0,2,0,0,0,0|1,1,0]=4 6284 B9R1.12 BrCCCc1cnco1 Amb33335808 [0,2,0,0,0,0|2,0,0]=4 6285 B9R1.12 BrCCSc1ccco1 Amb27817680 [0,2,0,0,0,0|1,0,0]=3 6286 B9R1.12 BrCCSc1cccs1 Amb6717251 [0,2,0,0,0,0|1,1,0]=4 6287 B9R1.12 BrC\C=C\c1ccco1 Amb27867174 [0,2,0,0,0,0|1,0,0]=3 6288 B9R1.12 C#CCCc1ccco1 Amb27838602 [0,2,0,0,0,0|1,0,0]=3 6289 B9R1.12 C#CCCc1cccs1 Amb33361313 [0,2,0,0,0,0|1,1,0]=4 6290 B9R1.12 C#CCCc1cnco1 Amb33319934 [0,2,0,0,0,0|2,0,0]=4 6291 B9R1.12 C#CCNc1ncco1 Amb35825484 [0,2,0,0,0,0|2,0,0]=4 6292 B9R1.12 C#CCOc1ccco1 Amb27239981 [0,2,0,0,0,0|1,0,0]=3 6293 B9R1.12 C=CCCc1ccco1 Amb35680299 [0,2,0,0,0,0|1,0,0]=3 6294 B9R1.12 C=CCCc1cccs1 Amb27476978 [0,2,0,0,0,0|1,1,0]=4 6295 B9R1.12 C=CCSc1ncco1 Amb27956580 [0,2,0,0,0,0|2,0,0]=4 6296 B9R1.12 C=NCCc1cccs1 Amb27442437 [0,2,0,0,0,0|1,1,0]=4 6297 B9R1.12 CCCCc1ccco1 Amb10070290 [0,2,0,0,0,0|1,0,0]=3 6298 B9R1.12 CCCCc1cccs1 Amb4477470 [0,2,0,0,0,0|1,1,0]=4 6299 B9R1.12 CCCCc1cnco1 Amb35647888 [0,2,0,0,0,0|2,0,0]=4 6300 B9R1.12 CCCOc1cccs1 Amb27167856 [0,2,0,0,0,0|1,1,0]=4 6301 B9R1.12 CCCSc1ncco1 Amb27837571 [0,2,0,0,0,0|2,0,0]=4 6302 B9R1.12 CCNCc1ccco1 Amb1137312 [0,2,0,0,0,0|1,0,0]=3 6303 B9R1.12 CCNCc1ccco1 Amb8191019 [0,2,0,0,0,0|1,0,0]=3 6304 B9R1.12 CCNCc1cccs1 Amb1088620 [0,2,0,0,0,0|1,1,0]=4 6305 B9R1.12 CCNCc1cccs1 Amb22283900 [0,2,0,0,0,0|1,1,0]=4 6306 B9R1.12 CCNCc1cnco1 Amb18291304 [0,2,0,0,0,0|2,0,0]=4 6307 B9R1.12 CCOCc1ccco1 Amb22234292 [0,2,0,0,0,0|0,0,0]=2 6308 B9R1.12 CCOCc1cnco1 Amb30035677 [0,2,0,0,0,0|1,0,0]=3 6309 B9R1.12 CCOCn1cccc1 Amb27954704 [0,2,0,0,0,0|2,0,0]=4 6310 B9R1.12 CCOCn1cccn1 Amb27461291 [0,2,0,0,0,0|2,0,0]=4 6311 B9R1.12 CCSCc1ccco1 Amb26949169 [0,2,0,0,0,0|0,1,0]=3 6312 B9R1.12 CC\N=C\c1ccco1 Amb27443134 [0,2,0,0,0,0|1,0,0]=3 6313 B9R1.12 CNCCc1ccco1 Amb17399803 [0,2,0,0,0,0|1,0,0]=3 6314 B9R1.12 CNCCc1cccs1 Amb6712648 [0,2,0,0,0,0|1,1,0]=4 6315 B9R1.12 CNCCc1ccno1 Amb28368791 [0,2,0,0,0,0|2,0,0]=4 6316 B9R1.12 CNCCc1cnco1 Amb33415561 [0,2,0,0,0,0|2,0,0]=4 6317 B9R1.12 CNCCc1ncco1 Amb18222315 [0,2,0,0,0,0|2,0,0]=4 6318 B9R1.12 CNNCc1ccco1 Amb27463559 [0,2,0,0,0,0|1,0,0]=3 6319 B9R1.12 COCCC1=CC=CC1 Amb27806849 [0,2,0,0,0,0|1,0,0]=3 6320 B9R1.12 COCCc1ccsc1 Amb27843682 [0,2,0,0,0,0|2,0,0]=4 6321 B9R1.12 COCCc1cnco1 Amb35647935 [0,2,0,0,0,0|1,0,0]=3 6322 B9R1.12 COCCc1cscn1 Amb27809391 [0,2,0,0,0,0|2,0,0]=4 6323 B9R1.12 COCCc1nccs1 Amb27485614 [0,2,0,0,0,0|1,1,0]=4 6324 B9R1.12 COCCn1cccn1 Amb20667698 [0,2,0,0,0,0|2,0,0]=4 6325 B9R1.12 COCSc1ncco1 Amb27205900 [0,2,0,0,0,0|1,0,0]=3 6326 B9R1.12 CONCc1ccno1 Amb28063515 [0,2,0,0,0,0|1,0,0]=3 6327 B9R1.12 CONCc1ccns1 Amb35649963 [0,2,0,0,0,0|1,1,0]=4 6328 B9R1.12 CONCc1ccsc1 Amb27470730 [0,2,0,0,0,0|2,0,0]=4 6329 B9R1.12 CONCc1cocn1 Amb27202502 [0,2,0,0,0,0|2,0,0]=4 6330 B9R1.12 CONCc1cscn1 Amb28192602 [0,2,0,0,0,0|2,0,0]=4 6331 B9R1.12 CO\C=C\c1cccs1 Amb27638492 [0,2,0,0,0,0|0,1,1]=4 6332 B9R1.12 CO\N=C\c1cccs1 Amb27396629 [0,2,0,0,0,0|0,1,1]=4 6333 B9R1.12 CSCCc1ccco1 Amb27438612 [0,2,0,0,0,0|0,1,0]=3 6334 B9R1.12 CSCCc1cccs1 Amb27443874 [0,2,0,0,0,0|0,2,0]=4 6335 B9R1.12 CSCSc1cccs1 Amb28054583 [0,2,0,0,0,0|0,2,0]=4 6336 B9R1.12 CSSCc1ccco1 Amb8393174 [0,2,0,0,0,0|0,1,0]=3 6337 B9R1.12 ClCC#Cc1cccs1 Amb18791793 [0,2,0,0,0,0|1,1,0]=4 6338 B9R1.12 ClCCCc1ccco1 Amb8860563 [0,2,0,0,0,0|1,0,0]=3 6339 B9R1.12 ClCCCc1cccs1 Amb17104524 [0,2,0,0,0,0|1,1,0]=4 6340 B9R1.12 ClCCCc1ccno1 Amb27227468 [0,2,0,0,0,0|2,0,0]=4 6341 B9R1.12 Cl\C=C\Cc1ccco1 Amb27843650 [0,2,0,0,0,0|1,0,0]=3 6342 B9R1.12 FCCSc1cccs1 Amb27218429 [0,2,0,0,0,0|1,1,0]=4 6343 B9R1.12 FCCSc1ncco1 Amb27604159 [0,2,0,0,0,0|2,0,0]=4 6344 B9R1.12 ICCCc1cccs1 Amb27207015 [0,2,0,0,0,0|1,1,0]=4 6345 B9R1.12 N#CC#Cc1ccco1 Amb28143883 [0,2,0,0,0,0|1,0,1]=4 6346 B9R1.12 N#CCCc1ccco1 Amb20623925 [0,2,0,0,0,0|1,0,0]=3 6347 B9R1.12 N#CCCc1cccs1 Amb17226709 [0,2,0,0,0,0|1,1,0]=4 6348 B9R1.12 N#CCCc1cnco1 Amb33415273 [0,2,0,0,0,0|2,0,0]=4 6349 B9R1.12 N#CCNc1ccco1 Amb28247716 [0,2,0,0,0,0|1,0,0]=3 6350 B9R1.12 N#CCSc1cccs1 Amb4330198 [0,2,0,0,0,0|1,1,0]=4 6351 B9R1.12 N#CNCc1ccno1 Amb28049231 [0,2,0,0,0,0|2,0,0]=4 6352 B9R1.12 N#CSCc1ccco1 Amb27162772 [0,2,0,0,0,0|0,1,0]=3 6353 B9R1.12 N#C\C=C/c1ccco1 Amb28200911 [0,2,0,0,0,0|1,0,1]=4 6354 B9R1.12 NCC#Cc1ccco1 Amb27604728 [0,2,0,0,0,0|1,0,0]=3 6355 B9R1.12 NCC#Cc1cccs1 Amb18951280 [0,2,0,0,0,0|1,1,0]=4 6356 B9R1.12 NCCCc1ccco1 Amb534785 [0,2,0,0,0,0|1,0,0]=3 6357 B9R1.12 NCCCc1cccs1 Amb33529119 [0,2,0,0,0,0|1,1,0]=4 6358 B9R1.12 NCCCc1ccno1 Amb18832760 [0,2,0,0,0,0|2,0,0]=4 6359 B9R1.12 NCCCc1cnco1 Amb33415562 [0,2,0,0,0,0|2,0,0]=4 6360 B9R1.12 NCCCc1ncco1 Amb18061835 [0,2,0,0,0,0|2,0,0]=4 6361 B9R1.12 NCCOc1ccco1 Amb33360919 [0,2,0,0,0,0|1,0,0]=3 6362 B9R1.12 NCCOc1cccs1 Amb26516140 [0,2,0,0,0,0|1,1,0]=4 6363 B9R1.12 NCCOc1cnco1 Amb33319567 [0,2,0,0,0,0|2,0,0]=4 6364 B9R1.12 NCCSc1ccco1 Amb28326221 [0,2,0,0,0,0|1,0,0]=3 6365 B9R1.12 NCCSc1cccs1 Amb6717253 [0,2,0,0,0,0|1,1,0]=4 6366 B9R1.12 NCCSc1ncco1 Amb27815965 [0,2,0,0,0,0|2,0,0]=4 6367 B9R1.12 NC\C=C/c1cccs1 Amb27167022 [0,2,0,0,0,0|1,1,0]=4 6368 B9R1.12 NC\C=C\c1ccco1 Amb10560864 [0,2,0,0,0,0|1,0,0]=3 6369 B9R1.12 NC\C=C\c1cccs1 Amb18563038 [0,2,0,0,0,0|1,1,0]=4 6370 B9R1.12 NC\C=C\c1cnco1 Amb33414799 [0,2,0,0,0,0|2,0,0]=4 6371 B9R1.12 NNCCc1cccs1 Amb6242818 [0,2,0,0,0,0|1,1,0]=4 6372 B9R1.12 NOCCc1ccco1 Amb25208726 [0,2,0,0,0,0|0,0,0]=2 6373 B9R1.12 NOCCc1cccs1 Amb25130652 [0,2,0,0,0,0|0,1,0]=3 6374 B9R1.12 NOCCc1ccoc1 Amb33360619 [0,2,0,0,0,0|2,0,0]=4 6375 B9R1.12 NOCCc1ccon1 Amb33198323 [0,2,0,0,0,0|2,0,0]=4 6376 B9R1.12 NOCCc1ccsc1 Amb25799465 [0,2,0,0,0,0|2,0,0]=4 6377 B9R1.12 NOCCc1cnco1 Amb33414839 [0,2,0,0,0,0|1,0,0]=3 6378 B9R1.12 NOCCc1cncs1 Amb33269493 [0,2,0,0,0,0|1,1,0]=4 6379 B9R1.12 NOCCc1cscn1 Amb33418191 [0,2,0,0,0,0|2,0,0]=4 6380 B9R1.12 NOCCc1nccs1 Amb33311522 [0,2,0,0,0,0|1,1,0]=4 6381 B9R1.12 NOCCn1cccn1 Amb27768802 [0,2,0,0,0,0|2,0,0]=4 6382 B9R1.12 O=C=NCc1ccco1 Amb901884 [0,2,0,0,0,0|0,0,1]=3 6383 B9R1.12 O=C=NCc1cccs1 Amb33541078 [0,2,0,0,0,0|0,1,1]=4 6384 B9R1.12 O=C=NCc1ccno1 Amb18061876 [0,2,0,0,0,0|1,0,1]=4 6385 B9R1.12 O=C=NCc1cnco1 Amb33415269 [0,2,0,0,0,0|1,0,1]=4 6386 B9R1.12 O=CCCc1ccco1 Amb17081672 [0,2,0,0,0,0|0,0,1]=3 6387 B9R1.12 O=CCCc1cccs1 Amb17081673 [0,2,0,0,0,0|0,1,1]=4 6388 B9R1.12 O=CCCc1cnco1 Amb26986955 [0,2,0,0,0,0|1,0,1]=4 6389 B9R1.12 O=CCSc1cccs1 Amb17082929 [0,2,0,0,0,0|0,1,1]=4 6390 B9R1.12 O=CNCc1ccco1 Amb3319177 [0,2,0,0,0,0|0,0,1]=3 6391 B9R1.12 O=CNCc1cccs1 Amb27774671 [0,2,0,0,0,0|0,1,1]=4 6392 B9R1.12 O=COCc1ccco1 Amb26359842 [0,2,0,0,0,0|0,0,0]=2 6393 B9R1.12 O=COCn1cccc1 Amb26423885 [0,2,0,0,0,0|2,0,0]=4 6394 B9R1.12 O=C\C=C/c1ccco1 Amb27590405 [0,2,0,0,0,0|0,0,2]=4 6395 B9R1.12 O=C\C=C\c1ccco1 Amb33870988 [0,2,0,0,0,0|0,0,2]=4 6396 B9R1.12 OCC#Cc1ccco1 Amb28049071 [0,2,0,0,0,0|0,0,0]=2 6397 B9R1.12 OCC#Cc1ccns1 Amb27783544 [0,2,0,0,0,0|1,1,0]=4 6398 B9R1.12 OCC#Cc1ccoc1 Amb28126047 [0,2,0,0,0,0|2,0,0]=4 6399 B9R1.12 OCC#Cc1ccsc1 Amb24709250 [0,2,0,0,0,0|2,0,0]=4 6400 B9R1.12 OCC#Cc1ccsn1 Amb27796749 [0,2,0,0,0,0|2,0,0]=4 6401 B9R1.12 OCC#Cc1cncs1 Amb35616589 [0,2,0,0,0,0|1,1,0]=4 6402 B9R1.12 OCC#Cc1cscn1 Amb28144727 [0,2,0,0,0,0|2,0,0]=4 6403 B9R1.12 OCCCc1ccco1 Amb8860560 [0,2,0,0,0,0|0,0,0]=2 6404 B9R1.12 OCCCc1cccs1 Amb17089493 [0,2,0,0,0,0|0,1,0]=3 6405 B9R1.12 OCCCc1ccns1 Amb27787342 [0,2,0,0,0,0|1,1,0]=4 6406 B9R1.12 OCCCc1ccoc1 Amb26505336 [0,2,0,0,0,0|2,0,0]=4 6407 B9R1.12 OCCCc1ccon1 Amb28399013 [0,2,0,0,0,0|2,0,0]=4 6408 B9R1.12 OCCCc1ccsc1 Amb17605794 [0,2,0,0,0,0|2,0,0]=4 6409 B9R1.12 OCCCc1cnco1 Amb27833401 [0,2,0,0,0,0|1,0,0]=3 6410 B9R1.12 OCCCc1cncs1 Amb26017292 [0,2,0,0,0,0|1,1,0]=4 6411 B9R1.12 OCCCc1cocn1 Amb27762837 [0,2,0,0,0,0|2,0,0]=4 6412 B9R1.12 OCCCc1cscn1 Amb24099813 [0,2,0,0,0,0|2,0,0]=4 6413 B9R1.12 OCCCc1nccs1 Amb25887194 [0,2,0,0,0,0|1,1,0]=4 6414 B9R1.12 OCCCn1cccc1 Amb17593298 [0,2,0,0,0,0|2,0,0]=4 6415 B9R1.12 OCCCn1cccn1 Amb33531607 [0,2,0,0,0,0|2,0,0]=4 6416 B9R1.12 OCCNc1ccco1 Amb27246618 [0,2,0,0,0,0|0,0,0]=2 6417 B9R1.12 OCCNc1cccs1 Amb27174142 [0,2,0,0,0,0|0,1,0]=3 6418 B9R1.12 OCCNc1nccs1 Amb6649646 [0,2,0,0,0,0|1,1,0]=4 6419 B9R1.12 OCCSc1ccco1 Amb27200113 [0,2,0,0,0,0|0,0,0]=2 6420 B9R1.12 OCCSc1ccsc1 Amb27958951 [0,2,0,0,0,0|2,0,0]=4 6421 B9R1.12 OCCSc1ncco1 Amb28139850 [0,2,0,0,0,0|1,0,0]=3 6422 B9R1.12 OC\C=C\c1ccco1 Amb837544 [0,2,0,0,0,0|0,0,0]=2 6423 B9R1.12 OC\C=C\c1cccs1 Amb23555588 [0,2,0,0,0,0|0,1,0]=3 6424 B9R1.12 OC\C=C\c1ccns1 Amb30017499 [0,2,0,0,0,0|1,1,0]=4 6425 B9R1.12 OC\C=C\c1ccoc1 Amb33136449 [0,2,0,0,0,0|2,0,0]=4 6426 B9R1.12 OC\C=C\c1ccon1 Amb33197558 [0,2,0,0,0,0|2,0,0]=4 6427 B9R1.12 OC\C=C\c1ccsc1 Amb33136405 [0,2,0,0,0,0|2,0,0]=4 6428 B9R1.12 OC\C=C\c1cnco1 Amb33414800 [0,2,0,0,0,0|1,0,0]=3 6429 B9R1.12 OC\C=C\c1cncs1 Amb25733141 [0,2,0,0,0,0|1,1,0]=4 6430 B9R1.12 OC\C=C\c1cscn1 Amb28195848 [0,2,0,0,0,0|2,0,0]=4 6431 B9R1.12 OC\C=C\c1nccs1 Amb33429167 [0,2,0,0,0,0|1,1,0]=4 6432 B9R1.12 OC\C=C\n1cccc1 Amb28049227 [0,2,0,0,0,0|2,0,0]=4 6433 B9R1.12 O\N=C\Cc1ccco1 Amb28368538 [0,2,0,0,0,0|0,0,0]=2 6434 B9R1.12 S=C=NCc1ccco1 Amb6565407 [0,2,0,0,0,0|0,1,0]=3 6435 B9R1.12 S=C=NCc1cccs1 Amb1107236 [0,2,0,0,0,0|0,2,0]=4 6436 B9R1.12 S=C=NCc1ccno1 Amb27982259 [0,2,0,0,0,0|1,1,0]=4 6437 B9R1.12 SCCCc1ccco1 Amb17399874 [0,2,0,0,0,0|0,1,0]=3 6438 B9R1.12 SCCCc1cccs1 Amb17400036 [0,2,0,0,0,0|0,2,0]=4 6439 B9R1.12 SCCCc1cnco1 Amb33319544 [0,2,0,0,0,0|1,1,0]=4 6440 B9R1.12 SCCSc1ncco1 Amb28060088 [0,2,0,0,0,0|1,1,0]=4 6441 B9R1.12 [C-]#[N+]CCc1ccco1 Amb24743086 [0,2,0,0,0,0|1,0,0]=3 6442 B9R1.12 [C-]#[N+]CCc1cccs1 Amb3973223 [0,2,0,0,0,0|1,1,0]=4 6443 B9R1.12 [C-]#[N+]CCc1cnco1 Amb33414854 [0,2,0,0,0,0|2,0,0]=4 6444 B9R1.12 [N-]=[N+]=NCc1ccco1 Amb25791515 [0,2,0,0,0,0|1,0,0]=3 6445 B9R1.12 [N-]=[N+]=NCc1cccs1 Amb19148919 [0,2,0,0,0,0|1,1,0]=4 6446 B9R1.12 [N-]=[N+]=NCc1ccno1 Amb28072505 [0,2,0,0,0,0|2,0,0]=4 6447 B9R1.13 BrC(Br)=Cc1ccco1 Amb22228062 [0,2,0,0,0,0|1,0,1]=4 6448 B9R1.13 C=C(Br)Cc1ccco1 Amb24411253 [0,2,0,0,0,0|1,0,0]=3 6449 B9R1.13 C=C(Br)Cc1cccs1 Amb25185096 [0,2,0,0,0,0|1,1,0]=4 6450 B9R1.13 C=C(C)Cc1ccco1 Amb24673621 [0,2,0,0,0,0|1,0,0]=3 6451 B9R1.13 C=C(C)Cc1cccs1 Amb27413817 [0,2,0,0,0,0|1,1,0]=4 6452 B9R1.13 C=C(Cl)Cc1ccco1 Amb27881309 [0,2,0,0,0,0|1,0,0]=3 6453 B9R1.13 C=C(Cl)Cc1cccs1 Amb24674094 [0,2,0,0,0,0|1,1,0]=4 6454 B9R1.13 CC(=O)Cc1ccco1 Amb5751052 [0,2,0,0,0,0|0,0,1]=3 6455 B9R1.13 CC(=O)Cc1cccs1 Amb3429447 [0,2,0,0,0,0|0,1,1]=4 6456 B9R1.13 CC(=O)Cc1ccno1 Amb24425365 [0,2,0,0,0,0|1,0,1]=4 6457 B9R1.13 CC(=O)Cc1cnco1 Amb33416893 [0,2,0,0,0,0|1,0,1]=4 6458 B9R1.13 CC(=O)Nc1ccco1 Amb2611741 [0,2,0,0,0,0|0,0,2]=4 6459 B9R1.13 CC(=O)Oc1ccco1 Amb27614492 [0,2,0,0,0,0|0,0,2]=4 6460 B9R1.13 CC(Br)Cc1ccco1 Amb25074648 [0,2,0,0,0,0|1,0,0]=3 6461 B9R1.13 CC(Br)Cc1cccs1 Amb26653704 [0,2,0,0,0,0|1,1,0]=4 6462 B9R1.13 CC(Br)Cc1cnco1 Amb33335734 [0,2,0,0,0,0|2,0,0]=4 6463 B9R1.13 CC(C)Cc1ccco1 Amb2592659 [0,2,0,0,0,0|1,0,0]=3 6464 B9R1.13 CC(C)Cc1cccs1 Amb24061264 [0,2,0,0,0,0|1,1,0]=4 6465 B9R1.13 CC(C)Cc1cnco1 Amb30019089 [0,2,0,0,0,0|2,0,0]=4 6466 B9R1.13 CC(C)Cc1ncco1 Amb17399801 [0,2,0,0,0,0|2,0,0]=4 6467 B9R1.13 CC(C)Oc1ccco1 Amb27451310 [0,2,0,0,0,0|1,0,0]=3 6468 B9R1.13 CC(C)Sc1ccco1 Amb28255929 [0,2,0,0,0,0|1,0,0]=3 6469 B9R1.13 CC(C)Sc1cccs1 Amb28205791 [0,2,0,0,0,0|1,1,0]=4 6470 B9R1.13 CC(Cl)Cc1ccco1 Amb27472699 [0,2,0,0,0,0|1,0,0]=3 6471 B9R1.13 CC(Cl)Cc1cccs1 Amb17477833 [0,2,0,0,0,0|1,1,0]=4 6472 B9R1.13 CC(N)Cc1ccco1 Amb534653 [0,2,0,0,0,0|1,0,0]=3 6473 B9R1.13 CC(N)Cc1cccs1 Amb19514742 [0,2,0,0,0,0|1,1,0]=4 6474 B9R1.13 CC(N)Cc1cccs1 Amb9714775 [0,2,0,0,0,0|1,1,0]=4 6475 B9R1.13 CC(N)Cc1ccno1 Amb27438725 [0,2,0,0,0,0|2,0,0]=4 6476 B9R1.13 CC(O)CC1C=CCO1 Amb27191727 [0,2,0,0,0,0|0,0,2]=4 6477 B9R1.13 CC(O)Cc1ccco1 Amb22748663 [0,2,0,0,0,0|0,0,0]=2 6478 B9R1.13 CC(O)Cc1cccs1 Amb4016400 [0,2,0,0,0,0|0,1,0]=3 6479 B9R1.13 CC(O)Cc1ccno1 Amb24747618 [0,2,0,0,0,0|1,0,0]=3 6480 B9R1.13 CC(O)Cc1ccns1 Amb35649838 [0,2,0,0,0,0|1,1,0]=4 6481 B9R1.13 CC(O)Cc1ccoc1 Amb28061649 [0,2,0,0,0,0|2,0,0]=4 6482 B9R1.13 CC(O)Cc1ccon1 Amb33480781 [0,2,0,0,0,0|2,0,0]=4 6483 B9R1.13 CC(O)Cc1ccsc1 Amb33531017 [0,2,0,0,0,0|2,0,0]=4 6484 B9R1.13 CC(O)Cc1cnco1 Amb33415202 [0,2,0,0,0,0|1,0,0]=3 6485 B9R1.13 CC(O)Cc1cncs1 Amb24659738 [0,2,0,0,0,0|1,1,0]=4 6486 B9R1.13 CC(O)Cc1cscn1 Amb26631803 [0,2,0,0,0,0|2,0,0]=4 6487 B9R1.13 CC(O)Cc1nccs1 Amb27817410 [0,2,0,0,0,0|1,1,0]=4 6488 B9R1.13 CC(O)Cn1cccc1 Amb24589643 [0,2,0,0,0,0|2,0,0]=4 6489 B9R1.13 CC(O)Cn1cccn1 Amb21988438 [0,2,0,0,0,0|2,0,0]=4 6490 B9R1.13 CC(O)Cn1cccn1 Amb6888817 [0,2,0,0,0,0|2,0,0]=4 6491 B9R1.13 CC(S)Cc1ccco1 Amb25132353 [0,2,0,0,0,0|0,1,0]=3 6492 B9R1.13 CC(S)Cc1cccs1 Amb29859712 [0,2,0,0,0,0|0,2,0]=4 6493 B9R1.13 CN(C)Cc1cccs1 Amb21864815 [0,2,0,0,0,0|1,1,0]=4 6494 B9R1.13 CN(C)Cc1ccno1 Amb28285245 [0,2,0,0,0,0|2,0,0]=4 6495 B9R1.13 CN(N)Cc1cccs1 Amb27185999 [0,2,0,0,0,0|1,1,0]=4 6496 B9R1.13 CN(O)Cc1ccco1 Amb33360968 [0,2,0,0,0,0|0,0,0]=2 6497 B9R1.13 CN(O)Cc1cccs1 Amb33360066 [0,2,0,0,0,0|0,1,0]=3 6498 B9R1.13 CN(O)Cc1ccoc1 Amb33361253 [0,2,0,0,0,0|2,0,0]=4 6499 B9R1.13 CN(O)Cc1ccon1 Amb33198788 [0,2,0,0,0,0|2,0,0]=4 6500 B9R1.13 CN(O)Cc1ccsc1 Amb33429085 [0,2,0,0,0,0|2,0,0]=4 6501 B9R1.13 CN(O)Cc1cnco1 Amb33415281 [0,2,0,0,0,0|1,0,0]=3 6502 B9R1.13 CN(O)Cc1cncs1 Amb33269831 [0,2,0,0,0,0|1,1,0]=4 6503 B9R1.13 CN(O)Cc1cscn1 Amb33319116 [0,2,0,0,0,0|2,0,0]=4 6504 B9R1.13 CN(O)Cc1nccs1 Amb33311577 [0,2,0,0,0,0|1,1,0]=4 6505 B9R1.13 C[C@@H](N)Cc1ccco1 Amb33360956 [0,2,0,0,0,0|1,0,0]=3 6506 B9R1.13 C[C@@H](N)Cc1cccs1 Amb24680998 [0,2,0,0,0,0|1,1,0]=4 6507 B9R1.13 C[C@@H](N)Cc1ccno1 Amb33230097 [0,2,0,0,0,0|2,0,0]=4 6508 B9R1.13 C[C@@H](N)Cc1cnco1 Amb33414816 [0,2,0,0,0,0|2,0,0]=4 6509 B9R1.13 C[C@@H](O)C[C@@H]1C=CCO1 Amb28346422 [0,2,0,0,0,0|0,0,2]=4 6510 B9R1.13 C[C@@H](O)Cc1ccco1 Amb24433279 [0,2,0,0,0,0|0,0,0]=2 6511 B9R1.13 C[C@@H](O)Cc1cccs1 Amb22896924 [0,2,0,0,0,0|0,1,0]=3 6512 B9R1.13 C[C@@H](O)Cc1ccno1 Amb28205802 [0,2,0,0,0,0|1,0,0]=3 6513 B9R1.13 C[C@@H](O)Cc1ccoc1 Amb33360606 [0,2,0,0,0,0|2,0,0]=4 6514 B9R1.13 C[C@@H](O)Cc1ccon1 Amb33198302 [0,2,0,0,0,0|2,0,0]=4 6515 B9R1.13 C[C@@H](O)Cc1ccsc1 Amb22896909 [0,2,0,0,0,0|2,0,0]=4 6516 B9R1.13 C[C@@H](O)Cc1cnco1 Amb33414812 [0,2,0,0,0,0|1,0,0]=3 6517 B9R1.13 C[C@@H](O)Cc1cncs1 Amb33225056 [0,2,0,0,0,0|1,1,0]=4 6518 B9R1.13 C[C@@H](O)Cc1cscn1 Amb33418095 [0,2,0,0,0,0|2,0,0]=4 6519 B9R1.13 C[C@@H](O)Cc1nccs1 Amb33311484 [0,2,0,0,0,0|1,1,0]=4 6520 B9R1.13 C[C@@H](O)Cn1cccc1 Amb25793900 [0,2,0,0,0,0|2,0,0]=4 6521 B9R1.13 C[C@H](N)Cc1ccco1 Amb27831576 [0,2,0,0,0,0|1,0,0]=3 6522 B9R1.13 C[C@H](N)Cc1cccs1 Amb27655600 [0,2,0,0,0,0|1,1,0]=4 6523 B9R1.13 C[C@H](N)Cc1ccno1 Amb33230085 [0,2,0,0,0,0|2,0,0]=4 6524 B9R1.13 C[C@H](N)Cc1cnco1 Amb33414815 [0,2,0,0,0,0|2,0,0]=4 6525 B9R1.13 C[C@H](O)CC1=CC=CC1 Amb27770335 [0,2,0,0,0,0|1,0,0]=3 6526 B9R1.13 C[C@H](O)CC1=CCC=C1 Amb28049106 [0,2,0,0,0,0|1,0,1]=4 6527 B9R1.13 C[C@H](O)Cc1ccco1 Amb28342905 [0,2,0,0,0,0|0,0,0]=2 6528 B9R1.13 C[C@H](O)Cc1cccs1 Amb25354706 [0,2,0,0,0,0|0,1,0]=3 6529 B9R1.13 C[C@H](O)Cc1ccoc1 Amb33360607 [0,2,0,0,0,0|2,0,0]=4 6530 B9R1.13 C[C@H](O)Cc1ccon1 Amb33198303 [0,2,0,0,0,0|2,0,0]=4 6531 B9R1.13 C[C@H](O)Cc1ccsc1 Amb24395208 [0,2,0,0,0,0|2,0,0]=4 6532 B9R1.13 C[C@H](O)Cc1cnco1 Amb33414814 [0,2,0,0,0,0|1,0,0]=3 6533 B9R1.13 C[C@H](O)Cc1cncs1 Amb33269141 [0,2,0,0,0,0|1,1,0]=4 6534 B9R1.13 C[C@H](O)Cc1cscn1 Amb33418100 [0,2,0,0,0,0|2,0,0]=4 6535 B9R1.13 C[C@H](O)Cc1nccs1 Amb33311491 [0,2,0,0,0,0|1,1,0]=4 6536 B9R1.13 FC(F)Sc1cccs1 Amb17232586 [0,2,0,0,0,0|1,1,0]=4 6537 B9R1.13 F\C(Br)=C\c1ccco1 Amb27847169 [0,2,0,0,0,0|1,0,1]=4 6538 B9R1.13 N=C(N)Cc1ccco1 Amb27834673 [0,2,0,0,0,0|1,0,0]=3 6539 B9R1.13 N=C(N)Cc1cccs1 Amb2696408 [0,2,0,0,0,0|1,1,0]=4 6540 B9R1.13 N=C(N)Cc1cccs1 Amb8630204 [0,2,0,0,0,0|1,1,0]=4 6541 B9R1.13 N=C(N)Cc1cnco1 Amb33319553 [0,2,0,0,0,0|2,0,0]=4 6542 B9R1.13 NC(=O)Cc1cccs1 Amb3620365 [0,2,0,0,0,0|0,1,1]=4 6543 B9R1.13 NC(=O)Nc1ccco1 Amb27804619 [0,2,0,0,0,0|0,0,2]=4 6544 B9R1.13 NC(=S)Cc1ccco1 Amb27217977 [0,2,0,0,0,0|0,1,0]=3 6545 B9R1.13 NC(=S)Cc1cccs1 Amb1092031 [0,2,0,0,0,0|0,2,0]=4 6546 B9R1.13 NC(=S)Cc1cnco1 Amb33319552 [0,2,0,0,0,0|1,1,0]=4 6547 B9R1.13 O=C(Cl)Cc1ccco1 Amb25124003 [0,2,0,0,0,0|0,0,1]=3 6548 B9R1.13 O=C(Cl)Cc1cccs1 Amb535730 [0,2,0,0,0,0|0,1,1]=4 6549 B9R1.13 O=C(O)CC1=CC=CC1 Amb28370362 [0,2,0,0,0,0|1,0,0]=3 6550 B9R1.13 O=C(O)CC1=CCC=C1 Amb27945563 [0,2,0,0,0,0|1,0,1]=4 6551 B9R1.13 O=C(O)Cc1ccco1 Amb2792725 [0,2,0,0,0,0|0,0,0]=2 6552 B9R1.13 O=C(O)Cc1cccs1 Amb6335251 [0,2,0,0,0,0|0,1,0]=3 6553 B9R1.13 O=C(O)Cc1ccno1 Amb8009410 [0,2,0,0,0,0|1,0,0]=3 6554 B9R1.13 O=C(O)Cc1ccns1 Amb18831590 [0,2,0,0,0,0|1,1,0]=4 6555 B9R1.13 O=C(O)Cc1ccoc1 Amb2611514 [0,2,0,0,0,0|2,0,0]=4 6556 B9R1.13 O=C(O)Cc1ccon1 Amb8009412 [0,2,0,0,0,0|2,0,0]=4 6557 B9R1.13 O=C(O)Cc1ccsc1 Amb1151879 [0,2,0,0,0,0|2,0,0]=4 6558 B9R1.13 O=C(O)Cc1ccsn1 Amb18831591 [0,2,0,0,0,0|2,0,0]=4 6559 B9R1.13 O=C(O)Cc1cnco1 Amb8009409 [0,2,0,0,0,0|1,0,0]=3 6560 B9R1.13 O=C(O)Cc1cncs1 Amb3319218 [0,2,0,0,0,0|1,1,0]=4 6561 B9R1.13 O=C(O)Cc1cocn1 Amb8009408 [0,2,0,0,0,0|2,0,0]=4 6562 B9R1.13 O=C(O)Cc1cscn1 Amb17039671 [0,2,0,0,0,0|2,0,0]=4 6563 B9R1.13 O=C(O)Cc1cscn1 Amb33537693 [0,2,0,0,0,0|2,0,0]=4 6564 B9R1.13 O=C(O)Cc1ncco1 Amb8009407 [0,2,0,0,0,0|1,0,0]=3 6565 B9R1.13 O=C(O)Cc1nccs1 Amb9533133 [0,2,0,0,0,0|1,1,0]=4 6566 B9R1.13 O=C(O)Cc1nnco1 Amb22753920 [0,2,0,0,0,0|2,0,0]=4 6567 B9R1.13 O=C(O)Cn1cccc1 Amb1124868 [0,2,0,0,0,0|2,0,0]=4 6568 B9R1.13 O=C(O)Cn1cccn1 Amb1157167 [0,2,0,0,0,0|2,0,0]=4 6569 B9R1.13 O=C([O-])Cc1cnco1 Amb33621239 [0,2,0,0,0,0|1,0,1]=4 6570 B9R1.13 O=S([O-])Cc1ccno1 Amb32755743 [0,2,0,0,0,0|1,0,1]=4 6571 B9R1.13 O=[N+]([O-])Cc1ccco1 Amb28240844 [0,2,0,0,0,0|0,0,1]=3 6572 B9R1.13 O=[N+]([O-])Cc1cccs1 Amb26527648 [0,2,0,0,0,0|0,1,1]=4 6573 B9R1.13 O=[N+]([O-])Cc1cnco1 Amb33414797 [0,2,0,0,0,0|1,0,1]=4 6574 B9R1.13 OB(O)Cc1cccs1 Amb27771775 [0,2,0,0,0,0|0,1,0]=3 6575 B9R1.13 OB(O)Cc1ccns1 Amb35651325 [0,2,0,0,0,0|1,1,0]=4 6576 B9R1.13 OB(O)Cc1ccsc1 Amb27243148 [0,2,0,0,0,0|2,0,0]=4 6577 B9R1.13 OB(O)Cc1nccs1 Amb28187318 [0,2,0,0,0,0|1,1,0]=4 6578 B9R1.13 OC(=S)Cc1cccs1 Amb2611516 [0,2,0,0,0,0|0,1,0]=3 6579 B9R1.33 BrCCc1sccc1Br Amb25804548 [0,2,0,0,0,0|1,1,0]=4 6580 B9R1.33 C#CCc1cccn1C Amb25308963 [0,2,0,0,0,0|2,0,0]=4 6581 B9R1.33 C#CCc1occc1C Amb33501881 [0,2,0,0,0,0|1,0,0]=3 6582 B9R1.33 C#CCc1sccc1Br Amb33387509 [0,2,0,0,0,0|1,1,0]=4 6583 B9R1.33 C#CCc1sccc1C Amb33202960 [0,2,0,0,0,0|1,1,0]=4 6584 B9R1.33 C#CCc1sccc1Cl Amb33257934 [0,2,0,0,0,0|1,1,0]=4 6585 B9R1.33 C=CCc1cccn1C Amb26872959 [0,2,0,0,0,0|2,0,0]=4 6586 B9R1.33 C=CCc1sccc1I Amb27268613 [0,2,0,0,0,0|1,1,0]=4 6587 B9R1.33 CC1=C(CCO)CC=C1 Amb27761613 [0,2,0,0,0,0|1,0,0]=3 6588 B9R1.33 CCCc1cccn1C Amb27259846 [0,2,0,0,0,0|2,0,0]=4 6589 B9R1.33 CCCc1oncc1N Amb28130585 [0,2,0,0,0,0|2,0,0]=4 6590 B9R1.33 CCOc1ocnc1C Amb8394921 [0,2,0,0,0,0|2,0,0]=4 6591 B9R1.33 CCOc1sccc1N Amb19929914 [0,2,0,0,0,0|1,1,0]=4 6592 B9R1.33 CCSc1ocnc1C Amb27851563 [0,2,0,0,0,0|2,0,0]=4 6593 B9R1.33 CCSc1sccc1Br Amb28202686 [0,2,0,0,0,0|1,1,0]=4 6594 B9R1.33 CC\C=C1/CC=CC1=O Amb28144042 [0,2,0,0,0,0|2,0,0]=4 6595 B9R1.33 CNCc1cccn1C Amb6332084 [0,2,0,0,0,0|2,0,0]=4 6596 B9R1.33 CNCc1occc1C Amb6572132 [0,2,0,0,0,0|1,0,0]=3 6597 B9R1.33 CNCc1ocnc1C Amb16230505 [0,2,0,0,0,0|2,0,0]=4 6598 B9R1.33 CNCc1ocnc1C Amb35747477 [0,2,0,0,0,0|2,0,0]=4 6599 B9R1.33 CNCc1sccc1Br Amb16230502 [0,2,0,0,0,0|1,1,0]=4 6600 B9R1.33 CNCc1sccc1Br Amb20623997 [0,2,0,0,0,0|1,1,0]=4 6601 B9R1.33 CNCc1sccc1C Amb5729070 [0,2,0,0,0,0|1,1,0]=4 6602 B9R1.33 CNCc1sccc1C Amb837566 [0,2,0,0,0,0|1,1,0]=4 6603 B9R1.33 CNCc1sccc1Cl Amb26950450 [0,2,0,0,0,0|1,1,0]=4 6604 B9R1.33 CNCc1sccc1I Amb27866188 [0,2,0,0,0,0|1,1,0]=4 6605 B9R1.33 COCc1ccnn1C Amb24269821 [0,2,0,0,0,0|2,0,0]=4 6606 B9R1.33 COCc1ccoc1Br Amb33430480 [0,2,0,0,0,0|2,0,0]=4 6607 B9R1.33 COCc1ccoc1O Amb33448290 [0,2,0,0,0,0|2,0,0]=4 6608 B9R1.33 COCc1ccsc1C Amb27185549 [0,2,0,0,0,0|2,0,0]=4 6609 B9R1.33 COCc1nccn1C Amb33328565 [0,2,0,0,0,0|2,0,0]=4 6610 B9R1.33 COCc1ncoc1C Amb27240103 [0,2,0,0,0,0|2,0,0]=4 6611 B9R1.33 COCc1occc1Br Amb28204905 [0,2,0,0,0,0|0,0,0]=2 6612 B9R1.33 COCc1occc1C Amb27665910 [0,2,0,0,0,0|0,0,0]=2 6613 B9R1.33 COCc1oncc1N Amb33429403 [0,2,0,0,0,0|1,0,0]=3 6614 B9R1.33 COCc1sccc1Br Amb27222407 [0,2,0,0,0,0|0,1,0]=3 6615 B9R1.33 COCc1sccc1Cl Amb27791946 [0,2,0,0,0,0|0,1,0]=3 6616 B9R1.33 COCc1scnc1N Amb25147198 [0,2,0,0,0,0|1,1,0]=4 6617 B9R1.33 COCc1sncc1Br Amb33457381 [0,2,0,0,0,0|1,1,0]=4 6618 B9R1.33 CSCc1oncc1N Amb33269494 [0,2,0,0,0,0|1,1,0]=4 6619 B9R1.33 CSCc1sccc1Br Amb28062716 [0,2,0,0,0,0|0,2,0]=4 6620 B9R1.33 Cc1ccnn1CCO Amb7089061 [0,2,0,0,0,0|2,0,0]=4 6621 B9R1.33 Cc1ccoc1CC#N Amb25247026 [0,2,0,0,0,0|1,0,0]=3 6622 B9R1.33 Cc1ccoc1CC=O Amb28198051 [0,2,0,0,0,0|0,0,1]=3 6623 B9R1.33 Cc1ccoc1CCBr Amb26874546 [0,2,0,0,0,0|1,0,0]=3 6624 B9R1.33 Cc1ccoc1CCCl Amb28366072 [0,2,0,0,0,0|1,0,0]=3 6625 B9R1.33 Cc1ccoc1CCN Amb18832814 [0,2,0,0,0,0|1,0,0]=3 6626 B9R1.33 Cc1ccoc1CCO Amb25300068 [0,2,0,0,0,0|0,0,0]=2 6627 B9R1.33 Cc1ccoc1CCS Amb33342789 [0,2,0,0,0,0|0,1,0]=3 6628 B9R1.33 Cc1ccoc1CNN Amb6250434 [0,2,0,0,0,0|1,0,0]=3 6629 B9R1.33 Cc1ccoc1CNO Amb26944486 [0,2,0,0,0,0|0,0,0]=2 6630 B9R1.33 Cc1ccoc1CON Amb33343539 [0,2,0,0,0,0|0,0,0]=2 6631 B9R1.33 Cc1ccoc1N=C=O Amb6572129 [0,2,0,0,0,0|0,0,2]=4 6632 B9R1.33 Cc1ccsc1CC#N Amb27268122 [0,2,0,0,0,0|1,1,0]=4 6633 B9R1.33 Cc1ccsc1CC=O Amb27155654 [0,2,0,0,0,0|0,1,1]=4 6634 B9R1.33 Cc1ccsc1CCBr Amb25234538 [0,2,0,0,0,0|1,1,0]=4 6635 B9R1.33 Cc1ccsc1CCN Amb2592465 [0,2,0,0,0,0|1,1,0]=4 6636 B9R1.33 Cc1ccsc1CCN Amb33291373 [0,2,0,0,0,0|1,1,0]=4 6637 B9R1.33 Cc1ccsc1CCN Amb8503271 [0,2,0,0,0,0|1,1,0]=4 6638 B9R1.33 Cc1ccsc1CCO Amb25935748 [0,2,0,0,0,0|0,1,0]=3 6639 B9R1.33 Cc1ccsc1CCS Amb25108739 [0,2,0,0,0,0|0,2,0]=4 6640 B9R1.33 Cc1ccsc1CNN Amb6244503 [0,2,0,0,0,0|1,1,0]=4 6641 B9R1.33 Cc1ccsc1CNO Amb27971966 [0,2,0,0,0,0|0,1,0]=3 6642 B9R1.33 Cc1ccsc1CON Amb27847247 [0,2,0,0,0,0|0,1,0]=3 6643 B9R1.33 Cc1ccsc1\C=N\O Amb2782070 [0,2,0,0,0,0|0,1,1]=4 6644 B9R1.33 Cc1cnoc1CNO Amb27843574 [0,2,0,0,0,0|1,0,0]=3 6645 B9R1.33 Cc1cnsc1CCO Amb27598622 [0,2,0,0,0,0|1,1,0]=4 6646 B9R1.33 Cc1cocc1CCO Amb26918329 [0,2,0,0,0,0|2,0,0]=4 6647 B9R1.33 Cc1conc1CCO Amb28315531 [0,2,0,0,0,0|2,0,0]=4 6648 B9R1.33 Cc1cscc1CCO Amb33147729 [0,2,0,0,0,0|2,0,0]=4 6649 B9R1.33 Cc1cscc1CNO Amb28129567 [0,2,0,0,0,0|2,0,0]=4 6650 B9R1.33 Cc1cscc1CON Amb33146562 [0,2,0,0,0,0|2,0,0]=4 6651 B9R1.33 Cc1ncoc1CC#N Amb24413842 [0,2,0,0,0,0|2,0,0]=4 6652 B9R1.33 Cc1ncoc1CCCl Amb27258552 [0,2,0,0,0,0|2,0,0]=4 6653 B9R1.33 Cc1ncoc1CCN Amb17399804 [0,2,0,0,0,0|2,0,0]=4 6654 B9R1.33 Cc1ncoc1CCO Amb17399816 [0,2,0,0,0,0|1,0,0]=3 6655 B9R1.33 Cc1ncoc1\C=N\O Amb27613075 [0,2,0,0,0,0|1,0,1]=4 6656 B9R1.33 Cc1ncsc1CCO Amb2724374 [0,2,0,0,0,0|1,1,0]=4 6657 B9R1.33 Cc1ncsc1CNO Amb24422983 [0,2,0,0,0,0|1,1,0]=4 6658 B9R1.33 Cc1ncsc1CON Amb32877627 [0,2,0,0,0,0|1,1,0]=4 6659 B9R1.33 Cc1occc1CCO Amb25104148 [0,2,0,0,0,0|2,0,0]=4 6660 B9R1.33 Cc1occc1CNO Amb26361281 [0,2,0,0,0,0|2,0,0]=4 6661 B9R1.33 Cc1occc1CON Amb33275067 [0,2,0,0,0,0|2,0,0]=4 6662 B9R1.33 Cc1sccc1CCO Amb24738484 [0,2,0,0,0,0|2,0,0]=4 6663 B9R1.33 Cc1scnc1CCO Amb24670192 [0,2,0,0,0,0|2,0,0]=4 6664 B9R1.33 ClCCc1occc1Br Amb27399521 [0,2,0,0,0,0|1,0,0]=3 6665 B9R1.33 ClCCc1sccc1Br Amb26973740 [0,2,0,0,0,0|1,1,0]=4 6666 B9R1.33 Clc1ccsc1CCBr Amb27493968 [0,2,0,0,0,0|1,1,0]=4 6667 B9R1.33 Cn1cccc1CC#N Amb6306524 [0,2,0,0,0,0|2,0,0]=4 6668 B9R1.33 Cn1cccc1CC=O Amb27244764 [0,2,0,0,0,0|1,0,1]=4 6669 B9R1.33 Cn1cccc1CCBr Amb33113563 [0,2,0,0,0,0|2,0,0]=4 6670 B9R1.33 Cn1cccc1CCCl Amb24419304 [0,2,0,0,0,0|2,0,0]=4 6671 B9R1.33 Cn1cccc1CCN Amb7796008 [0,2,0,0,0,0|2,0,0]=4 6672 B9R1.33 Cn1cccc1CCO Amb19957346 [0,2,0,0,0,0|1,0,0]=3 6673 B9R1.33 Cn1cccc1CCS Amb25282882 [0,2,0,0,0,0|1,1,0]=4 6674 B9R1.33 Cn1cccc1CNN Amb19664698 [0,2,0,0,0,0|2,0,0]=4 6675 B9R1.33 Cn1cccc1CNO Amb26515826 [0,2,0,0,0,0|1,0,0]=3 6676 B9R1.33 Cn1cccc1CON Amb25837380 [0,2,0,0,0,0|1,0,0]=3 6677 B9R1.33 Cn1cccc1\C=N\O Amb3520695 [0,2,0,0,0,0|1,0,1]=4 6678 B9R1.33 Cn1ccnc1CCO Amb17593312 [0,2,0,0,0,0|2,0,0]=4 6679 B9R1.33 Cn1ccnc1CNO Amb24339748 [0,2,0,0,0,0|2,0,0]=4 6680 B9R1.33 Cn1ccnc1CON Amb25887266 [0,2,0,0,0,0|2,0,0]=4 6681 B9R1.33 Cn1cncc1CCO Amb25111555 [0,2,0,0,0,0|2,0,0]=4 6682 B9R1.33 Cn1cncc1CNO Amb24416831 [0,2,0,0,0,0|2,0,0]=4 6683 B9R1.33 Cn1cncc1CON Amb25859369 [0,2,0,0,0,0|2,0,0]=4 6684 B9R1.33 Cn1nccc1CCO Amb19957348 [0,2,0,0,0,0|2,0,0]=4 6685 B9R1.33 Cn1nccc1CNO Amb25360541 [0,2,0,0,0,0|2,0,0]=4 6686 B9R1.33 N#CCc1sccc1Br Amb27478420 [0,2,0,0,0,0|1,1,0]=4 6687 B9R1.33 N#CCc1sccc1Cl Amb25147110 [0,2,0,0,0,0|1,1,0]=4 6688 B9R1.33 NCCc1occc1Br Amb18186835 [0,2,0,0,0,0|1,0,0]=3 6689 B9R1.33 NCCc1occc1Cl Amb18202348 [0,2,0,0,0,0|1,0,0]=3 6690 B9R1.33 NCCc1occc1F Amb27786685 [0,2,0,0,0,0|1,0,0]=3 6691 B9R1.33 NCCc1sccc1Br Amb18956643 [0,2,0,0,0,0|1,1,0]=4 6692 B9R1.33 NCCc1sccc1Cl Amb26482982 [0,2,0,0,0,0|1,1,0]=4 6693 B9R1.33 NCCc1sccc1F Amb27491721 [0,2,0,0,0,0|1,1,0]=4 6694 B9R1.33 NNCc1sccc1Br Amb26000654 [0,2,0,0,0,0|1,1,0]=4 6695 B9R1.33 NNCc1sccc1Cl Amb26439315 [0,2,0,0,0,0|1,1,0]=4 6696 B9R1.33 NOCc1ccsc1Br Amb27773184 [0,2,0,0,0,0|2,0,0]=4 6697 B9R1.33 NOCc1sccc1Br Amb24372190 [0,2,0,0,0,0|0,1,0]=3 6698 B9R1.33 NOCc1sccc1Cl Amb27852923 [0,2,0,0,0,0|0,1,0]=3 6699 B9R1.33 Nc1ccnn1CCO Amb8396869 [0,2,0,0,0,0|2,0,0]=4 6700 B9R1.33 Nc1ccsc1\C=N\O Amb27489543 [0,2,0,0,0,0|0,1,1]=4 6701 B9R1.33 Nc1cnoc1CCF Amb33195724 [0,2,0,0,0,0|2,0,0]=4 6702 B9R1.33 O=C1C=CCC1CCO Amb27260839 [0,2,0,0,0,0|1,0,1]=4 6703 B9R1.33 O=C1C=CON1CCO Amb27756062 [0,2,0,0,0,0|1,0,0]=3 6704 B9R1.33 O=C1C=CSN1CCO Amb23441692 [0,2,0,0,0,0|1,1,0]=4 6705 B9R1.33 O=C=Nc1occc1Br Amb35675853 [0,2,0,0,0,0|0,0,2]=4 6706 B9R1.33 O=CCc1occc1Br Amb28049072 [0,2,0,0,0,0|0,0,1]=3 6707 B9R1.33 O=CCc1sccc1Br Amb24534254 [0,2,0,0,0,0|0,1,1]=4 6708 B9R1.33 O=CCc1sccc1Cl Amb26509642 [0,2,0,0,0,0|0,1,1]=4 6709 B9R1.33 OCCc1ccsc1Br Amb28203635 [0,2,0,0,0,0|2,0,0]=4 6710 B9R1.33 OCCc1ccsc1Cl Amb28137304 [0,2,0,0,0,0|2,0,0]=4 6711 B9R1.33 OCCc1cocc1I Amb28202669 [0,2,0,0,0,0|2,0,0]=4 6712 B9R1.33 OCCc1cscc1Br Amb27838493 [0,2,0,0,0,0|2,0,0]=4 6713 B9R1.33 OCCc1cscc1Cl Amb32951040 [0,2,0,0,0,0|2,0,0]=4 6714 B9R1.33 OCCc1occc1Br Amb26397345 [0,2,0,0,0,0|0,0,0]=2 6715 B9R1.33 OCCc1sccc1Br Amb28076288 [0,2,0,0,0,0|0,1,0]=3 6716 B9R1.33 OCCc1sccc1Cl Amb26657502 [0,2,0,0,0,0|0,1,0]=3 6717 B9R1.33 OCCc1scnc1Br Amb32945201 [0,2,0,0,0,0|1,1,0]=4 6718 B9R1.33 OCCc1sncc1Br Amb33213574 [0,2,0,0,0,0|1,1,0]=4 6719 B9R1.33 OCCn1nccc1Cl Amb27810503 [0,2,0,0,0,0|2,0,0]=4 6720 B9R1.33 OCCn1nccc1I Amb28041764 [0,2,0,0,0,0|2,0,0]=4 6721 B9R1.33 OCCn1nccc1O Amb27952644 [0,2,0,0,0,0|2,0,0]=4 6722 B9R1.33 ONCc1cscc1Br Amb27956535 [0,2,0,0,0,0|2,0,0]=4 6723 B9R1.33 ONCc1sccc1Br Amb27205540 [0,2,0,0,0,0|0,1,0]=3 6724 B9R1.33 ONCc1sccc1Cl Amb26041704 [0,2,0,0,0,0|0,1,0]=3 6725 B9R1.33 O\N=C\c1occc1Br Amb27768798 [0,2,0,0,0,0|0,0,1]=3 6726 B9R1.33 O\N=C\c1sccc1Br Amb6346195 [0,2,0,0,0,0|0,1,1]=4 6727 B9R1.33 SCCc1sccc1Br Amb33387983 [0,2,0,0,0,0|0,2,0]=4 6728 B9R1.33 SCCc1sccc1Cl Amb33258013 [0,2,0,0,0,0|0,2,0]=4 6729 B9R1.33 [C-]#[N+]Cc1occc1C Amb33343819 [0,2,0,0,0,0|1,0,0]=3 6730 B9R1.33 [C-]#[N+]Cc1sccc1Br Amb33387138 [0,2,0,0,0,0|1,1,0]=4 6731 B9R1.33 [C-]#[N+]Cc1sccc1C Amb33203312 [0,2,0,0,0,0|1,1,0]=4 6732 B9R1.33 [C-]#[N+]Cc1sccc1Cl Amb33257617 [0,2,0,0,0,0|1,1,0]=4 6733 B9R1.14 BrCc1ccsc1CBr Amb25735651 [0,2,0,0,0,0|1,1,0]=4 6734 B9R1.14 C#Cc1ccnn1CO Amb28128180 [0,2,0,0,0,0|2,0,0]=4 6735 B9R1.14 C#Cc1ccoc1CN Amb28401307 [0,2,0,0,0,0|1,0,0]=3 6736 B9R1.14 C#Cc1ccsc1CN Amb27180528 [0,2,0,0,0,0|1,1,0]=4 6737 B9R1.14 C#Cc1sccc1CO Amb28207228 [0,2,0,0,0,0|2,0,0]=4 6738 B9R1.14 C#Cc1scnc1CO Amb28315473 [0,2,0,0,0,0|2,0,0]=4 6739 B9R1.14 C=Cn1cccc1CC Amb28249845 [0,2,0,0,0,0|2,0,0]=4 6740 B9R1.14 C=Cn1ccnc1CO Amb9201055 [0,2,0,0,0,0|2,0,0]=4 6741 B9R1.14 C=Cn1nccc1CO Amb27432210 [0,2,0,0,0,0|2,0,0]=4 6742 B9R1.14 CCc1cccn1CC Amb27843474 [0,2,0,0,0,0|2,0,0]=4 6743 B9R1.14 CCc1ccoc1C#N Amb33188883 [0,2,0,0,0,0|1,0,1]=4 6744 B9R1.14 CCc1ccoc1C=O Amb18139773 [0,2,0,0,0,0|0,0,2]=4 6745 B9R1.14 CCc1ccoc1CN Amb29860301 [0,2,0,0,0,0|1,0,0]=3 6746 B9R1.14 CCc1ccoc1CS Amb28292958 [0,2,0,0,0,0|0,1,0]=3 6747 B9R1.14 CCc1ccsc1CBr Amb27595243 [0,2,0,0,0,0|1,1,0]=4 6748 B9R1.14 CCc1ccsc1CCl Amb25686979 [0,2,0,0,0,0|1,1,0]=4 6749 B9R1.14 CCc1ccsc1CN Amb18954316 [0,2,0,0,0,0|1,1,0]=4 6750 B9R1.14 CCc1ccsc1CO Amb24352853 [0,2,0,0,0,0|0,1,0]=3 6751 B9R1.14 CCc1ccsc1CS Amb27186319 [0,2,0,0,0,0|0,2,0]=4 6752 B9R1.14 CCc1ncoc1CN Amb18832747 [0,2,0,0,0,0|2,0,0]=4 6753 B9R1.14 CCc1occc1C=O Amb18832921 [0,2,0,0,0,0|1,0,0]=3 6754 B9R1.14 CCc1occc1CO Amb27444076 [0,2,0,0,0,0|1,0,0]=3 6755 B9R1.14 CCc1occc1CS Amb27862619 [0,2,0,0,0,0|1,0,0]=3 6756 B9R1.14 CCc1occc1SC Amb27795113 [0,2,0,0,0,0|1,0,0]=3 6757 B9R1.14 CCc1ocnc1CO Amb28366815 [0,2,0,0,0,0|2,0,0]=4 6758 B9R1.14 CCc1oncc1C=O Amb18832856 [0,2,0,0,0,0|2,0,0]=4 6759 B9R1.14 CCc1oncc1CO Amb24417162 [0,2,0,0,0,0|2,0,0]=4 6760 B9R1.14 CCc1sccc1C=O Amb25868889 [0,2,0,0,0,0|1,1,0]=4 6761 B9R1.14 CCc1sccc1CO Amb27752318 [0,2,0,0,0,0|1,1,0]=4 6762 B9R1.14 CCn1cccc1CBr Amb22270986 [0,2,0,0,0,0|2,0,0]=4 6763 B9R1.14 CCn1cccc1CN Amb18251089 [0,2,0,0,0,0|2,0,0]=4 6764 B9R1.14 CCn1cccc1CO Amb837266 [0,2,0,0,0,0|1,0,0]=3 6765 B9R1.14 CCn1cccc1CS Amb22270990 [0,2,0,0,0,0|1,1,0]=4 6766 B9R1.14 CCn1cccc1C[O-] Amb22411416 [0,2,0,0,0,0|1,0,1]=4 6767 B9R1.14 CCn1cccc1C[O-] Amb32411914 [0,2,0,0,0,0|1,0,1]=4 6768 B9R1.14 CCn1ccnc1CO Amb7093337 [0,2,0,0,0,0|2,0,0]=4 6769 B9R1.14 CCn1cncc1CO Amb8503417 [0,2,0,0,0,0|2,0,0]=4 6770 B9R1.14 CCn1nccc1CO Amb6890431 [0,2,0,0,0,0|2,0,0]=4 6771 B9R1.14 COC1C=COC1CO Amb27755993 [0,2,0,0,0,0|0,0,2]=4 6772 B9R1.14 COc1ccoc1C=O Amb18832783 [0,2,0,0,0,0|0,0,2]=4 6773 B9R1.14 COc1ccoc1CS Amb25090900 [0,2,0,0,0,0|0,1,0]=3 6774 B9R1.14 COc1ccsc1CN Amb9677583 [0,2,0,0,0,0|1,1,0]=4 6775 B9R1.14 COc1ccsc1CO Amb16231069 [0,2,0,0,0,0|0,1,0]=3 6776 B9R1.14 COc1sccc1CO Amb27422738 [0,2,0,0,0,0|2,0,0]=4 6777 B9R1.14 N#Cc1ccoc1C#N Amb27263677 [0,2,0,0,0,0|1,0,1]=4 6778 B9R1.14 N#Cc1ccoc1C=O Amb18833003 [0,2,0,0,0,0|0,0,2]=4 6779 B9R1.14 N#Cc1ccoc1CS Amb26328829 [0,2,0,0,0,0|0,1,0]=3 6780 B9R1.14 N#Cc1ccsc1CO Amb24685120 [0,2,0,0,0,0|0,1,0]=3 6781 B9R1.14 N#Cc1occc1C=O Amb18833004 [0,2,0,0,0,0|1,0,1]=4 6782 B9R1.14 N#Cc1occc1CBr Amb27848666 [0,2,0,0,0,0|1,0,1]=4 6783 B9R1.14 NCc1ccsc1CO Amb32759351 [0,2,0,0,0,0|0,1,0]=3 6784 B9R1.14 O=Cc1ccsc1CO Amb24665662 [0,2,0,0,0,0|0,1,0]=3 6785 B9R1.14 O=Cc1cocc1CO Amb2610310 [0,2,0,0,0,0|2,0,0]=4 6786 B9R1.14 OCc1ccoc1CO Amb25226420 [0,2,0,0,0,0|0,0,0]=2 6787 B9R1.14 OCc1ccsc1CO Amb2236395 [0,2,0,0,0,0|0,1,0]=3 6788 B9R1.14 OCc1cocc1CO Amb23589212 [0,2,0,0,0,0|2,0,0]=4 6789 B9R1.14 OCc1cscc1CO Amb27662570 [0,2,0,0,0,0|2,0,0]=4 6790 B9R1.14 OCc1nccn1CO Amb27167644 [0,2,0,0,0,0|2,0,0]=4 6791 B9R1.14 OCc1ncsc1CO Amb22749254 [0,2,0,0,0,0|1,1,0]=4 6792 B9R1.27 CCc1c(C)ccn1C Amb28145539 [0,2,0,0,0,0|2,0,0]=4 6793 B9R1.27 Cc1ccc(C)n1CO Amb26930214 [0,2,0,0,0,0|2,0,0]=4 6794 B9R1.27 Cc1ccn(C)c1CO Amb23441151 [0,2,0,0,0,0|1,0,0]=3 6795 B9R1.27 Cc1cnn(C)c1CO Amb24269234 [0,2,0,0,0,0|2,0,0]=4 6796 B9R1.27 Cc1csc(C)c1CO Amb25296332 [0,2,0,0,0,0|2,0,0]=4 6797 B9R1.27 Cc1ncn(C)c1CO Amb27950167 [0,2,0,0,0,0|2,0,0]=4 6798 B9R1.27 Cn1cnc(Br)c1CO Amb23441159 [0,2,0,0,0,0|2,0,0]=4 6799 B9R1.27 Cn1ncc(Br)c1CO Amb20619739 [0,2,0,0,0,0|2,0,0]=4 6800 B9R1.27 Cn1ncc(Cl)c1CO Amb20619725 [0,2,0,0,0,0|2,0,0]=4 6801 B9R1.27 Cn1ncc(I)c1CO Amb25091672 [0,2,0,0,0,0|2,0,0]=4 6802 B9R1.27 O=C1C=CC(=O)N1CO Amb17616653 [0,2,0,0,0,0|2,0,0]=4 6803 B9R1.27 OCc1c(F)coc1Br Amb27665925 [0,2,0,0,0,0|2,0,0]=4 6804 B7R1.3 O=C1C=CCOC1 Amb22234519 [0,0,1,1,0,0|0,0,2]=4 6805 B7R1.3 OC1C=CCOC1 Amb25662556 [0,0,1,1,0,0|0,0,2]=4 6806 B7R1.3 O[C@H]1C=CCOC1 Amb8393976 [0,0,1,1,0,0|0,0,2]=4 6807 B7R1.3 Oc1ccccc1 Amb2793000 [0,0,1,1,0,0|1,0,1]=4 6808 B7R1.3 Oc1ccccc1 Amb34916329 [0,0,1,1,0,0|1,0,1]=4 6809 B7R1.3 Oc1ccccn1 Amb2609925 [0,0,1,1,0,0|2,0,0]=4 6810 B7R1.3 Oc1ccccn1 Amb33716976 [0,0,1,1,0,0|2,0,0]=4 6811 B7R1.3 Oc1cccnc1 Amb534212 [0,0,1,1,0,0|1,0,1]=4 6812 B7R1.3 Oc1cccnn1 Amb2610009 [0,0,1,1,0,0|2,0,0]=4 6813 B7R1.9 C=C[C@@H]1O[C@H]1CO Amb27255222 [0,0,1,1,0,0|0,0,2]=4 6814 B7R1.9 C=C[C@H]1O[C@@H]1CO Amb27202389 [0,0,1,1,0,0|0,0,2]=4 6815 B7R1.9 C=C[C@H]1O[C@H]1CO Amb28061903 [0,0,1,1,0,0|0,0,2]=4 6816 B7R1.24 C1=CC=CCC=C1 Amb6609003 [0,0,1,1,0,0|2,0,0]=4 6817 B7R1.24 C1=CCCCC=C1 Amb22002708 [0,0,1,1,0,0|2,0,0]=4 6818 B7R1.29 C=CC1(CO)CO1 Amb27250857 [0,0,1,1,0,0|0,0,2]=4 6819 B9R2.50 C1=CCC2=C(C1)CC2 Amb17778803 [0,0,0,1,0,1|2,0,0]=4 6820 B9R2.50 c1ccc2c(c1)CC2 Amb17778802 [0,0,0,1,0,1|2,0,0]=4 6821 B9R2.50 c1ccc2c(c1)CN2 Amb27460936 [0,0,0,1,0,1|2,0,0]=4 6822 B9R2.39 O[C@@H]1C[C@H]2C=C[C@@H]1O2 Amb28345331 [0,1,0,1,0,0|0,0,2]=4 6823 B9R2.2 c1cc(C2CO2)co1 Amb24483221 [0,1,0,1,0,0|2,0,0]=4 6824 B9R2.2 c1cc(C2CO2)cs1 Amb26515734 [0,1,0,1,0,0|2,0,0]=4 6825 B9R2.2 c1cc(C2CO2)no1 Amb33198772 [0,1,0,1,0,0|2,0,0]=4 6826 B9R2.2 c1cc(C2CO2)sn1 Amb35731168 [0,1,0,1,0,0|1,1,0]=4 6827 B9R2.2 c1cc([C@@H]2CO2)co1 Amb33360079 [0,1,0,1,0,0|2,0,0]=4 6828 B9R2.2 c1cc([C@@H]2CO2)cs1 Amb27410328 [0,1,0,1,0,0|2,0,0]=4 6829 B9R2.2 c1cc([C@@H]2CO2)no1 Amb33198957 [0,1,0,1,0,0|2,0,0]=4 6830 B9R2.2 c1cc([C@H]2CO2)co1 Amb33360230 [0,1,0,1,0,0|2,0,0]=4 6831 B9R2.2 c1cc([C@H]2CO2)cs1 Amb27648615 [0,1,0,1,0,0|2,0,0]=4 6832 B9R2.2 c1cc([C@H]2CO2)no1 Amb33199023 [0,1,0,1,0,0|2,0,0]=4 6833 B9R2.2 c1coc(C2CC2)c1 Amb24323177 [0,1,0,1,0,0|1,0,0]=3 6834 B9R2.2 c1coc(C2CC2)n1 Amb17399789 [0,1,0,1,0,0|2,0,0]=4 6835 B9R2.2 c1coc(C2CN2)c1 Amb18224247 [0,1,0,1,0,0|1,0,0]=3 6836 B9R2.2 c1coc(C2CO2)c1 Amb1135121 [0,1,0,1,0,0|0,0,0]=2 6837 B9R2.2 c1coc(C2CS2)c1 Amb28367857 [0,1,0,1,0,0|0,1,0]=3 6838 B9R2.2 c1coc([C@@H]2CO2)c1 Amb33360896 [0,1,0,1,0,0|0,0,0]=2 6839 B9R2.2 c1coc([C@H]2CO2)c1 Amb33360893 [0,1,0,1,0,0|0,0,0]=2 6840 B9R2.2 c1csc(C2CC2)c1 Amb24323171 [0,1,0,1,0,0|1,1,0]=4 6841 B9R2.2 c1csc(C2CN2)c1 Amb18222208 [0,1,0,1,0,0|1,1,0]=4 6842 B9R2.2 c1csc(C2CO2)c1 Amb1140287 [0,1,0,1,0,0|0,1,0]=3 6843 B9R2.2 c1csc(C2CO2)n1 Amb26850759 [0,1,0,1,0,0|1,1,0]=4 6844 B9R2.2 c1csc([C@@H]2CO2)c1 Amb24384733 [0,1,0,1,0,0|0,1,0]=3 6845 B9R2.2 c1csc([C@@H]2CO2)n1 Amb27952634 [0,1,0,1,0,0|1,1,0]=4 6846 B9R2.2 c1csc([C@H]2CO2)c1 Amb27395531 [0,1,0,1,0,0|0,1,0]=3 6847 B9R2.2 c1csc([C@H]2CO2)n1 Amb25126543 [0,1,0,1,0,0|1,1,0]=4 6848 B9R2.2 c1nc(C2CO2)cs1 Amb25067225 [0,1,0,1,0,0|2,0,0]=4 6849 B9R2.2 c1nc([C@@H]2CO2)cs1 Amb33417263 [0,1,0,1,0,0|2,0,0]=4 6850 B9R2.2 c1nc([C@H]2CO2)cs1 Amb33417249 [0,1,0,1,0,0|2,0,0]=4 6851 B9R2.2 c1ncc(C2CC2)o1 Amb27624972 [0,1,0,1,0,0|2,0,0]=4 6852 B9R2.2 c1ncc(C2CO2)o1 Amb33415266 [0,1,0,1,0,0|1,0,0]=3 6853 B9R2.2 c1ncc(C2CO2)s1 Amb24097147 [0,1,0,1,0,0|1,1,0]=4 6854 B9R2.2 c1ncc([C@@H]2CO2)o1 Amb33226884 [0,1,0,1,0,0|1,0,0]=3 6855 B9R2.2 c1ncc([C@@H]2CO2)s1 Amb33268651 [0,1,0,1,0,0|1,1,0]=4 6856 B9R2.2 c1ncc([C@H]2CO2)o1 Amb33319172 [0,1,0,1,0,0|1,0,0]=3 6857 B9R2.2 c1ncc([C@H]2CO2)s1 Amb33268006 [0,1,0,1,0,0|1,1,0]=4 6858 B9R2.3 c1cc2c(o1)CNC2 Amb18203409 [0,1,0,1,0,0|1,0,0]=3 6859 B9R2.3 c1cc2c(o1)NCC2 Amb18833124 [0,1,0,1,0,0|1,0,0]=3 6860 B9R2.3 c1cc2c(s1)CCN2 Amb18203309 [0,1,0,1,0,0|1,1,0]=4 6861 B9R2.3 c1cc2c(s1)CNC2 Amb18203310 [0,1,0,1,0,0|1,1,0]=4 6862 B9R2.3 c1cc2c(s1)CSC2 Amb24714226 [0,1,0,1,0,0|0,2,0]=4 6863 B9R2.3 c1cc2c(s1)NCC2 Amb18203312 [0,1,0,1,0,0|1,1,0]=4 6864 B9R2.3 c1cc2cscc2o1 Amb27817005 [0,1,0,1,0,0|0,1,1]=4 6865 B9R2.3 c1cc2n(c1)CCC2 Amb17689384 [0,1,0,1,0,0|2,0,0]=4 6866 B9R2.3 c1cc2scnc2o1 Amb23412528 [0,1,0,1,0,0|0,1,1]=4 6867 B9R2.3 c1nc2c(o1)CNC2 Amb18833121 [0,1,0,1,0,0|2,0,0]=4 6868 B9R2.3 c1nc2c(s1)SCO2 Amb27803822 [0,1,0,1,0,0|1,1,0]=4 6869 B9R2.3 c1noc2c1CCN2 Amb18833119 [0,1,0,1,0,0|2,0,0]=4 6870 B9R2.3 c1noc2c1CNC2 Amb18833118 [0,1,0,1,0,0|2,0,0]=4 6871 B9R2.3 c1scc2c1OCO2 Amb27633677 [0,1,0,1,0,0|2,0,0]=4 6872 B5R1.2 O=C1C=CC1 Amb24477666 [1,0,0,0,1,0|0,0,2]=4 6873 B5R1.3 OCC1CO1 Amb6891957 [0,0,0,0,2,0|0,0,2]=4 6874 B5R1.3 OC[C@@H]1CO1 Amb8389331 [0,0,0,0,2,0|0,0,2]=4 6875 B5R1.3 OC[C@H]1CO1 Amb8396602 [0,0,0,0,2,0|0,0,2]=4 6876 B9R1.89 BrCC1=CC=CC=CC1 Amb28137481 [0,0,0,0,0,2|2,0,0]=4 6877 B9R1.89 OCC1=CCC=CCC1 Amb28315414 [0,0,0,0,0,2|1,0,0]=3 6878 B9R1.89 OC[C@@H]1C=CCC=CC1 Amb27418283 [0,0,0,0,0,2|1,0,1]=4 6879 B9R1.89 OC[C@H]1C=CCC=CC1 Amb27653026 [0,0,0,0,0,2|1,0,1]=4