0 B7R1.1 BrC=C1C=CC=C1 Amb28118986 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.1 BrC=C1OCCO1 Amb25697137 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.1 BrCN1NC=CO1 Amb27878595 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.1 BrCc1cccs1 Amb10602501 [0,0,0,0,0,0|1,1,1]=3 4 B7R1.1 BrCc1ccno1 Amb19338117 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.1 BrCc1ccns1 Amb20242134 [0,0,0,0,0,0|2,1,1]=4 6 B7R1.1 BrCc1ccoc1 Amb33543824 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.1 BrCc1ccon1 Amb18183486 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.1 BrCc1ccsc1 Amb33528728 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.1 BrCc1cocn1 Amb10071194 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.1 BrCc1cocn1 Amb24105437 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.1 BrCc1cscn1 Amb22728093 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.1 BrCc1cscn1 Amb8630251 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.1 BrCc1nccs1 Amb10602038 [0,0,0,0,0,0|2,1,1]=4 14 B7R1.1 BrCc1nccs1 Amb21857626 [0,0,0,0,0,0|2,1,1]=4 15 B7R1.1 BrCc1ncno1 Amb28050436 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.1 BrCn1cccc1 Amb28121283 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.1 BrCn1cccn1 Amb24557786 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.1 BrCn1cccn1 Amb33537342 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.1 Br[Zn]c1cccs1 Amb6300113 [0,0,0,0,0,0|2,1,0]=3 20 B7R1.1 Br[Zn]c1nccs1 Amb22000385 [0,0,0,0,0,0|3,1,0]=4 21 B7R1.1 Br\C=C1\COCO1 Amb27656799 [0,0,0,0,0,0|2,0,2]=4 22 B7R1.1 C#C[c-]1cccc1 Amb34197080 [0,0,0,0,0,0|2,0,2]=4 23 B7R1.1 C#Cc1ccco1 Amb24178904 [0,0,0,0,0,0|1,0,1]=2 24 B7R1.1 C#Cc1cccs1 Amb2721505 [0,0,0,0,0,0|1,1,1]=3 25 B7R1.1 C#Cc1ccns1 Amb25138875 [0,0,0,0,0,0|2,1,1]=4 26 B7R1.1 C#Cc1ccoc1 Amb25283258 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.1 C#Cc1ccon1 Amb33168930 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.1 C#Cc1ccsc1 Amb10603690 [0,0,0,0,0,0|3,0,1]=4 29 B7R1.1 C#Cc1ccsn1 Amb26347975 [0,0,0,0,0,0|3,0,1]=4 30 B7R1.1 C#Cc1cnco1 Amb26572112 [0,0,0,0,0,0|2,0,1]=3 31 B7R1.1 C#Cc1cncs1 Amb24071349 [0,0,0,0,0,0|2,1,1]=4 32 B7R1.1 C#Cc1cocn1 Amb26888554 [0,0,0,0,0,0|3,0,1]=4 33 B7R1.1 C#Cc1cscn1 Amb22284777 [0,0,0,0,0,0|3,0,1]=4 34 B7R1.1 C#Cc1nccs1 Amb22170067 [0,0,0,0,0,0|2,1,1]=4 35 B7R1.1 C=CC1=NCCO1 Amb28399250 [0,0,0,0,0,0|2,0,2]=4 36 B7R1.1 C=C[c-]1cccc1 Amb34916052 [0,0,0,0,0,0|2,0,1]=3 37 B7R1.1 C=Cc1ccco1 Amb22295842 [0,0,0,0,0,0|1,0,0]=1 38 B7R1.1 C=Cc1cccs1 Amb33542804 [0,0,0,0,0,0|1,1,0]=2 39 B7R1.1 C=Cc1ccns1 Amb26936370 [0,0,0,0,0,0|2,1,0]=3 40 B7R1.1 C=Cc1ccoc1 Amb24056798 [0,0,0,0,0,0|3,0,0]=3 41 B7R1.1 C=Cc1ccon1 Amb33197567 [0,0,0,0,0,0|3,0,0]=3 42 B7R1.1 C=Cc1ccsc1 Amb22263008 [0,0,0,0,0,0|3,0,0]=3 43 B7R1.1 C=Cc1cnco1 Amb26628199 [0,0,0,0,0,0|2,0,0]=2 44 B7R1.1 C=Cc1cncs1 Amb24395972 [0,0,0,0,0,0|2,1,0]=3 45 B7R1.1 C=Cc1cnsn1 Amb27850427 [0,0,0,0,0,0|4,0,0]=4 46 B7R1.1 C=Cc1csnn1 Amb25169577 [0,0,0,0,0,0|4,0,0]=4 47 B7R1.1 C=Cc1nccs1 Amb24056329 [0,0,0,0,0,0|2,1,0]=3 48 B7R1.1 C=Cc1nncs1 Amb27806194 [0,0,0,0,0,0|3,1,0]=4 49 B7R1.1 C=Cn1cccc1 Amb25810319 [0,0,0,0,0,0|3,0,0]=3 50 B7R1.1 C=Cn1cccn1 Amb24583489 [0,0,0,0,0,0|3,0,0]=3 51 B7R1.1 C=Cn1ccnc1 Amb6608648 [0,0,0,0,0,0|4,0,0]=4 52 B7R1.1 C=Cn1ccnn1 Amb33482727 [0,0,0,0,0,0|4,0,0]=4 53 B7R1.1 C=Cn1cncn1 Amb2709525 [0,0,0,0,0,0|4,0,0]=4 54 B7R1.1 CCC1C=CC=C1 Amb2227637 [0,0,0,0,0,0|2,0,2]=4 55 B7R1.1 CC[c-]1cccc1 Amb34916048 [0,0,0,0,0,0|2,0,2]=4 56 B7R1.1 CCc1ccco1 Amb8393153 [0,0,0,0,0,0|1,0,1]=2 57 B7R1.1 CCc1cccs1 Amb2687955 [0,0,0,0,0,0|1,1,1]=3 58 B7R1.1 CCc1ccoc1 Amb28059964 [0,0,0,0,0,0|3,0,1]=4 59 B7R1.1 CCc1ccsc1 Amb2687956 [0,0,0,0,0,0|3,0,1]=4 60 B7R1.1 CCc1cnco1 Amb22490969 [0,0,0,0,0,0|2,0,1]=3 61 B7R1.1 CCc1cncs1 Amb25663104 [0,0,0,0,0,0|2,1,1]=4 62 B7R1.1 CCc1cocn1 Amb25073231 [0,0,0,0,0,0|3,0,1]=4 63 B7R1.1 CCc1cscn1 Amb13884091 [0,0,0,0,0,0|3,0,1]=4 64 B7R1.1 CCc1ncco1 Amb17399786 [0,0,0,0,0,0|2,0,1]=3 65 B7R1.1 CCc1nccs1 Amb10601013 [0,0,0,0,0,0|2,1,1]=4 66 B7R1.1 CCc1nnco1 Amb2208686 [0,0,0,0,0,0|3,0,1]=4 67 B7R1.1 CCn1cccc1 Amb2687940 [0,0,0,0,0,0|3,0,1]=4 68 B7R1.1 CCn1cccn1 Amb1934294 [0,0,0,0,0,0|3,0,1]=4 69 B7R1.1 CNc1ccon1 Amb18281002 [0,0,0,0,0,0|4,0,0]=4 70 B7R1.1 CNc1ccon1 Amb30584677 [0,0,0,0,0,0|4,0,0]=4 71 B7R1.1 CNc1ccsc1 Amb20620164 [0,0,0,0,0,0|4,0,0]=4 72 B7R1.1 CNc1ccsc1 Amb28827635 [0,0,0,0,0,0|4,0,0]=4 73 B7R1.1 CNc1ccsn1 Amb25063572 [0,0,0,0,0,0|4,0,0]=4 74 B7R1.1 CNc1cnco1 Amb22490689 [0,0,0,0,0,0|3,0,0]=3 75 B7R1.1 CNc1cnco1 Amb25932132 [0,0,0,0,0,0|3,0,0]=3 76 B7R1.1 CNc1cncs1 Amb22492450 [0,0,0,0,0,0|3,1,0]=4 77 B7R1.1 CNc1ncco1 Amb21856873 [0,0,0,0,0,0|3,0,0]=3 78 B7R1.1 CNc1nccs1 Amb6620126 [0,0,0,0,0,0|3,1,0]=4 79 B7R1.1 CNc1nnco1 Amb24117942 [0,0,0,0,0,0|4,0,0]=4 80 B7R1.1 COC1=NCC=C1 Amb27877548 [0,0,0,0,0,0|3,0,1]=4 81 B7R1.1 COc1ccco1 Amb8513561 [0,0,0,0,0,0|2,0,0]=2 82 B7R1.1 COc1cccs1 Amb2689282 [0,0,0,0,0,0|2,1,0]=3 83 B7R1.1 COc1ccno1 Amb27591646 [0,0,0,0,0,0|3,0,0]=3 84 B7R1.1 COc1ccsc1 Amb8517358 [0,0,0,0,0,0|4,0,0]=4 85 B7R1.1 COc1ccsn1 Amb23592267 [0,0,0,0,0,0|4,0,0]=4 86 B7R1.1 COc1cncs1 Amb28050388 [0,0,0,0,0,0|3,1,0]=4 87 B7R1.1 COc1cocn1 Amb27445542 [0,0,0,0,0,0|4,0,0]=4 88 B7R1.1 COc1nccs1 Amb2447656 [0,0,0,0,0,0|3,1,0]=4 89 B7R1.1 CSc1ccco1 Amb21961438 [0,0,0,0,0,0|2,0,0]=2 90 B7R1.1 CSc1cccs1 Amb2724421 [0,0,0,0,0,0|2,1,0]=3 91 B7R1.1 CSc1ccno1 Amb27781087 [0,0,0,0,0,0|3,0,0]=3 92 B7R1.1 CSc1ccsc1 Amb2780309 [0,0,0,0,0,0|4,0,0]=4 93 B7R1.1 CSc1cncs1 Amb26647426 [0,0,0,0,0,0|3,1,0]=4 94 B7R1.1 CSc1ncco1 Amb21961333 [0,0,0,0,0,0|3,0,0]=3 95 B7R1.1 CSc1nccs1 Amb2689744 [0,0,0,0,0,0|3,1,0]=4 96 B7R1.1 C[Se]c1ccsc1 Amb17779305 [0,0,0,0,0,0|4,0,0]=4 97 B7R1.1 C[SiH2]c1ccco1 Amb28368539 [0,0,0,0,0,0|1,1,0]=2 98 B7R1.1 ClCc1cccs1 Amb6717230 [0,0,0,0,0,0|1,1,1]=3 99 B7R1.1 ClCc1ccno1 Amb1090466 [0,0,0,0,0,0|2,0,1]=3 100 B7R1.1 ClCc1ccns1 Amb26494109 [0,0,0,0,0,0|2,1,1]=4 101 B7R1.1 ClCc1ccoc1 Amb8999150 [0,0,0,0,0,0|3,0,1]=4 102 B7R1.1 ClCc1ccon1 Amb1087842 [0,0,0,0,0,0|3,0,1]=4 103 B7R1.1 ClCc1ccsc1 Amb33528072 [0,0,0,0,0,0|3,0,1]=4 104 B7R1.1 ClCc1ccsn1 Amb25113916 [0,0,0,0,0,0|3,0,1]=4 105 B7R1.1 ClCc1cnco1 Amb21520456 [0,0,0,0,0,0|2,0,1]=3 106 B7R1.1 ClCc1cnco1 Amb33624970 [0,0,0,0,0,0|2,0,1]=3 107 B7R1.1 ClCc1cncs1 Amb18917909 [0,0,0,0,0,0|2,1,1]=4 108 B7R1.1 ClCc1cncs1 Amb33550110 [0,0,0,0,0,0|2,1,1]=4 109 B7R1.1 ClCc1cocn1 Amb21857138 [0,0,0,0,0,0|3,0,1]=4 110 B7R1.1 ClCc1cscn1 Amb1154587 [0,0,0,0,0,0|3,0,1]=4 111 B7R1.1 ClCc1cscn1 Amb2371224 [0,0,0,0,0,0|3,0,1]=4 112 B7R1.1 ClCc1ncco1 Amb10602092 [0,0,0,0,0,0|2,0,1]=3 113 B7R1.1 ClCc1nccs1 Amb10603583 [0,0,0,0,0,0|2,1,1]=4 114 B7R1.1 ClCc1nccs1 Amb21857625 [0,0,0,0,0,0|2,1,1]=4 115 B7R1.1 ClCc1ncno1 Amb6892634 [0,0,0,0,0,0|3,0,1]=4 116 B7R1.1 ClCc1nnco1 Amb33529535 [0,0,0,0,0,0|3,0,1]=4 117 B7R1.1 ClCn1cccn1 Amb10601542 [0,0,0,0,0,0|3,0,1]=4 118 B7R1.1 ClCn1cccn1 Amb25084521 [0,0,0,0,0,0|3,0,1]=4 119 B7R1.1 ClSc1nccs1 Amb27962460 [0,0,0,0,0,0|3,1,0]=4 120 B7R1.1 Cl[SiH2]c1nccs1 Amb27482094 [0,0,0,0,0,0|2,2,0]=4 121 B7R1.1 FCc1cccs1 Amb26568225 [0,0,0,0,0,0|1,1,1]=3 122 B7R1.1 FCn1cccn1 Amb32428321 [0,0,0,0,0,0|3,0,1]=4 123 B7R1.1 ICc1ccns1 Amb35678895 [0,0,0,0,0,0|2,1,1]=4 124 B7R1.1 ICc1ccon1 Amb27838230 [0,0,0,0,0,0|3,0,1]=4 125 B7R1.1 ICc1nccs1 Amb24641632 [0,0,0,0,0,0|2,1,1]=4 126 B7R1.1 I[Zn]c1ccsc1 Amb6300273 [0,0,0,0,0,0|4,0,0]=4 127 B7R1.1 N#CC1=CCCO1 Amb19149010 [0,0,0,0,0,0|1,0,3]=4 128 B7R1.1 N#CC1=NCC=C1 Amb27438641 [0,0,0,0,0,0|2,0,2]=4 129 B7R1.1 N#Cc1ccco1 Amb1694826 [0,0,0,0,0,0|1,0,1]=2 130 B7R1.1 N#Cc1cccs1 Amb1154392 [0,0,0,0,0,0|1,1,1]=3 131 B7R1.1 N#Cc1ccno1 Amb22292333 [0,0,0,0,0,0|2,0,1]=3 132 B7R1.1 N#Cc1ccns1 Amb26350575 [0,0,0,0,0,0|2,1,1]=4 133 B7R1.1 N#Cc1ccoc1 Amb8514869 [0,0,0,0,0,0|3,0,1]=4 134 B7R1.1 N#Cc1ccon1 Amb8394613 [0,0,0,0,0,0|3,0,1]=4 135 B7R1.1 N#Cc1ccsc1 Amb2725780 [0,0,0,0,0,0|3,0,1]=4 136 B7R1.1 N#Cc1ccsn1 Amb19894959 [0,0,0,0,0,0|3,0,1]=4 137 B7R1.1 N#Cc1cnco1 Amb21520457 [0,0,0,0,0,0|2,0,1]=3 138 B7R1.1 N#Cc1cncs1 Amb10602916 [0,0,0,0,0,0|2,1,1]=4 139 B7R1.1 N#Cc1cocn1 Amb10071472 [0,0,0,0,0,0|3,0,1]=4 140 B7R1.1 N#Cc1cscn1 Amb2608229 [0,0,0,0,0,0|3,0,1]=4 141 B7R1.1 N#Cc1ncco1 Amb19889630 [0,0,0,0,0,0|2,0,1]=3 142 B7R1.1 N#Cc1nccs1 Amb19957521 [0,0,0,0,0,0|2,1,1]=4 143 B7R1.1 NCc1ccco1 Amb2720356 [0,0,0,0,0,0|1,0,1]=2 144 B7R1.1 NCc1ccco1 Amb29847168 [0,0,0,0,0,0|1,0,1]=2 145 B7R1.1 NCc1cccs1 Amb20622043 [0,0,0,0,0,0|1,1,1]=3 146 B7R1.1 NCc1cccs1 Amb2720340 [0,0,0,0,0,0|1,1,1]=3 147 B7R1.1 NCc1ccno1 Amb10604134 [0,0,0,0,0,0|2,0,1]=3 148 B7R1.1 NCc1ccno1 Amb8009402 [0,0,0,0,0,0|2,0,1]=3 149 B7R1.1 NCc1ccns1 Amb23441021 [0,0,0,0,0,0|2,1,1]=4 150 B7R1.1 NCc1ccns1 Amb28827633 [0,0,0,0,0,0|2,1,1]=4 151 B7R1.1 NCc1ccns1 Amb32667329 [0,0,0,0,0,0|2,1,1]=4 152 B7R1.1 NCc1ccoc1 Amb2723044 [0,0,0,0,0,0|3,0,1]=4 153 B7R1.1 NCc1ccoc1 Amb2723045 [0,0,0,0,0,0|3,0,1]=4 154 B7R1.1 NCc1ccon1 Amb20241091 [0,0,0,0,0,0|3,0,1]=4 155 B7R1.1 NCc1ccon1 Amb9767622 [0,0,0,0,0,0|3,0,1]=4 156 B7R1.1 NCc1ccsc1 Amb1140991 [0,0,0,0,0,0|3,0,1]=4 157 B7R1.1 NCc1ccsc1 Amb6487448 [0,0,0,0,0,0|3,0,1]=4 158 B7R1.1 NCc1ccsn1 Amb18203360 [0,0,0,0,0,0|3,0,1]=4 159 B7R1.1 NCc1ccsn1 Amb32662546 [0,0,0,0,0,0|3,0,1]=4 160 B7R1.1 NCc1cnco1 Amb10604053 [0,0,0,0,0,0|2,0,1]=3 161 B7R1.1 NCc1cnco1 Amb23400902 [0,0,0,0,0,0|2,0,1]=3 162 B7R1.1 NCc1cnco1 Amb8009401 [0,0,0,0,0,0|2,0,1]=3 163 B7R1.1 NCc1cncs1 Amb1087821 [0,0,0,0,0,0|2,1,1]=4 164 B7R1.1 NCc1cncs1 Amb13883008 [0,0,0,0,0,0|2,1,1]=4 165 B7R1.1 NCc1cncs1 Amb13891841 [0,0,0,0,0,0|2,1,1]=4 166 B7R1.1 NCc1cocn1 Amb10603799 [0,0,0,0,0,0|3,0,1]=4 167 B7R1.1 NCc1cocn1 Amb8009400 [0,0,0,0,0,0|3,0,1]=4 168 B7R1.1 NCc1cscn1 Amb22586640 [0,0,0,0,0,0|3,0,1]=4 169 B7R1.1 NCc1cscn1 Amb22750751 [0,0,0,0,0,0|3,0,1]=4 170 B7R1.1 NCc1cscn1 Amb8009707 [0,0,0,0,0,0|3,0,1]=4 171 B7R1.1 NCc1ncco1 Amb19929809 [0,0,0,0,0,0|2,0,1]=3 172 B7R1.1 NCc1ncco1 Amb8009700 [0,0,0,0,0,0|2,0,1]=3 173 B7R1.1 NCc1nccs1 Amb17935776 [0,0,0,0,0,0|2,1,1]=4 174 B7R1.1 NCc1nccs1 Amb2684480 [0,0,0,0,0,0|2,1,1]=4 175 B7R1.1 NCc1nccs1 Amb5740479 [0,0,0,0,0,0|2,1,1]=4 176 B7R1.1 NCc1ncno1 Amb33328549 [0,0,0,0,0,0|3,0,1]=4 177 B7R1.1 NCc1ncno1 Amb8009404 [0,0,0,0,0,0|3,0,1]=4 178 B7R1.1 NCc1nnco1 Amb22756572 [0,0,0,0,0,0|3,0,1]=4 179 B7R1.1 NCc1nnco1 Amb5294921 [0,0,0,0,0,0|3,0,1]=4 180 B7R1.1 NCn1cccc1 Amb27202741 [0,0,0,0,0,0|3,0,1]=4 181 B7R1.1 NNC1=CCCO1 Amb27461530 [0,0,0,0,0,0|2,0,2]=4 182 B7R1.1 NNc1ccco1 Amb18203069 [0,0,0,0,0,0|2,0,0]=2 183 B7R1.1 NNc1cccs1 Amb18203361 [0,0,0,0,0,0|2,1,0]=3 184 B7R1.1 NNc1ccon1 Amb28367341 [0,0,0,0,0,0|4,0,0]=4 185 B7R1.1 NNc1ncco1 Amb18120860 [0,0,0,0,0,0|3,0,0]=3 186 B7R1.1 NNc1nccs1 Amb1120140 [0,0,0,0,0,0|3,1,0]=4 187 B7R1.1 NNc1nccs1 Amb22757179 [0,0,0,0,0,0|3,1,0]=4 188 B7R1.1 N\C=C1\C=CC=N1 Amb27623643 [0,0,0,0,0,0|2,0,0]=2 189 B7R1.1 N\C=C1\C=CN=C1 Amb28368683 [0,0,0,0,0,0|3,0,0]=3 190 B7R1.1 O=C=C1CC=CN1 Amb27851531 [0,0,0,0,0,0|1,0,2]=3 191 B7R1.1 O=C=C1NC=CN1 Amb27209383 [0,0,0,0,0,0|2,0,1]=3 192 B7R1.1 O=CC1=CC=CC1 Amb25799627 [0,0,0,0,0,0|1,0,0]=1 193 B7R1.1 O=CC1=CCCC1 Amb17138358 [0,0,0,0,0,0|1,0,2]=3 194 B7R1.1 O=CC1=CCCO1 Amb18120782 [0,0,0,0,0,0|0,0,2]=2 195 B7R1.1 O=CC1=CCSC1 Amb423472 [0,0,0,0,0,0|2,0,1]=3 196 B7R1.1 O=CC1=COCC1 Amb18120774 [0,0,0,0,0,0|2,0,1]=3 197 B7R1.1 O=CC1=NCCS1 Amb27799744 [0,0,0,0,0,0|1,1,2]=4 198 B7R1.1 O=CC1=NOCC1 Amb35788708 [0,0,0,0,0,0|2,0,2]=4 199 B7R1.1 O=CC1C=CC=C1 Amb27408563 [0,0,0,0,0,0|1,0,1]=2 200 B7R1.1 O=CC1C=CCC1 Amb27229924 [0,0,0,0,0,0|1,0,2]=3 201 B7R1.1 O=CC1CC=CC1 Amb18638871 [0,0,0,0,0,0|1,0,2]=3 202 B7R1.1 O=CC1CCCO1 Amb3939388 [0,0,0,0,0,0|0,0,4]=4 203 B7R1.1 O=CC1OCCO1 Amb27592967 [0,0,0,0,0,0|1,0,3]=4 204 B7R1.1 O=CN1CC=CC1 Amb27978047 [0,0,0,0,0,0|2,0,1]=3 205 B7R1.1 O=C[c-]1cccc1 Amb22168256 [0,0,0,0,0,0|1,0,1]=2 206 B7R1.1 O=C[c-]1cccc1 Amb33801815 [0,0,0,0,0,0|1,0,1]=2 207 B7R1.1 O=Cc1ccco1 Amb2720358 [0,0,0,0,0,0|0,0,0]=0 208 B7R1.1 O=Cc1cccs1 Amb2690601 [0,0,0,0,0,0|0,1,0]=1 209 B7R1.1 O=Cc1ccno1 Amb33546951 [0,0,0,0,0,0|1,0,0]=1 210 B7R1.1 O=Cc1ccns1 Amb8010934 [0,0,0,0,0,0|1,1,0]=2 211 B7R1.1 O=Cc1ccoc1 Amb2720357 [0,0,0,0,0,0|2,0,0]=2 212 B7R1.1 O=Cc1ccon1 Amb8009575 [0,0,0,0,0,0|2,0,0]=2 213 B7R1.1 O=Cc1ccsc1 Amb2720343 [0,0,0,0,0,0|2,0,0]=2 214 B7R1.1 O=Cc1ccsn1 Amb8010932 [0,0,0,0,0,0|2,0,0]=2 215 B7R1.1 O=Cc1cnco1 Amb8010823 [0,0,0,0,0,0|1,0,0]=1 216 B7R1.1 O=Cc1cncs1 Amb2455730 [0,0,0,0,0,0|1,1,0]=2 217 B7R1.1 O=Cc1cnno1 Amb8010941 [0,0,0,0,0,0|2,0,0]=2 218 B7R1.1 O=Cc1cnns1 Amb8010940 [0,0,0,0,0,0|2,1,0]=3 219 B7R1.1 O=Cc1cnoc1 Amb8009355 [0,0,0,0,0,0|3,0,0]=3 220 B7R1.1 O=Cc1cnon1 Amb18199365 [0,0,0,0,0,0|3,0,0]=3 221 B7R1.1 O=Cc1cnsc1 Amb8010933 [0,0,0,0,0,0|3,0,0]=3 222 B7R1.1 O=Cc1cnsn1 Amb18641770 [0,0,0,0,0,0|3,0,0]=3 223 B7R1.1 O=Cc1cocn1 Amb8010935 [0,0,0,0,0,0|2,0,0]=2 224 B7R1.1 O=Cc1conn1 Amb8010942 [0,0,0,0,0,0|3,0,0]=3 225 B7R1.1 O=Cc1cscn1 Amb2455729 [0,0,0,0,0,0|2,0,0]=2 226 B7R1.1 O=Cc1csnn1 Amb2725899 [0,0,0,0,0,0|3,0,0]=3 227 B7R1.1 O=Cc1ncco1 Amb33544448 [0,0,0,0,0,0|1,0,0]=1 228 B7R1.1 O=Cc1nccs1 Amb2723140 [0,0,0,0,0,0|1,1,0]=2 229 B7R1.1 O=Cc1ncns1 Amb8010944 [0,0,0,0,0,0|2,1,0]=3 230 B7R1.1 O=Cc1ncon1 Amb8010947 [0,0,0,0,0,0|3,0,0]=3 231 B7R1.1 O=Cc1ncsn1 Amb8010945 [0,0,0,0,0,0|3,0,0]=3 232 B7R1.1 O=Cc1nnco1 Amb21856468 [0,0,0,0,0,0|2,0,0]=2 233 B7R1.1 O=Cc1nncs1 Amb8010937 [0,0,0,0,0,0|2,1,0]=3 234 B7R1.1 O=Cn1ccnn1 Amb27790038 [0,0,0,0,0,0|3,0,0]=3 235 B7R1.1 O=NN1C=CCC1 Amb27845186 [0,0,0,0,0,0|3,0,1]=4 236 B7R1.1 O=NN1CC=CC1 Amb28344030 [0,0,0,0,0,0|3,0,1]=4 237 B7R1.1 O=Nn1ccnc1 Amb28286811 [0,0,0,0,0,0|4,0,0]=4 238 B7R1.1 O=S=C1NCCO1 Amb28350550 [0,0,0,0,0,0|2,0,2]=4 239 B7R1.1 OCC1=CC=CC1 Amb27457780 [0,0,0,0,0,0|1,0,2]=3 240 B7R1.1 OCc1ccco1 Amb837335 [0,0,0,0,0,0|0,0,2]=2 241 B7R1.1 OCc1cccs1 Amb837506 [0,0,0,0,0,0|0,1,2]=3 242 B7R1.1 OCc1ccno1 Amb33531764 [0,0,0,0,0,0|1,0,2]=3 243 B7R1.1 OCc1ccns1 Amb16185717 [0,0,0,0,0,0|1,1,2]=4 244 B7R1.1 OCc1ccoc1 Amb837377 [0,0,0,0,0,0|2,0,2]=4 245 B7R1.1 OCc1ccon1 Amb19515377 [0,0,0,0,0,0|2,0,2]=4 246 B7R1.1 OCc1ccsc1 Amb837384 [0,0,0,0,0,0|2,0,2]=4 247 B7R1.1 OCc1ccsn1 Amb22896461 [0,0,0,0,0,0|2,0,2]=4 248 B7R1.1 OCc1cnco1 Amb10070754 [0,0,0,0,0,0|1,0,2]=3 249 B7R1.1 OCc1cncs1 Amb2455733 [0,0,0,0,0,0|1,1,2]=4 250 B7R1.1 OCc1cocn1 Amb10071193 [0,0,0,0,0,0|2,0,2]=4 251 B7R1.1 OCc1cscn1 Amb32652998 [0,0,0,0,0,0|2,0,2]=4 252 B7R1.1 OCc1cscn1 Amb33531860 [0,0,0,0,0,0|2,0,2]=4 253 B7R1.1 OCc1ncco1 Amb10071191 [0,0,0,0,0,0|1,0,2]=3 254 B7R1.1 OCc1nccs1 Amb2723142 [0,0,0,0,0,0|1,1,2]=4 255 B7R1.1 OCc1ncno1 Amb9421565 [0,0,0,0,0,0|2,0,2]=4 256 B7R1.1 OCc1nnco1 Amb26393346 [0,0,0,0,0,0|2,0,2]=4 257 B7R1.1 OCn1cccc1 Amb28400396 [0,0,0,0,0,0|2,0,2]=4 258 B7R1.1 OCn1cccn1 Amb10552412 [0,0,0,0,0,0|2,0,2]=4 259 B7R1.1 ONc1ccco1 Amb27209570 [0,0,0,0,0,0|1,0,1]=2 260 B7R1.1 O\N=C1/C=CCC1 Amb27838262 [0,0,0,0,0,0|2,0,2]=4 261 B7R1.1 S=Cc1ccco1 Amb28368735 [0,0,0,0,0,0|0,1,0]=1 262 B7R1.1 S=Nc1nccs1 Amb27438253 [0,0,0,0,0,0|2,2,0]=4 263 B7R1.1 SCc1ccco1 Amb2688612 [0,0,0,0,0,0|0,1,1]=2 264 B7R1.1 SCc1cccs1 Amb3428574 [0,0,0,0,0,0|0,2,1]=3 265 B7R1.1 SCc1ccns1 Amb32788854 [0,0,0,0,0,0|1,2,1]=4 266 B7R1.1 SCc1ccoc1 Amb26593625 [0,0,0,0,0,0|2,1,1]=4 267 B7R1.1 SCc1ccon1 Amb23440702 [0,0,0,0,0,0|2,1,1]=4 268 B7R1.1 SCc1ccsc1 Amb28246879 [0,0,0,0,0,0|2,1,1]=4 269 B7R1.1 SCc1cnco1 Amb32788503 [0,0,0,0,0,0|1,1,1]=3 270 B7R1.1 SCc1cncs1 Amb18255772 [0,0,0,0,0,0|1,2,1]=4 271 B7R1.1 SCc1cocn1 Amb25941081 [0,0,0,0,0,0|2,1,1]=4 272 B7R1.1 SCc1cscn1 Amb17108587 [0,0,0,0,0,0|2,1,1]=4 273 B7R1.1 SCc1nccs1 Amb25241320 [0,0,0,0,0,0|1,2,1]=4 274 B7R1.1 SCc1ncno1 Amb32650858 [0,0,0,0,0,0|2,1,1]=4 275 B7R1.1 [C-]#[N+]c1ccco1 Amb27962733 [0,0,0,0,0,0|2,0,0]=2 276 B7R1.1 [C-]#[N+]c1ccoc1 Amb33449618 [0,0,0,0,0,0|4,0,0]=4 277 B7R1.1 [C-]#[N+]c1ccon1 Amb33198343 [0,0,0,0,0,0|4,0,0]=4 278 B7R1.1 [C-]#[N+]c1ccsc1 Amb33380765 [0,0,0,0,0,0|4,0,0]=4 279 B7R1.1 [C-]#[N+]c1cncs1 Amb33269805 [0,0,0,0,0,0|3,1,0]=4 280 B7R1.1 [C-]#[N+]c1cscn1 Amb33418132 [0,0,0,0,0,0|4,0,0]=4 281 B7R1.1 [C-]#[N+]c1ncco1 Amb33735207 [0,0,0,0,0,0|3,0,0]=3 282 B7R1.1 [C-]#[N+]c1nccs1 Amb25352023 [0,0,0,0,0,0|3,1,0]=4 283 B7R1.1 [N-]=[N+]=C1C=CC=N1 Amb27613195 [0,0,0,0,0,0|3,0,0]=3 284 B7R1.1 [N-]=[N+]=C1NC=CS1 Amb27613199 [0,0,0,0,0,0|3,1,0]=4 285 B6R1.2 BC1NC=CO1 Amb27424859 [1,0,0,0,0,0|2,0,1]=4 286 B6R1.2 Bc1ccco1 Amb28286917 [1,0,0,0,0,0|1,0,0]=2 287 B6R1.2 Bn1cccc1 Amb27463207 [1,0,0,0,0,0|3,0,0]=4 288 B6R1.2 BrC1=CCCO1 Amb24322605 [1,0,0,0,0,0|1,0,2]=4 289 B6R1.2 Brc1ccc[se]1 Amb21964756 [1,0,0,0,0,0|1,1,0]=3 290 B6R1.2 Brc1ccco1 Amb2723041 [1,0,0,0,0,0|1,0,0]=2 291 B6R1.2 Brc1cccs1 Amb2685504 [1,0,0,0,0,0|1,1,0]=3 292 B6R1.2 Brc1ccno1 Amb20242149 [1,0,0,0,0,0|2,0,0]=3 293 B6R1.2 Brc1ccns1 Amb33544135 [1,0,0,0,0,0|2,1,0]=4 294 B6R1.2 Brc1ccoc1 Amb2720289 [1,0,0,0,0,0|3,0,0]=4 295 B6R1.2 Brc1ccon1 Amb13890359 [1,0,0,0,0,0|3,0,0]=4 296 B6R1.2 Brc1ccsc1 Amb2685505 [1,0,0,0,0,0|3,0,0]=4 297 B6R1.2 Brc1ccsn1 Amb18828880 [1,0,0,0,0,0|3,0,0]=4 298 B6R1.2 Brc1cnco1 Amb24058248 [1,0,0,0,0,0|2,0,0]=3 299 B6R1.2 Brc1cnco1 Amb32667046 [1,0,0,0,0,0|2,0,0]=3 300 B6R1.2 Brc1cncs1 Amb2455804 [1,0,0,0,0,0|2,1,0]=4 301 B6R1.2 Brc1cocn1 Amb26843131 [1,0,0,0,0,0|3,0,0]=4 302 B6R1.2 Brc1cocn1 Amb32667192 [1,0,0,0,0,0|3,0,0]=4 303 B6R1.2 Brc1cscn1 Amb2447456 [1,0,0,0,0,0|3,0,0]=4 304 B6R1.2 Brc1ncco1 Amb10071482 [1,0,0,0,0,0|2,0,0]=3 305 B6R1.2 Brc1ncco1 Amb19514894 [1,0,0,0,0,0|2,0,0]=3 306 B6R1.2 Brc1nccs1 Amb535721 [1,0,0,0,0,0|2,1,0]=4 307 B6R1.2 Brc1nnco1 Amb28322838 [1,0,0,0,0,0|3,0,0]=4 308 B6R1.2 C=C1N=CCS1 Amb27796505 [1,0,0,0,0,0|1,1,1]=4 309 B6R1.2 C=C1OCCO1 Amb24477046 [1,0,0,0,0,0|1,0,2]=4 310 B6R1.2 CC1=CC=CC1 Amb26338978 [1,0,0,0,0,0|1,0,1]=3 311 B6R1.2 CC1=CCCO1 Amb20621083 [1,0,0,0,0,0|0,0,3]=4 312 B6R1.2 Cc1ccco1 Amb2447070 [1,0,0,0,0,0|0,0,1]=2 313 B6R1.2 Cc1cccs1 Amb2447069 [1,0,0,0,0,0|0,1,1]=3 314 B6R1.2 Cc1ccno1 Amb33544333 [1,0,0,0,0,0|1,0,1]=3 315 B6R1.2 Cc1ccns1 Amb22734260 [1,0,0,0,0,0|1,1,1]=4 316 B6R1.2 Cc1ccoc1 Amb2447077 [1,0,0,0,0,0|2,0,1]=4 317 B6R1.2 Cc1ccon1 Amb4005631 [1,0,0,0,0,0|2,0,1]=4 318 B6R1.2 Cc1ccsc1 Amb2447071 [1,0,0,0,0,0|2,0,1]=4 319 B6R1.2 Cc1ccsn1 Amb20621563 [1,0,0,0,0,0|2,0,1]=4 320 B6R1.2 Cc1cnco1 Amb23403175 [1,0,0,0,0,0|1,0,1]=3 321 B6R1.2 Cc1cncs1 Amb8396856 [1,0,0,0,0,0|1,1,1]=4 322 B6R1.2 Cc1cocn1 Amb33544147 [1,0,0,0,0,0|2,0,1]=4 323 B6R1.2 Cc1cscn1 Amb1163532 [1,0,0,0,0,0|2,0,1]=4 324 B6R1.2 Cc1ncco1 Amb17399783 [1,0,0,0,0,0|1,0,1]=3 325 B6R1.2 Cc1ncco1 Amb22757206 [1,0,0,0,0,0|1,0,1]=3 326 B6R1.2 Cc1nccs1 Amb2455765 [1,0,0,0,0,0|1,1,1]=4 327 B6R1.2 Cc1nnco1 Amb20171395 [1,0,0,0,0,0|2,0,1]=4 328 B6R1.2 ClC1=CCC=C1 Amb22584067 [1,0,0,0,0,0|2,0,1]=4 329 B6R1.2 Clc1ccco1 Amb27805575 [1,0,0,0,0,0|1,0,0]=2 330 B6R1.2 Clc1cccs1 Amb2686481 [1,0,0,0,0,0|1,1,0]=3 331 B6R1.2 Clc1ccoc1 Amb24333769 [1,0,0,0,0,0|3,0,0]=4 332 B6R1.2 Clc1ccon1 Amb33543597 [1,0,0,0,0,0|3,0,0]=4 333 B6R1.2 Clc1ccsc1 Amb2686482 [1,0,0,0,0,0|3,0,0]=4 334 B6R1.2 Clc1ccsn1 Amb21927817 [1,0,0,0,0,0|3,0,0]=4 335 B6R1.2 Clc1cncs1 Amb21864727 [1,0,0,0,0,0|2,1,0]=4 336 B6R1.2 Clc1cncs1 Amb33549695 [1,0,0,0,0,0|2,1,0]=4 337 B6R1.2 Clc1cscn1 Amb10602719 [1,0,0,0,0,0|3,0,0]=4 338 B6R1.2 Clc1ncco1 Amb22054705 [1,0,0,0,0,0|2,0,0]=3 339 B6R1.2 Clc1ncco1 Amb32655821 [1,0,0,0,0,0|2,0,0]=3 340 B6R1.2 Clc1nccs1 Amb2455949 [1,0,0,0,0,0|2,1,0]=4 341 B6R1.2 Cn1cccc1 Amb6608780 [1,0,0,0,0,0|2,0,1]=4 342 B6R1.2 Cn1cccn1 Amb1088902 [1,0,0,0,0,0|2,0,1]=4 343 B6R1.2 Fc1ccco1 Amb27470402 [1,0,0,0,0,0|1,0,0]=2 344 B6R1.2 Fc1cccs1 Amb8388025 [1,0,0,0,0,0|1,1,0]=3 345 B6R1.2 Fc1ccoc1 Amb26369802 [1,0,0,0,0,0|3,0,0]=4 346 B6R1.2 Fc1ccsc1 Amb33543454 [1,0,0,0,0,0|3,0,0]=4 347 B6R1.2 Fc1cocn1 Amb27214748 [1,0,0,0,0,0|3,0,0]=4 348 B6R1.2 Fc1nccs1 Amb20621379 [1,0,0,0,0,0|2,1,0]=4 349 B6R1.2 IC1=CCCO1 Amb24322816 [1,0,0,0,0,0|1,0,2]=4 350 B6R1.2 IC1C=CC=C1 Amb25189843 [1,0,0,0,0,0|2,0,1]=4 351 B6R1.2 Ic1ccco1 Amb17672748 [1,0,0,0,0,0|1,0,0]=2 352 B6R1.2 Ic1cccs1 Amb2688889 [1,0,0,0,0,0|1,1,0]=3 353 B6R1.2 Ic1ccns1 Amb25136169 [1,0,0,0,0,0|2,1,0]=4 354 B6R1.2 Ic1ccoc1 Amb24686192 [1,0,0,0,0,0|3,0,0]=4 355 B6R1.2 Ic1ccsc1 Amb8393328 [1,0,0,0,0,0|3,0,0]=4 356 B6R1.2 Ic1ccsn1 Amb32685567 [1,0,0,0,0,0|3,0,0]=4 357 B6R1.2 Ic1cnco1 Amb33250373 [1,0,0,0,0,0|2,0,0]=3 358 B6R1.2 Ic1cncs1 Amb24087561 [1,0,0,0,0,0|2,1,0]=4 359 B6R1.2 Ic1cocn1 Amb24620615 [1,0,0,0,0,0|3,0,0]=4 360 B6R1.2 Ic1cocn1 Amb32684147 [1,0,0,0,0,0|3,0,0]=4 361 B6R1.2 Ic1cscn1 Amb22057367 [1,0,0,0,0,0|3,0,0]=4 362 B6R1.2 Ic1ncco1 Amb33547666 [1,0,0,0,0,0|2,0,0]=3 363 B6R1.2 Ic1nccs1 Amb6296420 [1,0,0,0,0,0|2,1,0]=4 364 B6R1.2 N=C1C=CNC1 Amb28135748 [1,0,0,0,0,0|3,0,0]=4 365 B6R1.2 N=C1NC=CS1 Amb22166858 [1,0,0,0,0,0|2,1,0]=4 366 B6R1.2 NC1=NCC=C1 Amb25208790 [1,0,0,0,0,0|2,0,1]=4 367 B6R1.2 N[c-]1cccc1 Amb34916047 [1,0,0,0,0,0|2,0,1]=4 368 B6R1.2 Nc1ccco1 Amb18203215 [1,0,0,0,0,0|1,0,0]=2 369 B6R1.2 Nc1ccno1 Amb33528297 [1,0,0,0,0,0|2,0,0]=3 370 B6R1.2 Nc1ccns1 Amb18203020 [1,0,0,0,0,0|2,1,0]=4 371 B6R1.2 Nc1ccns1 Amb28555333 [1,0,0,0,0,0|2,1,0]=4 372 B6R1.2 Nc1ccoc1 Amb22230735 [1,0,0,0,0,0|3,0,0]=4 373 B6R1.2 Nc1ccon1 Amb613464 [1,0,0,0,0,0|3,0,0]=4 374 B6R1.2 Nc1ccsc1 Amb13889594 [1,0,0,0,0,0|3,0,0]=4 375 B6R1.2 Nc1ccsc1 Amb17935671 [1,0,0,0,0,0|3,0,0]=4 376 B6R1.2 Nc1ccsc1 Amb19515444 [1,0,0,0,0,0|3,0,0]=4 377 B6R1.2 Nc1ccsc1 Amb22405919 [1,0,0,0,0,0|3,0,0]=4 378 B6R1.2 Nc1ccsn1 Amb22235783 [1,0,0,0,0,0|3,0,0]=4 379 B6R1.2 Nc1ccsn1 Amb33553648 [1,0,0,0,0,0|3,0,0]=4 380 B6R1.2 Nc1cnco1 Amb21962026 [1,0,0,0,0,0|2,0,0]=3 381 B6R1.2 Nc1cnco1 Amb21963496 [1,0,0,0,0,0|2,0,0]=3 382 B6R1.2 Nc1cncs1 Amb32664220 [1,0,0,0,0,0|2,1,0]=4 383 B6R1.2 Nc1cncs1 Amb8395996 [1,0,0,0,0,0|2,1,0]=4 384 B6R1.2 Nc1cncs1 Amb8631404 [1,0,0,0,0,0|2,1,0]=4 385 B6R1.2 Nc1cocn1 Amb22284836 [1,0,0,0,0,0|3,0,0]=4 386 B6R1.2 Nc1cscn1 Amb10600518 [1,0,0,0,0,0|3,0,0]=4 387 B6R1.2 Nc1cscn1 Amb22495658 [1,0,0,0,0,0|3,0,0]=4 388 B6R1.2 Nc1ncco1 Amb6751913 [1,0,0,0,0,0|2,0,0]=3 389 B6R1.2 Nc1nccs1 Amb2609403 [1,0,0,0,0,0|2,1,0]=4 390 B6R1.2 Nc1nccs1 Amb2707210 [1,0,0,0,0,0|2,1,0]=4 391 B6R1.2 Nc1ncno1 Amb18943952 [1,0,0,0,0,0|3,0,0]=4 392 B6R1.2 Nc1nnco1 Amb19516986 [1,0,0,0,0,0|3,0,0]=4 393 B6R1.2 Nn1cccc1 Amb2684521 [1,0,0,0,0,0|3,0,0]=4 394 B6R1.2 Nn1cccn1 Amb22233569 [1,0,0,0,0,0|3,0,0]=4 395 B6R1.2 O=C1C=CCC1 Amb4019519 [1,0,0,0,0,0|1,0,1]=3 396 B6R1.2 O=C1C=CCN1 Amb20241082 [1,0,0,0,0,0|1,0,1]=3 397 B6R1.2 O=C1C=CCO1 Amb2792769 [1,0,0,0,0,0|0,0,1]=2 398 B6R1.2 O=C1C=CCS1 Amb22336458 [1,0,0,0,0,0|0,1,1]=3 399 B6R1.2 O=C1C=CN=N1 Amb22230022 [1,0,0,0,0,0|2,0,0]=3 400 B6R1.2 O=C1C=CNN1 Amb19958916 [1,0,0,0,0,0|2,0,0]=3 401 B6R1.2 O=C1C=COC1 Amb24107591 [1,0,0,0,0,0|2,0,0]=3 402 B6R1.2 O=C1C=CSN1 Amb19895016 [1,0,0,0,0,0|2,0,0]=3 403 B6R1.2 O=C1C=CSS1 Amb27421370 [1,0,0,0,0,0|1,1,0]=3 404 B6R1.2 O=C1C=NCN1 Amb26572891 [1,0,0,0,0,0|2,0,1]=4 405 B6R1.2 O=C1C=NCO1 Amb25786221 [1,0,0,0,0,0|1,0,1]=3 406 B6R1.2 O=C1C=NN=C1 Amb28351406 [1,0,0,0,0,0|3,0,0]=4 407 B6R1.2 O=C1CC=CC1 Amb2686649 [1,0,0,0,0,0|1,0,1]=3 408 B6R1.2 O=C1CC=CN1 Amb22235167 [1,0,0,0,0,0|1,0,1]=3 409 B6R1.2 O=C1CC=NN1 Amb3428206 [1,0,0,0,0,0|2,0,1]=4 410 B6R1.2 O=C1CC=NO1 Amb27654112 [1,0,0,0,0,0|1,0,1]=3 411 B6R1.2 O=C1CCCO1 Amb3940401 [1,0,0,0,0,0|0,0,3]=4 412 B6R1.2 O=C1CN=CS1 Amb27963219 [1,0,0,0,0,0|1,1,1]=4 413 B6R1.2 O=C1N=CC=N1 Amb25138138 [1,0,0,0,0,0|2,0,0]=3 414 B6R1.2 O=C1N=CN=N1 Amb3614275 [1,0,0,0,0,0|3,0,0]=4 415 B6R1.2 O=C1NC=CN1 Amb19516737 [1,0,0,0,0,0|2,0,0]=3 416 B6R1.2 O=C1NC=CO1 Amb20671008 [1,0,0,0,0,0|1,0,0]=2 417 B6R1.2 O=C1NC=CS1 Amb19271596 [1,0,0,0,0,0|1,1,0]=3 418 B6R1.2 O=C1NC=NN1 Amb20243425 [1,0,0,0,0,0|3,0,0]=4 419 B6R1.2 O=C1NCCO1 Amb6608807 [1,0,0,0,0,0|1,0,2]=4 420 B6R1.2 O=C1NN=CO1 Amb20667671 [1,0,0,0,0,0|2,0,0]=3 421 B6R1.2 O=C1NN=CS1 Amb22491285 [1,0,0,0,0,0|2,1,0]=4 422 B6R1.2 O=C1OC=CO1 Amb20239430 [1,0,0,0,0,0|1,0,0]=2 423 B6R1.2 O=C1OCCO1 Amb4057710 [1,0,0,0,0,0|1,0,2]=4 424 B6R1.2 O=C1OCCS1 Amb27398683 [1,0,0,0,0,0|1,0,2]=4 425 B6R1.2 O=S1C=CC=C1 Amb27787698 [1,0,0,0,0,0|2,0,0]=3 426 B6R1.2 O=[PH]1CC=CC1 Amb35747085 [1,0,0,0,0,0|2,0,1]=4 427 B6R1.2 Oc1ccco1 Amb25991417 [1,0,0,0,0,0|0,0,1]=2 428 B6R1.2 Oc1cccs1 Amb17201836 [1,0,0,0,0,0|0,1,1]=3 429 B6R1.2 Oc1ccon1 Amb33547602 [1,0,0,0,0,0|2,0,1]=4 430 B6R1.2 Oc1ccsc1 Amb16231253 [1,0,0,0,0,0|2,0,1]=4 431 B6R1.2 Oc1ccsn1 Amb22371253 [1,0,0,0,0,0|2,0,1]=4 432 B6R1.2 Oc1cnco1 Amb25301524 [1,0,0,0,0,0|1,0,1]=3 433 B6R1.2 Oc1cncs1 Amb10599639 [1,0,0,0,0,0|1,1,1]=4 434 B6R1.2 Oc1cscn1 Amb10600519 [1,0,0,0,0,0|2,0,1]=4 435 B6R1.2 Oc1ncno1 Amb26965847 [1,0,0,0,0,0|2,0,1]=4 436 B6R1.2 Oc1nnco1 Amb22586631 [1,0,0,0,0,0|2,0,1]=4 437 B6R1.2 On1cccn1 Amb10067876 [1,0,0,0,0,0|2,0,1]=4 438 B6R1.2 S=C1C=CCO1 Amb27971151 [1,0,0,0,0,0|0,1,1]=3 439 B6R1.2 S=C1C=CSS1 Amb19132030 [1,0,0,0,0,0|1,2,0]=4 440 B6R1.2 S=C1CC=CN1 Amb27239207 [1,0,0,0,0,0|1,1,1]=4 441 B6R1.2 S=C1NC=CN1 Amb19148165 [1,0,0,0,0,0|2,1,0]=4 442 B6R1.2 S=C1NC=CO1 Amb21936248 [1,0,0,0,0,0|1,1,0]=3 443 B6R1.2 S=C1NC=CS1 Amb22492748 [1,0,0,0,0,0|1,2,0]=4 444 B6R1.2 S=C1SC=CS1 Amb20001458 [1,0,0,0,0,0|1,2,0]=4 445 B6R1.2 Sc1ccco1 Amb26641519 [1,0,0,0,0,0|0,1,0]=2 446 B6R1.2 Sc1cccs1 Amb2689075 [1,0,0,0,0,0|0,2,0]=3 447 B6R1.2 Sc1ccoc1 Amb25979686 [1,0,0,0,0,0|2,1,0]=4 448 B6R1.2 Sc1ccon1 Amb26338955 [1,0,0,0,0,0|2,1,0]=4 449 B6R1.2 Sc1ccsc1 Amb16232450 [1,0,0,0,0,0|2,1,0]=4 450 B6R1.2 Sc1cocn1 Amb27966248 [1,0,0,0,0,0|2,1,0]=4 451 B6R1.2 Sc1cscn1 Amb24099741 [1,0,0,0,0,0|2,1,0]=4 452 B6R1.2 Sc1nccs1 Amb1137208 [1,0,0,0,0,0|1,2,0]=4 453 B6R1.2 Sc1nnco1 Amb8471779 [1,0,0,0,0,0|2,1,0]=4 454 B6R1.2 [SiH2]=C1NC=CN1 Amb27225499 [1,0,0,0,0,0|2,1,0]=4 455 B8R1.1 BrCc1cc(Br)co1 Amb25113984 [0,1,0,0,0,0|1,0,1]=3 456 B8R1.1 BrCc1cc(Br)cs1 Amb8835373 [0,1,0,0,0,0|1,1,1]=4 457 B8R1.1 BrCc1cc(Br)no1 Amb22233936 [0,1,0,0,0,0|2,0,1]=4 458 B8R1.1 BrCc1ccc(Br)o1 Amb22498773 [0,1,0,0,0,0|1,0,1]=3 459 B8R1.1 BrCc1ccc(Br)s1 Amb22735998 [0,1,0,0,0,0|1,1,1]=4 460 B8R1.1 BrCc1ncc(Br)o1 Amb25132633 [0,1,0,0,0,0|2,0,1]=4 461 B8R1.1 C#Cc1cc(Br)co1 Amb24518887 [0,1,0,0,0,0|1,0,1]=3 462 B8R1.1 C#Cc1cc(Br)cs1 Amb25063735 [0,1,0,0,0,0|1,1,1]=4 463 B8R1.1 C#Cc1cc(C)cs1 Amb27958872 [0,1,0,0,0,0|1,1,1]=4 464 B8R1.1 C#Cc1cc(C)no1 Amb25772961 [0,1,0,0,0,0|2,0,1]=4 465 B8R1.1 C#Cc1cc(Cl)cs1 Amb28126067 [0,1,0,0,0,0|1,1,1]=4 466 B8R1.1 C#Cc1ccc(Br)o1 Amb25132971 [0,1,0,0,0,0|1,0,1]=3 467 B8R1.1 C#Cc1ccc(Br)s1 Amb27969154 [0,1,0,0,0,0|1,1,1]=4 468 B8R1.1 C#Cc1ccc(C)o1 Amb28048958 [0,1,0,0,0,0|1,0,1]=3 469 B8R1.1 C#Cc1ccc(C)s1 Amb26079182 [0,1,0,0,0,0|1,1,1]=4 470 B8R1.1 C#Cc1ccc(Cl)o1 Amb33258567 [0,1,0,0,0,0|1,0,1]=3 471 B8R1.1 C#Cc1ccc(Cl)s1 Amb21964540 [0,1,0,0,0,0|1,1,1]=4 472 B8R1.1 C#Cc1ccc(F)s1 Amb24269206 [0,1,0,0,0,0|1,1,1]=4 473 B8R1.1 C#Cc1ccc(F)s1 Amb26899798 [0,1,0,0,0,0|1,1,1]=4 474 B8R1.1 C#Cc1ccc(I)o1 Amb26627776 [0,1,0,0,0,0|1,0,1]=3 475 B8R1.1 C#Cc1ccc(I)s1 Amb27441968 [0,1,0,0,0,0|1,1,1]=4 476 B8R1.1 C=CC1=CC(=O)CC1 Amb28455401 [0,1,0,0,0,0|2,0,1]=4 477 B8R1.1 C=CC1=CCC(=O)N1 Amb27408608 [0,1,0,0,0,0|2,0,1]=4 478 B8R1.1 C=CC1=CNC(=S)O1 Amb27870307 [0,1,0,0,0,0|2,0,0]=3 479 B8R1.1 C=CC1C=NC(=S)O1 Amb27971166 [0,1,0,0,0,0|2,0,1]=4 480 B8R1.1 C=C[C@@H]1C=CC(=O)C1 Amb28202331 [0,1,0,0,0,0|2,0,1]=4 481 B8R1.1 C=Cc1cc(Br)co1 Amb33431861 [0,1,0,0,0,0|1,0,0]=2 482 B8R1.1 C=Cc1cc(Br)cs1 Amb25742529 [0,1,0,0,0,0|1,1,0]=3 483 B8R1.1 C=Cc1cc(C)cs1 Amb27390688 [0,1,0,0,0,0|1,1,0]=3 484 B8R1.1 C=Cc1cc(C)no1 Amb26019314 [0,1,0,0,0,0|2,0,0]=3 485 B8R1.1 C=Cc1cc(C)ns1 Amb29856253 [0,1,0,0,0,0|2,1,0]=4 486 B8R1.1 C=Cc1cc(C)on1 Amb27841464 [0,1,0,0,0,0|3,0,0]=4 487 B8R1.1 C=Cc1cc(Cl)cs1 Amb26887814 [0,1,0,0,0,0|1,1,0]=3 488 B8R1.1 C=Cc1ccc(Br)o1 Amb25264206 [0,1,0,0,0,0|1,0,0]=2 489 B8R1.1 C=Cc1ccc(Br)s1 Amb17594904 [0,1,0,0,0,0|1,1,0]=3 490 B8R1.1 C=Cc1ccc(C)o1 Amb22126655 [0,1,0,0,0,0|1,0,0]=2 491 B8R1.1 C=Cc1ccc(C)s1 Amb26496095 [0,1,0,0,0,0|1,1,0]=3 492 B8R1.1 C=Cc1ccc(Cl)o1 Amb25684642 [0,1,0,0,0,0|1,0,0]=2 493 B8R1.1 C=Cc1ccc(Cl)s1 Amb17672604 [0,1,0,0,0,0|1,1,0]=3 494 B8R1.1 C=Cc1ccc(N)o1 Amb27230225 [0,1,0,0,0,0|1,0,0]=2 495 B8R1.1 C=Cc1ccn(C)n1 Amb27483541 [0,1,0,0,0,0|3,0,0]=4 496 B8R1.1 C=Cc1cnc(C)s1 Amb25959623 [0,1,0,0,0,0|2,1,0]=4 497 B8R1.1 C=Cc1cnc(Cl)s1 Amb33221306 [0,1,0,0,0,0|2,1,0]=4 498 B8R1.1 C=Cc1cnc(N)o1 Amb27793418 [0,1,0,0,0,0|2,0,0]=3 499 B8R1.1 C=Cc1csc(Br)c1 Amb28368967 [0,1,0,0,0,0|3,0,0]=4 500 B8R1.1 C=Cc1csc(Br)n1 Amb26004316 [0,1,0,0,0,0|3,0,0]=4 501 B8R1.1 C=Cc1csc(C)n1 Amb24097145 [0,1,0,0,0,0|3,0,0]=4 502 B8R1.1 C=Cc1csc(C)n1 Amb32661731 [0,1,0,0,0,0|3,0,0]=4 503 B8R1.1 C=Cc1csc(Cl)c1 Amb27590691 [0,1,0,0,0,0|3,0,0]=4 504 B8R1.1 C=Cc1csc(N)n1 Amb27879470 [0,1,0,0,0,0|3,0,0]=4 505 B8R1.1 C=Cc1csc(N)n1 Amb32661082 [0,1,0,0,0,0|3,0,0]=4 506 B8R1.1 C=Cc1nc(Br)cs1 Amb22748648 [0,1,0,0,0,0|2,1,0]=4 507 B8R1.1 C=Cc1nc(C)cs1 Amb27974607 [0,1,0,0,0,0|2,1,0]=4 508 B8R1.1 C=Cc1ncc(Br)s1 Amb33435978 [0,1,0,0,0,0|2,1,0]=4 509 B8R1.1 C=Cc1ncc(C)s1 Amb27816672 [0,1,0,0,0,0|2,1,0]=4 510 B8R1.1 C=Cc1nnc(C)o1 Amb27972627 [0,1,0,0,0,0|3,0,0]=4 511 B8R1.1 C=Cn1cc(Br)cn1 Amb10608116 [0,1,0,0,0,0|3,0,0]=4 512 B8R1.1 C=Cn1cc(Cl)cn1 Amb13777413 [0,1,0,0,0,0|3,0,0]=4 513 B8R1.1 C=Cn1cc(I)cn1 Amb10608135 [0,1,0,0,0,0|3,0,0]=4 514 B8R1.1 C=Cn1cc(N)cn1 Amb25253102 [0,1,0,0,0,0|3,0,0]=4 515 B8R1.1 C=Cn1cc(O)cn1 Amb32727540 [0,1,0,0,0,0|3,0,0]=4 516 B8R1.1 C=Cn1cc(S)cn1 Amb33224531 [0,1,0,0,0,0|3,0,0]=4 517 B8R1.1 C=Cn1ccc(Br)n1 Amb27662935 [0,1,0,0,0,0|3,0,0]=4 518 B8R1.1 C=Cn1ccc(C)c1 Amb27797483 [0,1,0,0,0,0|3,0,0]=4 519 B8R1.1 C=Cn1ccc(C)n1 Amb27482751 [0,1,0,0,0,0|3,0,0]=4 520 B8R1.1 CC1=CCC(C=O)C1 Amb28186881 [0,1,0,0,0,0|1,0,2]=4 521 B8R1.1 CC1=NOC(C=O)C1 Amb8010570 [0,1,0,0,0,0|1,0,2]=4 522 B8R1.1 CCC1=CCC(=O)O1 Amb27974572 [0,1,0,0,0,0|1,0,2]=4 523 B8R1.1 CCC1C=CC(=O)O1 Amb23571855 [0,1,0,0,0,0|1,0,2]=4 524 B8R1.1 CC[C@@H]1C=CC(=O)O1 Amb27954643 [0,1,0,0,0,0|1,0,2]=4 525 B8R1.1 CC[C@H]1C=CC(=O)O1 Amb28195329 [0,1,0,0,0,0|1,0,2]=4 526 B8R1.1 CCc1cc(Br)cs1 Amb20619491 [0,1,0,0,0,0|1,1,1]=4 527 B8R1.1 CCc1cc(N)cs1 Amb18143965 [0,1,0,0,0,0|1,1,1]=4 528 B8R1.1 CCc1cc(N)no1 Amb10552510 [0,1,0,0,0,0|2,0,1]=4 529 B8R1.1 CCc1cc(O)no1 Amb22754624 [0,1,0,0,0,0|2,0,1]=4 530 B8R1.1 CCc1ccc(Br)o1 Amb10600653 [0,1,0,0,0,0|1,0,1]=3 531 B8R1.1 CCc1ccc(Br)s1 Amb10600651 [0,1,0,0,0,0|1,1,1]=4 532 B8R1.1 CCc1ccc(C)o1 Amb22235241 [0,1,0,0,0,0|1,0,1]=3 533 B8R1.1 CCc1ccc(C)s1 Amb15691670 [0,1,0,0,0,0|1,1,1]=4 534 B8R1.1 CCc1ccc(Cl)o1 Amb27162312 [0,1,0,0,0,0|1,0,1]=3 535 B8R1.1 CCc1ccc(Cl)s1 Amb25811685 [0,1,0,0,0,0|1,1,1]=4 536 B8R1.1 CCc1ccc(F)o1 Amb26028407 [0,1,0,0,0,0|1,0,1]=3 537 B8R1.1 CCc1ccc(F)s1 Amb27200756 [0,1,0,0,0,0|1,1,1]=4 538 B8R1.1 CCc1ccc(I)o1 Amb26597699 [0,1,0,0,0,0|1,0,1]=3 539 B8R1.1 CCc1ccc(I)s1 Amb24332471 [0,1,0,0,0,0|1,1,1]=4 540 B8R1.1 CCc1ccc(N)o1 Amb10600654 [0,1,0,0,0,0|1,0,1]=3 541 B8R1.1 CCc1ccc(N)s1 Amb10600652 [0,1,0,0,0,0|1,1,1]=4 542 B8R1.1 CCc1ccc(O)o1 Amb28370537 [0,1,0,0,0,0|1,0,1]=3 543 B8R1.1 CCc1ccc(O)s1 Amb20617898 [0,1,0,0,0,0|1,1,1]=4 544 B8R1.1 CCc1ccc(S)s1 Amb17939214 [0,1,0,0,0,0|1,1,1]=4 545 B8R1.1 CCc1cnc(Br)o1 Amb25830436 [0,1,0,0,0,0|2,0,1]=4 546 B8R1.1 CCc1cnc(C)o1 Amb27636741 [0,1,0,0,0,0|2,0,1]=4 547 B8R1.1 CCc1cnc(Cl)o1 Amb33039836 [0,1,0,0,0,0|2,0,1]=4 548 B8R1.1 CCc1cnc(N)o1 Amb18947812 [0,1,0,0,0,0|2,0,1]=4 549 B8R1.1 CCc1ncc(Br)o1 Amb25709768 [0,1,0,0,0,0|2,0,1]=4 550 B8R1.1 CCc1ncc(N)o1 Amb18559669 [0,1,0,0,0,0|2,0,1]=4 551 B8R1.1 CNc1cc(Br)cs1 Amb18565046 [0,1,0,0,0,0|2,1,0]=4 552 B8R1.1 CNc1cc(C)no1 Amb9782138 [0,1,0,0,0,0|3,0,0]=4 553 B8R1.1 CNc1ccc(Br)s1 Amb18055073 [0,1,0,0,0,0|2,1,0]=4 554 B8R1.1 CNc1ccc(C)o1 Amb26495449 [0,1,0,0,0,0|2,0,0]=3 555 B8R1.1 COC1C=CC(=O)O1 Amb22490509 [0,1,0,0,0,0|2,0,1]=4 556 B8R1.1 COc1cc(Br)cs1 Amb25827956 [0,1,0,0,0,0|2,1,0]=4 557 B8R1.1 COc1cc(C)cs1 Amb28291371 [0,1,0,0,0,0|2,1,0]=4 558 B8R1.1 COc1cc(C)no1 Amb27441515 [0,1,0,0,0,0|3,0,0]=4 559 B8R1.1 COc1cc(Cl)no1 Amb535037 [0,1,0,0,0,0|3,0,0]=4 560 B8R1.1 COc1cc(N)no1 Amb10602950 [0,1,0,0,0,0|3,0,0]=4 561 B8R1.1 COc1ccc(Br)o1 Amb26320164 [0,1,0,0,0,0|2,0,0]=3 562 B8R1.1 COc1ccc(Br)s1 Amb18190248 [0,1,0,0,0,0|2,1,0]=4 563 B8R1.1 COc1ccc(C)o1 Amb27453708 [0,1,0,0,0,0|2,0,0]=3 564 B8R1.1 COc1ccc(C)s1 Amb25108498 [0,1,0,0,0,0|2,1,0]=4 565 B8R1.1 COc1ccc(Cl)o1 Amb27590171 [0,1,0,0,0,0|2,0,0]=3 566 B8R1.1 COc1ccc(F)o1 Amb25783067 [0,1,0,0,0,0|2,0,0]=3 567 B8R1.1 COc1ccc(I)o1 Amb25304106 [0,1,0,0,0,0|2,0,0]=3 568 B8R1.1 COc1ccc(I)s1 Amb25929678 [0,1,0,0,0,0|2,1,0]=4 569 B8R1.1 COc1ccc(N)o1 Amb18203371 [0,1,0,0,0,0|2,0,0]=3 570 B8R1.1 COc1ccc(O)o1 Amb27193653 [0,1,0,0,0,0|2,0,0]=3 571 B8R1.1 COc1ccc(S)o1 Amb28129937 [0,1,0,0,0,0|2,0,0]=3 572 B8R1.1 COc1cnc(C)o1 Amb27841869 [0,1,0,0,0,0|3,0,0]=4 573 B8R1.1 COc1cnc(N)o1 Amb27631701 [0,1,0,0,0,0|3,0,0]=4 574 B8R1.1 CSc1cc(Br)cs1 Amb25844408 [0,1,0,0,0,0|2,1,0]=4 575 B8R1.1 CSc1cc(C)co1 Amb27201776 [0,1,0,0,0,0|2,0,0]=3 576 B8R1.1 CSc1cc(C)cs1 Amb26016095 [0,1,0,0,0,0|2,1,0]=4 577 B8R1.1 CSc1cc(F)cs1 Amb27851629 [0,1,0,0,0,0|2,1,0]=4 578 B8R1.1 CSc1cc(N)no1 Amb27215449 [0,1,0,0,0,0|3,0,0]=4 579 B8R1.1 CSc1ccc(Br)s1 Amb26013080 [0,1,0,0,0,0|2,1,0]=4 580 B8R1.1 CSc1ccc(C)s1 Amb17672797 [0,1,0,0,0,0|2,1,0]=4 581 B8R1.1 CSc1ccc(Cl)s1 Amb25980290 [0,1,0,0,0,0|2,1,0]=4 582 B8R1.1 CSc1ncc(C)o1 Amb27963268 [0,1,0,0,0,0|3,0,0]=4 583 B8R1.1 C[C@@H]1C=C(C=O)CC1 Amb25760068 [0,1,0,0,0,0|1,0,2]=4 584 B8R1.1 C[C@H]1C=C(C=O)CC1 Amb25839230 [0,1,0,0,0,0|1,0,2]=4 585 B8R1.1 C[C@H]1C=C[C@H](C=O)O1 Amb27643484 [0,1,0,0,0,0|0,0,2]=3 586 B8R1.1 C\C=C1/C=CC(=O)S1 Amb27638992 [0,1,0,0,0,0|1,1,0]=3 587 B8R1.1 C\C=C1\CCC(=O)O1 Amb27421031 [0,1,0,0,0,0|1,0,2]=4 588 B8R1.1 Cc1cc(C#N)on1 Amb15701525 [0,1,0,0,0,0|2,0,1]=4 589 B8R1.1 Cc1cc(C=O)cs1 Amb5492334 [0,1,0,0,0,0|2,0,0]=3 590 B8R1.1 Cc1cc(C=O)no1 Amb33546829 [0,1,0,0,0,0|2,0,0]=3 591 B8R1.1 Cc1cc(C=O)ns1 Amb8010955 [0,1,0,0,0,0|2,0,0]=3 592 B8R1.1 Cc1cc(C=O)on1 Amb6572035 [0,1,0,0,0,0|1,0,0]=2 593 B8R1.1 Cc1cc(C=O)sn1 Amb8010957 [0,1,0,0,0,0|1,1,0]=3 594 B8R1.1 Cc1cc(CBr)on1 Amb6572036 [0,1,0,0,0,0|2,0,1]=4 595 B8R1.1 Cc1cc(CCl)on1 Amb449002 [0,1,0,0,0,0|2,0,1]=4 596 B8R1.1 Cc1cc(CN)on1 Amb10610510 [0,1,0,0,0,0|2,0,1]=4 597 B8R1.1 Cc1cc(CN)on1 Amb1911547 [0,1,0,0,0,0|2,0,1]=4 598 B8R1.1 Cc1cc(CN)on1 Amb22284238 [0,1,0,0,0,0|2,0,1]=4 599 B8R1.1 Cc1cc(CO)on1 Amb24094149 [0,1,0,0,0,0|1,0,2]=4 600 B8R1.1 Cc1cc(CO)on1 Amb33531749 [0,1,0,0,0,0|1,0,2]=4 601 B8R1.1 Cc1cc(CS)on1 Amb32650845 [0,1,0,0,0,0|1,1,1]=4 602 B8R1.1 Cc1ccc(C#N)o1 Amb1152445 [0,1,0,0,0,0|1,0,1]=3 603 B8R1.1 Cc1ccc(C#N)s1 Amb33527295 [0,1,0,0,0,0|1,1,1]=4 604 B8R1.1 Cc1ccc(C=O)o1 Amb1151338 [0,1,0,0,0,0|0,0,0]=1 605 B8R1.1 Cc1ccc(C=O)s1 Amb2447398 [0,1,0,0,0,0|0,1,0]=2 606 B8R1.1 Cc1ccc(CBr)o1 Amb16234119 [0,1,0,0,0,0|1,0,1]=3 607 B8R1.1 Cc1ccc(CBr)s1 Amb18325317 [0,1,0,0,0,0|1,1,1]=4 608 B8R1.1 Cc1ccc(CCl)o1 Amb6717232 [0,1,0,0,0,0|1,0,1]=3 609 B8R1.1 Cc1ccc(CCl)s1 Amb2592456 [0,1,0,0,0,0|1,1,1]=4 610 B8R1.1 Cc1ccc(CN)o1 Amb1124819 [0,1,0,0,0,0|1,0,1]=3 611 B8R1.1 Cc1ccc(CN)s1 Amb6255828 [0,1,0,0,0,0|1,1,1]=4 612 B8R1.1 Cc1ccc(CN)s1 Amb6572351 [0,1,0,0,0,0|1,1,1]=4 613 B8R1.1 Cc1ccc(CO)o1 Amb1856157 [0,1,0,0,0,0|0,0,2]=3 614 B8R1.1 Cc1ccc(CO)s1 Amb33528967 [0,1,0,0,0,0|0,1,2]=4 615 B8R1.1 Cc1ccc(CS)o1 Amb28128378 [0,1,0,0,0,0|0,1,1]=3 616 B8R1.1 Cc1ccc(CS)s1 Amb26023233 [0,1,0,0,0,0|0,2,1]=4 617 B8R1.1 Cc1ccc([SiH2]Cl)s1 Amb27488039 [0,1,0,0,0,0|1,2,0]=4 618 B8R1.1 Cc1cnc(C#N)o1 Amb25080137 [0,1,0,0,0,0|2,0,1]=4 619 B8R1.1 Cc1cnc(C=O)o1 Amb8010965 [0,1,0,0,0,0|1,0,0]=2 620 B8R1.1 Cc1cnc(C=O)s1 Amb8010590 [0,1,0,0,0,0|1,1,0]=3 621 B8R1.1 Cc1cnc(CBr)o1 Amb26069583 [0,1,0,0,0,0|2,0,1]=4 622 B8R1.1 Cc1cnc(CCl)o1 Amb19375353 [0,1,0,0,0,0|2,0,1]=4 623 B8R1.1 Cc1cnc(CN)o1 Amb31308542 [0,1,0,0,0,0|2,0,1]=4 624 B8R1.1 Cc1cnc(CN)o1 Amb5733009 [0,1,0,0,0,0|2,0,1]=4 625 B8R1.1 Cc1cnc(CO)o1 Amb22039458 [0,1,0,0,0,0|1,0,2]=4 626 B8R1.1 Cc1cnc(CS)o1 Amb32650878 [0,1,0,0,0,0|1,1,1]=4 627 B8R1.1 Cc1coc(C#N)c1 Amb32679236 [0,1,0,0,0,0|1,0,1]=3 628 B8R1.1 Cc1coc(C=O)c1 Amb18124164 [0,1,0,0,0,0|0,0,0]=1 629 B8R1.1 Cc1coc(C=O)n1 Amb8010964 [0,1,0,0,0,0|1,0,0]=2 630 B8R1.1 Cc1coc(CBr)c1 Amb32685430 [0,1,0,0,0,0|1,0,1]=3 631 B8R1.1 Cc1coc(CCl)c1 Amb32685431 [0,1,0,0,0,0|1,0,1]=3 632 B8R1.1 Cc1coc(CCl)n1 Amb25984840 [0,1,0,0,0,0|2,0,1]=4 633 B8R1.1 Cc1coc(CI)c1 Amb32685432 [0,1,0,0,0,0|1,0,1]=3 634 B8R1.1 Cc1coc(CN)c1 Amb27838295 [0,1,0,0,0,0|1,0,1]=3 635 B8R1.1 Cc1coc(CN)n1 Amb18221697 [0,1,0,0,0,0|2,0,1]=4 636 B8R1.1 Cc1coc(CN)n1 Amb22886200 [0,1,0,0,0,0|2,0,1]=4 637 B8R1.1 Cc1coc(CO)c1 Amb24066149 [0,1,0,0,0,0|0,0,2]=3 638 B8R1.1 Cc1coc(CS)c1 Amb26553022 [0,1,0,0,0,0|0,1,1]=3 639 B8R1.1 Cc1coc(NN)n1 Amb18641723 [0,1,0,0,0,0|3,0,0]=4 640 B8R1.1 Cc1csc(C#N)c1 Amb2691603 [0,1,0,0,0,0|1,1,1]=4 641 B8R1.1 Cc1csc(C=O)c1 Amb2447336 [0,1,0,0,0,0|0,1,0]=2 642 B8R1.1 Cc1csc(C=O)n1 Amb5494084 [0,1,0,0,0,0|1,1,0]=3 643 B8R1.1 Cc1csc(CBr)c1 Amb25363165 [0,1,0,0,0,0|1,1,1]=4 644 B8R1.1 Cc1csc(CN)c1 Amb22496138 [0,1,0,0,0,0|1,1,1]=4 645 B8R1.1 Cc1csc(CN)c1 Amb2691604 [0,1,0,0,0,0|1,1,1]=4 646 B8R1.1 Cc1csc(CO)c1 Amb2723480 [0,1,0,0,0,0|0,1,2]=4 647 B8R1.1 Cc1csc(CS)c1 Amb33373436 [0,1,0,0,0,0|0,2,1]=4 648 B8R1.1 Cc1nc(C=O)co1 Amb8010966 [0,1,0,0,0,0|2,0,0]=3 649 B8R1.1 Cc1nc(C=O)cs1 Amb444935 [0,1,0,0,0,0|2,0,0]=3 650 B8R1.1 Cc1nc(C=O)no1 Amb8010176 [0,1,0,0,0,0|3,0,0]=4 651 B8R1.1 Cc1nc(C=O)ns1 Amb8010993 [0,1,0,0,0,0|3,0,0]=4 652 B8R1.1 Cc1ncc(C#N)o1 Amb23437345 [0,1,0,0,0,0|2,0,1]=4 653 B8R1.1 Cc1ncc(C=O)o1 Amb8010968 [0,1,0,0,0,0|1,0,0]=2 654 B8R1.1 Cc1ncc(C=O)s1 Amb6316125 [0,1,0,0,0,0|1,1,0]=3 655 B8R1.1 Cc1ncc(CBr)o1 Amb10071205 [0,1,0,0,0,0|2,0,1]=4 656 B8R1.1 Cc1ncc(CCl)o1 Amb23437341 [0,1,0,0,0,0|2,0,1]=4 657 B8R1.1 Cc1ncc(CN)o1 Amb10071207 [0,1,0,0,0,0|2,0,1]=4 658 B8R1.1 Cc1ncc(CO)o1 Amb10071203 [0,1,0,0,0,0|1,0,2]=4 659 B8R1.1 Cc1ncc(CS)o1 Amb32721549 [0,1,0,0,0,0|1,1,1]=4 660 B8R1.1 Cc1nnc(C=O)o1 Amb22011678 [0,1,0,0,0,0|2,0,0]=3 661 B8R1.1 Cc1nnc(C=O)s1 Amb8010984 [0,1,0,0,0,0|2,1,0]=4 662 B8R1.1 Cc1noc(C=O)n1 Amb8010177 [0,1,0,0,0,0|2,0,0]=3 663 B8R1.1 Cc1nsc(C=O)n1 Amb8010992 [0,1,0,0,0,0|2,1,0]=4 664 B8R1.1 ClCc1cc(Br)co1 Amb25889289 [0,1,0,0,0,0|1,0,1]=3 665 B8R1.1 ClCc1cc(Br)cs1 Amb33529368 [0,1,0,0,0,0|1,1,1]=4 666 B8R1.1 ClCc1cc(Br)no1 Amb2455697 [0,1,0,0,0,0|2,0,1]=4 667 B8R1.1 ClCc1cc(Cl)cs1 Amb27409802 [0,1,0,0,0,0|1,1,1]=4 668 B8R1.1 ClCc1ccc(Br)o1 Amb6717236 [0,1,0,0,0,0|1,0,1]=3 669 B8R1.1 ClCc1ccc(Br)s1 Amb6717239 [0,1,0,0,0,0|1,1,1]=4 670 B8R1.1 ClCc1ccc(Cl)o1 Amb24433248 [0,1,0,0,0,0|1,0,1]=3 671 B8R1.1 ClCc1ccc(Cl)s1 Amb1105441 [0,1,0,0,0,0|1,1,1]=4 672 B8R1.1 Clc1ccc(CBr)o1 Amb24452907 [0,1,0,0,0,0|1,0,1]=3 673 B8R1.1 Clc1ccc(CBr)s1 Amb19375092 [0,1,0,0,0,0|1,1,1]=4 674 B8R1.1 Clc1ccc([Zn]Br)s1 Amb22000383 [0,1,0,0,0,0|2,1,0]=4 675 B8R1.1 Clc1csc(CBr)c1 Amb26645297 [0,1,0,0,0,0|1,1,1]=4 676 B8R1.1 Cn1cc(C=O)cn1 Amb1062067 [0,1,0,0,0,0|3,0,0]=4 677 B8R1.1 Cn1cc(C=O)nn1 Amb8010938 [0,1,0,0,0,0|3,0,0]=4 678 B8R1.1 Cn1ccc(C=O)c1 Amb2413661 [0,1,0,0,0,0|2,0,0]=3 679 B8R1.1 Cn1ccc(C=O)n1 Amb1945611 [0,1,0,0,0,0|2,0,0]=3 680 B8R1.1 Cn1cnc(C=O)c1 Amb2723067 [0,1,0,0,0,0|2,0,0]=3 681 B8R1.1 Cn1cnc(C=O)n1 Amb8010943 [0,1,0,0,0,0|3,0,0]=4 682 B8R1.1 Cn1ncc(C=O)n1 Amb27752909 [0,1,0,0,0,0|3,0,0]=4 683 B8R1.1 FCc1nc(Br)co1 Amb27229437 [0,1,0,0,0,0|2,0,1]=4 684 B8R1.1 Fc1ccc(CBr)s1 Amb24270964 [0,1,0,0,0,0|1,1,1]=4 685 B8R1.1 Fc1ccc(CCl)s1 Amb24054148 [0,1,0,0,0,0|1,1,1]=4 686 B8R1.1 Fc1ccc(CS)o1 Amb26504113 [0,1,0,0,0,0|0,1,1]=3 687 B8R1.1 Fc1coc(CS)c1 Amb26547253 [0,1,0,0,0,0|0,1,1]=3 688 B8R1.1 N#Cc1cc(Br)co1 Amb24446618 [0,1,0,0,0,0|1,0,1]=3 689 B8R1.1 N#Cc1cc(Br)cs1 Amb6316165 [0,1,0,0,0,0|1,1,1]=4 690 B8R1.1 N#Cc1cc(Br)no1 Amb26503863 [0,1,0,0,0,0|2,0,1]=4 691 B8R1.1 N#Cc1cc(Cl)cs1 Amb33547479 [0,1,0,0,0,0|1,1,1]=4 692 B8R1.1 N#Cc1cc(F)cs1 Amb22490413 [0,1,0,0,0,0|1,1,1]=4 693 B8R1.1 N#Cc1cc(I)cs1 Amb24679382 [0,1,0,0,0,0|1,1,1]=4 694 B8R1.1 N#Cc1cc(N)cs1 Amb18642138 [0,1,0,0,0,0|1,1,1]=4 695 B8R1.1 N#Cc1cc(N)no1 Amb18833128 [0,1,0,0,0,0|2,0,1]=4 696 B8R1.1 N#Cc1cc(O)cs1 Amb25851080 [0,1,0,0,0,0|1,1,1]=4 697 B8R1.1 N#Cc1ccc(Br)o1 Amb33528581 [0,1,0,0,0,0|1,0,1]=3 698 B8R1.1 N#Cc1ccc(Br)s1 Amb8968475 [0,1,0,0,0,0|1,1,1]=4 699 B8R1.1 N#Cc1ccc(Cl)o1 Amb18642557 [0,1,0,0,0,0|1,0,1]=3 700 B8R1.1 N#Cc1ccc(Cl)s1 Amb33528649 [0,1,0,0,0,0|1,1,1]=4 701 B8R1.1 N#Cc1ccc(F)o1 Amb24623154 [0,1,0,0,0,0|1,0,1]=3 702 B8R1.1 N#Cc1ccc(F)s1 Amb18642494 [0,1,0,0,0,0|1,1,1]=4 703 B8R1.1 N#Cc1ccc(I)o1 Amb22052210 [0,1,0,0,0,0|1,0,1]=3 704 B8R1.1 N#Cc1ccc(I)s1 Amb21964152 [0,1,0,0,0,0|1,1,1]=4 705 B8R1.1 N#Cc1ccc(N)o1 Amb18203412 [0,1,0,0,0,0|1,0,1]=3 706 B8R1.1 N#Cc1ccc(N)s1 Amb17477844 [0,1,0,0,0,0|1,1,1]=4 707 B8R1.1 N#Cc1ccc(O)o1 Amb27666420 [0,1,0,0,0,0|1,0,1]=3 708 B8R1.1 N#Cc1ccc(O)s1 Amb5719987 [0,1,0,0,0,0|1,1,1]=4 709 B8R1.1 N#Cc1ccc(S)s1 Amb26571680 [0,1,0,0,0,0|1,1,1]=4 710 B8R1.1 N#Cc1cnc(N)o1 Amb27215654 [0,1,0,0,0,0|2,0,1]=4 711 B8R1.1 N#Cc1nc(Br)co1 Amb27234835 [0,1,0,0,0,0|2,0,1]=4 712 B8R1.1 NCC1=CNC(=O)O1 Amb27790043 [0,1,0,0,0,0|2,0,1]=4 713 B8R1.1 NCC1C=CC(=O)O1 Amb27842373 [0,1,0,0,0,0|1,0,2]=4 714 B8R1.1 NCc1cc(Br)co1 Amb28410450 [0,1,0,0,0,0|1,0,1]=3 715 B8R1.1 NCc1cc(Br)cs1 Amb10067673 [0,1,0,0,0,0|1,1,1]=4 716 B8R1.1 NCc1cc(Br)cs1 Amb22388572 [0,1,0,0,0,0|1,1,1]=4 717 B8R1.1 NCc1cc(Br)cs1 Amb7173583 [0,1,0,0,0,0|1,1,1]=4 718 B8R1.1 NCc1cc(Br)no1 Amb10067252 [0,1,0,0,0,0|2,0,1]=4 719 B8R1.1 NCc1cc(Br)no1 Amb19957482 [0,1,0,0,0,0|2,0,1]=4 720 B8R1.1 NCc1cc(Cl)co1 Amb23537475 [0,1,0,0,0,0|1,0,1]=3 721 B8R1.1 NCc1cc(Cl)cs1 Amb18251310 [0,1,0,0,0,0|1,1,1]=4 722 B8R1.1 NCc1cc(Cl)cs1 Amb28984122 [0,1,0,0,0,0|1,1,1]=4 723 B8R1.1 NCc1cc(I)cs1 Amb26470783 [0,1,0,0,0,0|1,1,1]=4 724 B8R1.1 NCc1cc(O)no1 Amb8514569 [0,1,0,0,0,0|2,0,1]=4 725 B8R1.1 NCc1ccc(Br)o1 Amb1099320 [0,1,0,0,0,0|1,0,1]=3 726 B8R1.1 NCc1ccc(Br)o1 Amb22500479 [0,1,0,0,0,0|1,0,1]=3 727 B8R1.1 NCc1ccc(Br)s1 Amb6252389 [0,1,0,0,0,0|1,1,1]=4 728 B8R1.1 NCc1ccc(Br)s1 Amb6892666 [0,1,0,0,0,0|1,1,1]=4 729 B8R1.1 NCc1ccc(Cl)o1 Amb2606114 [0,1,0,0,0,0|1,0,1]=3 730 B8R1.1 NCc1ccc(Cl)s1 Amb6280155 [0,1,0,0,0,0|1,1,1]=4 731 B8R1.1 NCc1ccc(Cl)s1 Amb6892668 [0,1,0,0,0,0|1,1,1]=4 732 B8R1.1 NCc1ccc(F)s1 Amb23440031 [0,1,0,0,0,0|1,1,1]=4 733 B8R1.1 NCc1ccc(F)s1 Amb24054066 [0,1,0,0,0,0|1,1,1]=4 734 B8R1.1 NCc1ccc(I)o1 Amb9620839 [0,1,0,0,0,0|1,0,1]=3 735 B8R1.1 NCc1ccc(I)s1 Amb25763380 [0,1,0,0,0,0|1,1,1]=4 736 B8R1.1 NCc1ccc(N)s1 Amb17477843 [0,1,0,0,0,0|1,1,1]=4 737 B8R1.1 NNc1ccc(Br)s1 Amb18190243 [0,1,0,0,0,0|2,1,0]=4 738 B8R1.1 NNc1ccc(Cl)s1 Amb27434897 [0,1,0,0,0,0|2,1,0]=4 739 B8R1.1 Nc1cc(C=O)co1 Amb18681236 [0,1,0,0,0,0|2,0,0]=3 740 B8R1.1 Nc1cc(C=O)cs1 Amb18145783 [0,1,0,0,0,0|2,0,0]=3 741 B8R1.1 Nc1cc(CF)on1 Amb33378688 [0,1,0,0,0,0|2,0,1]=4 742 B8R1.1 Nc1cc(CO)on1 Amb18124249 [0,1,0,0,0,0|1,0,2]=4 743 B8R1.1 Nc1ccc(C=O)o1 Amb18833112 [0,1,0,0,0,0|0,0,0]=1 744 B8R1.1 Nc1ccc(C=O)s1 Amb18202442 [0,1,0,0,0,0|0,1,0]=2 745 B8R1.1 Nc1ccc(CS)o1 Amb24365127 [0,1,0,0,0,0|0,1,1]=3 746 B8R1.1 Nc1cnc(CF)o1 Amb27872616 [0,1,0,0,0,0|2,0,1]=4 747 B8R1.1 Nc1coc(C=O)c1 Amb18833113 [0,1,0,0,0,0|0,0,0]=1 748 B8R1.1 Nc1coc(CF)n1 Amb27421824 [0,1,0,0,0,0|2,0,1]=4 749 B8R1.1 Nc1coc(CS)c1 Amb27450448 [0,1,0,0,0,0|0,1,1]=3 750 B8R1.1 Nc1csc(C=O)c1 Amb18679453 [0,1,0,0,0,0|0,1,0]=2 751 B8R1.1 Nc1nc(C=O)co1 Amb27482554 [0,1,0,0,0,0|2,0,0]=3 752 B8R1.1 Nc1nc(C=O)cs1 Amb21964509 [0,1,0,0,0,0|2,0,0]=3 753 B8R1.1 Nc1ncc(C=O)o1 Amb23400983 [0,1,0,0,0,0|1,0,0]=2 754 B8R1.1 Nc1ncc(C=O)s1 Amb535864 [0,1,0,0,0,0|1,1,0]=3 755 B8R1.1 Nc1ncc(C=O)s1 Amb8631369 [0,1,0,0,0,0|1,1,0]=3 756 B8R1.1 Nc1ncc(CF)o1 Amb28208737 [0,1,0,0,0,0|2,0,1]=4 757 B8R1.1 Nc1ncc(CO)o1 Amb25104500 [0,1,0,0,0,0|1,0,2]=4 758 B8R1.1 Nc1ncc(CO)o1 Amb33465517 [0,1,0,0,0,0|1,0,2]=4 759 B8R1.1 Nc1nnc(C=O)o1 Amb18833085 [0,1,0,0,0,0|2,0,0]=3 760 B8R1.1 Nc1nnc(C=O)s1 Amb19515511 [0,1,0,0,0,0|2,1,0]=4 761 B8R1.1 O=C1C=C(CBr)ON1 Amb33714899 [0,1,0,0,0,0|2,0,1]=4 762 B8R1.1 O=C1C=C(CO)OC1 Amb26899531 [0,1,0,0,0,0|0,0,3]=4 763 B8R1.1 O=C1C=CC(CBr)O1 Amb24423424 [0,1,0,0,0,0|1,0,2]=4 764 B8R1.1 O=C1C=C[C@@H](CBr)O1 Amb28128549 [0,1,0,0,0,0|1,0,2]=4 765 B8R1.1 O=C1C=C[C@@H](CO)O1 Amb3939187 [0,1,0,0,0,0|0,0,3]=4 766 B8R1.1 O=C1C=C[C@H](CO)O1 Amb2699833 [0,1,0,0,0,0|0,0,3]=4 767 B8R1.1 O=C1C=C\C(=C/Br)O1 Amb26420865 [0,1,0,0,0,0|1,0,0]=2 768 B8R1.1 O=C1C=P\C(=C/P)O1 Amb28247307 [0,1,0,0,0,0|2,0,0]=3 769 B8R1.1 O=C1CC=C(CO)O1 Amb26977633 [0,1,0,0,0,0|0,0,3]=4 770 B8R1.1 O=C1OC=C(CBr)O1 Amb22491256 [0,1,0,0,0,0|2,0,1]=4 771 B8R1.1 O=CC1=CC(=O)NC1 Amb27962554 [0,1,0,0,0,0|2,0,0]=3 772 B8R1.1 O=CC1=CC(=O)NN1 Amb28436451 [0,1,0,0,0,0|2,0,0]=3 773 B8R1.1 O=CC1=CC(=O)NO1 Amb22498283 [0,1,0,0,0,0|1,0,0]=2 774 B8R1.1 O=CC1=CSC(=O)S1 Amb25984894 [0,1,0,0,0,0|1,1,0]=3 775 B8R1.1 O=CC1=CSC(=S)N1 Amb25263915 [0,1,0,0,0,0|2,0,0]=3 776 B8R1.1 O=CC1=CSC(=S)S1 Amb27464107 [0,1,0,0,0,0|1,1,0]=3 777 B8R1.1 O=CC1=NC(=O)CS1 Amb35679379 [0,1,0,0,0,0|1,1,1]=4 778 B8R1.1 O=CC1=NNC(=O)C1 Amb18203380 [0,1,0,0,0,0|2,0,1]=4 779 B8R1.1 O=CC1=NOC(=O)C1 Amb27209562 [0,1,0,0,0,0|2,0,1]=4 780 B8R1.1 O=CC1COC(=O)O1 Amb27446683 [0,1,0,0,0,0|1,0,2]=4 781 B8R1.1 O=C[C@H]1CCC(=O)O1 Amb27964499 [0,1,0,0,0,0|0,0,3]=4 782 B8R1.1 O=Cc1cc(Br)co1 Amb2685260 [0,1,0,0,0,0|0,0,0]=1 783 B8R1.1 O=Cc1cc(Br)cs1 Amb1806177 [0,1,0,0,0,0|0,1,0]=2 784 B8R1.1 O=Cc1cc(Br)no1 Amb10602266 [0,1,0,0,0,0|1,0,0]=2 785 B8R1.1 O=Cc1cc(Cl)co1 Amb18642825 [0,1,0,0,0,0|0,0,0]=1 786 B8R1.1 O=Cc1cc(Cl)cs1 Amb33544156 [0,1,0,0,0,0|0,1,0]=2 787 B8R1.1 O=Cc1cc(F)co1 Amb18833044 [0,1,0,0,0,0|0,0,0]=1 788 B8R1.1 O=Cc1cc(F)cs1 Amb18832536 [0,1,0,0,0,0|0,1,0]=2 789 B8R1.1 O=Cc1cc(I)cs1 Amb21962048 [0,1,0,0,0,0|0,1,0]=2 790 B8R1.1 O=Cc1cc(O)co1 Amb28049029 [0,1,0,0,0,0|0,0,0]=1 791 B8R1.1 O=Cc1cc(O)cs1 Amb28138899 [0,1,0,0,0,0|0,1,0]=2 792 B8R1.1 O=Cc1ccc(Br)o1 Amb1153092 [0,1,0,0,0,0|0,0,0]=1 793 B8R1.1 O=Cc1ccc(Br)s1 Amb1161542 [0,1,0,0,0,0|0,1,0]=2 794 B8R1.1 O=Cc1ccc(Cl)o1 Amb1157854 [0,1,0,0,0,0|0,0,0]=1 795 B8R1.1 O=Cc1ccc(Cl)s1 Amb1159320 [0,1,0,0,0,0|0,1,0]=2 796 B8R1.1 O=Cc1ccc(F)o1 Amb18203364 [0,1,0,0,0,0|0,0,0]=1 797 B8R1.1 O=Cc1ccc(F)s1 Amb10249047 [0,1,0,0,0,0|0,1,0]=2 798 B8R1.1 O=Cc1ccc(I)o1 Amb1669363 [0,1,0,0,0,0|0,0,0]=1 799 B8R1.1 O=Cc1ccc(I)s1 Amb20621479 [0,1,0,0,0,0|0,1,0]=2 800 B8R1.1 O=Cc1ccc(O)o1 Amb26370088 [0,1,0,0,0,0|0,0,0]=1 801 B8R1.1 O=Cc1ccc(O)s1 Amb24741796 [0,1,0,0,0,0|0,1,0]=2 802 B8R1.1 O=Cc1ccc(S)s1 Amb26641991 [0,1,0,0,0,0|0,1,0]=2 803 B8R1.1 O=Cc1cn(Br)cn1 Amb20248185 [0,1,0,0,0,0|2,0,0]=3 804 B8R1.1 O=Cc1cnc(Br)o1 Amb10067561 [0,1,0,0,0,0|1,0,0]=2 805 B8R1.1 O=Cc1cnc(Br)s1 Amb2455702 [0,1,0,0,0,0|1,1,0]=3 806 B8R1.1 O=Cc1cnc(Cl)s1 Amb2407120 [0,1,0,0,0,0|1,1,0]=3 807 B8R1.1 O=Cc1cnc(O)s1 Amb18832574 [0,1,0,0,0,0|1,1,0]=3 808 B8R1.1 O=Cc1cnn(O)c1 Amb28246514 [0,1,0,0,0,0|3,0,0]=4 809 B8R1.1 O=Cc1coc(Br)c1 Amb18146214 [0,1,0,0,0,0|2,0,0]=3 810 B8R1.1 O=Cc1coc(Br)n1 Amb10067556 [0,1,0,0,0,0|2,0,0]=3 811 B8R1.1 O=Cc1coc(Cl)c1 Amb24452187 [0,1,0,0,0,0|2,0,0]=3 812 B8R1.1 O=Cc1coc(Cl)n1 Amb27228792 [0,1,0,0,0,0|2,0,0]=3 813 B8R1.1 O=Cc1coc(F)c1 Amb18833046 [0,1,0,0,0,0|2,0,0]=3 814 B8R1.1 O=Cc1coc(I)c1 Amb25223500 [0,1,0,0,0,0|2,0,0]=3 815 B8R1.1 O=Cc1csc(Br)c1 Amb1111482 [0,1,0,0,0,0|2,0,0]=3 816 B8R1.1 O=Cc1csc(Br)n1 Amb10067250 [0,1,0,0,0,0|2,0,0]=3 817 B8R1.1 O=Cc1csc(Cl)c1 Amb18644303 [0,1,0,0,0,0|2,0,0]=3 818 B8R1.1 O=Cc1csc(Cl)n1 Amb10067275 [0,1,0,0,0,0|2,0,0]=3 819 B8R1.1 O=Cc1csc(F)c1 Amb18203204 [0,1,0,0,0,0|2,0,0]=3 820 B8R1.1 O=Cc1csc(I)c1 Amb22749349 [0,1,0,0,0,0|2,0,0]=3 821 B8R1.1 O=Cc1nc(Br)cs1 Amb2447476 [0,1,0,0,0,0|1,1,0]=3 822 B8R1.1 O=Cc1nc(Br)no1 Amb25269884 [0,1,0,0,0,0|2,0,0]=3 823 B8R1.1 O=Cc1nc(Cl)cs1 Amb26625051 [0,1,0,0,0,0|1,1,0]=3 824 B8R1.1 O=Cc1nc(O)cs1 Amb35710100 [0,1,0,0,0,0|1,1,0]=3 825 B8R1.1 O=Cc1ncc(Br)s1 Amb10606154 [0,1,0,0,0,0|1,1,0]=3 826 B8R1.1 O=Cc1ncc(Cl)s1 Amb10071211 [0,1,0,0,0,0|1,1,0]=3 827 B8R1.1 O=Cc1ncc(I)s1 Amb27459548 [0,1,0,0,0,0|1,1,0]=3 828 B8R1.1 O=Cc1nnc(Br)s1 Amb23402889 [0,1,0,0,0,0|2,1,0]=4 829 B8R1.1 O=Cc1nnc(Cl)s1 Amb23402888 [0,1,0,0,0,0|2,1,0]=4 830 B8R1.1 O=Cc1noc(Cl)n1 Amb27976003 [0,1,0,0,0,0|3,0,0]=4 831 B8R1.1 OCc1cc(Br)co1 Amb21857563 [0,1,0,0,0,0|0,0,2]=3 832 B8R1.1 OCc1cc(Br)cs1 Amb837408 [0,1,0,0,0,0|0,1,2]=4 833 B8R1.1 OCc1cc(Br)no1 Amb2455736 [0,1,0,0,0,0|1,0,2]=4 834 B8R1.1 OCc1cc(Cl)co1 Amb23537660 [0,1,0,0,0,0|0,0,2]=3 835 B8R1.1 OCc1cc(Cl)cs1 Amb23439217 [0,1,0,0,0,0|0,1,2]=4 836 B8R1.1 OCc1cc(F)cs1 Amb26913691 [0,1,0,0,0,0|0,1,2]=4 837 B8R1.1 OCc1ccc(Br)o1 Amb1111133 [0,1,0,0,0,0|0,0,2]=3 838 B8R1.1 OCc1ccc(Br)s1 Amb1110302 [0,1,0,0,0,0|0,1,2]=4 839 B8R1.1 OCc1ccc(Cl)o1 Amb22498874 [0,1,0,0,0,0|0,0,2]=3 840 B8R1.1 OCc1ccc(Cl)s1 Amb837258 [0,1,0,0,0,0|0,1,2]=4 841 B8R1.1 OCc1ccc(F)o1 Amb24696625 [0,1,0,0,0,0|0,0,2]=3 842 B8R1.1 OCc1ccc(F)s1 Amb19892820 [0,1,0,0,0,0|0,1,2]=4 843 B8R1.1 OCc1ccc(I)o1 Amb9619570 [0,1,0,0,0,0|0,0,2]=3 844 B8R1.1 OCc1cnc(Br)o1 Amb10067560 [0,1,0,0,0,0|1,0,2]=4 845 B8R1.1 OCc1nc(Br)co1 Amb26499933 [0,1,0,0,0,0|1,0,2]=4 846 B8R1.1 OCc1ncc(Br)o1 Amb28350089 [0,1,0,0,0,0|1,0,2]=4 847 B8R1.1 Oc1cc(CCl)on1 Amb2444789 [0,1,0,0,0,0|2,0,1]=4 848 B8R1.1 Oc1ccc(CS)o1 Amb27152480 [0,1,0,0,0,0|0,1,1]=3 849 B8R1.1 Oc1coc(CF)n1 Amb28052999 [0,1,0,0,0,0|2,0,1]=4 850 B8R1.1 Oc1ncc(CF)o1 Amb27208642 [0,1,0,0,0,0|2,0,1]=4 851 B8R1.1 SCc1cc(Br)co1 Amb28315696 [0,1,0,0,0,0|0,1,1]=3 852 B8R1.1 SCc1cc(Br)cs1 Amb24483181 [0,1,0,0,0,0|0,2,1]=4 853 B8R1.1 SCc1cc(Cl)co1 Amb25765416 [0,1,0,0,0,0|0,1,1]=3 854 B8R1.1 SCc1cc(Cl)cs1 Amb32788728 [0,1,0,0,0,0|0,2,1]=4 855 B8R1.1 SCc1cc(I)co1 Amb25310706 [0,1,0,0,0,0|0,1,1]=3 856 B8R1.1 SCc1ccc(Br)o1 Amb24702374 [0,1,0,0,0,0|0,1,1]=3 857 B8R1.1 SCc1ccc(Br)s1 Amb26479791 [0,1,0,0,0,0|0,2,1]=4 858 B8R1.1 SCc1ccc(Cl)o1 Amb25962627 [0,1,0,0,0,0|0,1,1]=3 859 B8R1.1 SCc1ccc(Cl)s1 Amb25879800 [0,1,0,0,0,0|0,2,1]=4 860 B8R1.1 SCc1ccc(I)o1 Amb25863515 [0,1,0,0,0,0|0,1,1]=3 861 B8R1.1 [C-]#[N+]c1cc(C)no1 Amb33326781 [0,1,0,0,0,0|3,0,0]=4 862 B8R1.7 C=C(Br)c1ccco1 Amb28075689 [0,1,0,0,0,0|1,0,0]=2 863 B8R1.7 C=C(Br)c1ccsc1 Amb27667868 [0,1,0,0,0,0|3,0,0]=4 864 B8R1.7 C=C(C)c1ccco1 Amb24532306 [0,1,0,0,0,0|1,0,0]=2 865 B8R1.7 C=C(C)c1cccs1 Amb28141914 [0,1,0,0,0,0|1,1,0]=3 866 B8R1.7 C=C(C)c1ccoc1 Amb27627290 [0,1,0,0,0,0|3,0,0]=4 867 B8R1.7 CB(Br)c1cccs1 Amb27636578 [0,1,0,0,0,0|2,1,0]=4 868 B8R1.7 CC(=O)C1=CCCC1 Amb22338190 [0,1,0,0,0,0|1,0,2]=4 869 B8R1.7 CC(=O)C1=CCCN1 Amb27880337 [0,1,0,0,0,0|1,0,2]=4 870 B8R1.7 CC(=O)C1=CCCO1 Amb25759909 [0,1,0,0,0,0|0,0,2]=3 871 B8R1.7 CC(=O)C1=CNCC1 Amb27455189 [0,1,0,0,0,0|2,0,1]=4 872 B8R1.7 CC(=O)C1=C[CH-]C=C1 Amb2227554 [0,1,0,0,0,0|1,0,1]=3 873 B8R1.7 CC(=O)C1=NCCO1 Amb24481446 [0,1,0,0,0,0|1,0,2]=4 874 B8R1.7 CC(=O)C1CC=CN1 Amb26979687 [0,1,0,0,0,0|1,0,2]=4 875 B8R1.7 CC(=O)C1CC=NO1 Amb27481847 [0,1,0,0,0,0|1,0,2]=4 876 B8R1.7 CC(=O)[c-]1cccc1 Amb34916050 [0,1,0,0,0,0|1,0,1]=3 877 B8R1.7 CC(=O)c1cc[se]c1 Amb2611517 [0,1,0,0,0,0|2,0,0]=3 878 B8R1.7 CC(=O)c1ccc[se]1 Amb17673999 [0,1,0,0,0,0|0,1,0]=2 879 B8R1.7 CC(=O)c1ccco1 Amb2782007 [0,1,0,0,0,0|0,0,0]=1 880 B8R1.7 CC(=O)c1cccs1 Amb2684284 [0,1,0,0,0,0|0,1,0]=2 881 B8R1.7 CC(=O)c1ccno1 Amb20242198 [0,1,0,0,0,0|1,0,0]=2 882 B8R1.7 CC(=O)c1ccns1 Amb13883508 [0,1,0,0,0,0|1,1,0]=3 883 B8R1.7 CC(=O)c1ccoc1 Amb2440799 [0,1,0,0,0,0|2,0,0]=3 884 B8R1.7 CC(=O)c1ccon1 Amb20242197 [0,1,0,0,0,0|2,0,0]=3 885 B8R1.7 CC(=O)c1ccsc1 Amb535812 [0,1,0,0,0,0|2,0,0]=3 886 B8R1.7 CC(=O)c1ccsn1 Amb25044341 [0,1,0,0,0,0|2,0,0]=3 887 B8R1.7 CC(=O)c1cnco1 Amb24737064 [0,1,0,0,0,0|1,0,0]=2 888 B8R1.7 CC(=O)c1cncs1 Amb33531201 [0,1,0,0,0,0|1,1,0]=3 889 B8R1.7 CC(=O)c1cnns1 Amb17772366 [0,1,0,0,0,0|2,1,0]=4 890 B8R1.7 CC(=O)c1cnon1 Amb18833096 [0,1,0,0,0,0|3,0,0]=4 891 B8R1.7 CC(=O)c1cnsc1 Amb26359853 [0,1,0,0,0,0|3,0,0]=4 892 B8R1.7 CC(=O)c1cocn1 Amb18833111 [0,1,0,0,0,0|2,0,0]=3 893 B8R1.7 CC(=O)c1cscn1 Amb33543399 [0,1,0,0,0,0|2,0,0]=3 894 B8R1.7 CC(=O)c1csnn1 Amb18203245 [0,1,0,0,0,0|3,0,0]=4 895 B8R1.7 CC(=O)c1ncco1 Amb19958429 [0,1,0,0,0,0|1,0,0]=2 896 B8R1.7 CC(=O)c1nccs1 Amb2684283 [0,1,0,0,0,0|1,1,0]=3 897 B8R1.7 CC(=O)c1ncno1 Amb25119390 [0,1,0,0,0,0|2,0,0]=3 898 B8R1.7 CC(=O)c1ncsn1 Amb26887703 [0,1,0,0,0,0|3,0,0]=4 899 B8R1.7 CC(=O)c1nnco1 Amb28322871 [0,1,0,0,0,0|2,0,0]=3 900 B8R1.7 CC(=O)c1nnno1 Amb25798453 [0,1,0,0,0,0|3,0,0]=4 901 B8R1.7 CC(=O)n1cccn1 Amb3372586 [0,1,0,0,0,0|2,0,0]=3 902 B8R1.7 CC(=O)n1ccnc1 Amb2684250 [0,1,0,0,0,0|3,0,0]=4 903 B8R1.7 CC(=O)n1cncn1 Amb22584191 [0,1,0,0,0,0|3,0,0]=4 904 B8R1.7 CC(=O)n1nccn1 Amb28344017 [0,1,0,0,0,0|3,0,0]=4 905 B8R1.7 CC(Br)c1cccs1 Amb17447081 [0,1,0,0,0,0|1,1,1]=4 906 B8R1.7 CC(C)=C1C=CC=C1 Amb2720978 [0,1,0,0,0,0|2,0,0]=3 907 B8R1.7 CC(C)=C1C=CSC1 Amb28188823 [0,1,0,0,0,0|3,0,0]=4 908 B8R1.7 CC(C)C1=CC=CC1 Amb22227970 [0,1,0,0,0,0|2,0,1]=4 909 B8R1.7 CC(C)c1ccco1 Amb22168231 [0,1,0,0,0,0|1,0,1]=3 910 B8R1.7 CC(C)c1cccs1 Amb17689449 [0,1,0,0,0,0|1,1,1]=4 911 B8R1.7 CC(C)c1cnco1 Amb24641479 [0,1,0,0,0,0|2,0,1]=4 912 B8R1.7 CC(C)c1ncco1 Amb17399790 [0,1,0,0,0,0|2,0,1]=4 913 B8R1.7 CC(Cl)c1ccco1 Amb17138373 [0,1,0,0,0,0|1,0,1]=3 914 B8R1.7 CC(Cl)c1cccs1 Amb17138413 [0,1,0,0,0,0|1,1,1]=4 915 B8R1.7 CC(N)=C1C=CC=C1 Amb27245689 [0,1,0,0,0,0|2,0,0]=3 916 B8R1.7 CC(N)c1ccco1 Amb6893074 [0,1,0,0,0,0|1,0,1]=3 917 B8R1.7 CC(N)c1ccco1 Amb9745704 [0,1,0,0,0,0|1,0,1]=3 918 B8R1.7 CC(N)c1cccs1 Amb1790688 [0,1,0,0,0,0|1,1,1]=4 919 B8R1.7 CC(N)c1cccs1 Amb6487447 [0,1,0,0,0,0|1,1,1]=4 920 B8R1.7 CC(N)c1ccno1 Amb8009695 [0,1,0,0,0,0|2,0,1]=4 921 B8R1.7 CC(N)c1cnco1 Amb22233789 [0,1,0,0,0,0|2,0,1]=4 922 B8R1.7 CC(N)c1cnco1 Amb32651648 [0,1,0,0,0,0|2,0,1]=4 923 B8R1.7 CC(N)c1cnco1 Amb8009704 [0,1,0,0,0,0|2,0,1]=4 924 B8R1.7 CC(N)c1ncco1 Amb28934825 [0,1,0,0,0,0|2,0,1]=4 925 B8R1.7 CC(N)c1ncco1 Amb8009702 [0,1,0,0,0,0|2,0,1]=4 926 B8R1.7 CC(O)c1ccco1 Amb2725588 [0,1,0,0,0,0|0,0,2]=3 927 B8R1.7 CC(O)c1cccs1 Amb5722410 [0,1,0,0,0,0|0,1,2]=4 928 B8R1.7 CC(O)c1ccno1 Amb27205103 [0,1,0,0,0,0|1,0,2]=4 929 B8R1.7 CC(O)c1cnco1 Amb33295049 [0,1,0,0,0,0|1,0,2]=4 930 B8R1.7 CC(S)c1ccco1 Amb9208025 [0,1,0,0,0,0|0,1,1]=3 931 B8R1.7 CC(S)c1cccs1 Amb9204475 [0,1,0,0,0,0|0,2,1]=4 932 B8R1.7 CN(C)c1ccno1 Amb25861881 [0,1,0,0,0,0|3,0,0]=4 933 B8R1.7 C[C@@H](N)c1ccco1 Amb13952986 [0,1,0,0,0,0|1,0,1]=3 934 B8R1.7 C[C@@H](N)c1ccco1 Amb30526698 [0,1,0,0,0,0|1,0,1]=3 935 B8R1.7 C[C@@H](N)c1cccs1 Amb13952998 [0,1,0,0,0,0|1,1,1]=4 936 B8R1.7 C[C@@H](N)c1cnco1 Amb22748747 [0,1,0,0,0,0|2,0,1]=4 937 B8R1.7 C[C@@H](N)c1ncco1 Amb19374517 [0,1,0,0,0,0|2,0,1]=4 938 B8R1.7 C[C@@H](O)C1=CC=CC1 Amb27763807 [0,1,0,0,0,0|1,0,2]=4 939 B8R1.7 C[C@@H](O)c1ccco1 Amb8515979 [0,1,0,0,0,0|0,0,2]=3 940 B8R1.7 C[C@H](N)c1ccco1 Amb13952985 [0,1,0,0,0,0|1,0,1]=3 941 B8R1.7 C[C@H](N)c1ccco1 Amb28934820 [0,1,0,0,0,0|1,0,1]=3 942 B8R1.7 C[C@H](N)c1cccs1 Amb13952997 [0,1,0,0,0,0|1,1,1]=4 943 B8R1.7 C[C@H](N)c1cccs1 Amb33872484 [0,1,0,0,0,0|1,1,1]=4 944 B8R1.7 C[C@H](N)c1cnco1 Amb28363873 [0,1,0,0,0,0|2,0,1]=4 945 B8R1.7 C[C@H](O)C1=CC=CC1 Amb28079112 [0,1,0,0,0,0|1,0,2]=4 946 B8R1.7 C[C@H](O)c1ccco1 Amb8515981 [0,1,0,0,0,0|0,0,2]=3 947 B8R1.7 C[C@H](O)c1cccs1 Amb13952996 [0,1,0,0,0,0|0,1,2]=4 948 B8R1.7 C[SiH](C)c1ccco1 Amb27624813 [0,1,0,0,0,0|1,1,0]=3 949 B8R1.7 ClC(Cl)c1ccno1 Amb27860280 [0,1,0,0,0,0|2,0,1]=4 950 B8R1.7 ClP(Cl)c1cccs1 Amb4297331 [0,1,0,0,0,0|2,1,0]=4 951 B8R1.7 Cl[SiH](Cl)c1cccs1 Amb27847661 [0,1,0,0,0,0|1,2,0]=4 952 B8R1.7 FC(F)c1ccco1 Amb26600908 [0,1,0,0,0,0|1,0,1]=3 953 B8R1.7 FC(F)c1cccs1 Amb26966095 [0,1,0,0,0,0|1,1,1]=4 954 B8R1.7 FC(F)c1cnco1 Amb29849596 [0,1,0,0,0,0|2,0,1]=4 955 B8R1.7 N=C(N)c1ccco1 Amb13952844 [0,1,0,0,0,0|1,0,0]=2 956 B8R1.7 N=C(N)c1ccco1 Amb2695169 [0,1,0,0,0,0|1,0,0]=2 957 B8R1.7 N=C(N)c1ccco1 Amb9210508 [0,1,0,0,0,0|1,0,0]=2 958 B8R1.7 N=C(N)c1cccs1 Amb2684312 [0,1,0,0,0,0|1,1,0]=3 959 B8R1.7 N=C(N)c1ccns1 Amb29852545 [0,1,0,0,0,0|2,1,0]=4 960 B8R1.7 N=C(N)c1ccoc1 Amb24388876 [0,1,0,0,0,0|3,0,0]=4 961 B8R1.7 N=C(N)c1ccoc1 Amb2724744 [0,1,0,0,0,0|3,0,0]=4 962 B8R1.7 N=C(N)c1ccon1 Amb33199047 [0,1,0,0,0,0|3,0,0]=4 963 B8R1.7 N=C(N)c1ccsc1 Amb2724755 [0,1,0,0,0,0|3,0,0]=4 964 B8R1.7 N=C(N)c1ccsc1 Amb8439397 [0,1,0,0,0,0|3,0,0]=4 965 B8R1.7 N=C(N)c1cnco1 Amb25200229 [0,1,0,0,0,0|2,0,0]=3 966 B8R1.7 N=C(N)c1cncs1 Amb18255775 [0,1,0,0,0,0|2,1,0]=4 967 B8R1.7 N=C(N)c1cncs1 Amb28934906 [0,1,0,0,0,0|2,1,0]=4 968 B8R1.7 N=C(N)c1cscn1 Amb28468141 [0,1,0,0,0,0|3,0,0]=4 969 B8R1.7 N=C(N)c1nccs1 Amb17934257 [0,1,0,0,0,0|2,1,0]=4 970 B8R1.7 N=C(N)c1nccs1 Amb33544287 [0,1,0,0,0,0|2,1,0]=4 971 B8R1.7 N=C(N)n1cccc1 Amb27595630 [0,1,0,0,0,0|3,0,0]=4 972 B8R1.7 N=C(N)n1cccn1 Amb10604060 [0,1,0,0,0,0|3,0,0]=4 973 B8R1.7 N=C(N)n1cccn1 Amb2720290 [0,1,0,0,0,0|3,0,0]=4 974 B8R1.7 N=C(O)c1cocn1 Amb21928044 [0,1,0,0,0,0|2,0,1]=4 975 B8R1.7 NC(=O)C1=CCCC1 Amb20622488 [0,1,0,0,0,0|1,0,2]=4 976 B8R1.7 NC(=O)C1=COCC1 Amb27837543 [0,1,0,0,0,0|2,0,1]=4 977 B8R1.7 NC(=O)C1C=CCC1 Amb25063981 [0,1,0,0,0,0|1,0,2]=4 978 B8R1.7 NC(=O)C1C=CCN1 Amb27246432 [0,1,0,0,0,0|1,0,2]=4 979 B8R1.7 NC(=O)C1CC=CC1 Amb10068010 [0,1,0,0,0,0|1,0,2]=4 980 B8R1.7 NC(=O)N1C=CCC1 Amb27216170 [0,1,0,0,0,0|2,0,1]=4 981 B8R1.7 NC(=O)N1C=CNN1 Amb27214678 [0,1,0,0,0,0|3,0,0]=4 982 B8R1.7 NC(=O)N1C=CNO1 Amb27235717 [0,1,0,0,0,0|2,0,0]=3 983 B8R1.7 NC(=O)N1C=CNS1 Amb27968648 [0,1,0,0,0,0|2,1,0]=4 984 B8R1.7 NC(=O)N1CC=CC1 Amb27837546 [0,1,0,0,0,0|2,0,1]=4 985 B8R1.7 NC(=O)c1ccco1 Amb6373632 [0,1,0,0,0,0|0,0,0]=1 986 B8R1.7 NC(=O)c1cccs1 Amb2722696 [0,1,0,0,0,0|0,1,0]=2 987 B8R1.7 NC(=O)c1ccno1 Amb4477414 [0,1,0,0,0,0|1,0,0]=2 988 B8R1.7 NC(=O)c1ccns1 Amb24409499 [0,1,0,0,0,0|1,1,0]=3 989 B8R1.7 NC(=O)c1ccoc1 Amb8998597 [0,1,0,0,0,0|2,0,0]=3 990 B8R1.7 NC(=O)c1ccon1 Amb20630182 [0,1,0,0,0,0|2,0,0]=3 991 B8R1.7 NC(=O)c1ccsc1 Amb8998201 [0,1,0,0,0,0|2,0,0]=3 992 B8R1.7 NC(=O)c1ccsn1 Amb25224962 [0,1,0,0,0,0|2,0,0]=3 993 B8R1.7 NC(=O)c1cnco1 Amb22000976 [0,1,0,0,0,0|1,0,0]=2 994 B8R1.7 NC(=O)c1cncs1 Amb19514920 [0,1,0,0,0,0|1,1,0]=3 995 B8R1.7 NC(=O)c1cnns1 Amb9383988 [0,1,0,0,0,0|2,1,0]=4 996 B8R1.7 NC(=O)c1cnsc1 Amb24681476 [0,1,0,0,0,0|3,0,0]=4 997 B8R1.7 NC(=O)c1cocn1 Amb21857139 [0,1,0,0,0,0|2,0,0]=3 998 B8R1.7 NC(=O)c1cscn1 Amb8631050 [0,1,0,0,0,0|2,0,0]=3 999 B8R1.7 NC(=O)c1csnn1 Amb2725701 [0,1,0,0,0,0|3,0,0]=4 1000 B8R1.7 NC(=O)c1ncco1 Amb21963562 [0,1,0,0,0,0|1,0,0]=2 1001 B8R1.7 NC(=O)c1nccs1 Amb5494087 [0,1,0,0,0,0|1,1,0]=3 1002 B8R1.7 NC(=O)c1ncon1 Amb25169588 [0,1,0,0,0,0|3,0,0]=4 1003 B8R1.7 NC(=O)c1nncs1 Amb23437055 [0,1,0,0,0,0|2,1,0]=4 1004 B8R1.7 NC(=O)n1cccc1 Amb17938700 [0,1,0,0,0,0|2,0,0]=3 1005 B8R1.7 NC(=O)n1ccnn1 Amb27877905 [0,1,0,0,0,0|3,0,0]=4 1006 B8R1.7 NC(=O)n1cncn1 Amb24621879 [0,1,0,0,0,0|3,0,0]=4 1007 B8R1.7 NC(=S)c1ccco1 Amb2099744 [0,1,0,0,0,0|0,1,0]=2 1008 B8R1.7 NC(=S)c1cccs1 Amb1152349 [0,1,0,0,0,0|0,2,0]=3 1009 B8R1.7 NC(=S)c1ccno1 Amb2726012 [0,1,0,0,0,0|1,1,0]=3 1010 B8R1.7 NC(=S)c1ccns1 Amb35720413 [0,1,0,0,0,0|1,2,0]=4 1011 B8R1.7 NC(=S)c1ccoc1 Amb2724745 [0,1,0,0,0,0|2,1,0]=4 1012 B8R1.7 NC(=S)c1ccon1 Amb25378762 [0,1,0,0,0,0|2,1,0]=4 1013 B8R1.7 NC(=S)c1ccsc1 Amb1154612 [0,1,0,0,0,0|2,1,0]=4 1014 B8R1.7 NC(=S)c1ccsn1 Amb33496181 [0,1,0,0,0,0|2,1,0]=4 1015 B8R1.7 NC(=S)c1cnco1 Amb21928050 [0,1,0,0,0,0|1,1,0]=3 1016 B8R1.7 NC(=S)c1cncs1 Amb18255776 [0,1,0,0,0,0|1,2,0]=4 1017 B8R1.7 NC(=S)c1cocn1 Amb13890530 [0,1,0,0,0,0|2,1,0]=4 1018 B8R1.7 NC(=S)c1cscn1 Amb10068447 [0,1,0,0,0,0|2,1,0]=4 1019 B8R1.7 NC(=S)c1nccs1 Amb8630334 [0,1,0,0,0,0|1,2,0]=4 1020 B8R1.7 NC(=S)n1cccn1 Amb2429874 [0,1,0,0,0,0|2,1,0]=4 1021 B8R1.7 NC(N)=C1C=CC=N1 Amb25711339 [0,1,0,0,0,0|2,0,0]=3 1022 B8R1.7 NC(N)=C1C=CN=N1 Amb27808459 [0,1,0,0,0,0|3,0,0]=4 1023 B8R1.7 NC(O)c1cccs1 Amb27186320 [0,1,0,0,0,0|0,1,2]=4 1024 B8R1.7 O=C(Br)c1cccs1 Amb27239935 [0,1,0,0,0,0|0,1,0]=2 1025 B8R1.7 O=C(Cl)C1=CCCC1 Amb25870845 [0,1,0,0,0,0|1,0,2]=4 1026 B8R1.7 O=C(Cl)C1CC=CC1 Amb24371090 [0,1,0,0,0,0|1,0,2]=4 1027 B8R1.7 O=C(Cl)c1ccco1 Amb2716231 [0,1,0,0,0,0|0,0,0]=1 1028 B8R1.7 O=C(Cl)c1cccs1 Amb1157175 [0,1,0,0,0,0|0,1,0]=2 1029 B8R1.7 O=C(Cl)c1ccno1 Amb2689052 [0,1,0,0,0,0|1,0,0]=2 1030 B8R1.7 O=C(Cl)c1ccns1 Amb26413872 [0,1,0,0,0,0|1,1,0]=3 1031 B8R1.7 O=C(Cl)c1ccoc1 Amb33528390 [0,1,0,0,0,0|2,0,0]=3 1032 B8R1.7 O=C(Cl)c1ccsc1 Amb33527269 [0,1,0,0,0,0|2,0,0]=3 1033 B8R1.7 O=C(Cl)c1cnco1 Amb26915176 [0,1,0,0,0,0|1,0,0]=2 1034 B8R1.7 O=C(Cl)c1cncs1 Amb33329448 [0,1,0,0,0,0|1,1,0]=3 1035 B8R1.7 O=C(Cl)c1cnon1 Amb27799957 [0,1,0,0,0,0|3,0,0]=4 1036 B8R1.7 O=C(Cl)c1cocn1 Amb23440854 [0,1,0,0,0,0|2,0,0]=3 1037 B8R1.7 O=C(Cl)c1cscn1 Amb8631052 [0,1,0,0,0,0|2,0,0]=3 1038 B8R1.7 O=C(Cl)c1csnn1 Amb535502 [0,1,0,0,0,0|3,0,0]=4 1039 B8R1.7 O=C(Cl)c1nccs1 Amb2723139 [0,1,0,0,0,0|1,1,0]=3 1040 B8R1.7 O=C(Cl)c1ncon1 Amb16230808 [0,1,0,0,0,0|3,0,0]=4 1041 B8R1.7 O=C(Cl)n1cccn1 Amb22886609 [0,1,0,0,0,0|2,0,0]=3 1042 B8R1.7 O=C(O)C1=CCCC1 Amb3940288 [0,1,0,0,0,0|1,0,2]=4 1043 B8R1.7 O=C(O)C1=CCCN1 Amb17593173 [0,1,0,0,0,0|1,0,2]=4 1044 B8R1.7 O=C(O)C1=CCCO1 Amb19148920 [0,1,0,0,0,0|0,0,2]=3 1045 B8R1.7 O=C(O)C1=CCCS1 Amb18642795 [0,1,0,0,0,0|0,1,2]=4 1046 B8R1.7 O=C(O)C1=CCNC1 Amb26017269 [0,1,0,0,0,0|2,0,1]=4 1047 B8R1.7 O=C(O)C1=CCOC1 Amb24434391 [0,1,0,0,0,0|2,0,1]=4 1048 B8R1.7 O=C(O)C1=CCSC1 Amb18642797 [0,1,0,0,0,0|2,0,1]=4 1049 B8R1.7 O=C(O)C1=CN=S=N1 Amb17798585 [0,1,0,0,0,0|3,0,0]=4 1050 B8R1.7 O=C(O)C1=COCC1 Amb18124248 [0,1,0,0,0,0|2,0,1]=4 1051 B8R1.7 O=C(O)C1=CSCS1 Amb25330178 [0,1,0,0,0,0|1,1,1]=4 1052 B8R1.7 O=C(O)C1C=CCC1 Amb18641680 [0,1,0,0,0,0|1,0,2]=4 1053 B8R1.7 O=C(O)C1C=CCN1 Amb22899488 [0,1,0,0,0,0|1,0,2]=4 1054 B8R1.7 O=C(O)C1C=CCN1 Amb9804432 [0,1,0,0,0,0|1,0,2]=4 1055 B8R1.7 O=C(O)C1C=CCO1 Amb18641762 [0,1,0,0,0,0|0,0,2]=3 1056 B8R1.7 O=C(O)C1CC=CC1 Amb2694750 [0,1,0,0,0,0|1,0,2]=4 1057 B8R1.7 O=C(O)C1CC=NO1 Amb27216537 [0,1,0,0,0,0|1,0,2]=4 1058 B8R1.7 O=C(O)C1OC=CS1 Amb27489874 [0,1,0,0,0,0|1,0,1]=3 1059 B8R1.7 O=C(O)[C@@H]1C=CCN1 Amb16183937 [0,1,0,0,0,0|1,0,2]=4 1060 B8R1.7 O=C(O)[C@@H]1C=CCN1 Amb22750611 [0,1,0,0,0,0|1,0,2]=4 1061 B8R1.7 O=C(O)[C@H]1C=CCC1 Amb27872028 [0,1,0,0,0,0|1,0,2]=4 1062 B8R1.7 O=C(O)[C@H]1C=CCN1 Amb34158387 [0,1,0,0,0,0|1,0,2]=4 1063 B8R1.7 O=C(O)[c-]1cccc1 Amb33801890 [0,1,0,0,0,0|1,0,1]=3 1064 B8R1.7 O=C(O)[c-]1cccc1 Amb34916034 [0,1,0,0,0,0|1,0,1]=3 1065 B8R1.7 O=C(O)c1ccc[se]1 Amb2611630 [0,1,0,0,0,0|0,1,0]=2 1066 B8R1.7 O=C(O)c1ccco1 Amb6335264 [0,1,0,0,0,0|0,0,0]=1 1067 B8R1.7 O=C(O)c1cccs1 Amb2690602 [0,1,0,0,0,0|0,1,0]=2 1068 B8R1.7 O=C(O)c1ccno1 Amb1152220 [0,1,0,0,0,0|1,0,0]=2 1069 B8R1.7 O=C(O)c1ccns1 Amb1091955 [0,1,0,0,0,0|1,1,0]=3 1070 B8R1.7 O=C(O)c1ccoc1 Amb2720344 [0,1,0,0,0,0|2,0,0]=3 1071 B8R1.7 O=C(O)c1ccon1 Amb8386353 [0,1,0,0,0,0|2,0,0]=3 1072 B8R1.7 O=C(O)c1ccsc1 Amb1156673 [0,1,0,0,0,0|2,0,0]=3 1073 B8R1.7 O=C(O)c1ccsn1 Amb19894963 [0,1,0,0,0,0|2,0,0]=3 1074 B8R1.7 O=C(O)c1cnco1 Amb1158212 [0,1,0,0,0,0|1,0,0]=2 1075 B8R1.7 O=C(O)c1cncs1 Amb1158214 [0,1,0,0,0,0|1,1,0]=3 1076 B8R1.7 O=C(O)c1cnns1 Amb3319162 [0,1,0,0,0,0|2,1,0]=4 1077 B8R1.7 O=C(O)c1cnoc1 Amb8878121 [0,1,0,0,0,0|3,0,0]=4 1078 B8R1.7 O=C(O)c1cnon1 Amb6316077 [0,1,0,0,0,0|3,0,0]=4 1079 B8R1.7 O=C(O)c1cnsc1 Amb2785373 [0,1,0,0,0,0|3,0,0]=4 1080 B8R1.7 O=C(O)c1cnsn1 Amb1091970 [0,1,0,0,0,0|3,0,0]=4 1081 B8R1.7 O=C(O)c1cocn1 Amb10071584 [0,1,0,0,0,0|2,0,0]=3 1082 B8R1.7 O=C(O)c1conn1 Amb28286788 [0,1,0,0,0,0|3,0,0]=4 1083 B8R1.7 O=C(O)c1cscn1 Amb17039667 [0,1,0,0,0,0|2,0,0]=3 1084 B8R1.7 O=C(O)c1cscn1 Amb2455731 [0,1,0,0,0,0|2,0,0]=3 1085 B8R1.7 O=C(O)c1csnn1 Amb535501 [0,1,0,0,0,0|3,0,0]=4 1086 B8R1.7 O=C(O)c1ncco1 Amb8009395 [0,1,0,0,0,0|1,0,0]=2 1087 B8R1.7 O=C(O)c1nccs1 Amb6572012 [0,1,0,0,0,0|1,1,0]=3 1088 B8R1.7 O=C(O)c1ncno1 Amb8009397 [0,1,0,0,0,0|2,0,0]=3 1089 B8R1.7 O=C(O)c1ncns1 Amb18203206 [0,1,0,0,0,0|2,1,0]=4 1090 B8R1.7 O=C(O)c1ncon1 Amb8009396 [0,1,0,0,0,0|3,0,0]=4 1091 B8R1.7 O=C(O)c1nnco1 Amb21964326 [0,1,0,0,0,0|2,0,0]=3 1092 B8R1.7 O=C(O)c1nncs1 Amb20241053 [0,1,0,0,0,0|2,1,0]=4 1093 B8R1.7 O=C(O)n1cccc1 Amb17938698 [0,1,0,0,0,0|2,0,0]=3 1094 B8R1.7 O=C([O-])c1cccs1 Amb10067272 [0,1,0,0,0,0|0,1,0]=2 1095 B8R1.7 O=C([O-])c1cncs1 Amb13951709 [0,1,0,0,0,0|1,1,0]=3 1096 B8R1.7 O=C([O-])c1cscn1 Amb13951445 [0,1,0,0,0,0|2,0,0]=3 1097 B8R1.7 O=C([O-])c1ncco1 Amb33547593 [0,1,0,0,0,0|1,0,0]=2 1098 B8R1.7 O=C([O-])c1ncco1 Amb33733801 [0,1,0,0,0,0|1,0,0]=2 1099 B8R1.7 O=C([O-])c1nccs1 Amb1102733 [0,1,0,0,0,0|1,1,0]=3 1100 B8R1.7 O=C([O-])c1nccs1 Amb6540690 [0,1,0,0,0,0|1,1,0]=3 1101 B8R1.7 O=C([O-])c1nncs1 Amb32992088 [0,1,0,0,0,0|2,1,0]=4 1102 B8R1.7 O=N(=O)c1cccs1 Amb20621934 [0,1,0,0,0,0|1,1,0]=3 1103 B8R1.7 O=N(=O)n1cccn1 Amb20621869 [0,1,0,0,0,0|3,0,0]=4 1104 B8R1.7 O=S(Cl)c1cccs1 Amb18563780 [0,1,0,0,0,0|1,1,0]=3 1105 B8R1.7 O=S(Cl)c1ccsc1 Amb27847221 [0,1,0,0,0,0|3,0,0]=4 1106 B8R1.7 O=S(O)c1cccs1 Amb18063457 [0,1,0,0,0,0|1,1,0]=3 1107 B8R1.7 O=S([O-])c1ccco1 Amb32754730 [0,1,0,0,0,0|1,0,0]=2 1108 B8R1.7 O=S([O-])c1cccs1 Amb19944454 [0,1,0,0,0,0|1,1,0]=3 1109 B8R1.7 O=S([O-])c1ccns1 Amb32755692 [0,1,0,0,0,0|2,1,0]=4 1110 B8R1.7 O=S([O-])c1ccoc1 Amb32755213 [0,1,0,0,0,0|3,0,0]=4 1111 B8R1.7 O=S([O-])c1ccsc1 Amb32753980 [0,1,0,0,0,0|3,0,0]=4 1112 B8R1.7 O=S([O-])c1cncs1 Amb32755180 [0,1,0,0,0,0|2,1,0]=4 1113 B8R1.7 O=S([O-])c1cscn1 Amb32754966 [0,1,0,0,0,0|3,0,0]=4 1114 B8R1.7 O=S([O-])c1nccs1 Amb32755078 [0,1,0,0,0,0|2,1,0]=4 1115 B8R1.7 O=[N+]([O-])c1ccco1 Amb10573954 [0,1,0,0,0,0|1,0,0]=2 1116 B8R1.7 O=[N+]([O-])c1cccs1 Amb1208024 [0,1,0,0,0,0|1,1,0]=3 1117 B8R1.7 O=[N+]([O-])c1ccoc1 Amb24433237 [0,1,0,0,0,0|3,0,0]=4 1118 B8R1.7 O=[N+]([O-])c1ccsc1 Amb2611681 [0,1,0,0,0,0|3,0,0]=4 1119 B8R1.7 O=[N+]([O-])c1cncs1 Amb10070705 [0,1,0,0,0,0|2,1,0]=4 1120 B8R1.7 O=[N+]([O-])c1cocn1 Amb27798946 [0,1,0,0,0,0|3,0,0]=4 1121 B8R1.7 O=[N+]([O-])c1cscn1 Amb28190783 [0,1,0,0,0,0|3,0,0]=4 1122 B8R1.7 O=[N+]([O-])c1ncco1 Amb27438667 [0,1,0,0,0,0|2,0,0]=3 1123 B8R1.7 O=[N+]([O-])c1nccs1 Amb10573893 [0,1,0,0,0,0|2,1,0]=4 1124 B8R1.7 O=[N+]([O-])c1nnco1 Amb22551856 [0,1,0,0,0,0|3,0,0]=4 1125 B8R1.7 O=[N+]([O-])n1cccn1 Amb2610536 [0,1,0,0,0,0|3,0,0]=4 1126 B8R1.7 OB(O)c1ccc[se]1 Amb10070609 [0,1,0,0,0,0|1,1,1]=4 1127 B8R1.7 OB(O)c1ccco1 Amb2235054 [0,1,0,0,0,0|1,0,1]=3 1128 B8R1.7 OB(O)c1cccs1 Amb2720322 [0,1,0,0,0,0|1,1,1]=4 1129 B8R1.7 OB(O)c1ccno1 Amb26339069 [0,1,0,0,0,0|2,0,1]=4 1130 B8R1.7 OB(O)c1cnco1 Amb20248129 [0,1,0,0,0,0|2,0,1]=4 1131 B8R1.8 BrC#Cc1cccs1 Amb17940364 [0,1,0,0,0,0|1,1,1]=4 1132 B8R1.8 BrCCc1ccco1 Amb22752866 [0,1,0,0,0,0|1,0,1]=3 1133 B8R1.8 BrCCc1cccs1 Amb16234134 [0,1,0,0,0,0|1,1,1]=4 1134 B8R1.8 BrCCc1cnco1 Amb33335799 [0,1,0,0,0,0|2,0,1]=4 1135 B8R1.8 Br\C=C\c1ccco1 Amb33134803 [0,1,0,0,0,0|1,0,0]=2 1136 B8R1.8 Br\C=C\c1cccs1 Amb33134763 [0,1,0,0,0,0|1,1,0]=3 1137 B8R1.8 Br\C=C\c1ccoc1 Amb27849530 [0,1,0,0,0,0|3,0,0]=4 1138 B8R1.8 Br\C=C\c1ccon1 Amb33135283 [0,1,0,0,0,0|3,0,0]=4 1139 B8R1.8 Br\C=C\c1ccsc1 Amb27612884 [0,1,0,0,0,0|3,0,0]=4 1140 B8R1.8 Br\C=C\c1cncs1 Amb33135071 [0,1,0,0,0,0|2,1,0]=4 1141 B8R1.8 Br\C=C\c1cocn1 Amb33135210 [0,1,0,0,0,0|3,0,0]=4 1142 B8R1.8 Br\C=C\c1cscn1 Amb33135090 [0,1,0,0,0,0|3,0,0]=4 1143 B8R1.8 Br\C=C\c1nccs1 Amb33135037 [0,1,0,0,0,0|2,1,0]=4 1144 B8R1.8 C#CCc1ccco1 Amb26445263 [0,1,0,0,0,0|1,0,1]=3 1145 B8R1.8 C#CCc1cccs1 Amb26358472 [0,1,0,0,0,0|1,1,1]=4 1146 B8R1.8 C#CCc1cnco1 Amb26004313 [0,1,0,0,0,0|2,0,1]=4 1147 B8R1.8 C#NCc1ccco1 Amb31132339 [0,1,0,0,0,0|1,0,1]=3 1148 B8R1.8 C#NCc1cccs1 Amb31132456 [0,1,0,0,0,0|1,1,1]=4 1149 B8R1.8 C=C=Cc1ccco1 Amb27638814 [0,1,0,0,0,0|1,0,0]=2 1150 B8R1.8 C=CCc1ccco1 Amb26612842 [0,1,0,0,0,0|1,0,0]=2 1151 B8R1.8 C=CCc1cccs1 Amb27882648 [0,1,0,0,0,0|1,1,0]=3 1152 B8R1.8 C=CCc1ccns1 Amb27205998 [0,1,0,0,0,0|2,1,0]=4 1153 B8R1.8 C=CCc1ccsc1 Amb27799958 [0,1,0,0,0,0|3,0,0]=4 1154 B8R1.8 C=CCc1cncs1 Amb35625105 [0,1,0,0,0,0|2,1,0]=4 1155 B8R1.8 C=CCn1cccc1 Amb9371428 [0,1,0,0,0,0|3,0,0]=4 1156 B8R1.8 C=CCn1cccn1 Amb4036063 [0,1,0,0,0,0|3,0,0]=4 1157 B8R1.8 C=NCc1ccco1 Amb28287800 [0,1,0,0,0,0|1,0,1]=3 1158 B8R1.8 C=NCc1cccs1 Amb27964411 [0,1,0,0,0,0|1,1,1]=4 1159 B8R1.8 CC#Cc1cccs1 Amb27878886 [0,1,0,0,0,0|1,1,1]=4 1160 B8R1.8 CC#Cc1cnco1 Amb27768597 [0,1,0,0,0,0|2,0,1]=4 1161 B8R1.8 CCCc1ccco1 Amb10070288 [0,1,0,0,0,0|1,0,1]=3 1162 B8R1.8 CCCc1cccs1 Amb2690417 [0,1,0,0,0,0|1,1,1]=4 1163 B8R1.8 CCCc1cnco1 Amb35647887 [0,1,0,0,0,0|2,0,1]=4 1164 B8R1.8 CCNc1ccco1 Amb27593280 [0,1,0,0,0,0|1,0,1]=3 1165 B8R1.8 CCNc1ncco1 Amb25744100 [0,1,0,0,0,0|2,0,1]=4 1166 B8R1.8 CCOc1ncco1 Amb28196629 [0,1,0,0,0,0|2,0,1]=4 1167 B8R1.8 CCSc1ccco1 Amb27667158 [0,1,0,0,0,0|1,0,1]=3 1168 B8R1.8 CCSc1cccs1 Amb17845323 [0,1,0,0,0,0|1,1,1]=4 1169 B8R1.8 CCSc1ncco1 Amb28365973 [0,1,0,0,0,0|2,0,1]=4 1170 B8R1.8 CNCc1ccco1 Amb1153202 [0,1,0,0,0,0|1,0,1]=3 1171 B8R1.8 CNCc1ccco1 Amb7172520 [0,1,0,0,0,0|1,0,1]=3 1172 B8R1.8 CNCc1cccs1 Amb1152299 [0,1,0,0,0,0|1,1,1]=4 1173 B8R1.8 CNCc1cccs1 Amb6344856 [0,1,0,0,0,0|1,1,1]=4 1174 B8R1.8 CNCc1ccno1 Amb8009694 [0,1,0,0,0,0|2,0,1]=4 1175 B8R1.8 CNCc1cnco1 Amb8009703 [0,1,0,0,0,0|2,0,1]=4 1176 B8R1.8 CNCc1ncco1 Amb8009701 [0,1,0,0,0,0|2,0,1]=4 1177 B8R1.8 COCc1ccco1 Amb24116969 [0,1,0,0,0,0|0,0,2]=3 1178 B8R1.8 COCc1cccs1 Amb25169518 [0,1,0,0,0,0|0,1,2]=4 1179 B8R1.8 COCc1ccno1 Amb28316180 [0,1,0,0,0,0|1,0,2]=4 1180 B8R1.8 COCc1cnco1 Amb35652247 [0,1,0,0,0,0|1,0,2]=4 1181 B8R1.8 CO[SiH2]c1ccco1 Amb27215529 [0,1,0,0,0,0|0,1,1]=3 1182 B8R1.8 CSCc1ccco1 Amb8393158 [0,1,0,0,0,0|0,1,1]=3 1183 B8R1.8 CSCc1ccno1 Amb28454927 [0,1,0,0,0,0|1,1,1]=4 1184 B8R1.8 C\N=C\c1cccs1 Amb27849144 [0,1,0,0,0,0|1,1,0]=3 1185 B8R1.8 C\N=C\c1ccsc1 Amb27186081 [0,1,0,0,0,0|3,0,0]=4 1186 B8R1.8 ClC#Cc1ccco1 Amb27200082 [0,1,0,0,0,0|1,0,1]=3 1187 B8R1.8 ClCCc1cccs1 Amb9004334 [0,1,0,0,0,0|1,1,1]=4 1188 B8R1.8 ClCCc1ccno1 Amb27970622 [0,1,0,0,0,0|2,0,1]=4 1189 B8R1.8 ClCSc1cccs1 Amb28347488 [0,1,0,0,0,0|1,1,1]=4 1190 B8R1.8 ClSCc1cccs1 Amb27959056 [0,1,0,0,0,0|0,2,1]=4 1191 B8R1.8 FC#Cc1cccs1 Amb27956120 [0,1,0,0,0,0|1,1,1]=4 1192 B8R1.8 ICCc1ccco1 Amb27224391 [0,1,0,0,0,0|1,0,1]=3 1193 B8R1.8 I\C=C\c1ccco1 Amb24697510 [0,1,0,0,0,0|1,0,0]=2 1194 B8R1.8 N#CCc1ccco1 Amb9210908 [0,1,0,0,0,0|1,0,1]=3 1195 B8R1.8 N#CCc1cccs1 Amb2690600 [0,1,0,0,0,0|1,1,1]=4 1196 B8R1.8 N#CCc1ccno1 Amb1106087 [0,1,0,0,0,0|2,0,1]=4 1197 B8R1.8 N#CCc1cnco1 Amb10071197 [0,1,0,0,0,0|2,0,1]=4 1198 B8R1.8 NCCC1=CC=CC1 Amb27975816 [0,1,0,0,0,0|2,0,1]=4 1199 B8R1.8 NCCc1ccco1 Amb1080943 [0,1,0,0,0,0|1,0,1]=3 1200 B8R1.8 NCCc1ccco1 Amb22587649 [0,1,0,0,0,0|1,0,1]=3 1201 B8R1.8 NCCc1cccs1 Amb1073690 [0,1,0,0,0,0|1,1,1]=4 1202 B8R1.8 NCCc1cccs1 Amb6858256 [0,1,0,0,0,0|1,1,1]=4 1203 B8R1.8 NCCc1ccno1 Amb32660914 [0,1,0,0,0,0|2,0,1]=4 1204 B8R1.8 NCCc1ccno1 Amb33804628 [0,1,0,0,0,0|2,0,1]=4 1205 B8R1.8 NCCc1ccno1 Amb8009428 [0,1,0,0,0,0|2,0,1]=4 1206 B8R1.8 NCCc1cnco1 Amb8009427 [0,1,0,0,0,0|2,0,1]=4 1207 B8R1.8 NCCc1ncco1 Amb8009425 [0,1,0,0,0,0|2,0,1]=4 1208 B8R1.8 NCSc1ccco1 Amb27843491 [0,1,0,0,0,0|1,0,1]=3 1209 B8R1.8 NNCc1ccco1 Amb29848033 [0,1,0,0,0,0|1,0,1]=3 1210 B8R1.8 NNCc1ccco1 Amb6246463 [0,1,0,0,0,0|1,0,1]=3 1211 B8R1.8 NNCc1cccs1 Amb22587449 [0,1,0,0,0,0|1,1,1]=4 1212 B8R1.8 NNCc1cccs1 Amb29848034 [0,1,0,0,0,0|1,1,1]=4 1213 B8R1.8 NNCc1cccs1 Amb6242338 [0,1,0,0,0,0|1,1,1]=4 1214 B8R1.8 NNCc1cnco1 Amb33415258 [0,1,0,0,0,0|2,0,1]=4 1215 B8R1.8 NOCc1ccco1 Amb25141783 [0,1,0,0,0,0|0,0,2]=3 1216 B8R1.8 NOCc1cccs1 Amb25189036 [0,1,0,0,0,0|0,1,2]=4 1217 B8R1.8 NOCc1cnco1 Amb33414840 [0,1,0,0,0,0|1,0,2]=4 1218 B8R1.8 N\C=C\c1ccco1 Amb28367758 [0,1,0,0,0,0|1,0,0]=2 1219 B8R1.8 N\C=C\c1cnco1 Amb28133163 [0,1,0,0,0,0|2,0,0]=3 1220 B8R1.8 N\N=C\c1ccco1 Amb35789578 [0,1,0,0,0,0|1,0,0]=2 1221 B8R1.8 N\N=C\c1ccns1 Amb35717311 [0,1,0,0,0,0|2,1,0]=4 1222 B8R1.8 N\N=C\c1nccs1 Amb27768186 [0,1,0,0,0,0|2,1,0]=4 1223 B8R1.8 O=C=Cc1cccs1 Amb27632892 [0,1,0,0,0,0|0,1,0]=2 1224 B8R1.8 O=C=Nc1ccco1 Amb6272977 [0,1,0,0,0,0|0,0,1]=2 1225 B8R1.8 O=C=Nc1cccs1 Amb2723194 [0,1,0,0,0,0|0,1,1]=3 1226 B8R1.8 O=C=Nc1ccno1 Amb18061875 [0,1,0,0,0,0|1,0,1]=3 1227 B8R1.8 O=C=Nc1ccoc1 Amb6275499 [0,1,0,0,0,0|2,0,1]=4 1228 B8R1.8 O=C=Nc1ccon1 Amb27646344 [0,1,0,0,0,0|2,0,1]=4 1229 B8R1.8 O=C=Nc1ccsc1 Amb2723198 [0,1,0,0,0,0|2,0,1]=4 1230 B8R1.8 O=C=Nc1cncs1 Amb28352310 [0,1,0,0,0,0|1,1,1]=4 1231 B8R1.8 O=CCC1CC=CC1 Amb18641620 [0,1,0,0,0,0|1,0,2]=4 1232 B8R1.8 O=CCc1ccco1 Amb17089526 [0,1,0,0,0,0|0,0,0]=1 1233 B8R1.8 O=CCc1cccs1 Amb17089527 [0,1,0,0,0,0|0,1,0]=2 1234 B8R1.8 O=CCc1ccno1 Amb28060201 [0,1,0,0,0,0|1,0,0]=2 1235 B8R1.8 O=CCc1ccoc1 Amb18641576 [0,1,0,0,0,0|2,0,0]=3 1236 B8R1.8 O=CCc1ccon1 Amb26390824 [0,1,0,0,0,0|2,0,0]=3 1237 B8R1.8 O=CCc1ccsc1 Amb26603755 [0,1,0,0,0,0|2,0,0]=3 1238 B8R1.8 O=CCc1ccsn1 Amb27190366 [0,1,0,0,0,0|2,0,0]=3 1239 B8R1.8 O=CCc1cnco1 Amb24653904 [0,1,0,0,0,0|1,0,0]=2 1240 B8R1.8 O=CCc1cncs1 Amb28316235 [0,1,0,0,0,0|1,1,0]=3 1241 B8R1.8 O=CCc1cnsc1 Amb35716917 [0,1,0,0,0,0|3,0,0]=4 1242 B8R1.8 O=CCc1cscn1 Amb24469342 [0,1,0,0,0,0|2,0,0]=3 1243 B8R1.8 O=CCc1csnn1 Amb26641203 [0,1,0,0,0,0|3,0,0]=4 1244 B8R1.8 O=CCc1ncco1 Amb26946687 [0,1,0,0,0,0|1,0,0]=2 1245 B8R1.8 O=CCc1nccs1 Amb26856976 [0,1,0,0,0,0|1,1,0]=3 1246 B8R1.8 O=CCn1cccc1 Amb18203408 [0,1,0,0,0,0|2,0,0]=3 1247 B8R1.8 O=CCn1cccn1 Amb32411521 [0,1,0,0,0,0|2,0,0]=3 1248 B8R1.8 O=CCn1cncn1 Amb27170214 [0,1,0,0,0,0|3,0,0]=4 1249 B8R1.8 O=CNc1ccco1 Amb28135036 [0,1,0,0,0,0|0,0,0]=1 1250 B8R1.8 O=CNc1cccs1 Amb28282647 [0,1,0,0,0,0|0,1,0]=2 1251 B8R1.8 O=CNc1cnoc1 Amb8393407 [0,1,0,0,0,0|3,0,0]=4 1252 B8R1.8 O=CNc1cnsc1 Amb25730573 [0,1,0,0,0,0|3,0,0]=4 1253 B8R1.8 O=CNc1csnn1 Amb29872192 [0,1,0,0,0,0|3,0,0]=4 1254 B8R1.8 O=CNc1nccs1 Amb10561672 [0,1,0,0,0,0|1,1,0]=3 1255 B8R1.8 O=CNc1ncon1 Amb27838423 [0,1,0,0,0,0|3,0,0]=4 1256 B8R1.8 O=COc1ccco1 Amb27591421 [0,1,0,0,0,0|0,0,0]=1 1257 B8R1.8 O=COc1cccs1 Amb27798954 [0,1,0,0,0,0|0,1,0]=2 1258 B8R1.8 O=CSn1ccnc1 Amb27209984 [0,1,0,0,0,0|3,0,0]=4 1259 B8R1.8 O=C\C=C1/C=COC1 Amb27461596 [0,1,0,0,0,0|2,0,0]=3 1260 B8R1.8 O=C\C=C1\CCCO1 Amb26868026 [0,1,0,0,0,0|0,0,3]=4 1261 B8R1.8 O=NNc1nccs1 Amb27862928 [0,1,0,0,0,0|2,1,0]=4 1262 B8R1.8 OCC=C1C=CC=C1 Amb27662404 [0,1,0,0,0,0|1,0,1]=3 1263 B8R1.8 OCCc1ccco1 Amb17089516 [0,1,0,0,0,0|0,0,2]=3 1264 B8R1.8 OCCc1cccs1 Amb2099445 [0,1,0,0,0,0|0,1,2]=4 1265 B8R1.8 OCCc1ccno1 Amb27164449 [0,1,0,0,0,0|1,0,2]=4 1266 B8R1.8 OCCc1cnco1 Amb33474917 [0,1,0,0,0,0|1,0,2]=4 1267 B8R1.8 OCCc1ncco1 Amb27495611 [0,1,0,0,0,0|1,0,2]=4 1268 B8R1.8 ONCc1ccco1 Amb23449450 [0,1,0,0,0,0|0,0,2]=3 1269 B8R1.8 ONCc1cccs1 Amb23449451 [0,1,0,0,0,0|0,1,2]=4 1270 B8R1.8 ONCc1cnco1 Amb27247434 [0,1,0,0,0,0|1,0,2]=4 1271 B8R1.8 O\N=C/c1cccs1 Amb27801792 [0,1,0,0,0,0|0,1,1]=3 1272 B8R1.8 O\N=C\c1ccco1 Amb6374169 [0,1,0,0,0,0|0,0,1]=2 1273 B8R1.8 O\N=C\c1cccs1 Amb6384738 [0,1,0,0,0,0|0,1,1]=3 1274 B8R1.8 O\N=C\c1ccns1 Amb25889294 [0,1,0,0,0,0|1,1,1]=4 1275 B8R1.8 O\N=C\c1ccoc1 Amb6397712 [0,1,0,0,0,0|2,0,1]=4 1276 B8R1.8 O\N=C\c1ccsc1 Amb2781192 [0,1,0,0,0,0|2,0,1]=4 1277 B8R1.8 O\N=C\c1nccs1 Amb22736216 [0,1,0,0,0,0|1,1,1]=4 1278 B8R1.8 S=C=Nc1cccs1 Amb28049014 [0,1,0,0,0,0|0,2,1]=4 1279 B8R1.8 SCCc1ccco1 Amb24511324 [0,1,0,0,0,0|0,1,1]=3 1280 B8R1.8 SCCc1cccs1 Amb17399886 [0,1,0,0,0,0|0,2,1]=4 1281 B8R1.8 SCCc1cnco1 Amb33319556 [0,1,0,0,0,0|1,1,1]=4 1282 B8R1.8 SCOc1ccco1 Amb28130026 [0,1,0,0,0,0|0,1,1]=3 1283 B8R1.8 [C-]#[N+]Cc1ccco1 Amb1981056 [0,1,0,0,0,0|1,0,1]=3 1284 B8R1.8 [C-]#[N+]Cc1cccs1 Amb3973219 [0,1,0,0,0,0|1,1,1]=4 1285 B8R1.8 [C-]#[N+]Cc1cnco1 Amb33414856 [0,1,0,0,0,0|2,0,1]=4 1286 B8R1.8 [N-]=[N+]=Cc1ccco1 Amb27971199 [0,1,0,0,0,0|1,0,0]=2 1287 B8R1.11 BrCc1sccc1Br Amb25793641 [0,1,0,0,0,0|1,1,1]=4 1288 B8R1.11 Br[Zn]c1sccc1Br Amb6300257 [0,1,0,0,0,0|2,1,0]=4 1289 B8R1.11 Brc1ccsc1CI Amb28064272 [0,1,0,0,0,0|1,1,1]=4 1290 B8R1.11 C#Cc1cccn1C Amb27167273 [0,1,0,0,0,0|2,0,1]=4 1291 B8R1.11 C#Cc1occc1Br Amb28456843 [0,1,0,0,0,0|1,0,1]=3 1292 B8R1.11 C#Cc1occc1C Amb26015975 [0,1,0,0,0,0|1,0,1]=3 1293 B8R1.11 C#Cc1ocnc1C Amb33169117 [0,1,0,0,0,0|2,0,1]=4 1294 B8R1.11 C#Cc1sccc1Br Amb25063906 [0,1,0,0,0,0|1,1,1]=4 1295 B8R1.11 C#Cc1sccc1C Amb22489883 [0,1,0,0,0,0|1,1,1]=4 1296 B8R1.11 C#Cc1sccc1Cl Amb24360339 [0,1,0,0,0,0|1,1,1]=4 1297 B8R1.11 C=C1N=CS\C1=C\Br Amb27185914 [0,1,0,0,0,0|2,1,0]=4 1298 B8R1.11 C=Cc1cccn1C Amb26856954 [0,1,0,0,0,0|2,0,0]=3 1299 B8R1.11 C=Cc1ccnn1C Amb26957295 [0,1,0,0,0,0|3,0,0]=4 1300 B8R1.11 C=Cc1ccoc1C Amb27814715 [0,1,0,0,0,0|3,0,0]=4 1301 B8R1.11 C=Cc1cscc1C Amb25746142 [0,1,0,0,0,0|3,0,0]=4 1302 B8R1.11 C=Cc1nccn1C Amb27668024 [0,1,0,0,0,0|3,0,0]=4 1303 B8R1.11 C=Cc1occc1C Amb28049005 [0,1,0,0,0,0|1,0,0]=2 1304 B8R1.11 C=Cc1sccc1Br Amb26342630 [0,1,0,0,0,0|1,1,0]=3 1305 B8R1.11 C=Cc1sccc1C Amb24532317 [0,1,0,0,0,0|1,1,0]=3 1306 B8R1.11 C=Cc1sccc1Cl Amb28244906 [0,1,0,0,0,0|1,1,0]=3 1307 B8R1.11 C=Cc1scnc1C Amb3941635 [0,1,0,0,0,0|2,1,0]=4 1308 B8R1.11 C=Cn1cccc1I Amb28436290 [0,1,0,0,0,0|3,0,0]=4 1309 B8R1.11 C=Cn1nccc1C Amb27845165 [0,1,0,0,0,0|3,0,0]=4 1310 B8R1.11 C=Cn1nccc1N Amb28435032 [0,1,0,0,0,0|3,0,0]=4 1311 B8R1.11 CC1=C(C=O)CCO1 Amb28320103 [0,1,0,0,0,0|2,0,1]=4 1312 B8R1.11 CC1=C(C=O)SCC1 Amb18642671 [0,1,0,0,0,0|0,1,2]=4 1313 B8R1.11 CCC1=CC=CC1C Amb28247297 [0,1,0,0,0,0|2,0,1]=4 1314 B8R1.11 CCC1OC=CC1=O Amb27828824 [0,1,0,0,0,0|1,0,2]=4 1315 B8R1.11 CCc1cccn1N Amb20621247 [0,1,0,0,0,0|2,0,1]=4 1316 B8R1.11 CCc1occc1O Amb27444323 [0,1,0,0,0,0|1,0,1]=3 1317 B8R1.11 CCc1ocnc1C Amb28186783 [0,1,0,0,0,0|2,0,1]=4 1318 B8R1.11 CCc1oncc1N Amb18203377 [0,1,0,0,0,0|2,0,1]=4 1319 B8R1.11 CCc1oncc1N Amb32652129 [0,1,0,0,0,0|2,0,1]=4 1320 B8R1.11 CCc1sccc1F Amb27631779 [0,1,0,0,0,0|1,1,1]=4 1321 B8R1.11 CCc1sccc1S Amb27193410 [0,1,0,0,0,0|1,1,1]=4 1322 B8R1.11 CN1C=CNC1=S=O Amb27592389 [0,1,0,0,0,0|3,0,0]=4 1323 B8R1.11 CNc1cccn1C Amb25718849 [0,1,0,0,0,0|3,0,0]=4 1324 B8R1.11 COc1occc1C Amb27625304 [0,1,0,0,0,0|2,0,0]=3 1325 B8R1.11 COc1oncc1Br Amb26905882 [0,1,0,0,0,0|3,0,0]=4 1326 B8R1.11 COc1oncc1Cl Amb27665809 [0,1,0,0,0,0|3,0,0]=4 1327 B8R1.11 COc1sccc1Br Amb24082781 [0,1,0,0,0,0|2,1,0]=4 1328 B8R1.11 COc1sccc1C Amb25064766 [0,1,0,0,0,0|2,1,0]=4 1329 B8R1.11 COc1sccc1N Amb19895576 [0,1,0,0,0,0|2,1,0]=4 1330 B8R1.11 CSc1occc1Br Amb27796654 [0,1,0,0,0,0|2,0,0]=3 1331 B8R1.11 CSc1sccc1Br Amb26864440 [0,1,0,0,0,0|2,1,0]=4 1332 B8R1.11 C[C@H]1CCC=C1C=O Amb28251104 [0,1,0,0,0,0|1,0,2]=4 1333 B8R1.11 C\C=C1/C=CCC1=O Amb27861032 [0,1,0,0,0,0|2,0,1]=4 1334 B8R1.11 C\C=C1\C=CCC1=O Amb28052392 [0,1,0,0,0,0|2,0,1]=4 1335 B8R1.11 Cc1ccoc1C#N Amb25352891 [0,1,0,0,0,0|1,0,1]=3 1336 B8R1.11 Cc1ccoc1C=O Amb6572128 [0,1,0,0,0,0|0,0,0]=1 1337 B8R1.11 Cc1ccoc1CBr Amb18183895 [0,1,0,0,0,0|1,0,1]=3 1338 B8R1.11 Cc1ccoc1CCl Amb8860567 [0,1,0,0,0,0|1,0,1]=3 1339 B8R1.11 Cc1ccoc1CN Amb6572131 [0,1,0,0,0,0|1,0,1]=3 1340 B8R1.11 Cc1ccoc1CO Amb6572130 [0,1,0,0,0,0|0,0,2]=3 1341 B8R1.11 Cc1ccoc1CS Amb25969059 [0,1,0,0,0,0|0,1,1]=3 1342 B8R1.11 Cc1ccsc1C#N Amb33528580 [0,1,0,0,0,0|1,1,1]=4 1343 B8R1.11 Cc1ccsc1C=O Amb534988 [0,1,0,0,0,0|0,1,0]=2 1344 B8R1.11 Cc1ccsc1CBr Amb18325320 [0,1,0,0,0,0|1,1,1]=4 1345 B8R1.11 Cc1ccsc1CCl Amb33528081 [0,1,0,0,0,0|1,1,1]=4 1346 B8R1.11 Cc1ccsc1CN Amb1128389 [0,1,0,0,0,0|1,1,1]=4 1347 B8R1.11 Cc1ccsc1CN Amb6892658 [0,1,0,0,0,0|1,1,1]=4 1348 B8R1.11 Cc1ccsc1CO Amb837436 [0,1,0,0,0,0|0,1,2]=4 1349 B8R1.11 Cc1ccsc1CS Amb24526885 [0,1,0,0,0,0|0,2,1]=4 1350 B8R1.11 Cc1ccsc1[Zn]Br Amb22000458 [0,1,0,0,0,0|2,1,0]=4 1351 B8R1.11 Cc1cnoc1C#N Amb33620875 [0,1,0,0,0,0|2,0,1]=4 1352 B8R1.11 Cc1cnoc1C=O Amb8010953 [0,1,0,0,0,0|1,0,0]=2 1353 B8R1.11 Cc1cnoc1CBr Amb25675743 [0,1,0,0,0,0|2,0,1]=4 1354 B8R1.11 Cc1cnoc1CCl Amb30633455 [0,1,0,0,0,0|2,0,1]=4 1355 B8R1.11 Cc1cnoc1CO Amb24467683 [0,1,0,0,0,0|1,0,2]=4 1356 B8R1.11 Cc1cnsc1C=O Amb8010958 [0,1,0,0,0,0|1,1,0]=3 1357 B8R1.11 Cc1cocc1C=O Amb18641606 [0,1,0,0,0,0|2,0,0]=3 1358 B8R1.11 Cc1conc1C=O Amb8010950 [0,1,0,0,0,0|2,0,0]=3 1359 B8R1.11 Cc1cscc1C=O Amb2447064 [0,1,0,0,0,0|2,0,0]=3 1360 B8R1.11 Cc1csnc1C=O Amb8010954 [0,1,0,0,0,0|2,0,0]=3 1361 B8R1.11 Cc1ncoc1C#N Amb17843583 [0,1,0,0,0,0|2,0,1]=4 1362 B8R1.11 Cc1ncoc1C=O Amb8010969 [0,1,0,0,0,0|1,0,0]=2 1363 B8R1.11 Cc1ncoc1CBr Amb22268316 [0,1,0,0,0,0|2,0,1]=4 1364 B8R1.11 Cc1ncoc1CCl Amb17399824 [0,1,0,0,0,0|2,0,1]=4 1365 B8R1.11 Cc1ncoc1CN Amb17399791 [0,1,0,0,0,0|2,0,1]=4 1366 B8R1.11 Cc1ncoc1CN Amb30585114 [0,1,0,0,0,0|2,0,1]=4 1367 B8R1.11 Cc1ncoc1CO Amb5282883 [0,1,0,0,0,0|1,0,2]=4 1368 B8R1.11 Cc1ncoc1CS Amb22268324 [0,1,0,0,0,0|1,1,1]=4 1369 B8R1.11 Cc1ncsc1C=O Amb3319371 [0,1,0,0,0,0|1,1,0]=3 1370 B8R1.11 Cc1nnoc1C=O Amb8010988 [0,1,0,0,0,0|2,0,0]=3 1371 B8R1.11 Cc1nnsc1C=O Amb5282858 [0,1,0,0,0,0|2,1,0]=4 1372 B8R1.11 Cc1nocc1C=O Amb8010951 [0,1,0,0,0,0|3,0,0]=4 1373 B8R1.11 Cc1nonc1C=O Amb8011458 [0,1,0,0,0,0|3,0,0]=4 1374 B8R1.11 Cc1nscc1C=O Amb8010560 [0,1,0,0,0,0|3,0,0]=4 1375 B8R1.11 Cc1occc1C=O Amb2447043 [0,1,0,0,0,0|2,0,0]=3 1376 B8R1.11 Cc1ocnc1C=O Amb8010967 [0,1,0,0,0,0|2,0,0]=3 1377 B8R1.11 Cc1oncc1C=O Amb8010952 [0,1,0,0,0,0|3,0,0]=4 1378 B8R1.11 Cc1onnc1C=O Amb8010989 [0,1,0,0,0,0|3,0,0]=4 1379 B8R1.11 Cc1sccc1C=O Amb10069337 [0,1,0,0,0,0|2,0,0]=3 1380 B8R1.11 Cc1scnc1C=O Amb8010963 [0,1,0,0,0,0|2,0,0]=3 1381 B8R1.11 Cc1sncc1C=O Amb8010956 [0,1,0,0,0,0|3,0,0]=4 1382 B8R1.11 Cc1snnc1C=O Amb8010987 [0,1,0,0,0,0|3,0,0]=4 1383 B8R1.11 ClCc1sccc1Br Amb10610432 [0,1,0,0,0,0|1,1,1]=4 1384 B8R1.11 ClCc1sccc1Cl Amb24620455 [0,1,0,0,0,0|1,1,1]=4 1385 B8R1.11 Cl\C=C1\C=CC=C1Cl Amb25798374 [0,1,0,0,0,0|2,0,0]=3 1386 B8R1.11 Cl\C=C1\CCC=C1Cl Amb27845401 [0,1,0,0,0,0|2,0,1]=4 1387 B8R1.11 Clc1ccsc1CBr Amb27848769 [0,1,0,0,0,0|1,1,1]=4 1388 B8R1.11 Cn1cccc1C#N Amb342676 [0,1,0,0,0,0|2,0,1]=4 1389 B8R1.11 Cn1cccc1C=N Amb27638729 [0,1,0,0,0,0|2,0,0]=3 1390 B8R1.11 Cn1cccc1C=O Amb2723053 [0,1,0,0,0,0|1,0,0]=2 1391 B8R1.11 Cn1cccc1CBr Amb22301108 [0,1,0,0,0,0|2,0,1]=4 1392 B8R1.11 Cn1cccc1CCl Amb22301109 [0,1,0,0,0,0|2,0,1]=4 1393 B8R1.11 Cn1cccc1CI Amb22301110 [0,1,0,0,0,0|2,0,1]=4 1394 B8R1.11 Cn1cccc1CN Amb2723054 [0,1,0,0,0,0|2,0,1]=4 1395 B8R1.11 Cn1cccc1CO Amb837316 [0,1,0,0,0,0|1,0,2]=4 1396 B8R1.11 Cn1cccc1CS Amb22301111 [0,1,0,0,0,0|1,1,1]=4 1397 B8R1.11 Cn1cccc1C[O-] Amb22411415 [0,1,0,0,0,0|1,0,2]=4 1398 B8R1.11 Cn1cccc1C[O-] Amb32411913 [0,1,0,0,0,0|1,0,2]=4 1399 B8R1.11 Cn1ccnc1C=O Amb1107787 [0,1,0,0,0,0|2,0,0]=3 1400 B8R1.11 Cn1ccnc1N=O Amb28456474 [0,1,0,0,0,0|3,0,0]=4 1401 B8R1.11 Cn1cncc1C=N Amb27598562 [0,1,0,0,0,0|3,0,0]=4 1402 B8R1.11 Cn1cncc1C=O Amb2455726 [0,1,0,0,0,0|2,0,0]=3 1403 B8R1.11 Cn1cnnc1C=O Amb8010936 [0,1,0,0,0,0|3,0,0]=4 1404 B8R1.11 Cn1nccc1C=O Amb1946120 [0,1,0,0,0,0|2,0,0]=3 1405 B8R1.11 Cn1ncnc1C=O Amb18124223 [0,1,0,0,0,0|3,0,0]=4 1406 B8R1.11 Cn1nncc1C=O Amb8010939 [0,1,0,0,0,0|3,0,0]=4 1407 B8R1.11 Fc1ccoc1CS Amb26978441 [0,1,0,0,0,0|0,1,1]=3 1408 B8R1.11 Fc1ccsc1CBr Amb28244697 [0,1,0,0,0,0|1,1,1]=4 1409 B8R1.11 N#Cc1cccn1N Amb18203413 [0,1,0,0,0,0|2,0,1]=4 1410 B8R1.11 N#Cc1cccn1N Amb19958421 [0,1,0,0,0,0|2,0,1]=4 1411 B8R1.11 N#Cc1occc1Br Amb26347105 [0,1,0,0,0,0|1,0,1]=3 1412 B8R1.11 N#Cc1sccc1Br Amb2766929 [0,1,0,0,0,0|1,1,1]=4 1413 B8R1.11 N#Cc1sccc1Cl Amb2685809 [0,1,0,0,0,0|1,1,1]=4 1414 B8R1.11 N#Cc1sccc1F Amb27405529 [0,1,0,0,0,0|1,1,1]=4 1415 B8R1.11 N#Cc1sccc1I Amb26019308 [0,1,0,0,0,0|1,1,1]=4 1416 B8R1.11 N#Cc1sccc1N Amb18642210 [0,1,0,0,0,0|1,1,1]=4 1417 B8R1.11 N#Cc1sccc1N Amb22233883 [0,1,0,0,0,0|1,1,1]=4 1418 B8R1.11 N#Cc1sccc1O Amb18642297 [0,1,0,0,0,0|1,1,1]=4 1419 B8R1.11 N=Cc1ccoc1O Amb27624973 [0,1,0,0,0,0|3,0,0]=4 1420 B8R1.11 N=Cc1ncoc1O Amb27246610 [0,1,0,0,0,0|3,0,0]=4 1421 B8R1.11 N=Cc1ncsc1O Amb28435607 [0,1,0,0,0,0|3,0,0]=4 1422 B8R1.11 NCc1occc1Br Amb18191028 [0,1,0,0,0,0|1,0,1]=3 1423 B8R1.11 NCc1occc1I Amb26026907 [0,1,0,0,0,0|1,0,1]=3 1424 B8R1.11 NCc1sccc1Br Amb13951625 [0,1,0,0,0,0|1,1,1]=4 1425 B8R1.11 NCc1sccc1Br Amb18280696 [0,1,0,0,0,0|1,1,1]=4 1426 B8R1.11 NCc1sccc1Cl Amb10069119 [0,1,0,0,0,0|1,1,1]=4 1427 B8R1.11 NCc1sccc1Cl Amb22406102 [0,1,0,0,0,0|1,1,1]=4 1428 B8R1.11 NCc1sccc1I Amb27236255 [0,1,0,0,0,0|1,1,1]=4 1429 B8R1.11 NNc1sccc1Cl Amb28316218 [0,1,0,0,0,0|2,1,0]=4 1430 B8R1.11 N\C=C1\C=CNC1=S Amb27796677 [0,1,0,0,0,0|3,0,0]=4 1431 B8R1.11 N\C=C1\C=CSC1=O Amb27193490 [0,1,0,0,0,0|3,0,0]=4 1432 B8R1.11 N\C=C1\N=COC1=S Amb27843714 [0,1,0,0,0,0|3,0,0]=4 1433 B8R1.11 Nc1ccoc1C=O Amb18203397 [0,1,0,0,0,0|0,0,0]=1 1434 B8R1.11 Nc1ccoc1C=S Amb25790738 [0,1,0,0,0,0|0,1,0]=2 1435 B8R1.11 Nc1ccoc1CS Amb26471056 [0,1,0,0,0,0|0,1,1]=3 1436 B8R1.11 Nc1ccsc1C=O Amb18202433 [0,1,0,0,0,0|0,1,0]=2 1437 B8R1.11 Nc1ccsc1CO Amb10067607 [0,1,0,0,0,0|0,1,2]=4 1438 B8R1.11 Nc1ccsc1CS Amb32788295 [0,1,0,0,0,0|0,2,1]=4 1439 B8R1.11 Nc1cnoc1CF Amb33378685 [0,1,0,0,0,0|2,0,1]=4 1440 B8R1.11 Nc1cocc1C=O Amb18203396 [0,1,0,0,0,0|2,0,0]=3 1441 B8R1.11 Nc1cscc1C=O Amb27256240 [0,1,0,0,0,0|2,0,0]=3 1442 B8R1.11 Nc1occc1C=O Amb18833110 [0,1,0,0,0,0|2,0,0]=3 1443 B8R1.11 Nc1ocnc1C=O Amb28461068 [0,1,0,0,0,0|2,0,0]=3 1444 B8R1.11 Nc1scnc1C=O Amb24527710 [0,1,0,0,0,0|2,0,0]=3 1445 B8R1.11 Nn1cccc1C=O Amb22496148 [0,1,0,0,0,0|1,0,0]=2 1446 B8R1.11 O=C1C=COC1CO Amb27482018 [0,1,0,0,0,0|0,0,3]=4 1447 B8R1.11 O=C1C=CS\C1=C\O Amb27401611 [0,1,0,0,0,0|0,1,1]=3 1448 B8R1.11 O=C1CCO\C1=C\O Amb25929807 [0,1,0,0,0,0|0,0,3]=4 1449 B8R1.11 O=C1OCO\C1=C\Cl Amb28194356 [0,1,0,0,0,0|2,0,1]=4 1450 B8R1.11 O=CC1=C(Cl)CCC1 Amb17593382 [0,1,0,0,0,0|1,0,2]=4 1451 B8R1.11 O=CC1=CC=CC1[Na] Amb24646434 [0,1,0,0,0,0|1,0,0]=2 1452 B8R1.11 O=CC1=NN=CC1Br Amb18191587 [0,1,0,0,0,0|2,0,1]=4 1453 B8R1.11 O=CN1C=CCC1=O Amb27959098 [0,1,0,0,0,0|2,0,1]=4 1454 B8R1.11 O=C[C@H]1CC=C[C@H]1O Amb27237646 [0,1,0,0,0,0|1,0,2]=4 1455 B8R1.11 O=Cc1ccoc1Br Amb6572341 [0,1,0,0,0,0|2,0,0]=3 1456 B8R1.11 O=Cc1ccoc1Cl Amb18202950 [0,1,0,0,0,0|2,0,0]=3 1457 B8R1.11 O=Cc1ccoc1F Amb18833045 [0,1,0,0,0,0|2,0,0]=3 1458 B8R1.11 O=Cc1ccoc1I Amb27977275 [0,1,0,0,0,0|2,0,0]=3 1459 B8R1.11 O=Cc1ccsc1Br Amb2724057 [0,1,0,0,0,0|2,0,0]=3 1460 B8R1.11 O=Cc1ccsc1Cl Amb5720015 [0,1,0,0,0,0|2,0,0]=3 1461 B8R1.11 O=Cc1ccsc1F Amb18203203 [0,1,0,0,0,0|2,0,0]=3 1462 B8R1.11 O=Cc1ccsc1I Amb2611694 [0,1,0,0,0,0|2,0,0]=3 1463 B8R1.11 O=Cc1ccsc1O Amb27776208 [0,1,0,0,0,0|2,0,0]=3 1464 B8R1.11 O=Cc1ccsc1S Amb18201998 [0,1,0,0,0,0|2,0,0]=3 1465 B8R1.11 O=Cc1cnoc1Br Amb18191109 [0,1,0,0,0,0|3,0,0]=4 1466 B8R1.11 O=Cc1cnoc1Cl Amb28368533 [0,1,0,0,0,0|3,0,0]=4 1467 B8R1.11 O=Cc1cocc1Cl Amb18202959 [0,1,0,0,0,0|2,0,0]=3 1468 B8R1.11 O=Cc1cocc1F Amb18833047 [0,1,0,0,0,0|2,0,0]=3 1469 B8R1.11 O=Cc1conc1Br Amb33744976 [0,1,0,0,0,0|3,0,0]=4 1470 B8R1.11 O=Cc1cscc1Br Amb2447130 [0,1,0,0,0,0|2,0,0]=3 1471 B8R1.11 O=Cc1cscc1Cl Amb8439424 [0,1,0,0,0,0|2,0,0]=3 1472 B8R1.11 O=Cc1cscc1F Amb18203205 [0,1,0,0,0,0|2,0,0]=3 1473 B8R1.11 O=Cc1csnc1Br Amb33728859 [0,1,0,0,0,0|3,0,0]=4 1474 B8R1.11 O=Cc1ncoc1Br Amb27858826 [0,1,0,0,0,0|2,0,0]=3 1475 B8R1.11 O=Cc1ncoc1O Amb27421558 [0,1,0,0,0,0|2,0,0]=3 1476 B8R1.11 O=Cc1ncsc1Br Amb23402177 [0,1,0,0,0,0|2,0,0]=3 1477 B8R1.11 O=Cc1ncsc1Cl Amb23402182 [0,1,0,0,0,0|2,0,0]=3 1478 B8R1.11 O=Cc1nnsc1Br Amb27847257 [0,1,0,0,0,0|3,0,0]=4 1479 B8R1.11 O=Cc1nnsc1Cl Amb10067983 [0,1,0,0,0,0|3,0,0]=4 1480 B8R1.11 O=Cc1nocc1Cl Amb18199353 [0,1,0,0,0,0|2,0,0]=3 1481 B8R1.11 O=Cc1nscc1Br Amb24682820 [0,1,0,0,0,0|2,0,0]=3 1482 B8R1.11 O=Cc1occc1Br Amb2447448 [0,1,0,0,0,0|0,0,0]=1 1483 B8R1.11 O=Cc1occc1Cl Amb18202965 [0,1,0,0,0,0|0,0,0]=1 1484 B8R1.11 O=Cc1occc1F Amb18203365 [0,1,0,0,0,0|0,0,0]=1 1485 B8R1.11 O=Cc1occc1I Amb25089234 [0,1,0,0,0,0|0,0,0]=1 1486 B8R1.11 O=Cc1occc1O Amb28186907 [0,1,0,0,0,0|0,0,0]=1 1487 B8R1.11 O=Cc1oncc1Br Amb18191116 [0,1,0,0,0,0|1,0,0]=2 1488 B8R1.11 O=Cc1oncc1Cl Amb18199347 [0,1,0,0,0,0|1,0,0]=2 1489 B8R1.11 O=Cc1sccc1Br Amb2725736 [0,1,0,0,0,0|0,1,0]=2 1490 B8R1.11 O=Cc1sccc1Cl Amb2725857 [0,1,0,0,0,0|0,1,0]=2 1491 B8R1.11 O=Cc1sccc1F Amb18832537 [0,1,0,0,0,0|0,1,0]=2 1492 B8R1.11 O=Cc1sccc1I Amb2611693 [0,1,0,0,0,0|0,1,0]=2 1493 B8R1.11 O=Cc1sccc1O Amb5719791 [0,1,0,0,0,0|0,1,0]=2 1494 B8R1.11 O=Cc1scnc1Br Amb22304735 [0,1,0,0,0,0|1,1,0]=3 1495 B8R1.11 O=Cc1scnc1Cl Amb6479172 [0,1,0,0,0,0|1,1,0]=3 1496 B8R1.11 O=Cc1sncc1Br Amb25350452 [0,1,0,0,0,0|1,1,0]=3 1497 B8R1.11 O=Cc1sncc1Cl Amb27985262 [0,1,0,0,0,0|1,1,0]=3 1498 B8R1.11 O=Cn1nncc1Cl Amb27658314 [0,1,0,0,0,0|3,0,0]=4 1499 B8R1.11 O=Nc1occc1O Amb27202170 [0,1,0,0,0,0|1,0,0]=2 1500 B8R1.11 OCc1occc1Br Amb22498871 [0,1,0,0,0,0|0,0,2]=3 1501 B8R1.11 OCc1oncc1Br Amb27166367 [0,1,0,0,0,0|1,0,2]=4 1502 B8R1.11 OCc1sccc1Br Amb18330307 [0,1,0,0,0,0|0,1,2]=4 1503 B8R1.11 OCc1sccc1Cl Amb21961457 [0,1,0,0,0,0|0,1,2]=4 1504 B8R1.11 OCc1sccc1F Amb22490780 [0,1,0,0,0,0|0,1,2]=4 1505 B8R1.11 OCc1sccc1I Amb25366864 [0,1,0,0,0,0|0,1,2]=4 1506 B8R1.11 SCc1occc1Br Amb24717193 [0,1,0,0,0,0|0,1,1]=3 1507 B8R1.11 SCc1occc1Cl Amb27273268 [0,1,0,0,0,0|0,1,1]=3 1508 B8R1.11 SCc1sccc1Br Amb32788468 [0,1,0,0,0,0|0,2,1]=4 1509 B8R1.11 SCc1sccc1Cl Amb32788228 [0,1,0,0,0,0|0,2,1]=4 1510 B8R1.52 NC1(C=O)NC=CS1 Amb27491750 [0,1,0,0,0,0|1,1,1]=4 1511 B6R0.1 C=C(C=O)CCF Amb28253937 [0,0,1,0,0,0|2,0,1]=4 1512 B6R0.1 C=C(C=O)COC Amb28066424 [0,0,1,0,0,0|2,0,1]=4 1513 B6R0.1 C=C(C=O)SCC Amb28050273 [0,0,1,0,0,0|0,1,2]=4 1514 B6R0.1 C=C=CC(=O)C=C Amb28200674 [0,0,1,0,0,0|1,0,2]=4 1515 B6R0.1 C=C=CC(O)C=C Amb28074635 [0,0,1,0,0,0|1,0,2]=4 1516 B6R0.1 C=CC(=O)\C=C\Cl Amb27233658 [0,0,1,0,0,0|2,0,1]=4 1517 B6R0.1 C=CCC(=C)C=O Amb18120415 [0,0,1,0,0,0|1,0,0]=2 1518 B6R0.1 C=CCC(=O)C=C Amb27164626 [0,0,1,0,0,0|1,0,2]=4 1519 B6R0.1 C=CCC(C)C=O Amb4358618 [0,0,1,0,0,0|1,0,2]=4 1520 B6R0.1 C=CCC(O)C=C Amb8513481 [0,0,1,0,0,0|1,0,2]=4 1521 B6R0.1 C=CC[C@@H](O)C=C Amb27636288 [0,0,1,0,0,0|1,0,2]=4 1522 B6R0.1 C=CC[C@H](C)C=O Amb28050198 [0,0,1,0,0,0|1,0,2]=4 1523 B6R0.1 C=CC[C@H](I)C=O Amb28042873 [0,0,1,0,0,0|1,0,2]=4 1524 B6R0.1 C=CC\C(C)=C\C Amb24479822 [0,0,1,0,0,0|2,0,1]=4 1525 B6R0.1 C=CNC(=O)C=C Amb27848738 [0,0,1,0,0,0|2,0,1]=4 1526 B6R0.1 C=COC(=O)C=C Amb22231745 [0,0,1,0,0,0|2,0,0]=3 1527 B6R0.1 C=COC(=O)CBr Amb22732072 [0,0,1,0,0,0|2,0,1]=4 1528 B6R0.1 C=COC(=O)CC Amb4018556 [0,0,1,0,0,0|2,0,1]=4 1529 B6R0.1 C=COC(=O)CI Amb17934194 [0,0,1,0,0,0|2,0,1]=4 1530 B6R0.1 C=C\C(Br)=C/C=O Amb28052705 [0,0,1,0,0,0|3,0,0]=4 1531 B6R0.1 C=C\C(C)=C/C=O Amb18638879 [0,0,1,0,0,0|3,0,0]=4 1532 B6R0.1 C=C\C=C(/C)CBr Amb27634848 [0,0,1,0,0,0|2,0,1]=4 1533 B6R0.1 C=C\C=C(/C)CO Amb17843900 [0,0,1,0,0,0|1,0,2]=4 1534 B6R0.1 C=C\C=C(/Cl)C=O Amb27797386 [0,0,1,0,0,0|1,0,0]=2 1535 B6R0.1 C=C\C=C(\Br)C=O Amb18126250 [0,0,1,0,0,0|1,0,0]=2 1536 B6R0.1 C=C\C=C(\F)CCl Amb27236794 [0,0,1,0,0,0|2,0,1]=4 1537 B6R0.1 CC(=C=CBr)C=O Amb27484005 [0,0,1,0,0,0|2,0,1]=4 1538 B6R0.1 CCOC(=O)C=O Amb8394919 [0,0,1,0,0,0|1,0,2]=4 1539 B6R0.1 CC\C=C(/C)C=O Amb3940425 [0,0,1,0,0,0|1,0,2]=4 1540 B6R0.1 CC\C=C(/Cl)C=O Amb28050393 [0,0,1,0,0,0|1,0,2]=4 1541 B6R0.1 CC\C=C(/O)C=O Amb27849683 [0,0,1,0,0,0|0,0,2]=3 1542 B6R0.1 CC\C=C(\O)C=O Amb27195226 [0,0,1,0,0,0|0,0,2]=3 1543 B6R0.1 CO\C=C(/Br)C=O Amb28198038 [0,0,1,0,0,0|2,0,1]=4 1544 B6R0.1 CO\C=C(/F)C=O Amb27831789 [0,0,1,0,0,0|2,0,1]=4 1545 B6R0.1 CO\C=C(/O)C=O Amb27797385 [0,0,1,0,0,0|1,0,1]=3 1546 B6R0.1 CO\C=C(\F)C=O Amb27875481 [0,0,1,0,0,0|2,0,1]=4 1547 B6R0.1 C\C(C=O)=C/C=O Amb27597073 [0,0,1,0,0,0|2,0,0]=3 1548 B6R0.1 C\C(C=O)=C/CCl Amb18122638 [0,0,1,0,0,0|2,0,1]=4 1549 B6R0.1 C\C=C/C(Br)=C/Cl Amb27396622 [0,0,1,0,0,0|2,0,1]=4 1550 B6R0.1 C\C=C/C(Cl)=C\Br Amb27407128 [0,0,1,0,0,0|2,0,1]=4 1551 B6R0.1 C\C=C\C(=O)C=O Amb27838207 [0,0,1,0,0,0|0,0,2]=3 1552 B6R0.1 C\C=C\C(Br)=C\Cl Amb28248126 [0,0,1,0,0,0|2,0,1]=4 1553 B6R0.1 C\C=C\C(C)=C\Cl Amb27640596 [0,0,1,0,0,0|2,0,1]=4 1554 B6R0.1 N#C\C=C(/Br)C=O Amb27789872 [0,0,1,0,0,0|2,0,1]=4 1555 B6R0.1 O=CCC(O)C=O Amb28071061 [0,0,1,0,0,0|1,0,2]=4 1556 B6R0.1 O=C\C(Cl)=C/CCl Amb18124535 [0,0,1,0,0,0|2,0,1]=4 1557 B6R0.1 O=C\C(Cl)=C\CCl Amb28128300 [0,0,1,0,0,0|2,0,1]=4 1558 B6R0.1 O=C\C=C(/Br)C=O Amb27169466 [0,0,1,0,0,0|2,0,0]=3 1559 B6R0.6 C=C=CCCC=O Amb28208489 [0,0,1,0,0,0|1,0,2]=4 1560 B6R0.6 C=CCC#CC=O Amb28388610 [0,0,1,0,0,0|1,0,2]=4 1561 B6R0.6 C=CCCCC=O Amb13883672 [0,0,1,0,0,0|1,0,2]=4 1562 B6R0.6 C=CCC\C=C\C Amb22734684 [0,0,1,0,0,0|2,0,1]=4 1563 B6R0.6 C=CCOCC=C Amb8515934 [0,0,1,0,0,0|1,0,2]=4 1564 B6R0.6 C=CCOCC=O Amb27402231 [0,0,1,0,0,0|0,0,2]=3 1565 B6R0.6 C=CCSCC=O Amb18641509 [0,0,1,0,0,0|0,1,2]=4 1566 B6R0.6 C=CS\C=C\CO Amb27219812 [0,0,1,0,0,0|2,0,1]=4 1567 B6R0.6 C=C\C=C\C=C\C Amb27627431 [0,0,1,0,0,0|2,0,0]=3 1568 B6R0.6 C=C\C=C\C=C\Cl Amb27656821 [0,0,1,0,0,0|2,0,0]=3 1569 B6R0.6 C=C\C=C\CCO Amb34916666 [0,0,1,0,0,0|1,0,2]=4 1570 B6R0.6 CC#C\C=C\C=O Amb28050254 [0,0,1,0,0,0|1,0,2]=4 1571 B6R0.6 CCC=C=CC=O Amb27237589 [0,0,1,0,0,0|1,0,2]=4 1572 B6R0.6 CCC\C=C/C=O Amb25885814 [0,0,1,0,0,0|1,0,2]=4 1573 B6R0.6 CCC\C=C\C=O Amb3940431 [0,0,1,0,0,0|1,0,2]=4 1574 B6R0.6 CCN\C=C/C=O Amb27793118 [0,0,1,0,0,0|2,0,1]=4 1575 B6R0.6 CCO\C=C/C=O Amb27423444 [0,0,1,0,0,0|2,0,1]=4 1576 B6R0.6 CCO\C=C\C=O Amb18639560 [0,0,1,0,0,0|2,0,1]=4 1577 B6R0.6 CC\C=C/CC=O Amb18639157 [0,0,1,0,0,0|1,0,2]=4 1578 B6R0.6 CC\C=C\C=C/Br Amb27392254 [0,0,1,0,0,0|2,0,1]=4 1579 B6R0.6 CC\C=C\C=C\Br Amb27233492 [0,0,1,0,0,0|2,0,1]=4 1580 B6R0.6 COC\C=C\C=O Amb33473884 [0,0,1,0,0,0|2,0,1]=4 1581 B6R0.6 CO\C=C\C=C/Cl Amb27863084 [0,0,1,0,0,0|3,0,0]=4 1582 B6R0.6 CSC\C=C\C=O Amb33271737 [0,0,1,0,0,0|2,0,1]=4 1583 B6R0.6 C\C=C/C#CC=O Amb28050135 [0,0,1,0,0,0|1,0,2]=4 1584 B6R0.6 C\C=C/CCC=O Amb28202620 [0,0,1,0,0,0|1,0,2]=4 1585 B6R0.6 C\C=C\C=C\C#N Amb2720975 [0,0,1,0,0,0|2,0,1]=4 1586 B6R0.6 C\C=C\C=C\C=O Amb33986154 [0,0,1,0,0,0|1,0,0]=2 1587 B6R0.6 C\C=C\C=C\CBr Amb27433479 [0,0,1,0,0,0|2,0,1]=4 1588 B6R0.6 C\C=C\C=C\CCl Amb32652238 [0,0,1,0,0,0|2,0,1]=4 1589 B6R0.6 C\C=C\C=C\CN Amb18639062 [0,0,1,0,0,0|2,0,1]=4 1590 B6R0.6 C\C=C\C=C\CN Amb24117256 [0,0,1,0,0,0|2,0,1]=4 1591 B6R0.6 C\C=C\C=C\CO Amb27848287 [0,0,1,0,0,0|1,0,1]=3 1592 B6R0.6 C\C=C\CCC=O Amb17593074 [0,0,1,0,0,0|1,0,2]=4 1593 B6R0.6 C\C=C\S\C=C\C Amb27210562 [0,0,1,0,0,0|1,1,1]=4 1594 B6R0.6 Cl\C=C\S\C=C\Cl Amb28343062 [0,0,1,0,0,0|2,1,0]=4 1595 B6R0.6 N#CC\C=C\C=O Amb25073805 [0,0,1,0,0,0|1,0,2]=4 1596 B6R0.6 N#CS\C=C\C=O Amb27793341 [0,0,1,0,0,0|2,0,1]=4 1597 B6R0.6 N\C=C/C=C/C=O Amb27838284 [0,0,1,0,0,0|1,0,0]=2 1598 B6R0.6 N\C=C\C=C\C=O Amb27873733 [0,0,1,0,0,0|1,0,0]=2 1599 B6R0.6 O=C=C\C=C/C=O Amb28128301 [0,0,1,0,0,0|0,0,2]=3 1600 B6R0.6 O=CCC\C=C/Br Amb27838206 [0,0,1,0,0,0|1,0,2]=4 1601 B6R0.6 O=CCC\C=C\Cl Amb27955198 [0,0,1,0,0,0|1,0,2]=4 1602 B6R0.6 O=C\C=C/C=C\S Amb27166146 [0,0,1,0,0,0|0,1,0]=2 1603 B6R0.6 O=C\C=C/CC=O Amb28050289 [0,0,1,0,0,0|0,0,2]=3 1604 B6R0.6 O=C\C=C/CCO Amb27235316 [0,0,1,0,0,0|0,0,2]=3 1605 B6R0.6 O=C\C=C\C=C\Br Amb16233577 [0,0,1,0,0,0|1,0,0]=2 1606 B6R0.6 O=C\C=C\C=C\Cl Amb27760447 [0,0,1,0,0,0|1,0,0]=2 1607 B6R0.6 O=C\C=C\C=C\O Amb27646525 [0,0,1,0,0,0|0,0,0]=1 1608 B6R0.6 O=C\C=C\C=C\S Amb28051864 [0,0,1,0,0,0|0,1,0]=2 1609 B6R0.6 O=C\C=C\CC=O Amb17593064 [0,0,1,0,0,0|0,0,2]=3 1610 B6R0.6 O=C\C=C\CCF Amb33429802 [0,0,1,0,0,0|1,0,2]=4 1611 B6R0.6 OC\C=C\C=C\Br Amb27750080 [0,0,1,0,0,0|1,0,1]=3 1612 B6R0.6 OC\C=C\C=C\Cl Amb27858902 [0,0,1,0,0,0|1,0,1]=3 1613 B6R0.9 C=CC(C=O)OC Amb27195025 [0,0,1,0,0,0|0,0,2]=3 1614 B6R0.9 C=CP(C=C)C=C Amb17621146 [0,0,1,0,0,0|3,0,0]=4 1615 B6R0.9 C=C\C(=C/Br)CC Amb27848004 [0,0,1,0,0,0|2,0,1]=4 1616 B6R0.9 C=C\C(=C/Cl)SC Amb27657756 [0,0,1,0,0,0|1,1,1]=4 1617 B6R0.9 C=C\C(C=O)=C/C Amb27393269 [0,0,1,0,0,0|1,0,1]=3 1618 B6R0.9 CC\C(C=O)=C\Cl Amb27400355 [0,0,1,0,0,0|2,0,1]=4 1619 B6R0.9 CC\C(C=O)=C\N Amb28248353 [0,0,1,0,0,0|2,0,1]=4 1620 B6R0.9 COC(C=O)C=O Amb24622474 [0,0,1,0,0,0|1,0,2]=4 1621 B6R0.9 CO\C(C=O)=C/N Amb28050517 [0,0,1,0,0,0|1,0,1]=3 1622 B6R0.9 CO\C(C=O)=C\Cl Amb27165654 [0,0,1,0,0,0|1,0,1]=3 1623 B6R0.9 C\C=C(/C=O)CC Amb27838269 [0,0,1,0,0,0|1,0,2]=4 1624 B6R0.9 C\C=C(\C=O)CC Amb10606406 [0,0,1,0,0,0|1,0,2]=4 1625 B6R0.9 C\C=C(\C=O)CCl Amb27424657 [0,0,1,0,0,0|2,0,1]=4 1626 B6R0.9 C\C=C(\C=O)CO Amb28388682 [0,0,1,0,0,0|2,0,1]=4 1627 B6R0.9 O=CC(C=O)=CO Amb27194422 [0,0,1,0,0,0|3,0,0]=4 1628 B6R0.9 O=CC(C=O)=C[O-] Amb33756694 [0,0,1,0,0,0|3,0,0]=4 1629 B8R2.11 O=C1c2ccsc21 Amb27802559 [0,0,0,1,0,0|0,1,0]=2 1630 B8R1.2 BrCC1=CC=CC#C1 Amb27477926 [0,0,0,0,0,1|2,0,1]=4 1631 B8R1.2 BrCc1ccccc1 Amb3939707 [0,0,0,0,0,1|2,0,1]=4 1632 B8R1.2 BrCc1ccccn1 Amb3939990 [0,0,0,0,0,1|2,0,1]=4 1633 B8R1.2 BrCc1ccccn1 Amb8393294 [0,0,0,0,0,1|2,0,1]=4 1634 B8R1.2 BrCc1cccnc1 Amb3939989 [0,0,0,0,0,1|2,0,1]=4 1635 B8R1.2 BrCc1cccnc1 Amb9826052 [0,0,0,0,0,1|2,0,1]=4 1636 B8R1.2 BrCc1cccnn1 Amb10070423 [0,0,0,0,0,1|2,0,1]=4 1637 B8R1.2 BrCc1cccnn1 Amb22234747 [0,0,0,0,0,1|2,0,1]=4 1638 B8R1.2 BrCc1ccncc1 Amb3939991 [0,0,0,0,0,1|2,0,1]=4 1639 B8R1.2 BrCc1ccncc1 Amb9826062 [0,0,0,0,0,1|2,0,1]=4 1640 B8R1.2 BrCc1ccncn1 Amb22235520 [0,0,0,0,0,1|2,0,1]=4 1641 B8R1.2 BrCc1cnccn1 Amb16185761 [0,0,0,0,0,1|2,0,1]=4 1642 B8R1.2 BrCc1cnccn1 Amb22498353 [0,0,0,0,0,1|2,0,1]=4 1643 B8R1.2 BrCc1ncccn1 Amb26456265 [0,0,0,0,0,1|2,0,1]=4 1644 B8R1.2 Br[Mg]c1ccccn1 Amb22000542 [0,0,0,0,0,1|3,0,0]=4 1645 B8R1.2 Br[Mg]c1cccnc1 Amb28989773 [0,0,0,0,0,1|3,0,0]=4 1646 B8R1.2 Br[Se]c1ccccc1 Amb8514629 [0,0,0,0,0,1|3,0,0]=4 1647 B8R1.2 C#Cc1ccccc1 Amb2793084 [0,0,0,0,0,1|2,0,1]=4 1648 B8R1.2 C#Cc1ccccn1 Amb2720532 [0,0,0,0,0,1|2,0,1]=4 1649 B8R1.2 C#Cc1ccccn1 Amb32664778 [0,0,0,0,0,1|2,0,1]=4 1650 B8R1.2 C#Cc1cccnc1 Amb10067163 [0,0,0,0,0,1|2,0,1]=4 1651 B8R1.2 C#Cc1cccnn1 Amb23439062 [0,0,0,0,0,1|2,0,1]=4 1652 B8R1.2 C#Cc1ccncc1 Amb13891877 [0,0,0,0,0,1|2,0,1]=4 1653 B8R1.2 C#Cc1ccncc1 Amb33541704 [0,0,0,0,0,1|2,0,1]=4 1654 B8R1.2 C#Cc1ccncn1 Amb33547137 [0,0,0,0,0,1|2,0,1]=4 1655 B8R1.2 C#Cc1cnccn1 Amb19895048 [0,0,0,0,0,1|2,0,1]=4 1656 B8R1.2 C#Cc1ncccn1 Amb19957825 [0,0,0,0,0,1|2,0,1]=4 1657 B8R1.2 C=Cc1ccccc1 Amb6608811 [0,0,0,0,0,1|2,0,0]=3 1658 B8R1.2 C=Cc1ccccn1 Amb6600549 [0,0,0,0,0,1|2,0,0]=3 1659 B8R1.2 C=Cc1cccnc1 Amb33544464 [0,0,0,0,0,1|2,0,0]=3 1660 B8R1.2 C=Cc1cccnn1 Amb25026421 [0,0,0,0,0,1|2,0,0]=3 1661 B8R1.2 C=Cc1ccncc1 Amb3940417 [0,0,0,0,0,1|2,0,0]=3 1662 B8R1.2 C=Cc1ccncn1 Amb24056360 [0,0,0,0,0,1|2,0,0]=3 1663 B8R1.2 C=Cc1cnccn1 Amb2695475 [0,0,0,0,0,1|2,0,0]=3 1664 B8R1.2 C=Cc1cncnc1 Amb24056355 [0,0,0,0,0,1|3,0,0]=4 1665 B8R1.2 C=Cc1ncccn1 Amb23411991 [0,0,0,0,0,1|2,0,0]=3 1666 B8R1.2 C=Nc1ccccc1 Amb24605672 [0,0,0,0,0,1|3,0,0]=4 1667 B8R1.2 C=Nc1ccccn1 Amb26956421 [0,0,0,0,0,1|3,0,0]=4 1668 B8R1.2 CCC1=CC=CNC1 Amb27643536 [0,0,0,0,0,1|2,0,1]=4 1669 B8R1.2 CCc1ccccc1 Amb2447474 [0,0,0,0,0,1|2,0,1]=4 1670 B8R1.2 CCc1ccccn1 Amb6608978 [0,0,0,0,0,1|2,0,1]=4 1671 B8R1.2 CCc1cccnc1 Amb4037096 [0,0,0,0,0,1|2,0,1]=4 1672 B8R1.2 CCc1cccnn1 Amb28290156 [0,0,0,0,0,1|2,0,1]=4 1673 B8R1.2 CCc1ccncc1 Amb8513449 [0,0,0,0,0,1|2,0,1]=4 1674 B8R1.2 CCc1ccncn1 Amb20242304 [0,0,0,0,0,1|2,0,1]=4 1675 B8R1.2 CCc1cnccn1 Amb6374282 [0,0,0,0,0,1|2,0,1]=4 1676 B8R1.2 CCc1ncccn1 Amb33544267 [0,0,0,0,0,1|2,0,1]=4 1677 B8R1.2 CNc1ccccc1 Amb2721038 [0,0,0,0,0,1|3,0,0]=4 1678 B8R1.2 CNc1ccccc1 Amb4037054 [0,0,0,0,0,1|3,0,0]=4 1679 B8R1.2 CNc1ccccn1 Amb3429849 [0,0,0,0,0,1|3,0,0]=4 1680 B8R1.2 CNc1cccnc1 Amb8396762 [0,0,0,0,0,1|3,0,0]=4 1681 B8R1.2 CNc1cccnn1 Amb18947507 [0,0,0,0,0,1|3,0,0]=4 1682 B8R1.2 CNc1ccncc1 Amb2610661 [0,0,0,0,0,1|3,0,0]=4 1683 B8R1.2 CNc1ccncn1 Amb18944730 [0,0,0,0,0,1|3,0,0]=4 1684 B8R1.2 CNc1cnccn1 Amb1102655 [0,0,0,0,0,1|3,0,0]=4 1685 B8R1.2 CNc1ncccn1 Amb2609521 [0,0,0,0,0,1|3,0,0]=4 1686 B8R1.2 COC1=CCC=CC1 Amb10842162 [0,0,0,0,0,1|3,0,0]=4 1687 B8R1.2 COc1ccccc1 Amb2842269 [0,0,0,0,0,1|3,0,0]=4 1688 B8R1.2 COc1ccccn1 Amb4037280 [0,0,0,0,0,1|3,0,0]=4 1689 B8R1.2 COc1cccnc1 Amb8517634 [0,0,0,0,0,1|3,0,0]=4 1690 B8R1.2 COc1cccnn1 Amb5751228 [0,0,0,0,0,1|3,0,0]=4 1691 B8R1.2 COc1ccncc1 Amb2609546 [0,0,0,0,0,1|3,0,0]=4 1692 B8R1.2 COc1ccncc1 Amb28991347 [0,0,0,0,0,1|3,0,0]=4 1693 B8R1.2 COc1ccncn1 Amb15692928 [0,0,0,0,0,1|3,0,0]=4 1694 B8R1.2 COc1cnccn1 Amb2689275 [0,0,0,0,0,1|3,0,0]=4 1695 B8R1.2 COc1ncccn1 Amb2609513 [0,0,0,0,0,1|3,0,0]=4 1696 B8R1.2 CPc1ccccc1 Amb25341327 [0,0,0,0,0,1|3,0,0]=4 1697 B8R1.2 CSC1=CC=CNC1 Amb27205077 [0,0,0,0,0,1|3,0,0]=4 1698 B8R1.2 CSc1ccccc1 Amb2690593 [0,0,0,0,0,1|3,0,0]=4 1699 B8R1.2 CSc1ccccn1 Amb8392843 [0,0,0,0,0,1|3,0,0]=4 1700 B8R1.2 CSc1cccnc1 Amb24087396 [0,0,0,0,0,1|3,0,0]=4 1701 B8R1.2 CSc1ccncc1 Amb24103013 [0,0,0,0,0,1|3,0,0]=4 1702 B8R1.2 CSc1ccncn1 Amb27958790 [0,0,0,0,0,1|3,0,0]=4 1703 B8R1.2 CSc1cnccn1 Amb2689740 [0,0,0,0,0,1|3,0,0]=4 1704 B8R1.2 CSc1ncccn1 Amb22295856 [0,0,0,0,0,1|3,0,0]=4 1705 B8R1.2 CSc1ncccn1 Amb2455862 [0,0,0,0,0,1|3,0,0]=4 1706 B8R1.2 ClCc1cc[nH+]cc1 Amb4258486 [0,0,0,0,0,1|2,0,1]=4 1707 B8R1.2 ClCc1ccccc1 Amb2792911 [0,0,0,0,0,1|2,0,1]=4 1708 B8R1.2 ClCc1ccccn1 Amb22489454 [0,0,0,0,0,1|2,0,1]=4 1709 B8R1.2 ClCc1ccccn1 Amb534985 [0,0,0,0,0,1|2,0,1]=4 1710 B8R1.2 ClCc1ccccn1 Amb6296082 [0,0,0,0,0,1|2,0,1]=4 1711 B8R1.2 ClCc1cccnc1 Amb2725600 [0,0,0,0,0,1|2,0,1]=4 1712 B8R1.2 ClCc1cccnc1 Amb534994 [0,0,0,0,0,1|2,0,1]=4 1713 B8R1.2 ClCc1cccnn1 Amb21960122 [0,0,0,0,0,1|2,0,1]=4 1714 B8R1.2 ClCc1cccnn1 Amb22000870 [0,0,0,0,0,1|2,0,1]=4 1715 B8R1.2 ClCc1ccncc1 Amb2715054 [0,0,0,0,0,1|2,0,1]=4 1716 B8R1.2 ClCc1ccncn1 Amb21864735 [0,0,0,0,0,1|2,0,1]=4 1717 B8R1.2 ClCc1ccncn1 Amb22491514 [0,0,0,0,0,1|2,0,1]=4 1718 B8R1.2 ClCc1cnccn1 Amb15741173 [0,0,0,0,0,1|2,0,1]=4 1719 B8R1.2 ClCc1cnccn1 Amb8860572 [0,0,0,0,0,1|2,0,1]=4 1720 B8R1.2 ClCc1ncccn1 Amb5754387 [0,0,0,0,0,1|2,0,1]=4 1721 B8R1.2 ClCc1ncccn1 Amb7101515 [0,0,0,0,0,1|2,0,1]=4 1722 B8R1.2 Cl[Se]c1ccccc1 Amb8513798 [0,0,0,0,0,1|3,0,0]=4 1723 B8R1.2 Cl[SiH2]c1ccccc1 Amb22351128 [0,0,0,0,0,1|2,1,0]=4 1724 B8R1.2 FCc1ccccc1 Amb10838335 [0,0,0,0,0,1|2,0,1]=4 1725 B8R1.2 FCc1cccnc1 Amb25259171 [0,0,0,0,0,1|2,0,1]=4 1726 B8R1.2 FCc1ccncc1 Amb22372287 [0,0,0,0,0,1|2,0,1]=4 1727 B8R1.2 ICc1ccccc1 Amb4006861 [0,0,0,0,0,1|2,0,1]=4 1728 B8R1.2 ICc1ccccn1 Amb26963503 [0,0,0,0,0,1|2,0,1]=4 1729 B8R1.2 ICc1cccnc1 Amb10602162 [0,0,0,0,0,1|2,0,1]=4 1730 B8R1.2 ICc1cccnc1 Amb33527054 [0,0,0,0,0,1|2,0,1]=4 1731 B8R1.2 ICc1ccncc1 Amb33552994 [0,0,0,0,0,1|2,0,1]=4 1732 B8R1.2 ICc1ncccn1 Amb28186407 [0,0,0,0,0,1|2,0,1]=4 1733 B8R1.2 I[Se]c1ccccc1 Amb10601593 [0,0,0,0,0,1|3,0,0]=4 1734 B8R1.2 N#CC1=CC=CNC1 Amb27166581 [0,0,0,0,0,1|2,0,1]=4 1735 B8R1.2 N#Cc1ccccc1 Amb21864642 [0,0,0,0,0,1|2,0,1]=4 1736 B8R1.2 N#Cc1ccccc1 Amb2793082 [0,0,0,0,0,1|2,0,1]=4 1737 B8R1.2 N#Cc1ccccn1 Amb2721574 [0,0,0,0,0,1|2,0,1]=4 1738 B8R1.2 N#Cc1cccnc1 Amb1792577 [0,0,0,0,0,1|2,0,1]=4 1739 B8R1.2 N#Cc1cccnn1 Amb13884089 [0,0,0,0,0,1|2,0,1]=4 1740 B8R1.2 N#Cc1ccncc1 Amb2609937 [0,0,0,0,0,1|2,0,1]=4 1741 B8R1.2 N#Cc1ccncn1 Amb13884090 [0,0,0,0,0,1|2,0,1]=4 1742 B8R1.2 N#Cc1cnccn1 Amb2686609 [0,0,0,0,0,1|2,0,1]=4 1743 B8R1.2 N#Cc1ncccn1 Amb2686610 [0,0,0,0,0,1|2,0,1]=4 1744 B8R1.2 N#[N+]c1ccccc1 Amb10564805 [0,0,0,0,0,1|3,0,0]=4 1745 B8R1.2 N=Nc1cnccn1 Amb27849107 [0,0,0,0,0,1|3,0,0]=4 1746 B8R1.2 NCC1=COC=CO1 Amb28241554 [0,0,0,0,0,1|1,0,1]=3 1747 B8R1.2 NCc1ccccc1 Amb19958612 [0,0,0,0,0,1|2,0,1]=4 1748 B8R1.2 NCc1ccccc1 Amb2725314 [0,0,0,0,0,1|2,0,1]=4 1749 B8R1.2 NCc1ccccc1 Amb2792834 [0,0,0,0,0,1|2,0,1]=4 1750 B8R1.2 NCc1ccccc1 Amb6383294 [0,0,0,0,0,1|2,0,1]=4 1751 B8R1.2 NCc1ccccn1 Amb20620292 [0,0,0,0,0,1|2,0,1]=4 1752 B8R1.2 NCc1ccccn1 Amb2684477 [0,0,0,0,0,1|2,0,1]=4 1753 B8R1.2 NCc1cccnc1 Amb1481403 [0,0,0,0,0,1|2,0,1]=4 1754 B8R1.2 NCc1cccnc1 Amb2189172 [0,0,0,0,0,1|2,0,1]=4 1755 B8R1.2 NCc1cccnc1 Amb6383332 [0,0,0,0,0,1|2,0,1]=4 1756 B8R1.2 NCc1cccnn1 Amb24183396 [0,0,0,0,0,1|2,0,1]=4 1757 B8R1.2 NCc1cccnn1 Amb8009405 [0,0,0,0,0,1|2,0,1]=4 1758 B8R1.2 NCc1ccncc1 Amb1156526 [0,0,0,0,0,1|2,0,1]=4 1759 B8R1.2 NCc1ccncc1 Amb20622010 [0,0,0,0,0,1|2,0,1]=4 1760 B8R1.2 NCc1ccncn1 Amb3941350 [0,0,0,0,0,1|2,0,1]=4 1761 B8R1.2 NCc1ccncn1 Amb7101495 [0,0,0,0,0,1|2,0,1]=4 1762 B8R1.2 NCc1ccncn1 Amb8503484 [0,0,0,0,0,1|2,0,1]=4 1763 B8R1.2 NCc1cnccn1 Amb10067734 [0,0,0,0,0,1|2,0,1]=4 1764 B8R1.2 NCc1cnccn1 Amb10068908 [0,0,0,0,0,1|2,0,1]=4 1765 B8R1.2 NCc1cnccn1 Amb33543243 [0,0,0,0,0,1|2,0,1]=4 1766 B8R1.2 NCc1cnccn1 Amb8629877 [0,0,0,0,0,1|2,0,1]=4 1767 B8R1.2 NCc1ncccn1 Amb10068909 [0,0,0,0,0,1|2,0,1]=4 1768 B8R1.2 NCc1ncccn1 Amb1139642 [0,0,0,0,0,1|2,0,1]=4 1769 B8R1.2 NCc1ncccn1 Amb33533773 [0,0,0,0,0,1|2,0,1]=4 1770 B8R1.2 NCc1ncccn1 Amb33549601 [0,0,0,0,0,1|2,0,1]=4 1771 B8R1.2 NNc1ccccc1 Amb22002446 [0,0,0,0,0,1|3,0,0]=4 1772 B8R1.2 NNc1ccccc1 Amb2793062 [0,0,0,0,0,1|3,0,0]=4 1773 B8R1.2 NNc1ccccc1 Amb8513467 [0,0,0,0,0,1|3,0,0]=4 1774 B8R1.2 NNc1ccccn1 Amb1104567 [0,0,0,0,0,1|3,0,0]=4 1775 B8R1.2 NNc1ccccn1 Amb6297231 [0,0,0,0,0,1|3,0,0]=4 1776 B8R1.2 NNc1cccnc1 Amb10177783 [0,0,0,0,0,1|3,0,0]=4 1777 B8R1.2 NNc1cccnc1 Amb16192849 [0,0,0,0,0,1|3,0,0]=4 1778 B8R1.2 NNc1cccnc1 Amb2092671 [0,0,0,0,0,1|3,0,0]=4 1779 B8R1.2 NNc1cccnn1 Amb16185786 [0,0,0,0,0,1|3,0,0]=4 1780 B8R1.2 NNc1cccnn1 Amb16231295 [0,0,0,0,0,1|3,0,0]=4 1781 B8R1.2 NNc1ccncc1 Amb32409472 [0,0,0,0,0,1|3,0,0]=4 1782 B8R1.2 NNc1ccncc1 Amb5494094 [0,0,0,0,0,1|3,0,0]=4 1783 B8R1.2 NNc1ccncc1 Amb6296706 [0,0,0,0,0,1|3,0,0]=4 1784 B8R1.2 NNc1ccncc1 Amb6297752 [0,0,0,0,0,1|3,0,0]=4 1785 B8R1.2 NNc1ccncn1 Amb22011554 [0,0,0,0,0,1|3,0,0]=4 1786 B8R1.2 NNc1ccncn1 Amb22757340 [0,0,0,0,0,1|3,0,0]=4 1787 B8R1.2 NNc1cnccn1 Amb1111598 [0,0,0,0,0,1|3,0,0]=4 1788 B8R1.2 NNc1ncccn1 Amb1114665 [0,0,0,0,0,1|3,0,0]=4 1789 B8R1.2 NNc1ncccn1 Amb2182937 [0,0,0,0,0,1|3,0,0]=4 1790 B8R1.2 NNc1ncccn1 Amb22587655 [0,0,0,0,0,1|3,0,0]=4 1791 B8R1.2 NOc1ccccc1 Amb18123833 [0,0,0,0,0,1|3,0,0]=4 1792 B8R1.2 NOc1ccccc1 Amb22231364 [0,0,0,0,0,1|3,0,0]=4 1793 B8R1.2 NOc1ccccn1 Amb24101187 [0,0,0,0,0,1|3,0,0]=4 1794 B8R1.2 NOc1cccnc1 Amb27603515 [0,0,0,0,0,1|3,0,0]=4 1795 B8R1.2 NOc1ccncc1 Amb8386473 [0,0,0,0,0,1|3,0,0]=4 1796 B8R1.2 N\N=C1/C=CC=CN1 Amb22732534 [0,0,0,0,0,1|3,0,0]=4 1797 B8R1.2 O=Bc1ccccc1 Amb25221658 [0,0,0,0,0,1|2,0,0]=3 1798 B8R1.2 O=CC1=CC=CSC1 Amb28194907 [0,0,0,0,0,1|0,1,0]=2 1799 B8R1.2 O=CC1=CCC=CO1 Amb27437201 [0,0,0,0,0,1|0,0,0]=1 1800 B8R1.2 O=CC1=CCCCC1 Amb33545149 [0,0,0,0,0,1|1,0,2]=4 1801 B8R1.2 O=CC1=CCCNC1 Amb27833007 [0,0,0,0,0,1|1,0,2]=4 1802 B8R1.2 O=CC1=CCCOC1 Amb1102766 [0,0,0,0,0,1|0,0,2]=3 1803 B8R1.2 O=CC1=CCCSC1 Amb18642670 [0,0,0,0,0,1|0,1,2]=4 1804 B8R1.2 O=CC1=CCOCC1 Amb18641683 [0,0,0,0,0,1|1,0,2]=4 1805 B8R1.2 O=CC1=CNC=CC1 Amb27216667 [0,0,0,0,0,1|1,0,0]=2 1806 B8R1.2 O=CC1=COCCC1 Amb2433566 [0,0,0,0,0,1|0,0,3]=4 1807 B8R1.2 O=CC1=COCCO1 Amb2786548 [0,0,0,0,0,1|0,0,2]=3 1808 B8R1.2 O=CC1=CSCCC1 Amb28316147 [0,0,0,0,0,1|1,0,2]=4 1809 B8R1.2 O=CC1C=CCCC1 Amb18641614 [0,0,0,0,0,1|1,0,2]=4 1810 B8R1.2 O=CC1CC=CCC1 Amb3372080 [0,0,0,0,0,1|1,0,2]=4 1811 B8R1.2 O=CC1CC=CSC1 Amb27434846 [0,0,0,0,0,1|0,1,2]=4 1812 B8R1.2 O=CC1CCC=CO1 Amb3939141 [0,0,0,0,0,1|0,0,2]=3 1813 B8R1.2 O=CN1C=CCCC1 Amb22371093 [0,0,0,0,0,1|2,0,1]=4 1814 B8R1.2 O=CN1C=COCC1 Amb22371094 [0,0,0,0,0,1|2,0,1]=4 1815 B8R1.2 O=C[C@@H]1CC=CCC1 Amb27966684 [0,0,0,0,0,1|1,0,2]=4 1816 B8R1.2 O=C[C@@H]1CCC=CO1 Amb28284610 [0,0,0,0,0,1|0,0,2]=3 1817 B8R1.2 O=C[C@H]1CC=CCC1 Amb533150 [0,0,0,0,0,1|1,0,2]=4 1818 B8R1.2 O=Cc1ccccc1 Amb2792754 [0,0,0,0,0,1|1,0,0]=2 1819 B8R1.2 O=Cc1ccccn1 Amb2720349 [0,0,0,0,0,1|1,0,0]=2 1820 B8R1.2 O=Cc1cccnc1 Amb2720350 [0,0,0,0,0,1|1,0,0]=2 1821 B8R1.2 O=Cc1cccnn1 Amb8010287 [0,0,0,0,0,1|1,0,0]=2 1822 B8R1.2 O=Cc1ccncc1 Amb932832 [0,0,0,0,0,1|1,0,0]=2 1823 B8R1.2 O=Cc1ccncn1 Amb8009550 [0,0,0,0,0,1|1,0,0]=2 1824 B8R1.2 O=Cc1ccnnc1 Amb8010397 [0,0,0,0,0,1|2,0,0]=3 1825 B8R1.2 O=Cc1cnccn1 Amb8009498 [0,0,0,0,0,1|1,0,0]=2 1826 B8R1.2 O=Cc1cncnc1 Amb2235993 [0,0,0,0,0,1|2,0,0]=3 1827 B8R1.2 O=Cc1cncnn1 Amb28135777 [0,0,0,0,0,1|2,0,0]=3 1828 B8R1.2 O=Cc1cnncn1 Amb18833127 [0,0,0,0,0,1|2,0,0]=3 1829 B8R1.2 O=Cc1ncccn1 Amb8010587 [0,0,0,0,0,1|1,0,0]=2 1830 B8R1.2 O=Cc1nccnn1 Amb25662574 [0,0,0,0,0,1|2,0,0]=3 1831 B8R1.2 O=Cc1ncncn1 Amb24409104 [0,0,0,0,0,1|2,0,0]=3 1832 B8R1.2 O=Nc1ccccc1 Amb9785158 [0,0,0,0,0,1|2,0,0]=3 1833 B8R1.2 O=Nc1ccccn1 Amb31031129 [0,0,0,0,0,1|2,0,0]=3 1834 B8R1.2 O=Nc1cccnn1 Amb27962605 [0,0,0,0,0,1|2,0,0]=3 1835 B8R1.2 O=Nc1ccnnc1 Amb28368778 [0,0,0,0,0,1|3,0,0]=4 1836 B8R1.2 O=[IH2]c1ccccc1 Amb15692855 [0,0,0,0,0,1|2,0,0]=3 1837 B8R1.2 OCc1ccccc1 Amb3939216 [0,0,0,0,0,1|1,0,2]=4 1838 B8R1.2 OCc1ccccn1 Amb16231923 [0,0,0,0,0,1|1,0,2]=4 1839 B8R1.2 OCc1ccccn1 Amb2610526 [0,0,0,0,0,1|1,0,2]=4 1840 B8R1.2 OCc1cccnc1 Amb2720347 [0,0,0,0,0,1|1,0,2]=4 1841 B8R1.2 OCc1cccnn1 Amb5282882 [0,0,0,0,0,1|1,0,2]=4 1842 B8R1.2 OCc1ccncc1 Amb24183964 [0,0,0,0,0,1|1,0,2]=4 1843 B8R1.2 OCc1ccncc1 Amb2720348 [0,0,0,0,0,1|1,0,2]=4 1844 B8R1.2 OCc1ccncn1 Amb7101500 [0,0,0,0,0,1|1,0,2]=4 1845 B8R1.2 OCc1cnccn1 Amb2723066 [0,0,0,0,0,1|1,0,2]=4 1846 B8R1.2 OCc1ncccn1 Amb33531368 [0,0,0,0,0,1|1,0,2]=4 1847 B8R1.2 ONc1ccccc1 Amb17672282 [0,0,0,0,0,1|2,0,1]=4 1848 B8R1.2 ONc1cccnn1 Amb27771477 [0,0,0,0,0,1|2,0,1]=4 1849 B8R1.2 ONc1ccncc1 Amb27829868 [0,0,0,0,0,1|2,0,1]=4 1850 B8R1.2 ONc1ncccn1 Amb2793974 [0,0,0,0,0,1|2,0,1]=4 1851 B8R1.2 SCc1ccccc1 Amb6608752 [0,0,0,0,0,1|1,1,1]=4 1852 B8R1.2 SCc1ccccn1 Amb33542790 [0,0,0,0,0,1|1,1,1]=4 1853 B8R1.2 SCc1cccnc1 Amb21984718 [0,0,0,0,0,1|1,1,1]=4 1854 B8R1.2 SCc1cccnn1 Amb27461545 [0,0,0,0,0,1|1,1,1]=4 1855 B8R1.2 SCc1ccncc1 Amb22008603 [0,0,0,0,0,1|1,1,1]=4 1856 B8R1.2 SCc1ccncn1 Amb24099658 [0,0,0,0,0,1|1,1,1]=4 1857 B8R1.2 SCc1cnccn1 Amb8392836 [0,0,0,0,0,1|1,1,1]=4 1858 B8R1.2 SCc1ncccn1 Amb27837560 [0,0,0,0,0,1|1,1,1]=4 1859 B8R1.2 [C-]#[N+]c1ccccc1 Amb1107613 [0,0,0,0,0,1|3,0,0]=4 1860 B8R1.2 [C-]#[N+]c1ccccn1 Amb25840846 [0,0,0,0,0,1|3,0,0]=4 1861 B8R1.2 [C-]#[N+]c1cccnc1 Amb3973078 [0,0,0,0,0,1|3,0,0]=4 1862 B8R1.2 [C-]#[N+]c1ccncc1 Amb27805408 [0,0,0,0,0,1|3,0,0]=4 1863 B8R1.2 [C-]#[N+]c1ccncn1 Amb33269018 [0,0,0,0,0,1|3,0,0]=4 1864 B8R1.2 [C-]#[N+]c1cnccn1 Amb33359980 [0,0,0,0,0,1|3,0,0]=4 1865 B8R1.2 [C-]#[N+]c1ncccn1 Amb26441166 [0,0,0,0,0,1|3,0,0]=4 1866 B8R1.2 [Mg+]Cc1ccccc1 Amb22043988 [0,0,0,0,0,1|2,0,1]=4 1867 B8R1.2 [NH3+]Cc1ccccc1 Amb8488224 [0,0,0,0,0,1|2,0,1]=4 1868 B8R1.2 [SiH3]Cc1ccccc1 Amb22347052 [0,0,0,0,0,1|2,0,1]=4 1869 B5R0.1 C=C=CC(N)=O Amb28049015 [1,0,1,0,0,0|1,0,1]=4 1870 B5R0.1 C=CC=C(C)C Amb22229813 [1,0,1,0,0,0|1,0,1]=4 1871 B5R0.1 C=CCC(=C)C Amb22347764 [1,0,1,0,0,0|1,0,1]=4 1872 B5R0.1 C=CCC(=O)Cl Amb33543701 [1,0,1,0,0,0|1,0,1]=4 1873 B5R0.1 C=CCC(=O)O Amb3940098 [1,0,1,0,0,0|0,0,1]=3 1874 B5R0.1 C=CCC(C)=O Amb8396482 [1,0,1,0,0,0|1,0,1]=4 1875 B5R0.1 C=CCC(N)=O Amb17610156 [1,0,1,0,0,0|1,0,1]=4 1876 B5R0.1 C=CCS(=O)O Amb33534190 [1,0,1,0,0,0|1,0,1]=4 1877 B5R0.1 C=CC[PH](=O)O Amb8391287 [1,0,1,0,0,0|1,0,1]=4 1878 B5R0.1 C=CNC(C)=O Amb24323579 [1,0,1,0,0,0|1,0,1]=4 1879 B5R0.1 C=CNC(N)=O Amb25082241 [1,0,1,0,0,0|2,0,0]=4 1880 B5R0.1 C=COC(=O)Cl Amb8514993 [1,0,1,0,0,0|1,0,0]=3 1881 B5R0.1 C=COC(C)=O Amb8513382 [1,0,1,0,0,0|0,0,1]=3 1882 B5R0.1 CC(=O)OC=O Amb25283525 [1,0,1,0,0,0|1,0,1]=4 1883 B5R0.1 CC(=O)\C=C/N Amb25147403 [1,0,1,0,0,0|2,0,0]=4 1884 B5R0.1 CC(=O)\C=C/[O-] Amb30876865 [1,0,1,0,0,0|2,0,0]=4 1885 B5R0.1 CC(=O)\C=C\Cl Amb17593099 [1,0,1,0,0,0|2,0,0]=4 1886 B5R0.1 CC(=O)\C=C\N Amb8395283 [1,0,1,0,0,0|2,0,0]=4 1887 B5R0.1 CC(=O)\C=C\[O-] Amb32644521 [1,0,1,0,0,0|2,0,0]=4 1888 B5R0.1 C\C=C/C(=O)O Amb27779315 [1,0,1,0,0,0|0,0,1]=3 1889 B5R0.1 C\C=C/C(C)=O Amb28351405 [1,0,1,0,0,0|1,0,1]=4 1890 B5R0.1 C\C=C\C(=O)Br Amb25026006 [1,0,1,0,0,0|1,0,1]=4 1891 B5R0.1 C\C=C\C(=O)Cl Amb8517577 [1,0,1,0,0,0|1,0,1]=4 1892 B5R0.1 C\C=C\C(=O)O Amb8385856 [1,0,1,0,0,0|0,0,1]=3 1893 B5R0.1 C\C=C\C(C)=O Amb33941980 [1,0,1,0,0,0|1,0,1]=4 1894 B5R0.1 C\C=C\C(N)=O Amb4025906 [1,0,1,0,0,0|1,0,1]=4 1895 B5R0.1 NC(=O)\C=C\I Amb27791850 [1,0,1,0,0,0|2,0,0]=4 1896 B5R0.1 N\C=C\C(=O)O Amb27217920 [1,0,1,0,0,0|1,0,0]=3 1897 B5R0.1 N\C=C\C(N)=O Amb27237320 [1,0,1,0,0,0|2,0,0]=4 1898 B5R0.1 O=C(Cl)\C=C/Cl Amb27463694 [1,0,1,0,0,0|2,0,0]=4 1899 B5R0.1 O=C(O)\C=C/Br Amb18644453 [1,0,1,0,0,0|1,0,0]=3 1900 B5R0.1 O=C(O)\C=C/Cl Amb8513768 [1,0,1,0,0,0|1,0,0]=3 1901 B5R0.1 O=C(O)\C=C/I Amb28315824 [1,0,1,0,0,0|1,0,0]=3 1902 B5R0.1 O=C(O)\C=C\Br Amb27423608 [1,0,1,0,0,0|1,0,0]=3 1903 B5R0.1 O=C(O)\C=C\Cl Amb33986098 [1,0,1,0,0,0|1,0,0]=3 1904 B5R0.1 O=C(O)\C=C\I Amb30584673 [1,0,1,0,0,0|1,0,0]=3 1905 B5R0.1 O=C(O)\C=C\O Amb26055842 [1,0,1,0,0,0|1,0,0]=3 1906 B5R0.1 O=C(O)\C=C\S Amb28401590 [1,0,1,0,0,0|1,0,0]=3 1907 B5R0.1 O=C(O)\C=N\O Amb20671938 [1,0,1,0,0,0|2,0,0]=4 1908 B5R0.1 O=CCC(=O)O Amb22169407 [1,0,1,0,0,0|1,0,1]=4 1909 B5R0.2 C#C\C=C\C=O Amb17593013 [1,0,1,0,0,0|0,0,2]=4 1910 B5R0.2 C=C=CCC=O Amb27234481 [1,0,1,0,0,0|0,0,2]=4 1911 B5R0.2 C=CC#CC=C Amb24671264 [1,0,1,0,0,0|1,0,1]=4 1912 B5R0.2 C=CC#CC=O Amb28284761 [1,0,1,0,0,0|0,0,2]=4 1913 B5R0.2 C=CCCC=C Amb8513514 [1,0,1,0,0,0|1,0,1]=4 1914 B5R0.2 C=CCCC=O Amb4358616 [1,0,1,0,0,0|0,0,2]=4 1915 B5R0.2 C=CCNC=C Amb28134893 [1,0,1,0,0,0|1,0,1]=4 1916 B5R0.2 C=CCNC=O Amb2781857 [1,0,1,0,0,0|1,0,1]=4 1917 B5R0.2 C=CCOC=C Amb17933943 [1,0,1,0,0,0|0,0,1]=3 1918 B5R0.2 C=CC\C=C/C Amb26426294 [1,0,1,0,0,0|1,0,1]=4 1919 B5R0.2 C=CSSC=C Amb27776219 [1,0,1,0,0,0|1,1,0]=4 1920 B5R0.2 C=C\C=C\C#N Amb17593012 [1,0,1,0,0,0|1,0,1]=4 1921 B5R0.2 C=C\C=C\C=C Amb17939040 [1,0,1,0,0,0|1,0,0]=3 1922 B5R0.2 C=C\C=C\C=O Amb26369847 [1,0,1,0,0,0|0,0,0]=2 1923 B5R0.2 C=C\C=C\CBr Amb24350542 [1,0,1,0,0,0|1,0,1]=4 1924 B5R0.2 C=C\C=C\CC Amb8513434 [1,0,1,0,0,0|1,0,1]=4 1925 B5R0.2 C=C\C=C\CCl Amb24401492 [1,0,1,0,0,0|1,0,1]=4 1926 B5R0.2 C=C\C=C\CN Amb26011188 [1,0,1,0,0,0|1,0,1]=4 1927 B5R0.2 C=C\C=C\CN Amb32824809 [1,0,1,0,0,0|1,0,1]=4 1928 B5R0.2 CC\C=C\C=O Amb33986391 [1,0,1,0,0,0|0,0,2]=4 1929 B5R0.2 CN\C=C\C=O Amb24564349 [1,0,1,0,0,0|1,0,1]=4 1930 B5R0.2 CO\C=C/C=O Amb28049941 [1,0,1,0,0,0|1,0,1]=4 1931 B5R0.2 CO\C=C\C=O Amb26873964 [1,0,1,0,0,0|1,0,1]=4 1932 B5R0.2 C\C=C/C=C/C Amb26318493 [1,0,1,0,0,0|1,0,1]=4 1933 B5R0.2 C\C=C\C=C\Br Amb27791828 [1,0,1,0,0,0|1,0,1]=4 1934 B5R0.2 C\C=C\C=C\C Amb27622458 [1,0,1,0,0,0|1,0,1]=4 1935 B5R0.2 C\C=C\CC=O Amb26655030 [1,0,1,0,0,0|0,0,2]=4 1936 B5R0.2 N\C=N\OC=O Amb28118665 [1,0,1,0,0,0|2,0,0]=4 1937 B5R0.2 O=CC\C=C\Cl Amb24571938 [1,0,1,0,0,0|1,0,1]=4 1938 B5R0.2 O=C\C=C/C=O Amb28146767 [1,0,1,0,0,0|0,0,1]=3 1939 B5R0.2 O=C\C=C\C=O Amb17593019 [1,0,1,0,0,0|0,0,1]=3 1940 B5R0.2 O=C\C=C\CCl Amb18122401 [1,0,1,0,0,0|1,0,1]=4 1941 B5R0.2 O=C\C=C\CF Amb33475269 [1,0,1,0,0,0|1,0,1]=4 1942 B5R0.2 O=C\C=C\CO Amb24356008 [1,0,1,0,0,0|0,0,1]=3 1943 B5R0.2 O\C=C\C=N\O Amb27831482 [1,0,1,0,0,0|1,0,1]=4 1944 B5R0.3 C#CC(=O)C=C Amb27954057 [1,0,1,0,0,0|1,0,1]=4 1945 B5R0.3 C=C(C=O)CC Amb17940102 [1,0,1,0,0,0|0,0,2]=4 1946 B5R0.3 C=C(C=O)OC Amb27863725 [1,0,1,0,0,0|0,0,1]=3 1947 B5R0.3 C=C=C(C)C=O Amb28049865 [1,0,1,0,0,0|0,0,2]=4 1948 B5R0.3 C=CC(=C)CBr Amb24451750 [1,0,1,0,0,0|1,0,1]=4 1949 B5R0.3 C=CC(=C)CC Amb28141349 [1,0,1,0,0,0|1,0,1]=4 1950 B5R0.3 C=CC(=C)OC Amb28145100 [1,0,1,0,0,0|0,0,1]=3 1951 B5R0.3 C=CC(=O)C=C Amb22265893 [1,0,1,0,0,0|1,0,0]=3 1952 B5R0.3 C=CC(=O)CBr Amb10602446 [1,0,1,0,0,0|2,0,0]=4 1953 B5R0.3 C=CC(=O)CC Amb3940490 [1,0,1,0,0,0|1,0,1]=4 1954 B5R0.3 C=CC(=O)CCl Amb27211112 [1,0,1,0,0,0|2,0,0]=4 1955 B5R0.3 C=CC(=O)CO Amb28074769 [1,0,1,0,0,0|2,0,0]=4 1956 B5R0.3 C=CC(=O)NC Amb9480402 [1,0,1,0,0,0|1,0,1]=4 1957 B5R0.3 C=CC(=O)NN Amb25134207 [1,0,1,0,0,0|2,0,0]=4 1958 B5R0.3 C=CC(=O)NN Amb33330767 [1,0,1,0,0,0|2,0,0]=4 1959 B5R0.3 C=CC(=O)NO Amb28049735 [1,0,1,0,0,0|2,0,0]=4 1960 B5R0.3 C=CC(=O)OC Amb22351400 [1,0,1,0,0,0|0,0,1]=3 1961 B5R0.3 C=CC(=O)OC Amb2793072 [1,0,1,0,0,0|0,0,1]=3 1962 B5R0.3 C=CC(=O)O[Na] Amb22336198 [1,0,1,0,0,0|1,0,0]=3 1963 B5R0.3 C=CC(Br)C=O Amb27477894 [1,0,1,0,0,0|1,0,1]=4 1964 B5R0.3 C=CC(C)C=O Amb25737956 [1,0,1,0,0,0|0,0,2]=4 1965 B5R0.3 C=CC(Cl)C=O Amb27477543 [1,0,1,0,0,0|1,0,1]=4 1966 B5R0.3 C=CC(O)C=C Amb8383420 [1,0,1,0,0,0|1,0,1]=4 1967 B5R0.3 C=C\C(Br)=C\Cl Amb27407129 [1,0,1,0,0,0|2,0,0]=4 1968 B5R0.3 C=C\C(C)=C/Br Amb27420834 [1,0,1,0,0,0|1,0,1]=4 1969 B5R0.3 C=C\C(C)=C\N Amb27488688 [1,0,1,0,0,0|1,0,1]=4 1970 B5R0.3 COC(=O)C=O Amb29083438 [1,0,1,0,0,0|1,0,1]=4 1971 B5R0.3 COC(=O)C=O Amb8384463 [1,0,1,0,0,0|1,0,1]=4 1972 B5R0.3 C\C(C=O)=C/N Amb26887758 [1,0,1,0,0,0|1,0,1]=4 1973 B5R0.3 C\C(C=O)=C\I Amb28240324 [1,0,1,0,0,0|1,0,1]=4 1974 B5R0.3 C\C(C=O)=C\O Amb27947285 [1,0,1,0,0,0|1,0,1]=4 1975 B5R0.3 C\C=C(/Br)C=O Amb24478125 [1,0,1,0,0,0|1,0,1]=4 1976 B5R0.3 C\C=C(/C)C=O Amb30526844 [1,0,1,0,0,0|0,0,2]=4 1977 B5R0.3 C\C=C(/Cl)C=O Amb18122386 [1,0,1,0,0,0|1,0,1]=4 1978 B5R0.3 C\C=C(/I)C=O Amb28049947 [1,0,1,0,0,0|1,0,1]=4 1979 B5R0.3 C\C=C(\Br)C=O Amb18124612 [1,0,1,0,0,0|1,0,1]=4 1980 B5R0.3 C\C=C(\C)C=O Amb24333046 [1,0,1,0,0,0|0,0,2]=4 1981 B5R0.3 N\C(C=O)=C/O Amb28315747 [1,0,1,0,0,0|2,0,0]=4 1982 B5R0.3 N\C=C(/Cl)C=O Amb26926530 [1,0,1,0,0,0|2,0,0]=4 1983 B5R0.3 N\C=C(\Cl)C=O Amb26390929 [1,0,1,0,0,0|2,0,0]=4 1984 B5R0.3 O=CC(=O)C=O Amb17593025 [1,0,1,0,0,0|1,0,1]=4 1985 B5R0.3 O=CC(O)C=O Amb17615780 [1,0,1,0,0,0|1,0,1]=4 1986 B5R0.3 O=C\C(Br)=C/O Amb24333812 [1,0,1,0,0,0|2,0,0]=4 1987 B5R0.3 O=C\C(Br)=C\Cl Amb27226965 [1,0,1,0,0,0|2,0,0]=4 1988 B5R0.3 O=C\C(Br)=C\O Amb24478132 [1,0,1,0,0,0|2,0,0]=4 1989 B5R0.3 O=C\C(Cl)=C\Cl Amb18124305 [1,0,1,0,0,0|2,0,0]=4 1990 B5R0.3 O=C\C(F)=C/O Amb27251562 [1,0,1,0,0,0|2,0,0]=4 1991 B5R0.3 O=C\C(O)=C\O Amb27863726 [1,0,1,0,0,0|1,0,0]=3 1992 B5R1.1 C1=CCOC1 Amb7809243 [2,0,0,0,0,0|0,0,2]=4 1993 B5R1.1 C1=COCC1 Amb6609005 [2,0,0,0,0,0|0,0,2]=4 1994 B5R1.1 C1=COCN1 Amb20242493 [2,0,0,0,0,0|1,0,1]=4 1995 B5R1.1 C1=C[CH-]C=C1 Amb8517522 [2,0,0,0,0,0|1,0,0]=3 1996 B5R1.1 [C-]1=CC=CC1 Amb22231445 [2,0,0,0,0,0|1,0,1]=4 1997 B5R1.1 c1ccoc1 Amb6608834 [2,0,0,0,0,0|0,0,0]=2 1998 B5R1.1 c1ccsc1 Amb2694672 [2,0,0,0,0,0|0,1,0]=3 1999 B5R1.1 c1cnoc1 Amb2694985 [2,0,0,0,0,0|1,0,0]=3 2000 B5R1.1 c1cnon1 Amb25024407 [2,0,0,0,0,0|2,0,0]=4 2001 B5R1.1 c1cnsc1 Amb1090456 [2,0,0,0,0,0|1,1,0]=4 2002 B5R1.1 c1cocn1 Amb2608869 [2,0,0,0,0,0|1,0,0]=3 2003 B5R1.1 c1cscn1 Amb2690588 [2,0,0,0,0,0|1,1,0]=4 2004 B5R1.1 c1nnco1 Amb10552366 [2,0,0,0,0,0|2,0,0]=4 2005 B7R0.2 C=C(C)\C=C(/C)C=O Amb27464033 [0,1,1,0,0,0|1,0,0]=3 2006 B7R0.2 C=CC(=C)OC(C)=O Amb25694419 [0,1,1,0,0,0|1,0,1]=4 2007 B7R0.2 C=C\C(O)=C/C(C)=O Amb24553056 [0,1,1,0,0,0|1,0,1]=4 2008 B7R0.2 CC(=O)\C=C(/C)C=O Amb27607120 [0,1,1,0,0,0|1,0,1]=4 2009 B7R0.2 CC(=O)\C=C(\C)C=O Amb18641689 [0,1,1,0,0,0|1,0,1]=4 2010 B7R0.2 O=C\C(Cl)=C/C(=O)O Amb27852924 [0,1,1,0,0,0|2,0,0]=4 2011 B7R0.3 C=C(C=O)C\C=C\C Amb26441086 [0,1,1,0,0,0|1,0,0]=3 2012 B7R0.3 C=CC=C=C(C)C=O Amb28388607 [0,1,1,0,0,0|1,0,0]=3 2013 B7R0.3 C=CCCC(O)C=O Amb27863605 [0,1,1,0,0,0|0,0,2]=4 2014 B7R0.3 C=CCOC(=O)C=C Amb4034462 [0,1,1,0,0,0|2,0,0]=4 2015 B7R0.3 C=CC\C=C(/C)C=O Amb18123725 [0,1,1,0,0,0|1,0,0]=3 2016 B7R0.3 C=C\C=C/[C@H](C)C=O Amb27592910 [0,1,1,0,0,0|1,0,1]=4 2017 B7R0.3 C=C\C=C\C(=O)C=C Amb27210567 [0,1,1,0,0,0|1,0,1]=4 2018 B7R0.3 C=C\C=C\C(C)C=O Amb28048951 [0,1,1,0,0,0|1,0,1]=4 2019 B7R0.3 CCS\C=C(\O)C=O Amb27412581 [0,1,1,0,0,0|0,0,2]=4 2020 B7R0.3 C\C(C=O)=C/C=N/O Amb28388650 [0,1,1,0,0,0|2,0,0]=4 2021 B7R0.3 C\C(C=O)=C/CC=O Amb27236148 [0,1,1,0,0,0|1,0,1]=4 2022 B7R0.3 C\C=C/C=C(/C)C=O Amb27392706 [0,1,1,0,0,0|1,0,0]=3 2023 B7R0.3 C\C=C\C=C(/C)C=O Amb27204994 [0,1,1,0,0,0|1,0,0]=3 2024 B7R0.3 O=CC\C=C(/Cl)C=O Amb27401185 [0,1,1,0,0,0|1,0,1]=4 2025 B7R0.3 O=C\C(Br)=C\C=C\O Amb27204776 [0,1,1,0,0,0|1,0,0]=3 2026 B7R0.3 O=C\C(Cl)=C\C=C\O Amb28131732 [0,1,1,0,0,0|1,0,0]=3 2027 B7R0.3 O=C\C=C\C(=O)C=O Amb27440015 [0,1,1,0,0,0|0,0,1]=3 2028 B7R0.5 C=C(\C=C\C)C(C)=O Amb25712751 [0,1,1,0,0,0|1,0,1]=4 2029 B7R0.5 C=CCC(=C)C(=O)O Amb18641687 [0,1,1,0,0,0|1,0,0]=3 2030 B7R0.5 C=CCC(=C)C(N)=O Amb27845092 [0,1,1,0,0,0|1,0,0]=3 2031 B7R0.5 C=CCC(=O)C(=O)O Amb25890017 [0,1,1,0,0,0|0,0,2]=4 2032 B7R0.5 C=CCC(O)C(C)=O Amb26451431 [0,1,1,0,0,0|0,0,2]=4 2033 B7R0.5 C=COC(=O)C(=C)C Amb22045212 [0,1,1,0,0,0|2,0,0]=4 2034 B7R0.5 C=C\C=C(/Cl)C(=O)O Amb18642910 [0,1,1,0,0,0|1,0,0]=3 2035 B7R0.5 C=C\C=C(\C)C(=O)O Amb27221069 [0,1,1,0,0,0|1,0,0]=3 2036 B7R0.5 CC(=O)\C(C)=C\C=O Amb28208341 [0,1,1,0,0,0|2,0,0]=4 2037 B7R0.5 CO\C=C(/O)C(C)=O Amb27423656 [0,1,1,0,0,0|1,0,1]=4 2038 B7R0.5 CO\C=C(\O)C(C)=O Amb27435154 [0,1,1,0,0,0|1,0,1]=4 2039 B7R0.5 C\C(=C/C=O)C(=O)O Amb27165186 [0,1,1,0,0,0|2,0,0]=4 2040 B7R0.5 C\C(=C/C=O)C(N)=O Amb27838329 [0,1,1,0,0,0|2,0,0]=4 2041 B7R0.5 C\C=C\C(O)C(=O)O Amb30585115 [0,1,1,0,0,0|0,0,2]=4 2042 B7R0.5 C\C=C\C(O)C(C)=O Amb25912951 [0,1,1,0,0,0|0,0,2]=4 2043 B7R0.5 C\C=C\[C@@H](O)C(=O)O Amb28368832 [0,1,1,0,0,0|0,0,2]=4 2044 B7R0.5 C\C=C\[C@H](O)C(=O)O Amb27162651 [0,1,1,0,0,0|0,0,2]=4 2045 B7R0.5 O=C\C=C(/Br)C(=O)O Amb28320595 [0,1,1,0,0,0|2,0,0]=4 2046 B7R0.5 O=C\C=C(/Cl)C(=O)O Amb27784434 [0,1,1,0,0,0|2,0,0]=4 2047 B7R0.7 C=CCC(=O)OC=C Amb27242220 [0,1,1,0,0,0|2,0,0]=4 2048 B7R0.7 C=COC(=O)OC=C Amb27491742 [0,1,1,0,0,0|2,0,0]=4 2049 B7R0.7 C=COC(=O)\C=C\C Amb8514531 [0,1,1,0,0,0|2,0,0]=4 2050 B7R0.10 C=CC(=C)C(=O)C=C Amb27185481 [0,1,1,0,0,0|1,0,1]=4 2051 B7R0.10 C=CC(=C)C(O)C=C Amb28128381 [0,1,1,0,0,0|1,0,1]=4 2052 B7R0.10 C=CC(=O)C(=O)C=C Amb27844983 [0,1,1,0,0,0|1,0,1]=4 2053 B7R0.10 C=CC(=O)\C(C)=C/C Amb27434163 [0,1,1,0,0,0|2,0,0]=4 2054 B7R0.10 C\C(C=O)=C(\C)C=O Amb27434822 [0,1,1,0,0,0|2,0,0]=4 2055 B7R0.10 O=CC(=O)C(=O)C=O Amb28398070 [0,1,1,0,0,0|1,0,1]=4 2056 B7R0.10 O=CC(=O)\C(Cl)=C/Cl Amb27632936 [0,1,1,0,0,0|1,0,1]=4 2057 B7R0.12 C=CCC(C=O)C=O Amb27424667 [0,1,1,0,0,0|1,0,1]=4 2058 B7R0.12 C=CC\C(C=O)=C/C Amb27438536 [0,1,1,0,0,0|1,0,0]=3 2059 B7R0.12 C=CC\C(C=O)=C\C Amb25939505 [0,1,1,0,0,0|1,0,0]=3 2060 B7R0.12 C=C\C=C(/CO)OC Amb28345020 [0,1,1,0,0,0|0,0,2]=4 2061 B7R0.12 CO\C=C(/C=O)OC Amb26003663 [0,1,1,0,0,0|1,0,1]=4 2062 B7R0.12 N\C=C(/C=O)NC=O Amb27226072 [0,1,1,0,0,0|2,0,0]=4 2063 B7R0.12 O=CN\C(C=O)=C\O Amb26015019 [0,1,1,0,0,0|2,0,0]=4 2064 B7R0.1 B\C=C\C=C\C=C\N Amb28068718 [0,1,1,0,0,0|2,0,0]=4 2065 B7R0.1 C#C\C=C\C=C\C=O Amb27968252 [0,1,1,0,0,0|1,0,0]=3 2066 B7R0.1 C#C\C=C\C=C\CO Amb28065184 [0,1,1,0,0,0|1,0,1]=4 2067 B7R0.1 C#C\C=N\C=C\C=O Amb27841149 [0,1,1,0,0,0|1,0,1]=4 2068 B7R0.1 C=C=CCOCC=O Amb28321808 [0,1,1,0,0,0|0,0,2]=4 2069 B7R0.1 C=CCOCCC=O Amb26516382 [0,1,1,0,0,0|0,0,2]=4 2070 B7R0.1 C=C\C=C/C=C/C=O Amb27166172 [0,1,1,0,0,0|1,0,0]=3 2071 B7R0.1 C=C\C=C\C=C\CBr Amb27659022 [0,1,1,0,0,0|2,0,0]=4 2072 B7R0.1 CC=C=C\C=C\CO Amb27853778 [0,1,1,0,0,0|1,0,1]=4 2073 B7R0.1 CC\C=C\C=C\C=O Amb8392847 [0,1,1,0,0,0|1,0,0]=3 2074 B7R0.1 CC\C=C\C=C\CO Amb32953372 [0,1,1,0,0,0|1,0,1]=4 2075 B7R0.1 COCC\C=C\C=O Amb33377482 [0,1,1,0,0,0|0,0,2]=4 2076 B7R0.1 CO\C=C/C#CC=O Amb27401140 [0,1,1,0,0,0|0,0,2]=4 2077 B7R0.1 CO\C=C\C#CC=O Amb27788490 [0,1,1,0,0,0|0,0,2]=4 2078 B7R0.1 CO\C=C\CCC=O Amb18641790 [0,1,1,0,0,0|0,0,2]=4 2079 B7R0.1 C\C=C\C=C\CCO Amb27459750 [0,1,1,0,0,0|1,0,1]=4 2080 B7R0.1 C\C=C\C\C=C\C=O Amb27202097 [0,1,1,0,0,0|1,0,0]=3 2081 B7R0.1 Cl\C=C/C=C/C=C/Br Amb28325602 [0,1,1,0,0,0|2,0,0]=4 2082 B7R0.1 Cl\C=C\C=C\C=C\Br Amb27192169 [0,1,1,0,0,0|2,0,0]=4 2083 B7R0.1 O=CC\C=C\C=C\Br Amb27222551 [0,1,1,0,0,0|1,0,0]=3 2084 B7R0.1 O=CC\C=C\CC=O Amb26402388 [0,1,1,0,0,0|0,0,2]=4 2085 B7R0.1 O=C\C=C/C=C/C=O Amb17593128 [0,1,1,0,0,0|0,0,1]=3 2086 B7R0.1 O=C\C=C\C=C\C=O Amb25209344 [0,1,1,0,0,0|0,0,1]=3 2087 B7R0.1 O=C\C=C\C=C\CCl Amb28292786 [0,1,1,0,0,0|1,0,0]=3 2088 B7R0.1 O=C\C=C\C=C\CO Amb27424442 [0,1,1,0,0,0|0,0,0]=2 2089 B7R0.1 O=C\C=C\CCC=O Amb18124241 [0,1,1,0,0,0|0,0,2]=4 2090 B7R0.1 OC\C=C/C=C\CO Amb26515771 [0,1,1,0,0,0|0,0,2]=4 2091 B7R0.1 OC\C=C\C=C\CO Amb33328625 [0,1,1,0,0,0|0,0,2]=4 2092 B7R0.1 O\C=C\C=C\CCO Amb27605420 [0,1,1,0,0,0|0,0,2]=4 2093 B7R0.4 C=C(C)COCC=O Amb27949608 [0,1,1,0,0,0|0,0,2]=4 2094 B7R0.4 C=C(C)CONC=O Amb27620967 [0,1,1,0,0,0|1,0,1]=4 2095 B7R0.4 C=C(C)C\C=C\C=O Amb18640955 [0,1,1,0,0,0|1,0,1]=4 2096 B7R0.4 C=CCOCC(=O)O Amb9208694 [0,1,1,0,0,0|0,0,2]=4 2097 B7R0.4 C=CCOCC(C)=O Amb27829146 [0,1,1,0,0,0|0,0,2]=4 2098 B7R0.4 C=CCOCC(N)=O Amb26859258 [0,1,1,0,0,0|0,0,2]=4 2099 B7R0.4 C=CCONC(N)=O Amb2899787 [0,1,1,0,0,0|1,0,1]=4 2100 B7R0.4 C=C\C=C\CC(=O)O Amb34916435 [0,1,1,0,0,0|1,0,1]=4 2101 B7R0.4 CC(=O)C=C=CCO Amb28284681 [0,1,1,0,0,0|0,0,2]=4 2102 B7R0.4 CC(=O)C\C=C\C=O Amb27165276 [0,1,1,0,0,0|0,0,2]=4 2103 B7R0.4 CC(=O)\C=C/C=C\Br Amb27858614 [0,1,1,0,0,0|1,0,0]=3 2104 B7R0.4 CC(=O)\C=C\C=C\Cl Amb27233379 [0,1,1,0,0,0|1,0,0]=3 2105 B7R0.4 CC(=O)\C=C\CCO Amb26479998 [0,1,1,0,0,0|0,0,2]=4 2106 B7R0.4 CC(C)=C\C=C/C=O Amb27169113 [0,1,1,0,0,0|1,0,0]=3 2107 B7R0.4 CC(C)=C\C=C\CO Amb28400370 [0,1,1,0,0,0|1,0,1]=4 2108 B7R0.4 CC(O)\C=C\C=C\Cl Amb27454846 [0,1,1,0,0,0|1,0,1]=4 2109 B7R0.4 C\C=C/C=C/C(C)=O Amb28129038 [0,1,1,0,0,0|1,0,0]=3 2110 B7R0.4 C\C=C\C=C/C(C)O Amb22342426 [0,1,1,0,0,0|1,0,1]=4 2111 B7R0.4 C\C=C\C=C\C(=N)N Amb28428922 [0,1,1,0,0,0|2,0,0]=4 2112 B7R0.4 C\C=C\C=C\C(=O)Cl Amb32664141 [0,1,1,0,0,0|1,0,0]=3 2113 B7R0.4 C\C=C\C=C\C(=O)O Amb17784698 [0,1,1,0,0,0|1,0,0]=3 2114 B7R0.4 C\C=C\C=C\C(=O)[O-] Amb33512746 [0,1,1,0,0,0|1,0,0]=3 2115 B7R0.4 C\C=C\C=C\C(=O)[O-] Amb33723188 [0,1,1,0,0,0|1,0,0]=3 2116 B7R0.4 C\C=C\C=C\C(C)=O Amb17593137 [0,1,1,0,0,0|1,0,0]=3 2117 B7R0.4 C\C=C\C=C\C(C)O Amb27843477 [0,1,1,0,0,0|1,0,1]=4 2118 B7R0.4 C\C=C\C=C\C(N)=O Amb28400805 [0,1,1,0,0,0|1,0,0]=3 2119 B7R0.4 C\C=C\C=C\[C@@H](C)O Amb27223068 [0,1,1,0,0,0|1,0,1]=4 2120 B7R0.4 NC(=O)NN\C=C\O Amb27265610 [0,1,1,0,0,0|2,0,0]=4 2121 B7R0.4 O=C(O)C\C=C\CO Amb28429811 [0,1,1,0,0,0|0,0,2]=4 2122 B7R0.4 O=C(O)\C=C/C=N/O Amb27449866 [0,1,1,0,0,0|1,0,0]=3 2123 B7R0.4 O=C(O)\C=C\C=C\Cl Amb28189602 [0,1,1,0,0,0|1,0,0]=3 2124 B7R0.15 C=CC(C=C)C(=O)O Amb27663214 [0,1,1,0,0,0|1,0,1]=4 2125 B7R0.15 CO\C(C=O)=C(\C)Cl Amb28455196 [0,1,1,0,0,0|0,0,2]=4 2126 B7R0.15 C\C=C(/OC)C(C)=O Amb26917540 [0,1,1,0,0,0|0,0,2]=4 2127 B7R1.2 Brc1cc(I)cs1 Amb27963171 [1,1,0,0,0,0|1,1,0]=4 2128 B7R1.2 Brc1ccc(Br)o1 Amb19651339 [1,1,0,0,0,0|1,0,0]=3 2129 B7R1.2 Brc1ccc(Br)s1 Amb2447247 [1,1,0,0,0,0|1,1,0]=4 2130 B7R1.2 Brc1ccc(I)s1 Amb5720292 [1,1,0,0,0,0|1,1,0]=4 2131 B7R1.2 Brc1cnc(Br)o1 Amb27844511 [1,1,0,0,0,0|2,0,0]=4 2132 B7R1.2 Brc1cnc(I)o1 Amb27219795 [1,1,0,0,0,0|2,0,0]=4 2133 B7R1.2 Brc1csc(Br)c1 Amb2723434 [1,1,0,0,0,0|1,1,0]=4 2134 B7R1.2 Brc1csc(I)c1 Amb24320667 [1,1,0,0,0,0|1,1,0]=4 2135 B7R1.2 C=C1COC(=O)C1 Amb24589821 [1,1,0,0,0,0|0,0,2]=4 2136 B7R1.2 C=C1NC(=O)CO1 Amb27847146 [1,1,0,0,0,0|1,0,1]=4 2137 B7R1.2 CC1=CC(=N)NO1 Amb22330538 [1,1,0,0,0,0|1,0,1]=4 2138 B7R1.2 CC1=CC(=O)CC1 Amb6608696 [1,1,0,0,0,0|1,0,1]=4 2139 B7R1.2 CC1=CC(=O)CN1 Amb27390872 [1,1,0,0,0,0|2,0,0]=4 2140 B7R1.2 CC1=CC(=O)CO1 Amb22372192 [1,1,0,0,0,0|0,0,2]=4 2141 B7R1.2 CC1=CC(=O)NC1 Amb24479892 [1,1,0,0,0,0|1,0,1]=4 2142 B7R1.2 CC1=CC(=O)NN1 Amb19770794 [1,1,0,0,0,0|2,0,0]=4 2143 B7R1.2 CC1=CC(=O)NO1 Amb19338707 [1,1,0,0,0,0|1,0,1]=4 2144 B7R1.2 CC1=CC(=O)OC1 Amb22002703 [1,1,0,0,0,0|0,0,1]=3 2145 B7R1.2 CC1=CNC(=O)N1 Amb20667076 [1,1,0,0,0,0|2,0,0]=4 2146 B7R1.2 CC1=COC(=N)N1 Amb20637145 [1,1,0,0,0,0|2,0,0]=4 2147 B7R1.2 CC1=COC(=O)C1 Amb27624758 [1,1,0,0,0,0|0,0,1]=3 2148 B7R1.2 CC1=COC(=O)N1 Amb27185570 [1,1,0,0,0,0|1,0,0]=3 2149 B7R1.2 CC1=CSC(=O)N1 Amb19372452 [1,1,0,0,0,0|1,1,0]=4 2150 B7R1.2 CC1=NC(=O)ON1 Amb22491279 [1,1,0,0,0,0|2,0,0]=4 2151 B7R1.2 CC1=NCC(=O)O1 Amb27783804 [1,1,0,0,0,0|1,0,1]=4 2152 B7R1.2 CC1=NNC(=O)O1 Amb19957998 [1,1,0,0,0,0|2,0,0]=4 2153 B7R1.2 CC1=NOC(=O)C1 Amb22274079 [1,1,0,0,0,0|1,0,1]=4 2154 B7R1.2 CC1=NSC(=O)O1 Amb22395221 [1,1,0,0,0,0|2,0,0]=4 2155 B7R1.2 CC1C=CC(=O)C1 Amb27260718 [1,1,0,0,0,0|1,0,1]=4 2156 B7R1.2 CC1C=CC(=O)O1 Amb24053964 [1,1,0,0,0,0|0,0,1]=3 2157 B7R1.2 CC1C=CC(=O)S1 Amb25746305 [1,1,0,0,0,0|0,1,1]=4 2158 B7R1.2 CN1C=CC(=O)C1 Amb28201569 [1,1,0,0,0,0|2,0,0]=4 2159 B7R1.2 C[C@@H]1C=CC(=O)C1 Amb28199837 [1,1,0,0,0,0|1,0,1]=4 2160 B7R1.2 C[C@H]1C=CC(=O)C1 Amb27262978 [1,1,0,0,0,0|1,0,1]=4 2161 B7R1.2 Cc1cc(Br)co1 Amb18828030 [1,1,0,0,0,0|0,0,1]=3 2162 B7R1.2 Cc1cc(Br)cs1 Amb2685344 [1,1,0,0,0,0|0,1,1]=4 2163 B7R1.2 Cc1cc(Br)no1 Amb10603673 [1,1,0,0,0,0|1,0,1]=4 2164 B7R1.2 Cc1cc(Br)on1 Amb18190948 [1,1,0,0,0,0|2,0,0]=4 2165 B7R1.2 Cc1cc(C)on1 Amb17685548 [1,1,0,0,0,0|1,0,1]=4 2166 B7R1.2 Cc1cc(Cl)cs1 Amb8388001 [1,1,0,0,0,0|0,1,1]=4 2167 B7R1.2 Cc1cc(Cl)no1 Amb24524072 [1,1,0,0,0,0|1,0,1]=4 2168 B7R1.2 Cc1cc(Cl)on1 Amb26958526 [1,1,0,0,0,0|2,0,0]=4 2169 B7R1.2 Cc1cc(F)cs1 Amb27170659 [1,1,0,0,0,0|0,1,1]=4 2170 B7R1.2 Cc1cc(I)cs1 Amb27144872 [1,1,0,0,0,0|0,1,1]=4 2171 B7R1.2 Cc1cc(I)on1 Amb22754616 [1,1,0,0,0,0|2,0,0]=4 2172 B7R1.2 Cc1cc(N)cs1 Amb18833057 [1,1,0,0,0,0|0,1,1]=4 2173 B7R1.2 Cc1cc(N)cs1 Amb22276155 [1,1,0,0,0,0|0,1,1]=4 2174 B7R1.2 Cc1cc(N)no1 Amb532931 [1,1,0,0,0,0|1,0,1]=4 2175 B7R1.2 Cc1cc(N)on1 Amb1156064 [1,1,0,0,0,0|2,0,0]=4 2176 B7R1.2 Cc1cc(O)cs1 Amb24523671 [1,1,0,0,0,0|0,1,1]=4 2177 B7R1.2 Cc1cc(O)no1 Amb2370655 [1,1,0,0,0,0|1,0,1]=4 2178 B7R1.2 Cc1cc(O)on1 Amb22337742 [1,1,0,0,0,0|1,0,1]=4 2179 B7R1.2 Cc1cc(O)on1 Amb4418352 [1,1,0,0,0,0|1,0,1]=4 2180 B7R1.2 Cc1cc(S)cs1 Amb28363926 [1,1,0,0,0,0|0,1,1]=4 2181 B7R1.2 Cc1cc(S)no1 Amb33315953 [1,1,0,0,0,0|1,0,1]=4 2182 B7R1.2 Cc1cc(S)on1 Amb33422693 [1,1,0,0,0,0|1,1,0]=4 2183 B7R1.2 Cc1ccc(Br)o1 Amb10600628 [1,1,0,0,0,0|0,0,1]=3 2184 B7R1.2 Cc1ccc(Br)s1 Amb8383934 [1,1,0,0,0,0|0,1,1]=4 2185 B7R1.2 Cc1ccc(C)o1 Amb2447078 [1,1,0,0,0,0|0,0,1]=3 2186 B7R1.2 Cc1ccc(C)s1 Amb2447067 [1,1,0,0,0,0|0,1,1]=4 2187 B7R1.2 Cc1ccc(Cl)o1 Amb25242029 [1,1,0,0,0,0|0,0,1]=3 2188 B7R1.2 Cc1ccc(Cl)s1 Amb16230980 [1,1,0,0,0,0|0,1,1]=4 2189 B7R1.2 Cc1ccc(F)o1 Amb27397440 [1,1,0,0,0,0|0,0,1]=3 2190 B7R1.2 Cc1ccc(I)o1 Amb25723970 [1,1,0,0,0,0|0,0,1]=3 2191 B7R1.2 Cc1ccc(I)s1 Amb2688858 [1,1,0,0,0,0|0,1,1]=4 2192 B7R1.2 Cc1ccc(N)o1 Amb10600629 [1,1,0,0,0,0|0,0,1]=3 2193 B7R1.2 Cc1ccc(N)s1 Amb19890911 [1,1,0,0,0,0|0,1,1]=4 2194 B7R1.2 Cc1ccc(N)s1 Amb9901860 [1,1,0,0,0,0|0,1,1]=4 2195 B7R1.2 Cc1ccc(O)o1 Amb26645726 [1,1,0,0,0,0|0,0,1]=3 2196 B7R1.2 Cc1ccc(O)s1 Amb17593190 [1,1,0,0,0,0|0,1,1]=4 2197 B7R1.2 Cc1ccc(S)o1 Amb25888543 [1,1,0,0,0,0|0,0,1]=3 2198 B7R1.2 Cc1ccc(S)s1 Amb20623930 [1,1,0,0,0,0|0,1,1]=4 2199 B7R1.2 Cc1cnc(Br)o1 Amb24113164 [1,1,0,0,0,0|1,0,1]=4 2200 B7R1.2 Cc1cnc(Br)o1 Amb25861323 [1,1,0,0,0,0|1,0,1]=4 2201 B7R1.2 Cc1cnc(C)o1 Amb23399817 [1,1,0,0,0,0|1,0,1]=4 2202 B7R1.2 Cc1cnc(Cl)o1 Amb19516434 [1,1,0,0,0,0|1,0,1]=4 2203 B7R1.2 Cc1cnc(Cl)o1 Amb24117495 [1,1,0,0,0,0|1,0,1]=4 2204 B7R1.2 Cc1cnc(I)o1 Amb27757971 [1,1,0,0,0,0|1,0,1]=4 2205 B7R1.2 Cc1cnc(N)o1 Amb18277977 [1,1,0,0,0,0|1,0,1]=4 2206 B7R1.2 Cc1coc(Br)c1 Amb10600631 [1,1,0,0,0,0|1,0,0]=3 2207 B7R1.2 Cc1coc(Br)n1 Amb19958804 [1,1,0,0,0,0|2,0,0]=4 2208 B7R1.2 Cc1coc(Br)n1 Amb32652195 [1,1,0,0,0,0|2,0,0]=4 2209 B7R1.2 Cc1coc(C)n1 Amb15692404 [1,1,0,0,0,0|1,0,1]=4 2210 B7R1.2 Cc1coc(Cl)n1 Amb22728834 [1,1,0,0,0,0|2,0,0]=4 2211 B7R1.2 Cc1coc(Cl)n1 Amb35788441 [1,1,0,0,0,0|2,0,0]=4 2212 B7R1.2 Cc1coc(I)c1 Amb32685628 [1,1,0,0,0,0|1,0,0]=3 2213 B7R1.2 Cc1coc(I)n1 Amb27211088 [1,1,0,0,0,0|2,0,0]=4 2214 B7R1.2 Cc1coc(N)c1 Amb10600632 [1,1,0,0,0,0|1,0,0]=3 2215 B7R1.2 Cc1coc(N)n1 Amb2455669 [1,1,0,0,0,0|2,0,0]=4 2216 B7R1.2 Cc1coc(S)n1 Amb24121247 [1,1,0,0,0,0|1,1,0]=4 2217 B7R1.2 Cc1csc(Br)c1 Amb10600630 [1,1,0,0,0,0|1,1,0]=4 2218 B7R1.2 Cc1csc(C)c1 Amb2447068 [1,1,0,0,0,0|0,1,1]=4 2219 B7R1.2 Cc1csc(Cl)c1 Amb26641847 [1,1,0,0,0,0|1,1,0]=4 2220 B7R1.2 Cc1csc(I)c1 Amb22496053 [1,1,0,0,0,0|1,1,0]=4 2221 B7R1.2 Cc1csc(N)c1 Amb19958131 [1,1,0,0,0,0|1,1,0]=4 2222 B7R1.2 Cc1csc(N)c1 Amb2778988 [1,1,0,0,0,0|1,1,0]=4 2223 B7R1.2 Cc1csc(O)c1 Amb20617904 [1,1,0,0,0,0|0,1,1]=4 2224 B7R1.2 Cc1csc(S)c1 Amb26419420 [1,1,0,0,0,0|0,2,0]=4 2225 B7R1.2 Cc1nc(Br)co1 Amb25727162 [1,1,0,0,0,0|1,0,1]=4 2226 B7R1.2 Cc1nc(N)co1 Amb22011557 [1,1,0,0,0,0|1,0,1]=4 2227 B7R1.2 Cc1ncc(Br)o1 Amb26978784 [1,1,0,0,0,0|1,0,1]=4 2228 B7R1.2 Cc1ncc(I)o1 Amb33803186 [1,1,0,0,0,0|1,0,1]=4 2229 B7R1.2 Cc1ncc(N)o1 Amb18061806 [1,1,0,0,0,0|1,0,1]=4 2230 B7R1.2 Cc1ncc(O)o1 Amb26530422 [1,1,0,0,0,0|1,0,1]=4 2231 B7R1.2 Clc1cc(Br)cs1 Amb10602627 [1,1,0,0,0,0|1,1,0]=4 2232 B7R1.2 Clc1ccc(Br)o1 Amb28122976 [1,1,0,0,0,0|1,0,0]=3 2233 B7R1.2 Clc1ccc(Br)s1 Amb2685041 [1,1,0,0,0,0|1,1,0]=4 2234 B7R1.2 Clc1ccc(Cl)s1 Amb2447120 [1,1,0,0,0,0|1,1,0]=4 2235 B7R1.2 Clc1ccc(I)o1 Amb24752684 [1,1,0,0,0,0|1,0,0]=3 2236 B7R1.2 Clc1ccc(I)s1 Amb20620732 [1,1,0,0,0,0|1,1,0]=4 2237 B7R1.2 Clc1cnc(I)o1 Amb28048246 [1,1,0,0,0,0|2,0,0]=4 2238 B7R1.2 Clc1coc(Cl)c1 Amb26916025 [1,1,0,0,0,0|1,0,0]=3 2239 B7R1.2 Clc1csc(Br)c1 Amb26486652 [1,1,0,0,0,0|1,1,0]=4 2240 B7R1.2 Clc1csc(Cl)c1 Amb24056457 [1,1,0,0,0,0|1,1,0]=4 2241 B7R1.2 FC1=COC(=S)N1 Amb27842398 [1,1,0,0,0,0|1,1,0]=4 2242 B7R1.2 Fc1ccc(Br)o1 Amb18199668 [1,1,0,0,0,0|1,0,0]=3 2243 B7R1.2 Fc1ccc(Br)s1 Amb18193111 [1,1,0,0,0,0|1,1,0]=4 2244 B7R1.2 Fc1ccc(Cl)o1 Amb26862440 [1,1,0,0,0,0|1,0,0]=3 2245 B7R1.2 Fc1ccc(Cl)s1 Amb27191815 [1,1,0,0,0,0|1,1,0]=4 2246 B7R1.2 Fc1ccc(F)o1 Amb27634413 [1,1,0,0,0,0|1,0,0]=3 2247 B7R1.2 Fc1ccc(I)s1 Amb24269146 [1,1,0,0,0,0|1,1,0]=4 2248 B7R1.2 Fc1coc(Br)c1 Amb18199638 [1,1,0,0,0,0|1,0,0]=3 2249 B7R1.2 Fc1coc(F)n1 Amb27246846 [1,1,0,0,0,0|2,0,0]=4 2250 B7R1.2 Fc1csc(Br)c1 Amb18193378 [1,1,0,0,0,0|1,1,0]=4 2251 B7R1.2 Fc1csc(F)c1 Amb24411512 [1,1,0,0,0,0|1,1,0]=4 2252 B7R1.2 Ic1ccc(I)s1 Amb2611731 [1,1,0,0,0,0|1,1,0]=4 2253 B7R1.2 Ic1coc(I)n1 Amb25700929 [1,1,0,0,0,0|2,0,0]=4 2254 B7R1.2 Ic1csc(I)c1 Amb27814436 [1,1,0,0,0,0|1,1,0]=4 2255 B7R1.2 N=C1C=C(N)CO1 Amb27631497 [1,1,0,0,0,0|1,0,1]=4 2256 B7R1.2 N=C1C=C(O)CO1 Amb27445689 [1,1,0,0,0,0|1,0,1]=4 2257 B7R1.2 NC1=CC(=O)CC1 Amb9753541 [1,1,0,0,0,0|1,0,1]=4 2258 B7R1.2 NC1=CC(=O)CS1 Amb22229937 [1,1,0,0,0,0|2,0,0]=4 2259 B7R1.2 NC1=CC(=O)N=N1 Amb4005026 [1,1,0,0,0,0|2,0,0]=4 2260 B7R1.2 NC1=CC(=O)NC1 Amb27454229 [1,1,0,0,0,0|1,0,1]=4 2261 B7R1.2 NC1=CC(=O)NN1 Amb18941269 [1,1,0,0,0,0|2,0,0]=4 2262 B7R1.2 NC1=CC(=O)NO1 Amb20103209 [1,1,0,0,0,0|2,0,0]=4 2263 B7R1.2 NC1=CCC(=O)N1 Amb25757914 [1,1,0,0,0,0|1,0,1]=4 2264 B7R1.2 NC1=NC(=O)ON1 Amb24060381 [1,1,0,0,0,0|2,0,0]=4 2265 B7R1.2 NC1C=CC(=O)C1 Amb27445487 [1,1,0,0,0,0|1,0,1]=4 2266 B7R1.2 Nc1cc(Br)co1 Amb18819119 [1,1,0,0,0,0|1,0,0]=3 2267 B7R1.2 Nc1cc(Br)cs1 Amb18564069 [1,1,0,0,0,0|1,1,0]=4 2268 B7R1.2 Nc1cc(Cl)cs1 Amb23401708 [1,1,0,0,0,0|1,1,0]=4 2269 B7R1.2 Nc1cc(Cl)on1 Amb27633620 [1,1,0,0,0,0|2,0,0]=4 2270 B7R1.2 Nc1cc(N)on1 Amb17622003 [1,1,0,0,0,0|2,0,0]=4 2271 B7R1.2 Nc1cc(N)on1 Amb33549726 [1,1,0,0,0,0|2,0,0]=4 2272 B7R1.2 Nc1cc(O)no1 Amb18941358 [1,1,0,0,0,0|2,0,0]=4 2273 B7R1.2 Nc1cc([O-])no1 Amb30585380 [1,1,0,0,0,0|2,0,0]=4 2274 B7R1.2 Nc1ccc(Br)o1 Amb13884560 [1,1,0,0,0,0|1,0,0]=3 2275 B7R1.2 Nc1ccc(Br)s1 Amb13884559 [1,1,0,0,0,0|1,1,0]=4 2276 B7R1.2 Nc1ccc(Br)s1 Amb20241251 [1,1,0,0,0,0|1,1,0]=4 2277 B7R1.2 Nc1ccc(Cl)o1 Amb25360216 [1,1,0,0,0,0|1,0,0]=3 2278 B7R1.2 Nc1ccc(Cl)s1 Amb18055064 [1,1,0,0,0,0|1,1,0]=4 2279 B7R1.2 Nc1ccc(F)o1 Amb18202898 [1,1,0,0,0,0|1,0,0]=3 2280 B7R1.2 Nc1ccc(F)s1 Amb18202738 [1,1,0,0,0,0|1,1,0]=4 2281 B7R1.2 Nc1ccc(I)o1 Amb25888418 [1,1,0,0,0,0|1,0,0]=3 2282 B7R1.2 Nc1ccc(N)o1 Amb18203063 [1,1,0,0,0,0|1,0,0]=3 2283 B7R1.2 Nc1ccc(N)s1 Amb18203358 [1,1,0,0,0,0|1,1,0]=4 2284 B7R1.2 Nc1ccc(O)o1 Amb24526005 [1,1,0,0,0,0|0,0,1]=3 2285 B7R1.2 Nc1coc(Br)c1 Amb18190961 [1,1,0,0,0,0|1,0,0]=3 2286 B7R1.2 Nc1csc(Br)c1 Amb18648086 [1,1,0,0,0,0|1,1,0]=4 2287 B7R1.2 Nc1csc(Br)c1 Amb19929503 [1,1,0,0,0,0|1,1,0]=4 2288 B7R1.2 Nc1csc(Br)c1 Amb31308081 [1,1,0,0,0,0|1,1,0]=4 2289 B7R1.2 Nc1csc(Cl)c1 Amb22492848 [1,1,0,0,0,0|1,1,0]=4 2290 B7R1.2 Nc1csc(Cl)c1 Amb22757511 [1,1,0,0,0,0|1,1,0]=4 2291 B7R1.2 Nc1csc(I)c1 Amb25788262 [1,1,0,0,0,0|1,1,0]=4 2292 B7R1.2 Nc1ncc(Br)o1 Amb27263501 [1,1,0,0,0,0|2,0,0]=4 2293 B7R1.2 O=C1C=C(Br)CC1 Amb23399816 [1,1,0,0,0,0|1,0,1]=4 2294 B7R1.2 O=C1C=C(Br)CN1 Amb23402184 [1,1,0,0,0,0|1,0,1]=4 2295 B7R1.2 O=C1C=C(Br)CO1 Amb10067500 [1,1,0,0,0,0|0,0,1]=3 2296 B7R1.2 O=C1C=C(Cl)CC1 Amb9753542 [1,1,0,0,0,0|1,0,1]=4 2297 B7R1.2 O=C1C=C(I)CO1 Amb2455617 [1,1,0,0,0,0|0,0,1]=3 2298 B7R1.2 O=C1C=C(O)CC1 Amb9901808 [1,1,0,0,0,0|1,0,1]=4 2299 B7R1.2 O=C1C=C(O)CN1 Amb20623530 [1,1,0,0,0,0|1,0,1]=4 2300 B7R1.2 O=C1C=C(O)CO1 Amb628324 [1,1,0,0,0,0|0,0,1]=3 2301 B7R1.2 O=C1C=C(S)CO1 Amb28323506 [1,1,0,0,0,0|0,0,1]=3 2302 B7R1.2 O=C1C=C(S)CS1 Amb27877546 [1,1,0,0,0,0|0,1,1]=4 2303 B7R1.2 O=C1C=CC(=O)C1 Amb22338203 [1,1,0,0,0,0|1,0,0]=3 2304 B7R1.2 O=C1C=CC(=O)N1 Amb1235242 [1,1,0,0,0,0|1,0,0]=3 2305 B7R1.2 O=C1C=CC(=O)O1 Amb20246531 [1,1,0,0,0,0|0,0,0]=2 2306 B7R1.2 O=C1C=CC(=O)O1 Amb6297783 [1,1,0,0,0,0|0,0,0]=2 2307 B7R1.2 O=C1C=CC(Br)C1 Amb27809803 [1,1,0,0,0,0|1,0,1]=4 2308 B7R1.2 O=C1C=CC(Br)O1 Amb22001603 [1,1,0,0,0,0|0,0,1]=3 2309 B7R1.2 O=C1C=CC(Br)S1 Amb26530759 [1,1,0,0,0,0|0,1,1]=4 2310 B7R1.2 O=C1C=CC(Cl)O1 Amb27760027 [1,1,0,0,0,0|0,0,1]=3 2311 B7R1.2 O=C1C=CC(Cl)S1 Amb28428650 [1,1,0,0,0,0|0,1,1]=4 2312 B7R1.2 O=C1C=CC(F)O1 Amb27778280 [1,1,0,0,0,0|0,0,1]=3 2313 B7R1.2 O=C1C=CC(O)=N1 Amb22552540 [1,1,0,0,0,0|1,0,0]=3 2314 B7R1.2 O=C1C=CC(O)C1 Amb9782767 [1,1,0,0,0,0|1,0,1]=4 2315 B7R1.2 O=C1C=CC(O)N1 Amb27978638 [1,1,0,0,0,0|1,0,1]=4 2316 B7R1.2 O=C1C=CC(O)O1 Amb24544763 [1,1,0,0,0,0|0,0,1]=3 2317 B7R1.2 O=C1C=C[C@@H](O)C1 Amb27256512 [1,1,0,0,0,0|1,0,1]=4 2318 B7R1.2 O=C1C=C[C@H](Cl)C1 Amb27984687 [1,1,0,0,0,0|1,0,1]=4 2319 B7R1.2 O=C1C=C[C@H](O)C1 Amb2694980 [1,1,0,0,0,0|1,0,1]=4 2320 B7R1.2 O=C1CC(=O)ON1 Amb33714889 [1,1,0,0,0,0|1,0,1]=4 2321 B7R1.2 O=C1CC(Br)=CO1 Amb27263920 [1,1,0,0,0,0|0,0,1]=3 2322 B7R1.2 O=C1CC(Cl)=CS1 Amb27239976 [1,1,0,0,0,0|0,1,1]=4 2323 B7R1.2 O=C1CC=C(Br)S1 Amb25961289 [1,1,0,0,0,0|0,1,1]=4 2324 B7R1.2 O=C1CC=C(S)S1 Amb27621600 [1,1,0,0,0,0|0,1,1]=4 2325 B7R1.2 O=C1CCC(=O)O1 Amb2793017 [1,1,0,0,0,0|0,0,2]=4 2326 B7R1.2 O=C1CNC(=O)O1 Amb2695392 [1,1,0,0,0,0|1,0,1]=4 2327 B7R1.2 O=C1CNC(=S)O1 Amb27393154 [1,1,0,0,0,0|1,0,1]=4 2328 B7R1.2 O=C1COC(=O)C1 Amb2721303 [1,1,0,0,0,0|0,0,2]=4 2329 B7R1.2 O=C1COC(=O)N1 Amb1625991 [1,1,0,0,0,0|1,0,1]=4 2330 B7R1.2 O=C1COC(=O)O1 Amb27837383 [1,1,0,0,0,0|1,0,1]=4 2331 B7R1.2 O=C1COC(=O)[N-]1 Amb32656005 [1,1,0,0,0,0|1,0,1]=4 2332 B7R1.2 O=C1NC(=S)CO1 Amb28384997 [1,1,0,0,0,0|1,0,1]=4 2333 B7R1.2 O=C1NC(S)=CO1 Amb27441431 [1,1,0,0,0,0|1,0,0]=3 2334 B7R1.2 O=C1NC(S)=CS1 Amb27972291 [1,1,0,0,0,0|1,1,0]=4 2335 B7R1.2 O=C1NC=C(Cl)S1 Amb28367152 [1,1,0,0,0,0|1,1,0]=4 2336 B7R1.2 O=C1NC=C(I)S1 Amb24623936 [1,1,0,0,0,0|1,1,0]=4 2337 B7R1.2 O=C1NOC(=O)N1 Amb22002584 [1,1,0,0,0,0|2,0,0]=4 2338 B7R1.2 OC1=COC(=S)N1 Amb26915057 [1,1,0,0,0,0|1,1,0]=4 2339 B7R1.2 Oc1cc(Br)co1 Amb33436075 [1,1,0,0,0,0|0,0,1]=3 2340 B7R1.2 Oc1cc(Br)cs1 Amb18819059 [1,1,0,0,0,0|0,1,1]=4 2341 B7R1.2 Oc1cc(Cl)cs1 Amb25888402 [1,1,0,0,0,0|0,1,1]=4 2342 B7R1.2 Oc1cc(Cl)no1 Amb27438670 [1,1,0,0,0,0|1,0,1]=4 2343 B7R1.2 Oc1ccc(Br)o1 Amb18199811 [1,1,0,0,0,0|0,0,1]=3 2344 B7R1.2 Oc1ccc(Br)s1 Amb18055072 [1,1,0,0,0,0|0,1,1]=4 2345 B7R1.2 Oc1ccc(Cl)o1 Amb25723971 [1,1,0,0,0,0|0,0,1]=3 2346 B7R1.2 Oc1ccc(Cl)s1 Amb18055065 [1,1,0,0,0,0|0,1,1]=4 2347 B7R1.2 Oc1ccc(I)o1 Amb25888416 [1,1,0,0,0,0|0,0,1]=3 2348 B7R1.2 Oc1coc(I)n1 Amb35710124 [1,1,0,0,0,0|2,0,0]=4 2349 B7R1.2 Oc1csc(Br)c1 Amb33451893 [1,1,0,0,0,0|1,1,0]=4 2350 B7R1.2 S=C1NC(Cl)=CO1 Amb28255871 [1,1,0,0,0,0|1,1,0]=4 2351 B7R1.2 Sc1cc(Br)cs1 Amb25962064 [1,1,0,0,0,0|0,2,0]=4 2352 B7R1.2 Sc1cc(Cl)cs1 Amb26645411 [1,1,0,0,0,0|0,2,0]=4 2353 B7R1.2 Sc1ccc(Br)s1 Amb24524248 [1,1,0,0,0,0|0,2,0]=4 2354 B7R1.2 Sc1ccc(Cl)s1 Amb24479766 [1,1,0,0,0,0|0,2,0]=4 2355 B7R1.2 Sc1csc(Br)c1 Amb33433579 [1,1,0,0,0,0|1,1,0]=4 2356 B7R1.2 Sc1ncc(Br)o1 Amb27653886 [1,1,0,0,0,0|1,1,0]=4 2357 B7R1.2 [*]c1ccc([*])s1 Amb32414727 [1,1,0,0,0,0|1,1,0]=4 2358 B7R1.2 [2H]c1ccc(Br)o1 Amb10597228 [1,1,0,0,0,0|1,0,0]=3 2359 B7R1.2 [2H]c1ccc(N)o1 Amb10597230 [1,1,0,0,0,0|1,0,0]=3 2360 B7R1.2 [2H]c1ccc(N)s1 Amb10597229 [1,1,0,0,0,0|1,1,0]=4 2361 B7R1.4 Brc1ccoc1Br Amb6366140 [1,1,0,0,0,0|1,0,0]=3 2362 B7R1.4 Brc1ccoc1I Amb26608371 [1,1,0,0,0,0|1,0,0]=3 2363 B7R1.4 Brc1ccsc1Br Amb2237068 [1,1,0,0,0,0|1,1,0]=4 2364 B7R1.4 Brc1ccsc1I Amb20620492 [1,1,0,0,0,0|1,1,0]=4 2365 B7R1.4 Brc1sccc1I Amb20620493 [1,1,0,0,0,0|1,1,0]=4 2366 B7R1.4 C=C1CCOC1=O Amb3941636 [1,1,0,0,0,0|0,0,2]=4 2367 B7R1.4 CC1=CCCC1=O Amb8514958 [1,1,0,0,0,0|1,0,1]=4 2368 B7R1.4 CC1=CCOC1=O Amb16231256 [1,1,0,0,0,0|0,0,1]=3 2369 B7R1.4 CC1C=COC1=O Amb27862334 [1,1,0,0,0,0|0,0,1]=3 2370 B7R1.4 CC1NC=CC1=O Amb28201187 [1,1,0,0,0,0|2,0,0]=4 2371 B7R1.4 CC1OC=CC1=O Amb28053998 [1,1,0,0,0,0|0,0,2]=4 2372 B7R1.4 CN1C=CNC1=O Amb20622459 [1,1,0,0,0,0|2,0,0]=4 2373 B7R1.4 CN1CC=CC1=O Amb22372248 [1,1,0,0,0,0|1,0,1]=4 2374 B7R1.4 CN1NC=CC1=O Amb22002214 [1,1,0,0,0,0|2,0,0]=4 2375 B7R1.4 CN1SC=CC1=O Amb19133167 [1,1,0,0,0,0|2,0,0]=4 2376 B7R1.4 CN1SC=CC1=O Amb20239425 [1,1,0,0,0,0|2,0,0]=4 2377 B7R1.4 CN1SC=CC1=O Amb31289633 [1,1,0,0,0,0|2,0,0]=4 2378 B7R1.4 Cc1cccn1C Amb2447020 [1,1,0,0,0,0|1,0,1]=4 2379 B7R1.4 Cc1ccoc1C Amb8515826 [1,1,0,0,0,0|0,0,1]=3 2380 B7R1.4 Cc1ccoc1O Amb33343228 [1,1,0,0,0,0|0,0,1]=3 2381 B7R1.4 Cc1ccoc1S Amb27613044 [1,1,0,0,0,0|0,1,0]=3 2382 B7R1.4 Cc1ccsc1Br Amb2236394 [1,1,0,0,0,0|1,1,0]=4 2383 B7R1.4 Cc1ccsc1C Amb2447413 [1,1,0,0,0,0|0,1,1]=4 2384 B7R1.4 Cc1ccsc1Cl Amb8396573 [1,1,0,0,0,0|1,1,0]=4 2385 B7R1.4 Cc1ccsc1F Amb27459925 [1,1,0,0,0,0|1,1,0]=4 2386 B7R1.4 Cc1ccsc1I Amb22898804 [1,1,0,0,0,0|1,1,0]=4 2387 B7R1.4 Cc1ccsc1N Amb18679496 [1,1,0,0,0,0|1,1,0]=4 2388 B7R1.4 Cc1ccsc1O Amb24639732 [1,1,0,0,0,0|0,1,1]=4 2389 B7R1.4 Cc1ccsc1S Amb25747282 [1,1,0,0,0,0|0,2,0]=4 2390 B7R1.4 Cc1cnoc1C Amb4007674 [1,1,0,0,0,0|1,0,1]=4 2391 B7R1.4 Cc1cnoc1Cl Amb28313653 [1,1,0,0,0,0|2,0,0]=4 2392 B7R1.4 Cc1cnoc1N Amb18943767 [1,1,0,0,0,0|2,0,0]=4 2393 B7R1.4 Cc1cnoc1O Amb25064746 [1,1,0,0,0,0|1,0,1]=4 2394 B7R1.4 Cc1ncoc1Br Amb26896749 [1,1,0,0,0,0|2,0,0]=4 2395 B7R1.4 Cc1ncoc1Br Amb33546754 [1,1,0,0,0,0|2,0,0]=4 2396 B7R1.4 Cc1ncoc1C Amb22396059 [1,1,0,0,0,0|1,0,1]=4 2397 B7R1.4 Cc1ncoc1N Amb22234804 [1,1,0,0,0,0|2,0,0]=4 2398 B7R1.4 Cc1occc1Br Amb6572125 [1,1,0,0,0,0|0,0,1]=3 2399 B7R1.4 Cc1occc1N Amb18203072 [1,1,0,0,0,0|0,0,1]=3 2400 B7R1.4 Cc1occc1O Amb25178728 [1,1,0,0,0,0|0,0,1]=3 2401 B7R1.4 Cc1occc1S Amb8393173 [1,1,0,0,0,0|0,0,1]=3 2402 B7R1.4 Cc1ocnc1Br Amb24357642 [1,1,0,0,0,0|1,0,1]=4 2403 B7R1.4 Cc1ocnc1Br Amb35748154 [1,1,0,0,0,0|1,0,1]=4 2404 B7R1.4 Cc1oncc1Br Amb18199818 [1,1,0,0,0,0|1,0,1]=4 2405 B7R1.4 Cc1oncc1I Amb2723393 [1,1,0,0,0,0|1,0,1]=4 2406 B7R1.4 Cc1oncc1N Amb18119789 [1,1,0,0,0,0|1,0,1]=4 2407 B7R1.4 Cc1oncc1N Amb20668399 [1,1,0,0,0,0|1,0,1]=4 2408 B7R1.4 Cc1oncc1S Amb33361110 [1,1,0,0,0,0|1,0,1]=4 2409 B7R1.4 Cc1sccc1Br Amb8393327 [1,1,0,0,0,0|0,1,1]=4 2410 B7R1.4 Cc1sccc1Cl Amb27412961 [1,1,0,0,0,0|0,1,1]=4 2411 B7R1.4 Cc1sccc1F Amb27607081 [1,1,0,0,0,0|0,1,1]=4 2412 B7R1.4 Cc1sccc1I Amb27661837 [1,1,0,0,0,0|0,1,1]=4 2413 B7R1.4 Cc1sccc1N Amb18833056 [1,1,0,0,0,0|0,1,1]=4 2414 B7R1.4 Cc1sccc1N Amb22276099 [1,1,0,0,0,0|0,1,1]=4 2415 B7R1.4 Cc1sccc1O Amb26621113 [1,1,0,0,0,0|0,1,1]=4 2416 B7R1.4 Clc1ccsc1Br Amb5720097 [1,1,0,0,0,0|1,1,0]=4 2417 B7R1.4 Clc1ccsc1Cl Amb2694396 [1,1,0,0,0,0|1,1,0]=4 2418 B7R1.4 Clc1ccsc1I Amb25169530 [1,1,0,0,0,0|1,1,0]=4 2419 B7R1.4 Clc1ncoc1Br Amb27968175 [1,1,0,0,0,0|2,0,0]=4 2420 B7R1.4 Clc1ncoc1Cl Amb27224184 [1,1,0,0,0,0|2,0,0]=4 2421 B7R1.4 Clc1sccc1Br Amb2722493 [1,1,0,0,0,0|1,1,0]=4 2422 B7R1.4 Cn1cccc1Br Amb18199426 [1,1,0,0,0,0|2,0,0]=4 2423 B7R1.4 Cn1cccc1Cl Amb25212184 [1,1,0,0,0,0|2,0,0]=4 2424 B7R1.4 Cn1cccc1I Amb24756601 [1,1,0,0,0,0|2,0,0]=4 2425 B7R1.4 Cn1cccc1O Amb27652694 [1,1,0,0,0,0|1,0,1]=4 2426 B7R1.4 Cn1cccc1S Amb25888537 [1,1,0,0,0,0|1,1,0]=4 2427 B7R1.4 Fc1ccoc1Br Amb18199675 [1,1,0,0,0,0|1,0,0]=3 2428 B7R1.4 Fc1ccoc1F Amb27877614 [1,1,0,0,0,0|1,0,0]=3 2429 B7R1.4 Fc1ccsc1Br Amb18522293 [1,1,0,0,0,0|1,1,0]=4 2430 B7R1.4 Fc1ccsc1F Amb24562839 [1,1,0,0,0,0|1,1,0]=4 2431 B7R1.4 Fc1ncoc1F Amb27481861 [1,1,0,0,0,0|2,0,0]=4 2432 B7R1.4 Fc1sccc1Br Amb25802858 [1,1,0,0,0,0|1,1,0]=4 2433 B7R1.4 NC1=CCOC1=O Amb22234102 [1,1,0,0,0,0|0,0,1]=3 2434 B7R1.4 NC1=CNNC1=O Amb24120355 [1,1,0,0,0,0|2,0,0]=4 2435 B7R1.4 NC1=CNNC1=O Amb28827627 [1,1,0,0,0,0|2,0,0]=4 2436 B7R1.4 NC1=CONC1=O Amb18203033 [1,1,0,0,0,0|2,0,0]=4 2437 B7R1.4 Nc1ccoc1Br Amb13884558 [1,1,0,0,0,0|1,0,0]=3 2438 B7R1.4 Nc1ccsc1Br Amb13884557 [1,1,0,0,0,0|1,1,0]=4 2439 B7R1.4 Nc1ccsc1Br Amb33553014 [1,1,0,0,0,0|1,1,0]=4 2440 B7R1.4 Nc1ccsc1Cl Amb24054287 [1,1,0,0,0,0|1,1,0]=4 2441 B7R1.4 Nc1ccsc1Cl Amb25077005 [1,1,0,0,0,0|1,1,0]=4 2442 B7R1.4 Nc1ccsc1F Amb27958934 [1,1,0,0,0,0|1,1,0]=4 2443 B7R1.4 Nc1ncoc1N Amb27421513 [1,1,0,0,0,0|2,0,0]=4 2444 B7R1.4 Nc1ocnc1S Amb27445920 [1,1,0,0,0,0|2,0,0]=4 2445 B7R1.4 Nc1oncc1Br Amb28247892 [1,1,0,0,0,0|2,0,0]=4 2446 B7R1.4 Nc1oncc1Cl Amb24385964 [1,1,0,0,0,0|2,0,0]=4 2447 B7R1.4 Nc1oncc1I Amb25865232 [1,1,0,0,0,0|2,0,0]=4 2448 B7R1.4 Nc1sccc1Br Amb18190889 [1,1,0,0,0,0|1,1,0]=4 2449 B7R1.4 Nc1sccc1Cl Amb23401705 [1,1,0,0,0,0|1,1,0]=4 2450 B7R1.4 Nc1sccc1O Amb26606275 [1,1,0,0,0,0|1,1,0]=4 2451 B7R1.4 O=C1C=CC=C1Br Amb28435335 [1,1,0,0,0,0|1,0,0]=3 2452 B7R1.4 O=C1C=CC=C1O Amb27835626 [1,1,0,0,0,0|1,0,0]=3 2453 B7R1.4 O=C1C=CCC1Cl Amb27482393 [1,1,0,0,0,0|1,0,1]=4 2454 B7R1.4 O=C1C=CCN1O Amb28255915 [1,1,0,0,0,0|1,0,1]=4 2455 B7R1.4 O=C1C=CNC1=O Amb26887753 [1,1,0,0,0,0|1,0,0]=3 2456 B7R1.4 O=C1C=COC1O Amb27638452 [1,1,0,0,0,0|0,0,2]=4 2457 B7R1.4 O=C1CCC=C1Br Amb10067494 [1,1,0,0,0,0|1,0,1]=4 2458 B7R1.4 O=C1CCC=C1I Amb26585706 [1,1,0,0,0,0|1,0,1]=4 2459 B7R1.4 O=C1CCC=C1O Amb17593067 [1,1,0,0,0,0|1,0,1]=4 2460 B7R1.4 O=C1CCOC1=O Amb27849805 [1,1,0,0,0,0|0,0,2]=4 2461 B7R1.4 O=C1CNC=C1O Amb27962752 [1,1,0,0,0,0|2,0,0]=4 2462 B7R1.4 O=C1COC=C1O Amb27838226 [1,1,0,0,0,0|2,0,0]=4 2463 B7R1.4 O=C1N=NC=C1Cl Amb25836875 [1,1,0,0,0,0|2,0,0]=4 2464 B7R1.4 O=C1NC=CN1O Amb26589882 [1,1,0,0,0,0|2,0,0]=4 2465 B7R1.4 O=C1NOC=C1Br Amb24641631 [1,1,0,0,0,0|2,0,0]=4 2466 B7R1.4 O=C1OC=CC1Br Amb22015332 [1,1,0,0,0,0|0,0,1]=3 2467 B7R1.4 O=C1OC=CC1S Amb27624883 [1,1,0,0,0,0|0,0,1]=3 2468 B7R1.4 O=C1OC=C[C@@H]1O Amb27472742 [1,1,0,0,0,0|0,0,1]=3 2469 B7R1.4 O=C1OCC=C1Br Amb10067498 [1,1,0,0,0,0|0,0,1]=3 2470 B7R1.4 O=C1OCC=C1Cl Amb23571857 [1,1,0,0,0,0|0,0,1]=3 2471 B7R1.4 O=C1OCC=C1F Amb28144969 [1,1,0,0,0,0|0,0,1]=3 2472 B7R1.4 O=C1O[Sr]OC1=O Amb22338392 [1,1,0,0,0,0|2,0,0]=4 2473 B7R1.4 O=C1SCC=C1Br Amb27462381 [1,1,0,0,0,0|0,1,1]=4 2474 B7R1.4 Oc1occc1Br Amb18199810 [1,1,0,0,0,0|0,0,1]=3 2475 B7R1.4 Oc1sccc1Br Amb22492529 [1,1,0,0,0,0|0,1,1]=4 2476 B7R1.4 Oc1sccc1Cl Amb25296805 [1,1,0,0,0,0|0,1,1]=4 2477 B7R1.4 Sc1sccc1Br Amb26548900 [1,1,0,0,0,0|0,2,0]=4 2478 B7R1.4 Sc1sccc1Cl Amb27832493 [1,1,0,0,0,0|0,2,0]=4 2479 B7R1.14 CP1(=O)C=CCO1 Amb25345454 [1,1,0,0,0,0|1,0,1]=4 2480 B7R1.14 O=S1(=O)C=CCO1 Amb19957378 [1,1,0,0,0,0|1,0,1]=4 2481 B7R1.8 O=CC1=C(Cl)CC1 Amb28050115 [0,1,0,0,1,0|0,0,2]=4 2482 B7R1.8 O=CC1=CCC1=O Amb27256480 [0,1,0,0,1,0|0,0,1]=3 2483 B7R1.18 CC(=O)C1=CCC1 Amb23453500 [0,1,0,0,1,0|0,0,2]=4 2484 B7R1.18 CC(=O)N1C=CC1 Amb22001815 [0,1,0,0,1,0|1,0,1]=4 2485 B7R1.18 O=C(O)C1=CCC1 Amb17593068 [0,1,0,0,1,0|0,0,2]=4 2486 B7R1.18 O=C([O-])C1=CCC1 Amb34165365 [0,1,0,0,1,0|0,0,2]=4 2487 B9R1.1 C=Cc1ccc(Br)cc1 Amb3940196 [0,1,0,0,0,1|2,0,0]=4 2488 B9R1.1 C=Cc1ccc(Br)cn1 Amb21857299 [0,1,0,0,0,1|2,0,0]=4 2489 B9R1.1 C=Cc1ccc(Br)nc1 Amb23446259 [0,1,0,0,0,1|2,0,0]=4 2490 B9R1.1 C=Cc1ccc(C)cc1 Amb3940476 [0,1,0,0,0,1|2,0,0]=4 2491 B9R1.1 C=Cc1ccc(C)cn1 Amb8388023 [0,1,0,0,0,1|2,0,0]=4 2492 B9R1.1 C=Cc1ccc(C)nc1 Amb28983727 [0,1,0,0,0,1|2,0,0]=4 2493 B9R1.1 C=Cc1ccc(C)nc1 Amb504526 [0,1,0,0,0,1|2,0,0]=4 2494 B9R1.1 C=Cc1ccc(C)nn1 Amb28385312 [0,1,0,0,0,1|2,0,0]=4 2495 B9R1.1 C=Cc1ccc(Cl)cc1 Amb2686460 [0,1,0,0,0,1|2,0,0]=4 2496 B9R1.1 C=Cc1ccc(Cl)cn1 Amb24071183 [0,1,0,0,0,1|2,0,0]=4 2497 B9R1.1 C=Cc1ccc(Cl)nc1 Amb19516435 [0,1,0,0,0,1|2,0,0]=4 2498 B9R1.1 C=Cc1ccc(Cl)nn1 Amb22748864 [0,1,0,0,0,1|2,0,0]=4 2499 B9R1.1 C=Cc1ccc(F)cc1 Amb6297757 [0,1,0,0,0,1|2,0,0]=4 2500 B9R1.1 C=Cc1ccc(F)cn1 Amb26483914 [0,1,0,0,0,1|2,0,0]=4 2501 B9R1.1 C=Cc1ccc(F)nc1 Amb26024604 [0,1,0,0,0,1|2,0,0]=4 2502 B9R1.1 C=Cc1ccc(F)nc1 Amb28984235 [0,1,0,0,0,1|2,0,0]=4 2503 B9R1.1 C=Cc1ccc(I)cc1 Amb22736012 [0,1,0,0,0,1|2,0,0]=4 2504 B9R1.1 C=Cc1ccc(N)cc1 Amb2684524 [0,1,0,0,0,1|2,0,0]=4 2505 B9R1.1 C=Cc1ccc(N)nc1 Amb23446330 [0,1,0,0,0,1|2,0,0]=4 2506 B9R1.1 C=Cc1ccc(O)cc1 Amb10603802 [0,1,0,0,0,1|2,0,0]=4 2507 B9R1.1 C=Cc1ccc(O)cn1 Amb26512884 [0,1,0,0,0,1|2,0,0]=4 2508 B9R1.1 C=Cc1ccc(O)nc1 Amb23446716 [0,1,0,0,0,1|2,0,0]=4 2509 B9R1.1 C=Cc1ccc(S)cc1 Amb27801943 [0,1,0,0,0,1|2,0,0]=4 2510 B9R1.1 C=Cc1cnc(C)cn1 Amb15691848 [0,1,0,0,0,1|2,0,0]=4 2511 B9R1.1 C=Cc1cnc(Cl)cn1 Amb25889730 [0,1,0,0,0,1|2,0,0]=4 2512 B9R1.1 C=Cc1cnc(F)cn1 Amb32682063 [0,1,0,0,0,1|2,0,0]=4 2513 B9R1.1 C=Cc1cnc(O)cn1 Amb27173150 [0,1,0,0,0,1|2,0,0]=4 2514 B9R1.1 C=Cc1ncc(Br)cn1 Amb25303775 [0,1,0,0,0,1|2,0,0]=4 2515 B9R1.1 C=Cc1ncc(C)cn1 Amb32413225 [0,1,0,0,0,1|2,0,0]=4 2516 B9R1.1 C=Cc1ncc(F)cn1 Amb25207602 [0,1,0,0,0,1|2,0,0]=4 2517 B9R1.1 CC=C1C=CC(=O)C=C1 Amb28285289 [0,1,0,0,0,1|2,0,0]=4 2518 B9R1.1 C[n+]1ccc(C=O)cc1 Amb10552785 [0,1,0,0,0,1|1,0,0]=3 2519 B9R1.1 C[n+]1ccc(C=O)cc1 Amb27230600 [0,1,0,0,0,1|1,0,0]=3 2520 B9R1.1 Cc1ccc(C=O)cc1 Amb2447582 [0,1,0,0,0,1|1,0,0]=3 2521 B9R1.1 Cc1ccc(C=O)cn1 Amb10603697 [0,1,0,0,0,1|1,0,0]=3 2522 B9R1.1 Cc1ccc(C=O)nc1 Amb8386307 [0,1,0,0,0,1|1,0,0]=3 2523 B9R1.1 Cc1ccc(C=O)nn1 Amb8010976 [0,1,0,0,0,1|1,0,0]=3 2524 B9R1.1 Cc1ccc(C=S)cc1 Amb22233234 [0,1,0,0,0,1|1,1,0]=4 2525 B9R1.1 Cc1ccc(N=O)cc1 Amb22167394 [0,1,0,0,0,1|2,0,0]=4 2526 B9R1.1 Cc1cnc(C=O)cn1 Amb8010982 [0,1,0,0,0,1|1,0,0]=3 2527 B9R1.1 Cc1cnc(C=O)nc1 Amb8010970 [0,1,0,0,0,1|1,0,0]=3 2528 B9R1.1 Cc1ncc(C=O)cn1 Amb33540014 [0,1,0,0,0,1|2,0,0]=4 2529 B9R1.1 Cc1ncc(C=O)nn1 Amb27632776 [0,1,0,0,0,1|2,0,0]=4 2530 B9R1.1 N#CC1=COC(=O)C=C1 Amb22304830 [0,1,0,0,0,1|1,0,1]=4 2531 B9R1.1 N=Cc1ccc(O)cc1 Amb17593236 [0,1,0,0,0,1|2,0,0]=4 2532 B9R1.1 Nc1ccc(C=O)cc1 Amb17842945 [0,1,0,0,0,1|1,0,0]=3 2533 B9R1.1 Nc1ccc(C=O)cn1 Amb20247831 [0,1,0,0,0,1|1,0,0]=3 2534 B9R1.1 Nc1ccc(C=O)cn1 Amb22436785 [0,1,0,0,0,1|1,0,0]=3 2535 B9R1.1 Nc1ccc(N=O)cc1 Amb17593244 [0,1,0,0,0,1|2,0,0]=4 2536 B9R1.1 Nc1ccc([As]=O)cc1 Amb17608246 [0,1,0,0,0,1|2,0,0]=4 2537 B9R1.1 Nc1cnc(C=O)cn1 Amb33622657 [0,1,0,0,0,1|1,0,0]=3 2538 B9R1.1 Nc1cnc(C=O)nc1 Amb25226484 [0,1,0,0,0,1|1,0,0]=3 2539 B9R1.1 Nc1ncc(C=O)cn1 Amb22234750 [0,1,0,0,0,1|2,0,0]=4 2540 B9R1.1 Nc1ncc(C=O)cn1 Amb837183 [0,1,0,0,0,1|2,0,0]=4 2541 B9R1.1 O=C1C=CC(CO)=CO1 Amb25835811 [0,1,0,0,0,1|0,0,2]=4 2542 B9R1.1 O=CC1=CNC(=O)C=C1 Amb18642085 [0,1,0,0,0,1|1,0,0]=3 2543 B9R1.1 O=CC1=CNC(=O)C=N1 Amb25195744 [0,1,0,0,0,1|1,0,0]=3 2544 B9R1.1 O=CC1=CNC(=O)N=C1 Amb24063042 [0,1,0,0,0,1|2,0,0]=4 2545 B9R1.1 O=CC1=CNC(=O)NC1 Amb27455585 [0,1,0,0,0,1|2,0,0]=4 2546 B9R1.1 O=CC1=CNC(=S)N=C1 Amb26571030 [0,1,0,0,0,1|2,0,0]=4 2547 B9R1.1 O=CC1=NNC(=O)C=C1 Amb18848569 [0,1,0,0,0,1|1,0,0]=3 2548 B9R1.1 O=CC1C=CC(=O)C=C1 Amb28126595 [0,1,0,0,0,1|1,0,1]=4 2549 B9R1.1 O=CN1C=CC(=O)C=C1 Amb28198319 [0,1,0,0,0,1|2,0,0]=4 2550 B9R1.1 O=Cc1cc[n+]([O-])cc1 Amb22338213 [0,1,0,0,0,1|1,0,0]=3 2551 B9R1.1 O=Cc1ccc(Br)cc1 Amb1880872 [0,1,0,0,0,1|1,0,0]=3 2552 B9R1.1 O=Cc1ccc(Br)cn1 Amb2447415 [0,1,0,0,0,1|1,0,0]=3 2553 B9R1.1 O=Cc1ccc(Br)nc1 Amb2447414 [0,1,0,0,0,1|1,0,0]=3 2554 B9R1.1 O=Cc1ccc(Br)nn1 Amb33728713 [0,1,0,0,0,1|1,0,0]=3 2555 B9R1.1 O=Cc1ccc(Cl)cc1 Amb1881691 [0,1,0,0,0,1|1,0,0]=3 2556 B9R1.1 O=Cc1ccc(Cl)cn1 Amb10975428 [0,1,0,0,0,1|1,0,0]=3 2557 B9R1.1 O=Cc1ccc(Cl)nc1 Amb3428033 [0,1,0,0,0,1|1,0,0]=3 2558 B9R1.1 O=Cc1ccc(Cl)nn1 Amb33542507 [0,1,0,0,0,1|1,0,0]=3 2559 B9R1.1 O=Cc1ccc(F)cc1 Amb535148 [0,1,0,0,0,1|1,0,0]=3 2560 B9R1.1 O=Cc1ccc(F)cn1 Amb2447570 [0,1,0,0,0,1|1,0,0]=3 2561 B9R1.1 O=Cc1ccc(F)nc1 Amb2447589 [0,1,0,0,0,1|1,0,0]=3 2562 B9R1.1 O=Cc1ccc(I)cc1 Amb3599093 [0,1,0,0,0,1|1,0,0]=3 2563 B9R1.1 O=Cc1ccc(I)cn1 Amb4561047 [0,1,0,0,0,1|1,0,0]=3 2564 B9R1.1 O=Cc1ccc(O)cc1 Amb1873769 [0,1,0,0,0,1|1,0,0]=3 2565 B9R1.1 O=Cc1ccc(O)cn1 Amb4561049 [0,1,0,0,0,1|1,0,0]=3 2566 B9R1.1 O=Cc1ccc(O)nc1 Amb6384363 [0,1,0,0,0,1|1,0,0]=3 2567 B9R1.1 O=Cc1ccc(S)cc1 Amb18643289 [0,1,0,0,0,1|1,0,0]=3 2568 B9R1.1 O=Cc1cnc(Br)cn1 Amb26848595 [0,1,0,0,0,1|1,0,0]=3 2569 B9R1.1 O=Cc1cnc(Br)nc1 Amb25346680 [0,1,0,0,0,1|2,0,0]=4 2570 B9R1.1 O=Cc1cnc(Cl)cn1 Amb21962170 [0,1,0,0,0,1|1,0,0]=3 2571 B9R1.1 O=Cc1cnc(Cl)nc1 Amb13890624 [0,1,0,0,0,1|2,0,0]=4 2572 B9R1.1 O=Cc1cnc(F)cn1 Amb28071680 [0,1,0,0,0,1|1,0,0]=3 2573 B9R1.1 O=Cc1cnc(F)nc1 Amb28342615 [0,1,0,0,0,1|2,0,0]=4 2574 B9R1.1 O=Cc1cnc(I)nc1 Amb24481675 [0,1,0,0,0,1|2,0,0]=4 2575 B9R1.1 O=Cc1ncc(Br)cn1 Amb21857013 [0,1,0,0,0,1|1,0,0]=3 2576 B9R1.1 O=Cc1ncc(Cl)cn1 Amb22276742 [0,1,0,0,0,1|1,0,0]=3 2577 B9R1.1 O=Cc1ncc(F)cn1 Amb23439727 [0,1,0,0,0,1|1,0,0]=3 2578 B9R1.1 O=Cc1ncc(O)cn1 Amb27393439 [0,1,0,0,0,1|1,0,0]=3 2579 B9R1.1 O=Nc1ccc(Br)cc1 Amb17779258 [0,1,0,0,0,1|2,0,0]=4 2580 B9R1.1 O=Nc1ccc(O)cc1 Amb10071749 [0,1,0,0,0,1|2,0,0]=4 2581 B9R1.1 O=[IH2]c1ccc(Cl)nc1 Amb27667225 [0,1,0,0,0,1|2,0,0]=4 2582 B9R1.2 C=C1C=C(C=O)CCC1 Amb27955260 [0,1,0,0,0,1|1,0,1]=4 2583 B9R1.2 C=CC1=CC=CC(=O)N1 Amb24740217 [0,1,0,0,0,1|2,0,0]=4 2584 B9R1.2 C=CC1=NC(=O)NC=C1 Amb27446019 [0,1,0,0,0,1|2,0,0]=4 2585 B9R1.2 C=CC1CC(=O)C=CO1 Amb22748833 [0,1,0,0,0,1|1,0,1]=4 2586 B9R1.2 C=Cc1cc(Br)ccn1 Amb8384238 [0,1,0,0,0,1|2,0,0]=4 2587 B9R1.2 C=Cc1cc(Cl)ccn1 Amb20248254 [0,1,0,0,0,1|2,0,0]=4 2588 B9R1.2 C=Cc1cc(Cl)cnn1 Amb27199985 [0,1,0,0,0,1|2,0,0]=4 2589 B9R1.2 C=Cc1cc(F)ccn1 Amb33449852 [0,1,0,0,0,1|2,0,0]=4 2590 B9R1.2 C=Cc1cc(O)ccn1 Amb26981946 [0,1,0,0,0,1|2,0,0]=4 2591 B9R1.2 C=Cc1ccc[n+](C)c1 Amb10553005 [0,1,0,0,0,1|2,0,0]=4 2592 B9R1.2 C=Cc1ccc[n+]([O-])c1 Amb25077954 [0,1,0,0,0,1|2,0,0]=4 2593 B9R1.2 C=Cc1cccc(Br)c1 Amb2685487 [0,1,0,0,0,1|2,0,0]=4 2594 B9R1.2 C=Cc1cccc(Br)n1 Amb21857281 [0,1,0,0,0,1|2,0,0]=4 2595 B9R1.2 C=Cc1cccc(C)c1 Amb3940473 [0,1,0,0,0,1|2,0,0]=4 2596 B9R1.2 C=Cc1cccc(C)n1 Amb2695276 [0,1,0,0,0,1|2,0,0]=4 2597 B9R1.2 C=Cc1cccc(Cl)c1 Amb3941483 [0,1,0,0,0,1|2,0,0]=4 2598 B9R1.2 C=Cc1cccc(Cl)n1 Amb22276062 [0,1,0,0,0,1|2,0,0]=4 2599 B9R1.2 C=Cc1cccc(F)c1 Amb3940225 [0,1,0,0,0,1|2,0,0]=4 2600 B9R1.2 C=Cc1cccc(I)c1 Amb22295906 [0,1,0,0,0,1|2,0,0]=4 2601 B9R1.2 C=Cc1cccc(N)c1 Amb21857034 [0,1,0,0,0,1|2,0,0]=4 2602 B9R1.2 C=Cc1cccc(N)n1 Amb25727477 [0,1,0,0,0,1|2,0,0]=4 2603 B9R1.2 C=Cc1cccc(O)c1 Amb17593228 [0,1,0,0,0,1|2,0,0]=4 2604 B9R1.2 C=Cc1ccnc(Br)c1 Amb21857300 [0,1,0,0,0,1|2,0,0]=4 2605 B9R1.2 C=Cc1ccnc(C)c1 Amb24340158 [0,1,0,0,0,1|2,0,0]=4 2606 B9R1.2 C=Cc1ccnc(Cl)c1 Amb25085912 [0,1,0,0,0,1|2,0,0]=4 2607 B9R1.2 C=Cc1ccnc(Cl)n1 Amb24104269 [0,1,0,0,0,1|2,0,0]=4 2608 B9R1.2 C=Cc1cncc(Br)c1 Amb21964484 [0,1,0,0,0,1|2,0,0]=4 2609 B9R1.2 C=Cc1cncc(Br)n1 Amb28292768 [0,1,0,0,0,1|2,0,0]=4 2610 B9R1.2 C=Cc1cncc(C)c1 Amb2695473 [0,1,0,0,0,1|2,0,0]=4 2611 B9R1.2 C=Cc1cncc(C)n1 Amb24366704 [0,1,0,0,0,1|2,0,0]=4 2612 B9R1.2 C=Cc1cncc(Cl)c1 Amb26936177 [0,1,0,0,0,1|2,0,0]=4 2613 B9R1.2 C=Cc1cncc(Cl)n1 Amb33261392 [0,1,0,0,0,1|2,0,0]=4 2614 B9R1.2 C=Cc1cncc(F)c1 Amb27201346 [0,1,0,0,0,1|2,0,0]=4 2615 B9R1.2 C=Cc1cncc(N)c1 Amb25713325 [0,1,0,0,0,1|2,0,0]=4 2616 B9R1.2 C=Cc1cncc(O)c1 Amb26899030 [0,1,0,0,0,1|2,0,0]=4 2617 B9R1.2 C=Cc1cncc(S)c1 Amb27812077 [0,1,0,0,0,1|2,0,0]=4 2618 B9R1.2 C=Cc1nccc(Cl)n1 Amb25335481 [0,1,0,0,0,1|2,0,0]=4 2619 B9R1.2 CC1=CCCC(C=O)O1 Amb27796530 [0,1,0,0,0,1|0,0,2]=4 2620 B9R1.2 CC1OCC=C(C=O)O1 Amb28146469 [0,1,0,0,0,1|0,0,2]=4 2621 B9R1.2 COC1=CC(=O)C=CO1 Amb28245112 [0,1,0,0,0,1|2,0,0]=4 2622 B9R1.2 C[C@@H]1OCC=C(C=O)O1 Amb28285177 [0,1,0,0,0,1|0,0,2]=4 2623 B9R1.2 Cc1cc(C=O)ccn1 Amb16231936 [0,1,0,0,0,1|1,0,0]=3 2624 B9R1.2 Cc1cc(C=O)ccn1 Amb9701813 [0,1,0,0,0,1|1,0,0]=3 2625 B9R1.2 Cc1cc(C=O)cnn1 Amb8010979 [0,1,0,0,0,1|2,0,0]=4 2626 B9R1.2 Cc1cc(C=O)ncn1 Amb33540129 [0,1,0,0,0,1|1,0,0]=3 2627 B9R1.2 Cc1cccc(C=O)c1 Amb2690615 [0,1,0,0,0,1|1,0,0]=3 2628 B9R1.2 Cc1cccc(C=O)n1 Amb2689678 [0,1,0,0,0,1|1,0,0]=3 2629 B9R1.2 Cc1cccc(N=O)c1 Amb25843313 [0,1,0,0,0,1|2,0,0]=4 2630 B9R1.2 Cc1cccc([IH2]=O)c1 Amb25312202 [0,1,0,0,0,1|2,0,0]=4 2631 B9R1.2 Cc1ccnc(C=O)c1 Amb6307702 [0,1,0,0,0,1|1,0,0]=3 2632 B9R1.2 Cc1ccnc(C=O)n1 Amb8010588 [0,1,0,0,0,1|1,0,0]=3 2633 B9R1.2 Cc1cncc(C=O)c1 Amb8396131 [0,1,0,0,0,1|1,0,0]=3 2634 B9R1.2 Cc1cncc(C=O)n1 Amb8010981 [0,1,0,0,0,1|1,0,0]=3 2635 B9R1.2 Cc1cnnc(C=O)c1 Amb8010975 [0,1,0,0,0,1|1,0,0]=3 2636 B9R1.2 Cc1nccc(C=O)n1 Amb8010777 [0,1,0,0,0,1|1,0,0]=3 2637 B9R1.2 Cc1nncc(C=O)n1 Amb18124292 [0,1,0,0,0,1|2,0,0]=4 2638 B9R1.2 Nc1cc(C=O)ccn1 Amb16231973 [0,1,0,0,0,1|1,0,0]=3 2639 B9R1.2 Nc1cccc(C=O)c1 Amb2697309 [0,1,0,0,0,1|1,0,0]=3 2640 B9R1.2 Nc1cccc(C=O)c1 Amb2697312 [0,1,0,0,0,1|1,0,0]=3 2641 B9R1.2 Nc1cccc(C=O)n1 Amb16231443 [0,1,0,0,0,1|1,0,0]=3 2642 B9R1.2 Nc1ccnc(C=O)c1 Amb25072810 [0,1,0,0,0,1|1,0,0]=3 2643 B9R1.2 Nc1cncc(C=O)c1 Amb26600938 [0,1,0,0,0,1|1,0,0]=3 2644 B9R1.2 Nc1nccc(C=O)n1 Amb8630277 [0,1,0,0,0,1|1,0,0]=3 2645 B9R1.2 Nc1nncc(C=O)n1 Amb18832923 [0,1,0,0,0,1|2,0,0]=4 2646 B9R1.2 O=CC1=CC(=O)N=CN1 Amb22396538 [0,1,0,0,0,1|1,0,0]=3 2647 B9R1.2 O=CC1=CC(=O)NN=C1 Amb23400498 [0,1,0,0,0,1|2,0,0]=4 2648 B9R1.2 O=CC1=CC=CC(=O)N1 Amb19882313 [0,1,0,0,0,1|1,0,0]=3 2649 B9R1.2 O=CC1=CC=CC(=O)O1 Amb27481476 [0,1,0,0,0,1|0,0,0]=2 2650 B9R1.2 O=CC1=NC(=O)NC=C1 Amb22499756 [0,1,0,0,0,1|1,0,0]=3 2651 B9R1.2 O=CC1CC=CC(=O)C1 Amb27849044 [0,1,0,0,0,1|1,0,1]=4 2652 B9R1.2 O=CC1CC=CC(=O)O1 Amb18642367 [0,1,0,0,0,1|0,0,1]=3 2653 B9R1.2 O=Cc1cc(Br)ccn1 Amb10602645 [0,1,0,0,0,1|1,0,0]=3 2654 B9R1.2 O=Cc1cc(Br)ncn1 Amb26448666 [0,1,0,0,0,1|1,0,0]=3 2655 B9R1.2 O=Cc1cc(Cl)ccn1 Amb6752031 [0,1,0,0,0,1|1,0,0]=3 2656 B9R1.2 O=Cc1cc(Cl)ncn1 Amb20670858 [0,1,0,0,0,1|1,0,0]=3 2657 B9R1.2 O=Cc1cc(F)ccn1 Amb21963126 [0,1,0,0,0,1|1,0,0]=3 2658 B9R1.2 O=Cc1cc(F)ncn1 Amb27844611 [0,1,0,0,0,1|1,0,0]=3 2659 B9R1.2 O=Cc1cc(O)ccn1 Amb30982669 [0,1,0,0,0,1|1,0,0]=3 2660 B9R1.2 O=Cc1ccc[n+]([O-])c1 Amb22263067 [0,1,0,0,0,1|1,0,0]=3 2661 B9R1.2 O=Cc1cccc(Br)c1 Amb1232086 [0,1,0,0,0,1|1,0,0]=3 2662 B9R1.2 O=Cc1cccc(Br)n1 Amb535786 [0,1,0,0,0,1|1,0,0]=3 2663 B9R1.2 O=Cc1cccc(Cl)c1 Amb2725499 [0,1,0,0,0,1|1,0,0]=3 2664 B9R1.2 O=Cc1cccc(Cl)n1 Amb8383544 [0,1,0,0,0,1|1,0,0]=3 2665 B9R1.2 O=Cc1cccc(F)c1 Amb535197 [0,1,0,0,0,1|1,0,0]=3 2666 B9R1.2 O=Cc1cccc(F)n1 Amb8386828 [0,1,0,0,0,1|1,0,0]=3 2667 B9R1.2 O=Cc1cccc(I)c1 Amb1033003 [0,1,0,0,0,1|1,0,0]=3 2668 B9R1.2 O=Cc1cccc(O)c1 Amb1880871 [0,1,0,0,0,1|1,0,0]=3 2669 B9R1.2 O=Cc1cccc(O)n1 Amb20247934 [0,1,0,0,0,1|1,0,0]=3 2670 B9R1.2 O=Cc1cccc(S)c1 Amb13952077 [0,1,0,0,0,1|1,0,0]=3 2671 B9R1.2 O=Cc1ccnc(Br)c1 Amb2455911 [0,1,0,0,0,1|1,0,0]=3 2672 B9R1.2 O=Cc1ccnc(Cl)c1 Amb22831477 [0,1,0,0,0,1|1,0,0]=3 2673 B9R1.2 O=Cc1ccnc(Cl)c1 Amb2447585 [0,1,0,0,0,1|1,0,0]=3 2674 B9R1.2 O=Cc1ccnc(Cl)n1 Amb26955006 [0,1,0,0,0,1|1,0,0]=3 2675 B9R1.2 O=Cc1ccnc(F)c1 Amb8396130 [0,1,0,0,0,1|1,0,0]=3 2676 B9R1.2 O=Cc1ccnc(F)n1 Amb25287821 [0,1,0,0,0,1|1,0,0]=3 2677 B9R1.2 O=Cc1ccnc(O)c1 Amb2695333 [0,1,0,0,0,1|1,0,0]=3 2678 B9R1.2 O=Cc1cncc(Br)c1 Amb2447305 [0,1,0,0,0,1|1,0,0]=3 2679 B9R1.2 O=Cc1cncc(Br)n1 Amb33744977 [0,1,0,0,0,1|1,0,0]=3 2680 B9R1.2 O=Cc1cncc(Cl)c1 Amb6565107 [0,1,0,0,0,1|1,0,0]=3 2681 B9R1.2 O=Cc1cncc(Cl)n1 Amb21857014 [0,1,0,0,0,1|1,0,0]=3 2682 B9R1.2 O=Cc1cncc(F)c1 Amb2447593 [0,1,0,0,0,1|1,0,0]=3 2683 B9R1.2 O=Cc1cncc(F)c1 Amb33292547 [0,1,0,0,0,1|1,0,0]=3 2684 B9R1.2 O=Cc1cncc(F)n1 Amb22388248 [0,1,0,0,0,1|1,0,0]=3 2685 B9R1.2 O=Cc1cncc(I)c1 Amb6565106 [0,1,0,0,0,1|1,0,0]=3 2686 B9R1.2 O=Cc1cncc(O)c1 Amb19895145 [0,1,0,0,0,1|1,0,0]=3 2687 B9R1.2 O=Cc1cncc(O)n1 Amb28077078 [0,1,0,0,0,1|1,0,0]=3 2688 B9R1.2 O=Cc1cnnc(Br)n1 Amb18188918 [0,1,0,0,0,1|2,0,0]=4 2689 B9R1.2 O=Cc1cnnc(Cl)n1 Amb18202418 [0,1,0,0,0,1|2,0,0]=4 2690 B9R1.2 O=Cc1nccc(Br)n1 Amb28318493 [0,1,0,0,0,1|1,0,0]=3 2691 B9R1.2 O=Cc1nccc(F)n1 Amb25746889 [0,1,0,0,0,1|1,0,0]=3 2692 B9R1.2 O=Nc1cccc(Br)c1 Amb28061595 [0,1,0,0,0,1|2,0,0]=4 2693 B9R1.2 O=Nc1cccc(Cl)c1 Amb28429156 [0,1,0,0,0,1|2,0,0]=4 2694 B9R1.6 C=C(Br)c1ccccc1 Amb8516473 [0,1,0,0,0,1|2,0,0]=4 2695 B9R1.6 C=C(Br)c1ccccn1 Amb2447497 [0,1,0,0,0,1|2,0,0]=4 2696 B9R1.6 C=C(Br)c1ccncc1 Amb24710590 [0,1,0,0,0,1|2,0,0]=4 2697 B9R1.6 C=C(C)c1ccccc1 Amb8394996 [0,1,0,0,0,1|2,0,0]=4 2698 B9R1.6 C=C(C)c1ccccn1 Amb25077592 [0,1,0,0,0,1|2,0,0]=4 2699 B9R1.6 C=C(C)c1cccnc1 Amb26389581 [0,1,0,0,0,1|2,0,0]=4 2700 B9R1.6 C=C(C)c1cccnn1 Amb32641600 [0,1,0,0,0,1|2,0,0]=4 2701 B9R1.6 C=C(C)c1ccncc1 Amb25126374 [0,1,0,0,0,1|2,0,0]=4 2702 B9R1.6 C=C(C)c1cnccn1 Amb26942610 [0,1,0,0,0,1|2,0,0]=4 2703 B9R1.6 C=C(Cl)c1ccccc1 Amb27775278 [0,1,0,0,0,1|2,0,0]=4 2704 B9R1.6 C=C(F)c1ccccc1 Amb22738583 [0,1,0,0,0,1|2,0,0]=4 2705 B9R1.6 C=C(F)c1ccccn1 Amb20248373 [0,1,0,0,0,1|2,0,0]=4 2706 B9R1.6 C=C(F)c1ccncc1 Amb20248442 [0,1,0,0,0,1|2,0,0]=4 2707 B9R1.6 CC(=N)c1cccnc1 Amb22170296 [0,1,0,0,0,1|2,0,0]=4 2708 B9R1.6 CC(=O)C1=COCCO1 Amb20669275 [0,1,0,0,0,1|0,0,2]=4 2709 B9R1.6 CC(=O)C1C=CC=CN1 Amb27849933 [0,1,0,0,0,1|1,0,1]=4 2710 B9R1.6 CC(=O)C1CCC=CO1 Amb24650635 [0,1,0,0,0,1|0,0,2]=4 2711 B9R1.6 CC(=O)[C@H]1CCC=CO1 Amb25349063 [0,1,0,0,0,1|0,0,2]=4 2712 B9R1.6 CC(=O)c1ccccc1 Amb2792761 [0,1,0,0,0,1|1,0,0]=3 2713 B9R1.6 CC(=O)c1ccccn1 Amb932786 [0,1,0,0,0,1|1,0,0]=3 2714 B9R1.6 CC(=O)c1cccnc1 Amb2610530 [0,1,0,0,0,1|1,0,0]=3 2715 B9R1.6 CC(=O)c1cccnn1 Amb20242017 [0,1,0,0,0,1|1,0,0]=3 2716 B9R1.6 CC(=O)c1ccncc1 Amb2792762 [0,1,0,0,0,1|1,0,0]=3 2717 B9R1.6 CC(=O)c1ccncn1 Amb19959228 [0,1,0,0,0,1|1,0,0]=3 2718 B9R1.6 CC(=O)c1ccnnc1 Amb19958070 [0,1,0,0,0,1|2,0,0]=4 2719 B9R1.6 CC(=O)c1cnccn1 Amb2684281 [0,1,0,0,0,1|1,0,0]=3 2720 B9R1.6 CC(=O)c1cncnc1 Amb8631038 [0,1,0,0,0,1|2,0,0]=4 2721 B9R1.6 CC(=O)c1cncnn1 Amb18832971 [0,1,0,0,0,1|2,0,0]=4 2722 B9R1.6 CC(=O)c1cnncn1 Amb18203342 [0,1,0,0,0,1|2,0,0]=4 2723 B9R1.6 CC(=O)c1ncccn1 Amb33534997 [0,1,0,0,0,1|1,0,0]=3 2724 B9R1.6 CC(=O)c1nccnn1 Amb26029644 [0,1,0,0,0,1|2,0,0]=4 2725 B9R1.6 CS(=O)c1ccccc1 Amb8516154 [0,1,0,0,0,1|2,0,0]=4 2726 B9R1.6 CS(=O)c1ccccn1 Amb24562247 [0,1,0,0,0,1|2,0,0]=4 2727 B9R1.6 CS(=O)c1cccnn1 Amb27877101 [0,1,0,0,0,1|2,0,0]=4 2728 B9R1.6 CS(=O)c1cnccn1 Amb27248820 [0,1,0,0,0,1|2,0,0]=4 2729 B9R1.6 CS(=O)c1ncccn1 Amb26603199 [0,1,0,0,0,1|2,0,0]=4 2730 B9R1.6 N=C(/N)c1ccncc1 Amb20243353 [0,1,0,0,0,1|2,0,0]=4 2731 B9R1.6 N=C(Cl)c1ccccc1 Amb28285285 [0,1,0,0,0,1|2,0,0]=4 2732 B9R1.6 N=C(N)c1cc[nH+]cc1 Amb22734887 [0,1,0,0,0,1|2,0,0]=4 2733 B9R1.6 N=C(N)c1ccc[nH+]c1 Amb22166890 [0,1,0,0,0,1|2,0,0]=4 2734 B9R1.6 N=C(N)c1cccc[nH+]1 Amb4004574 [0,1,0,0,0,1|2,0,0]=4 2735 B9R1.6 N=C(N)c1ccccc1 Amb10068704 [0,1,0,0,0,1|2,0,0]=4 2736 B9R1.6 N=C(N)c1ccccc1 Amb2371546 [0,1,0,0,0,1|2,0,0]=4 2737 B9R1.6 N=C(N)c1ccccc1 Amb6337518 [0,1,0,0,0,1|2,0,0]=4 2738 B9R1.6 N=C(N)c1ccccn1 Amb2696370 [0,1,0,0,0,1|2,0,0]=4 2739 B9R1.6 N=C(N)c1ccccn1 Amb2725149 [0,1,0,0,0,1|2,0,0]=4 2740 B9R1.6 N=C(N)c1cccnc1 Amb2695043 [0,1,0,0,0,1|2,0,0]=4 2741 B9R1.6 N=C(N)c1cccnc1 Amb2782187 [0,1,0,0,0,1|2,0,0]=4 2742 B9R1.6 N=C(N)c1cccnn1 Amb27474386 [0,1,0,0,0,1|2,0,0]=4 2743 B9R1.6 N=C(N)c1ccncc1 Amb2695050 [0,1,0,0,0,1|2,0,0]=4 2744 B9R1.6 N=C(N)c1ccncc1 Amb2724144 [0,1,0,0,0,1|2,0,0]=4 2745 B9R1.6 N=C(N)c1ccncc1 Amb34916282 [0,1,0,0,0,1|2,0,0]=4 2746 B9R1.6 N=C(N)c1ccncc1 Amb8630084 [0,1,0,0,0,1|2,0,0]=4 2747 B9R1.6 N=C(N)c1ccncn1 Amb24099639 [0,1,0,0,0,1|2,0,0]=4 2748 B9R1.6 N=C(N)c1ccncn1 Amb28934979 [0,1,0,0,0,1|2,0,0]=4 2749 B9R1.6 N=C(N)c1cnccn1 Amb22489518 [0,1,0,0,0,1|2,0,0]=4 2750 B9R1.6 N=C(N)c1cnccn1 Amb2696373 [0,1,0,0,0,1|2,0,0]=4 2751 B9R1.6 N=C(N)c1cnccn1 Amb6298866 [0,1,0,0,0,1|2,0,0]=4 2752 B9R1.6 N=C(N)c1ncccn1 Amb13951992 [0,1,0,0,0,1|2,0,0]=4 2753 B9R1.6 N=C(N)c1ncccn1 Amb22899134 [0,1,0,0,0,1|2,0,0]=4 2754 B9R1.6 N=C(N)c1ncccn1 Amb8397265 [0,1,0,0,0,1|2,0,0]=4 2755 B9R1.6 N=C(O)c1cnccn1 Amb22166847 [0,1,0,0,0,1|1,0,1]=4 2756 B9R1.6 NC(=O)C1=CC=CNC1 Amb28397885 [0,1,0,0,0,1|1,0,0]=3 2757 B9R1.6 NC(=O)C1=CNC=CC1 Amb24574438 [0,1,0,0,0,1|1,0,0]=3 2758 B9R1.6 NC(=O)C1=COCCO1 Amb24560922 [0,1,0,0,0,1|0,0,2]=4 2759 B9R1.6 NC(=O)[n+]1ccccc1 Amb27806689 [0,1,0,0,0,1|2,0,0]=4 2760 B9R1.6 NC(=O)c1ccc[nH+]c1 Amb8465811 [0,1,0,0,0,1|1,0,0]=3 2761 B9R1.6 NC(=O)c1ccccc1 Amb6399766 [0,1,0,0,0,1|1,0,0]=3 2762 B9R1.6 NC(=O)c1ccccn1 Amb1219876 [0,1,0,0,0,1|1,0,0]=3 2763 B9R1.6 NC(=O)c1cccnc1 Amb2609940 [0,1,0,0,0,1|1,0,0]=3 2764 B9R1.6 NC(=O)c1cccnn1 Amb22499430 [0,1,0,0,0,1|1,0,0]=3 2765 B9R1.6 NC(=O)c1ccncc1 Amb5721989 [0,1,0,0,0,1|1,0,0]=3 2766 B9R1.6 NC(=O)c1ccncn1 Amb24074283 [0,1,0,0,0,1|1,0,0]=3 2767 B9R1.6 NC(=O)c1ccnnc1 Amb22235791 [0,1,0,0,0,1|2,0,0]=4 2768 B9R1.6 NC(=O)c1cnccn1 Amb534509 [0,1,0,0,0,1|1,0,0]=3 2769 B9R1.6 NC(=O)c1cncnc1 Amb5492750 [0,1,0,0,0,1|2,0,0]=4 2770 B9R1.6 NC(=O)c1ncccn1 Amb8631041 [0,1,0,0,0,1|1,0,0]=3 2771 B9R1.6 NC(=O)c1ncncn1 Amb27392150 [0,1,0,0,0,1|2,0,0]=4 2772 B9R1.6 NC(=S)c1ccccc1 Amb6338789 [0,1,0,0,0,1|1,1,0]=4 2773 B9R1.6 NC(=S)c1ccccn1 Amb6316123 [0,1,0,0,0,1|1,1,0]=4 2774 B9R1.6 NC(=S)c1cccnc1 Amb1152408 [0,1,0,0,0,1|1,1,0]=4 2775 B9R1.6 NC(=S)c1cccnn1 Amb10070425 [0,1,0,0,0,1|1,1,0]=4 2776 B9R1.6 NC(=S)c1ccncc1 Amb1397718 [0,1,0,0,0,1|1,1,0]=4 2777 B9R1.6 NC(=S)c1ccncn1 Amb21933379 [0,1,0,0,0,1|1,1,0]=4 2778 B9R1.6 NC(=S)c1cnccn1 Amb2725773 [0,1,0,0,0,1|1,1,0]=4 2779 B9R1.6 NC(=S)c1ncccn1 Amb9486566 [0,1,0,0,0,1|1,1,0]=4 2780 B9R1.6 NC(=[NH2+])c1ccccn1 Amb16233715 [0,1,0,0,0,1|2,0,0]=4 2781 B9R1.6 NS(=O)c1ccccc1 Amb26487323 [0,1,0,0,0,1|2,0,0]=4 2782 B9R1.6 O=C(Br)c1ccccc1 Amb8513573 [0,1,0,0,0,1|1,0,0]=3 2783 B9R1.6 O=C(Cl)C1=CCCOC1 Amb26843141 [0,1,0,0,0,1|0,0,2]=4 2784 B9R1.6 O=C(Cl)C1=COCCO1 Amb10879700 [0,1,0,0,0,1|0,0,2]=4 2785 B9R1.6 O=C(Cl)C1CC=COC1 Amb25189711 [0,1,0,0,0,1|0,0,2]=4 2786 B9R1.6 O=C(Cl)c1cc[nH+]cc1 Amb21952993 [0,1,0,0,0,1|1,0,0]=3 2787 B9R1.6 O=C(Cl)c1ccccc1 Amb3939302 [0,1,0,0,0,1|1,0,0]=3 2788 B9R1.6 O=C(Cl)c1ccccn1 Amb22492448 [0,1,0,0,0,1|1,0,0]=3 2789 B9R1.6 O=C(Cl)c1ccccn1 Amb2690341 [0,1,0,0,0,1|1,0,0]=3 2790 B9R1.6 O=C(Cl)c1ccccn1 Amb3939534 [0,1,0,0,0,1|1,0,0]=3 2791 B9R1.6 O=C(Cl)c1cccnc1 Amb33531191 [0,1,0,0,0,1|1,0,0]=3 2792 B9R1.6 O=C(Cl)c1cccnc1 Amb839669 [0,1,0,0,0,1|1,0,0]=3 2793 B9R1.6 O=C(Cl)c1ccncc1 Amb2707217 [0,1,0,0,0,1|1,0,0]=3 2794 B9R1.6 O=C(Cl)c1ccncc1 Amb2720189 [0,1,0,0,0,1|1,0,0]=3 2795 B9R1.6 O=C(Cl)c1cnccn1 Amb2455965 [0,1,0,0,0,1|1,0,0]=3 2796 B9R1.6 O=C(Cl)c1cncnc1 Amb8009551 [0,1,0,0,0,1|2,0,0]=4 2797 B9R1.6 O=C(F)c1ccccc1 Amb10607152 [0,1,0,0,0,1|1,0,0]=3 2798 B9R1.6 O=C(O)C1=CCCCO1 Amb2700341 [0,1,0,0,0,1|0,0,2]=4 2799 B9R1.6 O=C(O)C1=CCCOC1 Amb19958529 [0,1,0,0,0,1|0,0,2]=4 2800 B9R1.6 O=C(O)C1=CCOC=C1 Amb27860440 [0,1,0,0,0,1|1,0,1]=4 2801 B9R1.6 O=C(O)C1=COCCO1 Amb1106470 [0,1,0,0,0,1|0,0,2]=4 2802 B9R1.6 O=C(O)C1=CSCCO1 Amb20455323 [0,1,0,0,0,1|0,0,2]=4 2803 B9R1.6 O=C(O)C1=NC=CCC1 Amb26865460 [0,1,0,0,0,1|1,0,1]=4 2804 B9R1.6 O=C(O)C1=NCC=CC1 Amb27945577 [0,1,0,0,0,1|1,0,1]=4 2805 B9R1.6 O=C(O)C1C=CCC=C1 Amb17593268 [0,1,0,0,0,1|1,0,1]=4 2806 B9R1.6 O=C(O)C1CC=CCO1 Amb18642584 [0,1,0,0,0,1|0,0,2]=4 2807 B9R1.6 O=C(O)[C@@H]1CC=CC=N1 Amb25968999 [0,1,0,0,0,1|1,0,1]=4 2808 B9R1.6 O=C(O)[C@H]1CCC=CO1 Amb28070479 [0,1,0,0,0,1|0,0,2]=4 2809 B9R1.6 O=C(O)c1ccccc1 Amb1935196 [0,1,0,0,0,1|1,0,0]=3 2810 B9R1.6 O=C(O)c1ccccc1 Amb22002523 [0,1,0,0,0,1|1,0,0]=3 2811 B9R1.6 O=C(O)c1ccccc1 Amb22336602 [0,1,0,0,0,1|1,0,0]=3 2812 B9R1.6 O=C(O)c1ccccc1 Amb22351742 [0,1,0,0,0,1|1,0,0]=3 2813 B9R1.6 O=C(O)c1ccccn1 Amb1227737 [0,1,0,0,0,1|1,0,0]=3 2814 B9R1.6 O=C(O)c1ccccn1 Amb4035065 [0,1,0,0,0,1|1,0,0]=3 2815 B9R1.6 O=C(O)c1cccnc1 Amb1195995 [0,1,0,0,0,1|1,0,0]=3 2816 B9R1.6 O=C(O)c1cccnn1 Amb33544461 [0,1,0,0,0,1|1,0,0]=3 2817 B9R1.6 O=C(O)c1ccncc1 Amb2609990 [0,1,0,0,0,1|1,0,0]=3 2818 B9R1.6 O=C(O)c1ccncn1 Amb1102414 [0,1,0,0,0,1|1,0,0]=3 2819 B9R1.6 O=C(O)c1ccnnc1 Amb2691390 [0,1,0,0,0,1|2,0,0]=4 2820 B9R1.6 O=C(O)c1cnccn1 Amb2455963 [0,1,0,0,0,1|1,0,0]=3 2821 B9R1.6 O=C(O)c1cncnc1 Amb24099331 [0,1,0,0,0,1|2,0,0]=4 2822 B9R1.6 O=C(O)c1cncnc1 Amb33527289 [0,1,0,0,0,1|2,0,0]=4 2823 B9R1.6 O=C(O)c1cncnn1 Amb18832864 [0,1,0,0,0,1|2,0,0]=4 2824 B9R1.6 O=C(O)c1cnncn1 Amb26419787 [0,1,0,0,0,1|2,0,0]=4 2825 B9R1.6 O=C(O)c1ncccn1 Amb19330380 [0,1,0,0,0,1|1,0,0]=3 2826 B9R1.6 O=C(O)c1ncccn1 Amb2720395 [0,1,0,0,0,1|1,0,0]=3 2827 B9R1.6 O=C(O)c1nccnn1 Amb33719343 [0,1,0,0,0,1|2,0,0]=4 2828 B9R1.6 O=C(O)c1nccnn1 Amb8010270 [0,1,0,0,0,1|2,0,0]=4 2829 B9R1.6 O=C(O)c1ncncn1 Amb27760009 [0,1,0,0,0,1|2,0,0]=4 2830 B9R1.6 O=C(S)c1ccccc1 Amb8513358 [0,1,0,0,0,1|1,0,0]=3 2831 B9R1.6 O=C([O-])C1CCC=CO1 Amb22002689 [0,1,0,0,0,1|0,0,2]=4 2832 B9R1.6 O=C([O-])C1CCC=CO1 Amb28935027 [0,1,0,0,0,1|0,0,2]=4 2833 B9R1.6 O=C([O-])c1ccccc1 Amb22053472 [0,1,0,0,0,1|1,0,0]=3 2834 B9R1.6 O=C([O-])c1ccccc1 Amb22168438 [0,1,0,0,0,1|1,0,0]=3 2835 B9R1.6 O=C([O-])c1ccccc1 Amb8387740 [0,1,0,0,0,1|1,0,0]=3 2836 B9R1.6 O=C([O-])c1ccccc1 Amb8513916 [0,1,0,0,0,1|1,0,0]=3 2837 B9R1.6 O=C([O-])c1ccccc1 Amb8517378 [0,1,0,0,0,1|1,0,0]=3 2838 B9R1.6 O=C([O-])c1ccccn1 Amb22058087 [0,1,0,0,0,1|1,0,0]=3 2839 B9R1.6 O=C([O-])c1ccccn1 Amb22734923 [0,1,0,0,0,1|1,0,0]=3 2840 B9R1.6 O=C([O-])c1ccccn1 Amb8393579 [0,1,0,0,0,1|1,0,0]=3 2841 B9R1.6 O=C([O-])c1ccccn1 Amb8393582 [0,1,0,0,0,1|1,0,0]=3 2842 B9R1.6 O=C([O-])c1ccncc1 Amb22730239 [0,1,0,0,0,1|1,0,0]=3 2843 B9R1.6 O=C([O-])c1cnccn1 Amb594440 [0,1,0,0,0,1|1,0,0]=3 2844 B9R1.6 O=C([O-])c1ncccn1 Amb22643200 [0,1,0,0,0,1|1,0,0]=3 2845 B9R1.6 O=C([O-])c1ncccn1 Amb32411832 [0,1,0,0,0,1|1,0,0]=3 2846 B9R1.6 O=I(=O)c1ccccc1 Amb9679129 [0,1,0,0,0,1|2,0,0]=4 2847 B9R1.6 O=N(=O)c1ccncc1 Amb20621911 [0,1,0,0,0,1|2,0,0]=4 2848 B9R1.6 O=S(Cl)c1ccccc1 Amb13881360 [0,1,0,0,0,1|2,0,0]=4 2849 B9R1.6 O=S(O)c1ccccc1 Amb17939345 [0,1,0,0,0,1|2,0,0]=4 2850 B9R1.6 O=S(O)c1cccnc1 Amb24062548 [0,1,0,0,0,1|2,0,0]=4 2851 B9R1.6 O=S(O)c1cccnc1 Amb32674890 [0,1,0,0,0,1|2,0,0]=4 2852 B9R1.6 O=S([O-])c1ccccc1 Amb2684569 [0,1,0,0,0,1|2,0,0]=4 2853 B9R1.6 O=S([O-])c1ccccc1 Amb28536248 [0,1,0,0,0,1|2,0,0]=4 2854 B9R1.6 O=S([O-])c1ccccn1 Amb22751253 [0,1,0,0,0,1|2,0,0]=4 2855 B9R1.6 O=S([O-])c1ccccn1 Amb33212385 [0,1,0,0,0,1|2,0,0]=4 2856 B9R1.6 O=S([O-])c1cccnc1 Amb27872709 [0,1,0,0,0,1|2,0,0]=4 2857 B9R1.6 O=S([O-])c1ccncc1 Amb30982202 [0,1,0,0,0,1|2,0,0]=4 2858 B9R1.6 O=[N+]([O-])c1ccccc1 Amb2793077 [0,1,0,0,0,1|2,0,0]=4 2859 B9R1.6 O=[N+]([O-])c1ccccn1 Amb7774175 [0,1,0,0,0,1|2,0,0]=4 2860 B9R1.6 O=[N+]([O-])c1cccnc1 Amb8516101 [0,1,0,0,0,1|2,0,0]=4 2861 B9R1.6 O=[N+]([O-])c1cccnn1 Amb20669697 [0,1,0,0,0,1|2,0,0]=4 2862 B9R1.6 O=[N+]([O-])c1ccncc1 Amb2610532 [0,1,0,0,0,1|2,0,0]=4 2863 B9R1.6 O=[PH](O)c1ccccc1 Amb3371978 [0,1,0,0,0,1|2,0,0]=4 2864 B9R1.6 O=[Se](O)c1ccccc1 Amb4138617 [0,1,0,0,0,1|2,0,0]=4 2865 B9R1.6 OC(=S)c1ccccc1 Amb17942862 [0,1,0,0,0,1|1,0,1]=4 2866 B9R1.6 OC(=S)c1cccnc1 Amb22731908 [0,1,0,0,0,1|1,0,1]=4 2867 B9R1.6 S=C(Cl)c1ccccc1 Amb25294215 [0,1,0,0,0,1|1,1,0]=4 2868 B9R1.6 S=C(S)c1ccccc1 Amb22051683 [0,1,0,0,0,1|1,1,0]=4 2869 B9R1.6 [CH2-]C(=O)c1ncccn1 Amb27227006 [0,1,0,0,0,1|1,0,0]=3 2870 B9R1.8 Br\C=C/c1ccccc1 Amb24117456 [0,1,0,0,0,1|2,0,0]=4 2871 B9R1.8 Br\C=C/c1ccccn1 Amb25200984 [0,1,0,0,0,1|2,0,0]=4 2872 B9R1.8 Br\C=C/c1cccnc1 Amb24085678 [0,1,0,0,0,1|2,0,0]=4 2873 B9R1.8 Br\C=C\c1ccccc1 Amb3940204 [0,1,0,0,0,1|2,0,0]=4 2874 B9R1.8 Br\C=C\c1ccccn1 Amb33134753 [0,1,0,0,0,1|2,0,0]=4 2875 B9R1.8 Br\C=C\c1cccnc1 Amb33134788 [0,1,0,0,0,1|2,0,0]=4 2876 B9R1.8 Br\C=C\c1ccncc1 Amb27756767 [0,1,0,0,0,1|2,0,0]=4 2877 B9R1.8 C=C=Cc1cnccn1 Amb27966298 [0,1,0,0,0,1|2,0,0]=4 2878 B9R1.8 C=CCc1ccccc1 Amb2599341 [0,1,0,0,0,1|2,0,0]=4 2879 B9R1.8 C=CCc1cccnc1 Amb24477831 [0,1,0,0,0,1|2,0,0]=4 2880 B9R1.8 C=COc1ccccc1 Amb10564213 [0,1,0,0,0,1|2,0,0]=4 2881 B9R1.8 C=COc1cccnc1 Amb24085952 [0,1,0,0,0,1|2,0,0]=4 2882 B9R1.8 C=CSc1ccccc1 Amb8387516 [0,1,0,0,0,1|2,0,0]=4 2883 B9R1.8 C\C=C/c1ccccc1 Amb2690400 [0,1,0,0,0,1|2,0,0]=4 2884 B9R1.8 C\C=C\c1ccccc1 Amb6366726 [0,1,0,0,0,1|2,0,0]=4 2885 B9R1.8 C\C=C\c1cnccn1 Amb27492890 [0,1,0,0,0,1|2,0,0]=4 2886 B9R1.8 C\C=N\c1ccccc1 Amb8392386 [0,1,0,0,0,1|2,0,0]=4 2887 B9R1.8 C\C=N\c1cccnc1 Amb27787691 [0,1,0,0,0,1|2,0,0]=4 2888 B9R1.8 C\C=N\c1ncccn1 Amb27767923 [0,1,0,0,0,1|2,0,0]=4 2889 B9R1.8 C\N=C\c1ccccc1 Amb8513063 [0,1,0,0,0,1|2,0,0]=4 2890 B9R1.8 C\N=C\c1ccncc1 Amb22330508 [0,1,0,0,0,1|2,0,0]=4 2891 B9R1.8 Cl\C=C\c1ccccc1 Amb10572872 [0,1,0,0,0,1|2,0,0]=4 2892 B9R1.8 Cl\C=C\c1cccnc1 Amb27435566 [0,1,0,0,0,1|2,0,0]=4 2893 B9R1.8 F\C=C\c1ccccc1 Amb22641699 [0,1,0,0,0,1|2,0,0]=4 2894 B9R1.8 F\C=C\c1ccccn1 Amb27258216 [0,1,0,0,0,1|2,0,0]=4 2895 B9R1.8 I\C=C\c1ccccc1 Amb24646418 [0,1,0,0,0,1|2,0,0]=4 2896 B9R1.8 N\C=C/c1ccccn1 Amb27443779 [0,1,0,0,0,1|2,0,0]=4 2897 B9R1.8 N\C=C/c1cccnc1 Amb28137814 [0,1,0,0,0,1|2,0,0]=4 2898 B9R1.8 N\C=C/c1ccncc1 Amb24068867 [0,1,0,0,0,1|2,0,0]=4 2899 B9R1.8 N\C=C\c1cccnc1 Amb27776892 [0,1,0,0,0,1|2,0,0]=4 2900 B9R1.8 N\C=C\c1ncccn1 Amb27967499 [0,1,0,0,0,1|2,0,0]=4 2901 B9R1.8 N\C=N\c1ccccc1 Amb10552787 [0,1,0,0,0,1|2,0,0]=4 2902 B9R1.8 N\C=P\c1ccccc1 Amb27643938 [0,1,0,0,0,1|2,0,0]=4 2903 B9R1.8 N\N=C/c1ccncn1 Amb27478364 [0,1,0,0,0,1|2,0,0]=4 2904 B9R1.8 N\N=C\c1ccccc1 Amb31284503 [0,1,0,0,0,1|2,0,0]=4 2905 B9R1.8 N\N=C\c1cccnc1 Amb8485037 [0,1,0,0,0,1|2,0,0]=4 2906 B9R1.8 N\N=C\c1ccncc1 Amb27837636 [0,1,0,0,0,1|2,0,0]=4 2907 B9R1.8 N\N=C\c1cnccn1 Amb28185566 [0,1,0,0,0,1|2,0,0]=4 2908 B9R1.8 O=C=Cc1cccnc1 Amb27425121 [0,1,0,0,0,1|1,0,0]=3 2909 B9R1.8 O=C=Nc1ccccc1 Amb3939417 [0,1,0,0,0,1|1,0,1]=4 2910 B9R1.8 O=C=Nc1ccccn1 Amb9780818 [0,1,0,0,0,1|1,0,1]=4 2911 B9R1.8 O=C=Nc1cccnc1 Amb33532890 [0,1,0,0,0,1|1,0,1]=4 2912 B9R1.8 O=C=Nc1ccncc1 Amb9780817 [0,1,0,0,0,1|1,0,1]=4 2913 B9R1.8 O=C=Nc1ncccn1 Amb10601979 [0,1,0,0,0,1|1,0,1]=4 2914 B9R1.8 O=CCc1ccccc1 Amb3939950 [0,1,0,0,0,1|1,0,0]=3 2915 B9R1.8 O=CCc1ccccn1 Amb17089528 [0,1,0,0,0,1|1,0,0]=3 2916 B9R1.8 O=CCc1cccnc1 Amb8011002 [0,1,0,0,0,1|1,0,0]=3 2917 B9R1.8 O=CCc1ccncc1 Amb17089529 [0,1,0,0,0,1|1,0,0]=3 2918 B9R1.8 O=CCc1cnccn1 Amb25124492 [0,1,0,0,0,1|1,0,0]=3 2919 B9R1.8 O=CCc1cncnc1 Amb24634482 [0,1,0,0,0,1|2,0,0]=4 2920 B9R1.8 O=CCc1ncccn1 Amb24061341 [0,1,0,0,0,1|1,0,0]=3 2921 B9R1.8 O=CNc1ccccc1 Amb2613772 [0,1,0,0,0,1|1,0,0]=3 2922 B9R1.8 O=CNc1ccccn1 Amb3319168 [0,1,0,0,0,1|1,0,0]=3 2923 B9R1.8 O=CNc1cccnc1 Amb4019648 [0,1,0,0,0,1|1,0,0]=3 2924 B9R1.8 O=CNc1cccnn1 Amb29872451 [0,1,0,0,0,1|1,0,0]=3 2925 B9R1.8 O=CNc1ccnnc1 Amb27200081 [0,1,0,0,0,1|2,0,0]=4 2926 B9R1.8 O=COc1ccccc1 Amb22002710 [0,1,0,0,0,1|1,0,0]=3 2927 B9R1.8 O=C\C=C1/N=CC=CN1 Amb28401450 [0,1,0,0,0,1|1,0,0]=3 2928 B9R1.8 O=C\C=C1\C=CC=CN1 Amb24068319 [0,1,0,0,0,1|1,0,0]=3 2929 B9R1.8 O=C\C=C1\C=CNC=N1 Amb24068339 [0,1,0,0,0,1|1,0,0]=3 2930 B9R1.8 O=N\C=C1\C=CNN=C1 Amb27870945 [0,1,0,0,0,1|2,0,0]=4 2931 B9R1.8 O=S=Nc1ccccc1 Amb2720783 [0,1,0,0,0,1|2,0,0]=4 2932 B9R1.8 O\N=C/C1=CNC=CC1 Amb27862035 [0,1,0,0,0,1|1,0,1]=4 2933 B9R1.8 O\N=C/c1ccccc1 Amb6298335 [0,1,0,0,0,1|1,0,1]=4 2934 B9R1.8 O\N=C/c1ccncc1 Amb9821776 [0,1,0,0,0,1|1,0,1]=4 2935 B9R1.8 O\N=C\c1ccccc1 Amb2223191 [0,1,0,0,0,1|1,0,1]=4 2936 B9R1.8 O\N=C\c1ccccn1 Amb719680 [0,1,0,0,0,1|1,0,1]=4 2937 B9R1.8 O\N=C\c1cccnc1 Amb3427823 [0,1,0,0,0,1|1,0,1]=4 2938 B9R1.8 O\N=C\c1cccnn1 Amb23539035 [0,1,0,0,0,1|1,0,1]=4 2939 B9R1.8 O\N=C\c1ccncc1 Amb1793802 [0,1,0,0,0,1|1,0,1]=4 2940 B9R1.8 O\N=C\c1ccncn1 Amb20668794 [0,1,0,0,0,1|1,0,1]=4 2941 B9R1.8 O\N=C\c1cnccn1 Amb27185837 [0,1,0,0,0,1|1,0,1]=4 2942 B9R1.8 S=CNc1ccccc1 Amb25788857 [0,1,0,0,0,1|1,1,0]=4 2943 B9R1.8 S=CNc1cccnc1 Amb27492962 [0,1,0,0,0,1|1,1,0]=4 2944 B9R1.8 [N-]=[N+]=Cc1ccccc1 Amb15692850 [0,1,0,0,0,1|2,0,0]=4 2945 B9R1.8 [N-]=[N+]=Cc1ccccn1 Amb27945596 [0,1,0,0,0,1|2,0,0]=4 2946 B9R1.15 C=CC1=CC=CNC1=O Amb22001879 [0,1,0,0,0,1|2,0,0]=4 2947 B9R1.15 C=Cc1cccc[n+]1[O-] Amb25852532 [0,1,0,0,0,1|2,0,0]=4 2948 B9R1.15 C=Cc1ccccc1Br Amb6365618 [0,1,0,0,0,1|2,0,0]=4 2949 B9R1.15 C=Cc1ccccc1C Amb2695476 [0,1,0,0,0,1|2,0,0]=4 2950 B9R1.15 C=Cc1ccccc1Cl Amb3940227 [0,1,0,0,0,1|2,0,0]=4 2951 B9R1.15 C=Cc1ccccc1F Amb3940550 [0,1,0,0,0,1|2,0,0]=4 2952 B9R1.15 C=Cc1ccccc1I Amb8384620 [0,1,0,0,0,1|2,0,0]=4 2953 B9R1.15 C=Cc1ccccc1N Amb17593221 [0,1,0,0,0,1|2,0,0]=4 2954 B9R1.15 C=Cc1ccccc1N Amb21857764 [0,1,0,0,0,1|2,0,0]=4 2955 B9R1.15 C=Cc1ccccc1O Amb17593227 [0,1,0,0,0,1|2,0,0]=4 2956 B9R1.15 C=Cc1cccnc1Br Amb24709309 [0,1,0,0,0,1|2,0,0]=4 2957 B9R1.15 C=Cc1cccnc1C Amb24432711 [0,1,0,0,0,1|2,0,0]=4 2958 B9R1.15 C=Cc1cccnc1Cl Amb25861398 [0,1,0,0,0,1|2,0,0]=4 2959 B9R1.15 C=Cc1cccnc1F Amb25355017 [0,1,0,0,0,1|2,0,0]=4 2960 B9R1.15 C=Cc1cccnc1N Amb25831150 [0,1,0,0,0,1|2,0,0]=4 2961 B9R1.15 C=Cc1ccncc1Br Amb25889459 [0,1,0,0,0,1|2,0,0]=4 2962 B9R1.15 C=Cc1ccncc1C Amb26856969 [0,1,0,0,0,1|2,0,0]=4 2963 B9R1.15 C=Cc1ccncc1Cl Amb25776658 [0,1,0,0,0,1|2,0,0]=4 2964 B9R1.15 C=Cc1ccncc1F Amb24481861 [0,1,0,0,0,1|2,0,0]=4 2965 B9R1.15 C=Cc1ccncc1O Amb25358569 [0,1,0,0,0,1|2,0,0]=4 2966 B9R1.15 C=Cc1cnccc1C Amb27860156 [0,1,0,0,0,1|2,0,0]=4 2967 B9R1.15 C=Cc1cnccc1F Amb25992933 [0,1,0,0,0,1|2,0,0]=4 2968 B9R1.15 C=Cc1ncccc1C Amb28120463 [0,1,0,0,0,1|2,0,0]=4 2969 B9R1.15 C=Cc1ncccc1F Amb26991382 [0,1,0,0,0,1|2,0,0]=4 2970 B9R1.15 C=Cc1nccnc1Br Amb26079554 [0,1,0,0,0,1|2,0,0]=4 2971 B9R1.15 C=Cc1nccnc1C Amb2695471 [0,1,0,0,0,1|2,0,0]=4 2972 B9R1.15 CC1C=CNC=C1C=O Amb27872192 [0,1,0,0,0,1|1,0,0]=3 2973 B9R1.15 CN1C=CC=CC1C=O Amb27797982 [0,1,0,0,0,1|1,0,1]=4 2974 B9R1.15 COC1=COC=CC1=O Amb25735758 [0,1,0,0,0,1|2,0,0]=4 2975 B9R1.15 C[n+]1ccccc1C=O Amb27862804 [0,1,0,0,0,1|1,0,0]=3 2976 B9R1.15 Cc1ccccc1C=O Amb2725485 [0,1,0,0,0,1|1,0,0]=3 2977 B9R1.15 Cc1ccccc1N=O Amb22233124 [0,1,0,0,0,1|2,0,0]=4 2978 B9R1.15 Cc1cccnc1C=O Amb2447573 [0,1,0,0,0,1|1,0,0]=3 2979 B9R1.15 Cc1ccncc1C=O Amb2447575 [0,1,0,0,0,1|1,0,0]=3 2980 B9R1.15 Cc1ccnnc1C=O Amb8010974 [0,1,0,0,0,1|1,0,0]=3 2981 B9R1.15 Cc1cnccc1C=O Amb2694741 [0,1,0,0,0,1|1,0,0]=3 2982 B9R1.15 Cc1cncnc1C=O Amb8010971 [0,1,0,0,0,1|1,0,0]=3 2983 B9R1.15 Cc1cnncc1C=O Amb8010978 [0,1,0,0,0,1|2,0,0]=4 2984 B9R1.15 Cc1ncccc1C=O Amb10602118 [0,1,0,0,0,1|1,0,0]=3 2985 B9R1.15 Cc1nccnc1C=O Amb8010980 [0,1,0,0,0,1|1,0,0]=3 2986 B9R1.15 Cc1ncncc1C=O Amb8010973 [0,1,0,0,0,1|2,0,0]=4 2987 B9R1.15 Cc1nnccc1C=O Amb8010977 [0,1,0,0,0,1|2,0,0]=4 2988 B9R1.15 Fc1cccnc1C=S Amb27808136 [0,1,0,0,0,1|1,1,0]=4 2989 B9R1.15 N=C1C=CC=C\C1=C\Br Amb27607660 [0,1,0,0,0,1|2,0,0]=4 2990 B9R1.15 N=Cc1ccccc1Cl Amb26046361 [0,1,0,0,0,1|2,0,0]=4 2991 B9R1.15 N=Cc1ccccc1O Amb28382612 [0,1,0,0,0,1|2,0,0]=4 2992 B9R1.15 N\C=C1\C=CC=NC1=O Amb24710475 [0,1,0,0,0,1|2,0,0]=4 2993 B9R1.15 Nc1ccccc1C=O Amb30634288 [0,1,0,0,0,1|1,0,0]=3 2994 B9R1.15 Nc1ccccc1C=O Amb6307282 [0,1,0,0,0,1|1,0,0]=3 2995 B9R1.15 Nc1ccccc1N=O Amb27216714 [0,1,0,0,0,1|2,0,0]=4 2996 B9R1.15 Nc1cccnc1C=O Amb2697303 [0,1,0,0,0,1|1,0,0]=3 2997 B9R1.15 Nc1ccncc1C=O Amb1094063 [0,1,0,0,0,1|1,0,0]=3 2998 B9R1.15 Nc1ccncc1C=O Amb19929570 [0,1,0,0,0,1|1,0,0]=3 2999 B9R1.15 Nc1ccncc1C=O Amb33622703 [0,1,0,0,0,1|1,0,0]=3 3000 B9R1.15 Nc1ccncc1C=O Amb33869903 [0,1,0,0,0,1|1,0,0]=3 3001 B9R1.15 Nc1cnccc1C=O Amb21963531 [0,1,0,0,0,1|1,0,0]=3 3002 B9R1.15 Nc1cnccc1C=O Amb2697296 [0,1,0,0,0,1|1,0,0]=3 3003 B9R1.15 Nc1cncnc1C=O Amb24613857 [0,1,0,0,0,1|1,0,0]=3 3004 B9R1.15 Nc1ncccc1C=O Amb1090876 [0,1,0,0,0,1|1,0,0]=3 3005 B9R1.15 Nc1ncccc1N=O Amb27590255 [0,1,0,0,0,1|2,0,0]=4 3006 B9R1.15 Nc1nccnc1C=O Amb19957741 [0,1,0,0,0,1|1,0,0]=3 3007 B9R1.15 Nc1ncncc1C=O Amb8630111 [0,1,0,0,0,1|2,0,0]=4 3008 B9R1.15 O=CC1=C(Br)CCOC1 Amb27184819 [0,1,0,0,0,1|0,0,2]=4 3009 B9R1.15 O=CC1=CC=CNC1=O Amb18832973 [0,1,0,0,0,1|1,0,0]=3 3010 B9R1.15 O=CC1=CC=NNC1=O Amb23455763 [0,1,0,0,0,1|2,0,0]=4 3011 B9R1.15 O=CC1=CCCOC1Br Amb27879745 [0,1,0,0,0,1|0,0,2]=4 3012 B9R1.15 O=Cc1cccc[n+]1[O-] Amb27434444 [0,1,0,0,0,1|1,0,0]=3 3013 B9R1.15 O=Cc1ccccc1Br Amb2684948 [0,1,0,0,0,1|1,0,0]=3 3014 B9R1.15 O=Cc1ccccc1Cl Amb2387351 [0,1,0,0,0,1|1,0,0]=3 3015 B9R1.15 O=Cc1ccccc1F Amb2688017 [0,1,0,0,0,1|1,0,0]=3 3016 B9R1.15 O=Cc1ccccc1I Amb1207354 [0,1,0,0,0,1|1,0,0]=3 3017 B9R1.15 O=Cc1ccccc1O Amb2792756 [0,1,0,0,0,1|1,0,0]=3 3018 B9R1.15 O=Cc1ccccc1S Amb18643290 [0,1,0,0,0,1|1,0,0]=3 3019 B9R1.15 O=Cc1cccnc1Br Amb2234596 [0,1,0,0,0,1|1,0,0]=3 3020 B9R1.15 O=Cc1cccnc1Cl Amb2418601 [0,1,0,0,0,1|1,0,0]=3 3021 B9R1.15 O=Cc1cccnc1F Amb2447351 [0,1,0,0,0,1|1,0,0]=3 3022 B9R1.15 O=Cc1cccnc1O Amb18642078 [0,1,0,0,0,1|1,0,0]=3 3023 B9R1.15 O=Cc1ccncc1Br Amb2447417 [0,1,0,0,0,1|1,0,0]=3 3024 B9R1.15 O=Cc1ccncc1Cl Amb22728978 [0,1,0,0,0,1|1,0,0]=3 3025 B9R1.15 O=Cc1ccncc1Cl Amb2797644 [0,1,0,0,0,1|1,0,0]=3 3026 B9R1.15 O=Cc1ccncc1Cl Amb34911645 [0,1,0,0,0,1|1,0,0]=3 3027 B9R1.15 O=Cc1ccncc1F Amb33544828 [0,1,0,0,0,1|1,0,0]=3 3028 B9R1.15 O=Cc1ccncc1I Amb27959180 [0,1,0,0,0,1|1,0,0]=3 3029 B9R1.15 O=Cc1ccncc1O Amb2697950 [0,1,0,0,0,1|1,0,0]=3 3030 B9R1.15 O=Cc1ccnnc1Br Amb22284820 [0,1,0,0,0,1|2,0,0]=4 3031 B9R1.15 O=Cc1ccnnc1Cl Amb22284821 [0,1,0,0,0,1|2,0,0]=4 3032 B9R1.15 O=Cc1cnccc1Br Amb13890400 [0,1,0,0,0,1|1,0,0]=3 3033 B9R1.15 O=Cc1cnccc1Br Amb22491437 [0,1,0,0,0,1|1,0,0]=3 3034 B9R1.15 O=Cc1cnccc1Br Amb2447416 [0,1,0,0,0,1|1,0,0]=3 3035 B9R1.15 O=Cc1cnccc1Cl Amb10067841 [0,1,0,0,0,1|1,0,0]=3 3036 B9R1.15 O=Cc1cnccc1Cl Amb22491113 [0,1,0,0,0,1|1,0,0]=3 3037 B9R1.15 O=Cc1cnccc1F Amb20247834 [0,1,0,0,0,1|1,0,0]=3 3038 B9R1.15 O=Cc1cnccc1O Amb20247827 [0,1,0,0,0,1|1,0,0]=3 3039 B9R1.15 O=Cc1cncnc1Br Amb27872455 [0,1,0,0,0,1|2,0,0]=4 3040 B9R1.15 O=Cc1cncnc1Cl Amb18202502 [0,1,0,0,0,1|2,0,0]=4 3041 B9R1.15 O=Cc1ncccc1Br Amb2447550 [0,1,0,0,0,1|1,0,0]=3 3042 B9R1.15 O=Cc1ncccc1Cl Amb10602299 [0,1,0,0,0,1|1,0,0]=3 3043 B9R1.15 O=Cc1ncccc1F Amb2447518 [0,1,0,0,0,1|1,0,0]=3 3044 B9R1.15 O=Cc1ncccc1O Amb22495285 [0,1,0,0,0,1|1,0,0]=3 3045 B9R1.15 O=Cc1ncccc1O Amb2691308 [0,1,0,0,0,1|1,0,0]=3 3046 B9R1.15 O=Cc1nccnc1Br Amb22388478 [0,1,0,0,0,1|1,0,0]=3 3047 B9R1.15 O=Cc1nccnc1Cl Amb8630533 [0,1,0,0,0,1|1,0,0]=3 3048 B9R1.15 O=Cc1nccnc1F Amb22388295 [0,1,0,0,0,1|1,0,0]=3 3049 B9R1.15 O=Cc1nccnc1I Amb23400029 [0,1,0,0,0,1|1,0,0]=3 3050 B9R1.15 O=Cc1nccnc1O Amb28285120 [0,1,0,0,0,1|1,0,0]=3 3051 B9R1.15 O=Cc1ncncc1Br Amb10602877 [0,1,0,0,0,1|1,0,0]=3 3052 B9R1.15 O=Cc1ncncc1Cl Amb18831609 [0,1,0,0,0,1|1,0,0]=3 3053 B9R1.15 O=Cc1ncncc1I Amb22497945 [0,1,0,0,0,1|1,0,0]=3 3054 B9R1.15 O=Nc1ccccc1Cl Amb27252949 [0,1,0,0,0,1|2,0,0]=4 3055 B9R1.15 O=Nc1ccccc1O Amb17593255 [0,1,0,0,0,1|2,0,0]=4 3056 B9R1.15 O=Nc1cccnc1Cl Amb27204274 [0,1,0,0,0,1|2,0,0]=4 3057 B9R1.15 O=Nc1ncccc1O Amb27267943 [0,1,0,0,0,1|2,0,0]=4 3058 B9R1.118 CC1(C=O)C=CC=CC1 Amb27483497 [0,1,0,0,0,1|1,0,1]=4 3059 B9R1.118 NC1(C=O)C=CC=CN1 Amb27180032 [0,1,0,0,0,1|1,0,1]=4 3060 B9R1.7 BrCCc1cc(Br)co1 Amb33431580 [0,2,0,0,0,0|1,0,1]=4 3061 B9R1.7 BrCCc1ccc(Br)o1 Amb26411052 [0,2,0,0,0,0|1,0,1]=4 3062 B9R1.7 Br\C=C\c1ccc(Br)o1 Amb27642770 [0,2,0,0,0,0|1,0,0]=3 3063 B9R1.7 C#CCc1cc(Br)co1 Amb33431276 [0,2,0,0,0,0|1,0,1]=4 3064 B9R1.7 C#CCc1ccc(Br)o1 Amb33452106 [0,2,0,0,0,0|1,0,1]=4 3065 B9R1.7 C#CCc1ccc(C)o1 Amb33317918 [0,2,0,0,0,0|1,0,1]=4 3066 B9R1.7 C#CCc1ccc(Cl)o1 Amb33258631 [0,2,0,0,0,0|1,0,1]=4 3067 B9R1.7 C=C=Cc1ccc(C)s1 Amb27971127 [0,2,0,0,0,0|1,1,0]=4 3068 B9R1.7 C=CCC1C=CC(=O)O1 Amb27453658 [0,2,0,0,0,0|1,0,1]=4 3069 B9R1.7 C=CCc1cc(C)co1 Amb27634170 [0,2,0,0,0,0|1,0,0]=3 3070 B9R1.7 C=CCc1ccc(C)s1 Amb27461401 [0,2,0,0,0,0|1,1,0]=4 3071 B9R1.7 CC1=C\C(=C\C=O)CC1 Amb27792975 [0,2,0,0,0,0|1,0,1]=4 3072 B9R1.7 CCCc1cc(C)co1 Amb28368534 [0,2,0,0,0,0|1,0,1]=4 3073 B9R1.7 CCCc1ccc(Br)o1 Amb24318772 [0,2,0,0,0,0|1,0,1]=4 3074 B9R1.7 CCCc1ccc(C)o1 Amb22339463 [0,2,0,0,0,0|1,0,1]=4 3075 B9R1.7 CCNc1ccc(C)o1 Amb28139626 [0,2,0,0,0,0|1,0,1]=4 3076 B9R1.7 CCOc1cc(C)co1 Amb27796470 [0,2,0,0,0,0|1,0,1]=4 3077 B9R1.7 CCSc1cc(Br)co1 Amb25351967 [0,2,0,0,0,0|1,0,1]=4 3078 B9R1.7 CC\C=C1/C=CC(=O)O1 Amb27185841 [0,2,0,0,0,0|1,0,0]=3 3079 B9R1.7 CC\N=C1\C=CC(=O)O1 Amb27760317 [0,2,0,0,0,0|1,0,1]=4 3080 B9R1.7 CNCc1cc(Cl)co1 Amb23537708 [0,2,0,0,0,0|1,0,1]=4 3081 B9R1.7 CNCc1ccc(Br)o1 Amb1131647 [0,2,0,0,0,0|1,0,1]=4 3082 B9R1.7 CNCc1ccc(C)o1 Amb1105046 [0,2,0,0,0,0|1,0,1]=4 3083 B9R1.7 CNCc1ccc(C)o1 Amb28991328 [0,2,0,0,0,0|1,0,1]=4 3084 B9R1.7 CNCc1ccc(Cl)o1 Amb18523734 [0,2,0,0,0,0|1,0,1]=4 3085 B9R1.7 CNCc1ccc(F)o1 Amb28052847 [0,2,0,0,0,0|1,0,1]=4 3086 B9R1.7 CNCc1ccc(I)o1 Amb9620954 [0,2,0,0,0,0|1,0,1]=4 3087 B9R1.7 CNCc1ccc(N)o1 Amb18101397 [0,2,0,0,0,0|1,0,1]=4 3088 B9R1.7 COCc1cc(C)co1 Amb27441916 [0,2,0,0,0,0|0,0,2]=4 3089 B9R1.7 COCc1ccc(Br)o1 Amb25837821 [0,2,0,0,0,0|0,0,2]=4 3090 B9R1.7 COCc1ccc(O)o1 Amb33146638 [0,2,0,0,0,0|0,0,2]=4 3091 B9R1.7 CSCc1ccc(Br)o1 Amb27768306 [0,2,0,0,0,0|0,1,1]=4 3092 B9R1.7 CSCc1ccc(C)o1 Amb24696980 [0,2,0,0,0,0|0,1,1]=4 3093 B9R1.7 C\C=C\C1=CCC(=O)O1 Amb26429675 [0,2,0,0,0,0|1,0,1]=4 3094 B9R1.7 C\C=C\C1C=CC(=O)O1 Amb25238033 [0,2,0,0,0,0|1,0,1]=4 3095 B9R1.7 C\C=C\c1cc(C)co1 Amb27209260 [0,2,0,0,0,0|1,0,0]=3 3096 B9R1.7 C\C=C\c1ccc(C)o1 Amb27482400 [0,2,0,0,0,0|1,0,0]=3 3097 B9R1.7 C\C=C\c1ccc(Cl)s1 Amb27184514 [0,2,0,0,0,0|1,1,0]=4 3098 B9R1.7 C\N=C/c1ccc(C)o1 Amb27965230 [0,2,0,0,0,0|1,0,0]=3 3099 B9R1.7 C\N=C\c1ccc(C)o1 Amb28140651 [0,2,0,0,0,0|1,0,0]=3 3100 B9R1.7 C\N=C\c1ccc(C)s1 Amb28135871 [0,2,0,0,0,0|1,1,0]=4 3101 B9R1.7 Cc1cc(CC=O)no1 Amb26576964 [0,2,0,0,0,0|2,0,0]=4 3102 B9R1.7 Cc1cc(CC=O)on1 Amb33326733 [0,2,0,0,0,0|1,0,0]=3 3103 B9R1.7 Cc1cc(NC=O)no1 Amb3319175 [0,2,0,0,0,0|2,0,0]=4 3104 B9R1.7 Cc1cc(\C=C\Br)on1 Amb33135276 [0,2,0,0,0,0|2,0,0]=4 3105 B9R1.7 Cc1cc(\C=N\O)on1 Amb27462663 [0,2,0,0,0,0|1,0,1]=4 3106 B9R1.7 Cc1ccc(CC=O)o1 Amb26584704 [0,2,0,0,0,0|0,0,0]=2 3107 B9R1.7 Cc1ccc(CC=O)s1 Amb24679545 [0,2,0,0,0,0|0,1,0]=3 3108 B9R1.7 Cc1ccc(CCBr)o1 Amb26362494 [0,2,0,0,0,0|1,0,1]=4 3109 B9R1.7 Cc1ccc(CCCl)o1 Amb25887328 [0,2,0,0,0,0|1,0,1]=4 3110 B9R1.7 Cc1ccc(CCN)o1 Amb2592358 [0,2,0,0,0,0|1,0,1]=4 3111 B9R1.7 Cc1ccc(CCO)o1 Amb24496246 [0,2,0,0,0,0|0,0,2]=4 3112 B9R1.7 Cc1ccc(CCS)o1 Amb27267502 [0,2,0,0,0,0|0,1,1]=4 3113 B9R1.7 Cc1ccc(CNN)o1 Amb6250978 [0,2,0,0,0,0|1,0,1]=4 3114 B9R1.7 Cc1ccc(CNO)o1 Amb26622400 [0,2,0,0,0,0|0,0,2]=4 3115 B9R1.7 Cc1ccc(CON)o1 Amb24679622 [0,2,0,0,0,0|0,0,2]=4 3116 B9R1.7 Cc1ccc(N=C=O)o1 Amb6744837 [0,2,0,0,0,0|0,0,1]=3 3117 B9R1.7 Cc1ccc(N=C=O)s1 Amb6572349 [0,2,0,0,0,0|0,1,1]=4 3118 B9R1.7 Cc1ccc(\C=C\Br)o1 Amb33134842 [0,2,0,0,0,0|1,0,0]=3 3119 B9R1.7 Cc1ccc(\C=C\Br)s1 Amb33134881 [0,2,0,0,0,0|1,1,0]=4 3120 B9R1.7 Cc1ccc(\C=N/O)o1 Amb25147225 [0,2,0,0,0,0|0,0,1]=3 3121 B9R1.7 Cc1ccc(\C=N\O)o1 Amb6384039 [0,2,0,0,0,0|0,0,1]=3 3122 B9R1.7 Cc1ccc(\C=N\O)s1 Amb2611525 [0,2,0,0,0,0|0,1,1]=4 3123 B9R1.7 Cc1cnc(N=C=O)o1 Amb27438562 [0,2,0,0,0,0|1,0,1]=4 3124 B9R1.7 Cc1cnc(\C=C\Br)o1 Amb33135317 [0,2,0,0,0,0|2,0,0]=4 3125 B9R1.7 Cc1cnn(CC=O)c1 Amb8010799 [0,2,0,0,0,0|2,0,0]=4 3126 B9R1.7 Cc1coc(CC#N)c1 Amb27638239 [0,2,0,0,0,0|1,0,1]=4 3127 B9R1.7 Cc1coc(CCN)c1 Amb18832812 [0,2,0,0,0,0|1,0,1]=4 3128 B9R1.7 Cc1coc(CCO)c1 Amb26849213 [0,2,0,0,0,0|0,0,2]=4 3129 B9R1.7 Cc1coc(\C=C\Br)c1 Amb33135438 [0,2,0,0,0,0|1,0,0]=3 3130 B9R1.7 Cc1coc(\C=N\O)c1 Amb27945602 [0,2,0,0,0,0|0,0,1]=3 3131 B9R1.7 Cc1csc(CC=O)c1 Amb33427149 [0,2,0,0,0,0|0,1,0]=3 3132 B9R1.7 Cc1csc(N=C=O)c1 Amb2723479 [0,2,0,0,0,0|0,1,1]=4 3133 B9R1.7 Cc1csc(\C=N\O)c1 Amb27633459 [0,2,0,0,0,0|0,1,1]=4 3134 B9R1.7 Cc1nc(CC=O)cs1 Amb24099724 [0,2,0,0,0,0|2,0,0]=4 3135 B9R1.7 Cc1ncc(CC=O)s1 Amb26493165 [0,2,0,0,0,0|1,1,0]=4 3136 B9R1.7 Cl\C=C/c1ccc(Cl)s1 Amb27983624 [0,2,0,0,0,0|1,1,0]=4 3137 B9R1.7 Clc1ccc(CCBr)o1 Amb33335921 [0,2,0,0,0,0|1,0,1]=4 3138 B9R1.7 Cn1ccc(CC=O)n1 Amb27811854 [0,2,0,0,0,0|2,0,0]=4 3139 B9R1.7 Cn1ccc(NC=O)c1 Amb25887977 [0,2,0,0,0,0|2,0,0]=4 3140 B9R1.7 Cn1cnc(CC=O)c1 Amb8011504 [0,2,0,0,0,0|2,0,0]=4 3141 B9R1.7 F\C=C\c1ccc(Br)s1 Amb27438579 [0,2,0,0,0,0|1,1,0]=4 3142 B9R1.7 N#CCc1cc(Br)co1 Amb18129572 [0,2,0,0,0,0|1,0,1]=4 3143 B9R1.7 N#CCc1ccc(Br)o1 Amb8837044 [0,2,0,0,0,0|1,0,1]=4 3144 B9R1.7 N#CCc1ccc(Cl)o1 Amb28208689 [0,2,0,0,0,0|1,0,1]=4 3145 B9R1.7 NCCc1cc(Br)co1 Amb25875016 [0,2,0,0,0,0|1,0,1]=4 3146 B9R1.7 NCCc1cc(Cl)co1 Amb18831465 [0,2,0,0,0,0|1,0,1]=4 3147 B9R1.7 NCCc1ccc(Br)o1 Amb20626078 [0,2,0,0,0,0|1,0,1]=4 3148 B9R1.7 NCCc1ccc(Br)o1 Amb6248272 [0,2,0,0,0,0|1,0,1]=4 3149 B9R1.7 NCCc1ccc(Cl)o1 Amb18963970 [0,2,0,0,0,0|1,0,1]=4 3150 B9R1.7 NCCc1ccc(I)o1 Amb26645284 [0,2,0,0,0,0|1,0,1]=4 3151 B9R1.7 NNCc1cc(Br)co1 Amb33431548 [0,2,0,0,0,0|1,0,1]=4 3152 B9R1.7 NNCc1ccc(Br)o1 Amb6246061 [0,2,0,0,0,0|1,0,1]=4 3153 B9R1.7 NNCc1ccc(Cl)o1 Amb26486230 [0,2,0,0,0,0|1,0,1]=4 3154 B9R1.7 NOCc1cc(Br)co1 Amb33431553 [0,2,0,0,0,0|0,0,2]=4 3155 B9R1.7 NOCc1ccc(Br)o1 Amb25032146 [0,2,0,0,0,0|0,0,2]=4 3156 B9R1.7 NOCc1ccc(Cl)o1 Amb33258358 [0,2,0,0,0,0|0,0,2]=4 3157 B9R1.7 N\C=C\c1cc(Cl)no1 Amb24562459 [0,2,0,0,0,0|2,0,0]=4 3158 B9R1.7 N\N=C\c1ccc(Br)s1 Amb9817733 [0,2,0,0,0,0|1,1,0]=4 3159 B9R1.7 N\N=C\c1ccc(Cl)s1 Amb27852352 [0,2,0,0,0,0|1,1,0]=4 3160 B9R1.7 Nc1ncc(CC=O)s1 Amb28066059 [0,2,0,0,0,0|1,1,0]=4 3161 B9R1.7 O=C1C=C\C(=C/C=S)C1 Amb24577808 [0,2,0,0,0,0|1,1,0]=4 3162 B9R1.7 O=C1C=C\C(=C\C=S)C1 Amb27838717 [0,2,0,0,0,0|1,1,0]=4 3163 B9R1.7 O=C=Nc1cc(Br)cs1 Amb18566857 [0,2,0,0,0,0|0,1,1]=4 3164 B9R1.7 O=C=Nc1ccc(Br)o1 Amb33532709 [0,2,0,0,0,0|0,0,1]=3 3165 B9R1.7 O=C=Nc1ccc(Br)s1 Amb6260313 [0,2,0,0,0,0|0,1,1]=4 3166 B9R1.7 O=C=Nc1ccc(Cl)s1 Amb33529863 [0,2,0,0,0,0|0,1,1]=4 3167 B9R1.7 O=CCc1cc(Br)co1 Amb25249614 [0,2,0,0,0,0|0,0,0]=2 3168 B9R1.7 O=CCc1cc(Br)cs1 Amb26495921 [0,2,0,0,0,0|0,1,0]=3 3169 B9R1.7 O=CCc1cc(Cl)cs1 Amb26982645 [0,2,0,0,0,0|0,1,0]=3 3170 B9R1.7 O=CCc1ccc(Br)o1 Amb27870879 [0,2,0,0,0,0|0,0,0]=2 3171 B9R1.7 O=CCc1ccc(Br)s1 Amb24433759 [0,2,0,0,0,0|0,1,0]=3 3172 B9R1.7 O=CCc1ccc(Cl)o1 Amb25174639 [0,2,0,0,0,0|0,0,0]=2 3173 B9R1.7 O=CCc1ccc(Cl)s1 Amb27765092 [0,2,0,0,0,0|0,1,0]=3 3174 B9R1.7 O=CCc1cnc(Cl)s1 Amb22043734 [0,2,0,0,0,0|1,1,0]=4 3175 B9R1.7 O=CCc1csc(Br)c1 Amb24596953 [0,2,0,0,0,0|2,0,0]=4 3176 B9R1.7 O=CCc1csc(Br)n1 Amb25032295 [0,2,0,0,0,0|2,0,0]=4 3177 B9R1.7 O=CCc1csc(Cl)n1 Amb27463344 [0,2,0,0,0,0|2,0,0]=4 3178 B9R1.7 O=CCc1csc(I)n1 Amb27258961 [0,2,0,0,0,0|2,0,0]=4 3179 B9R1.7 O=CCc1ncc(Br)s1 Amb26900287 [0,2,0,0,0,0|1,1,0]=4 3180 B9R1.7 O=CCc1ncc(Cl)s1 Amb28049183 [0,2,0,0,0,0|1,1,0]=4 3181 B9R1.7 O=CCn1cc(O)cn1 Amb18832767 [0,2,0,0,0,0|2,0,0]=4 3182 B9R1.7 O=C\C=C1/C=CC(=O)O1 Amb24334582 [0,2,0,0,0,0|0,0,0]=2 3183 B9R1.7 OCCc1cc(Br)co1 Amb33431360 [0,2,0,0,0,0|0,0,2]=4 3184 B9R1.7 OCCc1ccc(Br)o1 Amb26562124 [0,2,0,0,0,0|0,0,2]=4 3185 B9R1.7 OCCc1ccc(Cl)o1 Amb32747715 [0,2,0,0,0,0|0,0,2]=4 3186 B9R1.7 ONCc1cc(Br)co1 Amb33332972 [0,2,0,0,0,0|0,0,2]=4 3187 B9R1.7 ONCc1ccc(Br)o1 Amb28280516 [0,2,0,0,0,0|0,0,2]=4 3188 B9R1.7 ONCc1ccc(Cl)o1 Amb24449836 [0,2,0,0,0,0|0,0,2]=4 3189 B9R1.7 O\N=C/c1ccc(Br)s1 Amb21811533 [0,2,0,0,0,0|0,1,1]=4 3190 B9R1.7 O\N=C\c1cc(Br)cs1 Amb6341876 [0,2,0,0,0,0|0,1,1]=4 3191 B9R1.7 O\N=C\c1cc(Cl)cs1 Amb27656675 [0,2,0,0,0,0|0,1,1]=4 3192 B9R1.7 O\N=C\c1ccc(Br)o1 Amb2387512 [0,2,0,0,0,0|0,0,1]=3 3193 B9R1.7 O\N=C\c1ccc(Br)s1 Amb2751885 [0,2,0,0,0,0|0,1,1]=4 3194 B9R1.7 O\N=C\c1ccc(Cl)o1 Amb8357988 [0,2,0,0,0,0|0,0,1]=3 3195 B9R1.7 O\N=C\c1ccc(F)s1 Amb19892823 [0,2,0,0,0,0|0,1,1]=4 3196 B9R1.7 O\N=C\c1ccc(I)o1 Amb16239327 [0,2,0,0,0,0|0,0,1]=3 3197 B9R1.7 SCCc1cc(Br)co1 Amb33432206 [0,2,0,0,0,0|0,1,1]=4 3198 B9R1.7 SCCc1ccc(Br)o1 Amb33452201 [0,2,0,0,0,0|0,1,1]=4 3199 B9R1.7 SCCc1ccc(Cl)o1 Amb33258685 [0,2,0,0,0,0|0,1,1]=4 3200 B9R1.7 [C-]#[N+]Cc1cc(Br)co1 Amb33431549 [0,2,0,0,0,0|1,0,1]=4 3201 B9R1.7 [C-]#[N+]Cc1ccc(Br)o1 Amb33451907 [0,2,0,0,0,0|1,0,1]=4 3202 B9R1.7 [C-]#[N+]Cc1ccc(C)o1 Amb1981057 [0,2,0,0,0,0|1,0,1]=4 3203 B9R1.7 [C-]#[N+]Cc1ccc(Cl)o1 Amb33258341 [0,2,0,0,0,0|1,0,1]=4 3204 B9R1.21 C#Cc1ccc(C#C)o1 Amb27265598 [0,2,0,0,0,0|1,0,1]=4 3205 B9R1.21 C#Cc1ccc(C=O)o1 Amb16192466 [0,2,0,0,0,0|0,0,0]=2 3206 B9R1.21 C#Cc1ccc(C=O)s1 Amb16192464 [0,2,0,0,0,0|0,1,0]=3 3207 B9R1.21 C#Cc1ccc(CC)o1 Amb27205080 [0,2,0,0,0,0|1,0,1]=4 3208 B9R1.21 C#Cc1ccc(CN)o1 Amb27588780 [0,2,0,0,0,0|1,0,1]=4 3209 B9R1.21 C#Cc1coc(C=O)c1 Amb28423917 [0,2,0,0,0,0|0,0,0]=2 3210 B9R1.21 C#Cc1csc(C=O)c1 Amb16192469 [0,2,0,0,0,0|0,1,0]=3 3211 B9R1.21 C#Cc1csc(C=O)n1 Amb27464097 [0,2,0,0,0,0|1,1,0]=4 3212 B9R1.21 C=Cc1cc(C#N)cs1 Amb33149231 [0,2,0,0,0,0|1,1,0]=4 3213 B9R1.21 C=Cc1cc(C=O)cs1 Amb25830217 [0,2,0,0,0,0|1,1,0]=4 3214 B9R1.21 C=Cc1cc(CC)cs1 Amb27209603 [0,2,0,0,0,0|1,1,0]=4 3215 B9R1.21 C=Cc1cc(OC)no1 Amb32727397 [0,2,0,0,0,0|2,0,0]=4 3216 B9R1.21 C=Cc1ccc(C#N)s1 Amb26364257 [0,2,0,0,0,0|1,1,0]=4 3217 B9R1.21 C=Cc1ccc(C=O)s1 Amb18643293 [0,2,0,0,0,0|0,1,0]=3 3218 B9R1.21 C=Cc1ccc(OC)s1 Amb27638478 [0,2,0,0,0,0|1,1,0]=4 3219 B9R1.21 C=Cc1cnc(C=O)s1 Amb27640790 [0,2,0,0,0,0|1,1,0]=4 3220 B9R1.21 C=Cc1csc(C=O)c1 Amb28129936 [0,2,0,0,0,0|0,1,0]=3 3221 B9R1.21 C=Cn1ccc(C=O)c1 Amb27409922 [0,2,0,0,0,0|2,0,0]=4 3222 B9R1.21 CCc1cc(C=O)no1 Amb18832855 [0,2,0,0,0,0|2,0,0]=4 3223 B9R1.21 CCc1cc(C=O)on1 Amb10608410 [0,2,0,0,0,0|1,0,0]=3 3224 B9R1.21 CCc1cc(CN)co1 Amb29864682 [0,2,0,0,0,0|1,0,1]=4 3225 B9R1.21 CCc1cc(CO)co1 Amb28399121 [0,2,0,0,0,0|1,0,1]=4 3226 B9R1.21 CCc1ccc(C#N)o1 Amb10574576 [0,2,0,0,0,0|1,0,1]=4 3227 B9R1.21 CCc1ccc(C=O)o1 Amb844097 [0,2,0,0,0,0|0,0,0]=2 3228 B9R1.21 CCc1ccc(C=O)s1 Amb2722496 [0,2,0,0,0,0|0,1,0]=3 3229 B9R1.21 CCc1ccc(CC)o1 Amb27221509 [0,2,0,0,0,0|1,0,1]=4 3230 B9R1.21 CCc1ccc(CN)o1 Amb18960153 [0,2,0,0,0,0|1,0,1]=4 3231 B9R1.21 CCc1ccc(CS)o1 Amb24367663 [0,2,0,0,0,0|0,1,1]=4 3232 B9R1.21 CCc1ccc(NC)o1 Amb27955653 [0,2,0,0,0,0|1,0,1]=4 3233 B9R1.21 CCc1ccc(OC)o1 Amb25229999 [0,2,0,0,0,0|1,0,1]=4 3234 B9R1.21 CCc1cnc(C=O)o1 Amb8011201 [0,2,0,0,0,0|1,0,0]=3 3235 B9R1.21 CCc1cnc(C=O)s1 Amb25934232 [0,2,0,0,0,0|1,1,0]=4 3236 B9R1.21 CCc1coc(C=O)c1 Amb18673932 [0,2,0,0,0,0|0,0,0]=2 3237 B9R1.21 CCc1coc(CS)c1 Amb27960882 [0,2,0,0,0,0|0,1,1]=4 3238 B9R1.21 CCc1csc(C=O)n1 Amb10602725 [0,2,0,0,0,0|1,1,0]=4 3239 B9R1.21 CCc1nc(C=O)co1 Amb25679095 [0,2,0,0,0,0|2,0,0]=4 3240 B9R1.21 CCc1nc(C=O)cs1 Amb2592283 [0,2,0,0,0,0|2,0,0]=4 3241 B9R1.21 CCc1ncc(C=O)o1 Amb17399800 [0,2,0,0,0,0|1,0,0]=3 3242 B9R1.21 CCc1ncc(C=O)s1 Amb19514527 [0,2,0,0,0,0|1,1,0]=4 3243 B9R1.21 CCc1nnc(C=O)o1 Amb25842963 [0,2,0,0,0,0|2,0,0]=4 3244 B9R1.21 CCn1ccc(C=O)c1 Amb24417132 [0,2,0,0,0,0|2,0,0]=4 3245 B9R1.21 CCn1ccc(C=O)n1 Amb1945724 [0,2,0,0,0,0|2,0,0]=4 3246 B9R1.21 CCn1cnc(C=O)c1 Amb18642190 [0,2,0,0,0,0|2,0,0]=4 3247 B9R1.21 CNc1cc(SC)co1 Amb27212560 [0,2,0,0,0,0|2,0,0]=4 3248 B9R1.21 CNc1ccc(N=O)s1 Amb27963222 [0,2,0,0,0,0|1,1,0]=4 3249 B9R1.21 CNc1ncc(C=O)s1 Amb28197038 [0,2,0,0,0,0|1,1,0]=4 3250 B9R1.21 COC1C=C\C(=C/Cl)O1 Amb28320713 [0,2,0,0,0,0|1,0,1]=4 3251 B9R1.21 COc1cc(C=O)cs1 Amb18643873 [0,2,0,0,0,0|2,0,0]=4 3252 B9R1.21 COc1cc(C=O)on1 Amb24331446 [0,2,0,0,0,0|1,0,0]=3 3253 B9R1.21 COc1cc(C=O)sn1 Amb26845461 [0,2,0,0,0,0|1,1,0]=4 3254 B9R1.21 COc1ccc(C#N)o1 Amb26981933 [0,2,0,0,0,0|1,0,1]=4 3255 B9R1.21 COc1ccc(C=O)o1 Amb18832781 [0,2,0,0,0,0|0,0,0]=2 3256 B9R1.21 COc1ccc(C=O)s1 Amb17593592 [0,2,0,0,0,0|0,1,0]=3 3257 B9R1.21 COc1ccc(CS)o1 Amb27867382 [0,2,0,0,0,0|0,1,1]=4 3258 B9R1.21 COc1ccc(OC)o1 Amb22295890 [0,2,0,0,0,0|2,0,0]=4 3259 B9R1.21 COc1coc(C=O)c1 Amb18832782 [0,2,0,0,0,0|0,0,0]=2 3260 B9R1.21 COc1coc(CS)c1 Amb24402337 [0,2,0,0,0,0|0,1,1]=4 3261 B9R1.21 COc1csc(C=O)c1 Amb18202589 [0,2,0,0,0,0|0,1,0]=3 3262 B9R1.21 COc1nc(C=O)cs1 Amb24099740 [0,2,0,0,0,0|2,0,0]=4 3263 B9R1.21 COc1ncc(C=O)s1 Amb2592075 [0,2,0,0,0,0|1,1,0]=4 3264 B9R1.21 CSc1cc(C=O)cs1 Amb18680675 [0,2,0,0,0,0|2,0,0]=4 3265 B9R1.21 CSc1ccc(C=O)o1 Amb18643872 [0,2,0,0,0,0|0,0,0]=2 3266 B9R1.21 CSc1ccc(C=O)s1 Amb2725774 [0,2,0,0,0,0|0,1,0]=3 3267 B9R1.21 CSc1ccc(CN)o1 Amb18908342 [0,2,0,0,0,0|1,0,1]=4 3268 B9R1.21 CSc1ccc(CN)o1 Amb31156141 [0,2,0,0,0,0|1,0,1]=4 3269 B9R1.21 CSc1ccc(N=O)s1 Amb27438625 [0,2,0,0,0,0|1,1,0]=4 3270 B9R1.21 CSc1cnc(C=O)s1 Amb32660578 [0,2,0,0,0,0|1,1,0]=4 3271 B9R1.21 CSc1csc(C=O)c1 Amb27947693 [0,2,0,0,0,0|0,1,0]=3 3272 B9R1.21 N#Cc1cc(C=O)co1 Amb18833001 [0,2,0,0,0,0|1,0,1]=4 3273 B9R1.21 N#Cc1cc(C=O)cs1 Amb18124490 [0,2,0,0,0,0|2,0,0]=4 3274 B9R1.21 N#Cc1ccc(C#N)o1 Amb22734014 [0,2,0,0,0,0|1,0,1]=4 3275 B9R1.21 N#Cc1ccc(C=O)o1 Amb18124285 [0,2,0,0,0,0|0,0,0]=2 3276 B9R1.21 N#Cc1ccc(C=O)s1 Amb10982493 [0,2,0,0,0,0|0,1,0]=3 3277 B9R1.21 N#Cc1ccc(CBr)o1 Amb4136328 [0,2,0,0,0,0|1,0,1]=4 3278 B9R1.21 N#Cc1ccc(CCl)o1 Amb18643781 [0,2,0,0,0,0|1,0,1]=4 3279 B9R1.21 N#Cc1ccc(CN)o1 Amb18251086 [0,2,0,0,0,0|1,0,1]=4 3280 B9R1.21 N#Cc1ccc(CN)o1 Amb20241075 [0,2,0,0,0,0|1,0,1]=4 3281 B9R1.21 N#Cc1ccc(CO)o1 Amb18642081 [0,2,0,0,0,0|0,0,2]=4 3282 B9R1.21 N#Cc1ccc(CS)o1 Amb28292744 [0,2,0,0,0,0|0,1,1]=4 3283 B9R1.21 N#Cc1coc(C=O)c1 Amb18833002 [0,2,0,0,0,0|0,0,0]=2 3284 B9R1.21 N#Cc1coc(CCl)c1 Amb18124601 [0,2,0,0,0,0|1,0,1]=4 3285 B9R1.21 N#Cc1coc(CN)c1 Amb20241197 [0,2,0,0,0,0|1,0,1]=4 3286 B9R1.21 N#Cc1coc(CS)c1 Amb28041389 [0,2,0,0,0,0|0,1,1]=4 3287 B9R1.21 N#Cc1csc(C=O)c1 Amb18124480 [0,2,0,0,0,0|0,1,0]=3 3288 B9R1.21 N#Cc1csc(C=O)n1 Amb24099733 [0,2,0,0,0,0|1,1,0]=4 3289 B9R1.21 N#Cc1nc(C=O)cs1 Amb27601254 [0,2,0,0,0,0|2,0,0]=4 3290 B9R1.21 N#Cc1ncc(C=O)s1 Amb34146241 [0,2,0,0,0,0|1,1,0]=4 3291 B9R1.21 NCc1ccc(CN)o1 Amb17609504 [0,2,0,0,0,0|1,0,1]=4 3292 B9R1.21 NCc1ccc(CO)o1 Amb33544862 [0,2,0,0,0,0|0,0,2]=4 3293 B9R1.21 NCc1csc(C=O)c1 Amb35733325 [0,2,0,0,0,0|0,1,0]=3 3294 B9R1.21 O=CC1=CC=C(CO)C1 Amb28342387 [0,2,0,0,0,0|1,0,0]=3 3295 B9R1.21 O=Cc1cc(CCl)cs1 Amb1102126 [0,2,0,0,0,0|0,1,0]=3 3296 B9R1.21 O=Cc1cc(CO)cs1 Amb27658843 [0,2,0,0,0,0|0,1,0]=3 3297 B9R1.21 O=Cc1ccc(C=O)o1 Amb8388343 [0,2,0,0,0,0|0,0,0]=2 3298 B9R1.21 O=Cc1ccc(C=O)s1 Amb587984 [0,2,0,0,0,0|0,1,0]=3 3299 B9R1.21 O=Cc1ccc(CCl)o1 Amb6888398 [0,2,0,0,0,0|0,0,0]=2 3300 B9R1.21 O=Cc1ccc(CO)o1 Amb2715062 [0,2,0,0,0,0|0,0,0]=2 3301 B9R1.21 O=Cc1ccc(CO)s1 Amb18643874 [0,2,0,0,0,0|0,1,0]=3 3302 B9R1.21 O=Cc1cnc(CF)s1 Amb28435326 [0,2,0,0,0,0|1,1,0]=4 3303 B9R1.21 O=Cc1coc(C=O)c1 Amb22170483 [0,2,0,0,0,0|0,0,0]=2 3304 B9R1.21 O=Cc1csc(C=O)c1 Amb1102128 [0,2,0,0,0,0|0,1,0]=3 3305 B9R1.21 O=Cc1csc(CBr)n1 Amb27643335 [0,2,0,0,0,0|2,0,0]=4 3306 B9R1.21 O=Cc1csc(CO)n1 Amb8011549 [0,2,0,0,0,0|2,0,0]=4 3307 B9R1.21 O=Cc1nc(CF)co1 Amb28246121 [0,2,0,0,0,0|1,0,0]=3 3308 B9R1.21 O=Cc1nc(CF)cs1 Amb27958530 [0,2,0,0,0,0|1,1,0]=4 3309 B9R1.21 O=Cc1nc(CO)cs1 Amb25684695 [0,2,0,0,0,0|1,1,0]=4 3310 B9R1.21 O=Cc1ncc(CBr)s1 Amb27244644 [0,2,0,0,0,0|1,1,0]=4 3311 B9R1.21 OCc1ccc(CCl)o1 Amb27393617 [0,2,0,0,0,0|0,0,2]=4 3312 B9R1.21 OCc1ccc(CO)o1 Amb5494053 [0,2,0,0,0,0|0,0,2]=4 3313 B9R1.21 OCc1ccc(CS)o1 Amb27480598 [0,2,0,0,0,0|0,0,2]=4 3314 B9R1.21 OCc1coc(CO)c1 Amb20248338 [0,2,0,0,0,0|0,0,2]=4 3315 B9R1.22 C#Cc1oc(Br)cc1C Amb33450751 [0,2,0,0,0,0|1,0,1]=4 3316 B9R1.22 C=Cc1oc(Br)cc1C Amb33450851 [0,2,0,0,0,0|1,0,0]=3 3317 B9R1.22 C=Cc1sc(Br)cc1Br Amb33006801 [0,2,0,0,0,0|1,1,0]=4 3318 B9R1.22 C=Cc1sc(C)cc1Br Amb33431402 [0,2,0,0,0,0|1,1,0]=4 3319 B9R1.22 CC1=C(C=O)NC(=O)N1 Amb26457432 [0,2,0,0,0,0|2,0,0]=4 3320 B9R1.22 CC1=C(C=O)OC(=O)O1 Amb28118534 [0,2,0,0,0,0|1,0,0]=3 3321 B9R1.22 CC1=CC(=O)N(C=O)N1 Amb27653526 [0,2,0,0,0,0|2,0,0]=4 3322 B9R1.22 CCc1oc(N)cc1C Amb18832815 [0,2,0,0,0,0|1,0,1]=4 3323 B9R1.22 CN1OC(=O)C=C1C=O Amb28129971 [0,2,0,0,0,0|2,0,0]=4 3324 B9R1.22 C\C=C1\CC(C)=CC1=O Amb24714919 [0,2,0,0,0,0|2,0,0]=4 3325 B9R1.22 C\C=C1\NC(=O)C=C1O Amb26904288 [0,2,0,0,0,0|2,0,0]=4 3326 B9R1.22 C\C=C1\OC(=O)C=C1N Amb28059814 [0,2,0,0,0,0|1,0,0]=3 3327 B9R1.22 Cc1cc(Br)c(C=O)o1 Amb18190707 [0,2,0,0,0,0|0,0,0]=2 3328 B9R1.22 Cc1cc(Br)c(C=O)s1 Amb2611507 [0,2,0,0,0,0|0,1,0]=3 3329 B9R1.22 Cc1cc(Br)oc1C=O Amb33732295 [0,2,0,0,0,0|0,0,0]=2 3330 B9R1.22 Cc1cc(Br)oc1CBr Amb33450693 [0,2,0,0,0,0|1,0,1]=4 3331 B9R1.22 Cc1cc(Br)oc1CCl Amb33450657 [0,2,0,0,0,0|1,0,1]=4 3332 B9R1.22 Cc1cc(Br)oc1CN Amb18253037 [0,2,0,0,0,0|1,0,1]=4 3333 B9R1.22 Cc1cc(Br)oc1CO Amb27180451 [0,2,0,0,0,0|0,0,2]=4 3334 B9R1.22 Cc1cc(Br)oc1CS Amb33387587 [0,2,0,0,0,0|0,1,1]=4 3335 B9R1.22 Cc1cc(Br)sc1C=O Amb18176568 [0,2,0,0,0,0|0,1,0]=3 3336 B9R1.22 Cc1cc(C=O)c(Br)s1 Amb33727248 [0,2,0,0,0,0|2,0,0]=4 3337 B9R1.22 Cc1cc(C=O)c(C)o1 Amb3680124 [0,2,0,0,0,0|2,0,0]=4 3338 B9R1.22 Cc1cc(C=O)c(C)s1 Amb2721760 [0,2,0,0,0,0|2,0,0]=4 3339 B9R1.22 Cc1cc(C=O)c(F)o1 Amb18832649 [0,2,0,0,0,0|2,0,0]=4 3340 B9R1.22 Cc1cc(C=O)c(F)s1 Amb18831510 [0,2,0,0,0,0|2,0,0]=4 3341 B9R1.22 Cc1cc(C=O)c(N)o1 Amb18832838 [0,2,0,0,0,0|2,0,0]=4 3342 B9R1.22 Cc1cc(C=O)c(N)s1 Amb18831709 [0,2,0,0,0,0|2,0,0]=4 3343 B9R1.22 Cc1cc(C=O)n(C)n1 Amb1945989 [0,2,0,0,0,0|2,0,0]=4 3344 B9R1.22 Cc1cc(Cl)c(C=O)o1 Amb18202379 [0,2,0,0,0,0|0,0,0]=2 3345 B9R1.22 Cc1cc(Cl)c(C=O)s1 Amb18199727 [0,2,0,0,0,0|0,1,0]=3 3346 B9R1.22 Cc1cc(F)c(C=O)s1 Amb18831511 [0,2,0,0,0,0|0,1,0]=3 3347 B9R1.22 Cc1cc(I)oc1CN Amb26641183 [0,2,0,0,0,0|1,0,1]=4 3348 B9R1.22 Cc1cc(N)c(C=O)o1 Amb18832843 [0,2,0,0,0,0|0,0,0]=2 3349 B9R1.22 Cc1cc(N)c(C=O)s1 Amb18831708 [0,2,0,0,0,0|0,1,0]=3 3350 B9R1.22 Cc1cc(N)sc1C=O Amb18831714 [0,2,0,0,0,0|0,1,0]=3 3351 B9R1.22 Cc1cn(C)c(C=O)n1 Amb8010959 [0,2,0,0,0,0|2,0,0]=4 3352 B9R1.22 Cc1cn(C)nc1C=O Amb8010948 [0,2,0,0,0,0|2,0,0]=4 3353 B9R1.22 Cc1nc(Br)oc1C=O Amb25267784 [0,2,0,0,0,0|1,0,0]=3 3354 B9R1.22 Cc1nc(Br)sc1C=O Amb18176304 [0,2,0,0,0,0|1,1,0]=4 3355 B9R1.22 Cc1nc(C)c(C=O)o1 Amb18832860 [0,2,0,0,0,0|1,0,0]=3 3356 B9R1.22 Cc1nc(C)c(C=O)s1 Amb2723087 [0,2,0,0,0,0|1,1,0]=4 3357 B9R1.22 Cc1nc(C=O)c(Br)s1 Amb2675443 [0,2,0,0,0,0|2,0,0]=4 3358 B9R1.22 Cc1nc(C=O)c(C)o1 Amb2700362 [0,2,0,0,0,0|2,0,0]=4 3359 B9R1.22 Cc1nc(C=O)c(C)s1 Amb8010556 [0,2,0,0,0,0|2,0,0]=4 3360 B9R1.22 Cc1nc(Cl)oc1C=O Amb28054841 [0,2,0,0,0,0|1,0,0]=3 3361 B9R1.22 Cc1nc(Cl)sc1C=O Amb19648751 [0,2,0,0,0,0|1,1,0]=4 3362 B9R1.22 Cc1nc(N)sc1C=O Amb24053082 [0,2,0,0,0,0|1,1,0]=4 3363 B9R1.22 Cc1oc(Br)cc1C=O Amb18187311 [0,2,0,0,0,0|2,0,0]=4 3364 B9R1.22 Cc1oc(Cl)nc1C=O Amb28246057 [0,2,0,0,0,0|2,0,0]=4 3365 B9R1.22 Cc1oc(N)cc1C=O Amb18832842 [0,2,0,0,0,0|2,0,0]=4 3366 B9R1.22 Cc1oc(N)nc1C=O Amb27438129 [0,2,0,0,0,0|2,0,0]=4 3367 B9R1.22 Cc1sc(Br)cc1C=O Amb18783661 [0,2,0,0,0,0|2,0,0]=4 3368 B9R1.22 Cc1sc(Br)nc1C=O Amb22500770 [0,2,0,0,0,0|2,0,0]=4 3369 B9R1.22 Cc1sc(Cl)cc1C=O Amb33483161 [0,2,0,0,0,0|2,0,0]=4 3370 B9R1.22 Cc1sc(Cl)nc1C=O Amb22500741 [0,2,0,0,0,0|2,0,0]=4 3371 B9R1.22 Cc1sc(F)cc1C=O Amb18202410 [0,2,0,0,0,0|2,0,0]=4 3372 B9R1.22 Cc1sc(N)cc1C=O Amb18831710 [0,2,0,0,0,0|2,0,0]=4 3373 B9R1.22 Cc1sc(N)nc1C=O Amb22500859 [0,2,0,0,0,0|2,0,0]=4 3374 B9R1.22 Cn1cc(Br)c(C=O)n1 Amb2725214 [0,2,0,0,0,0|2,0,0]=4 3375 B9R1.22 Cn1cc(Br)cc1C=O Amb22408738 [0,2,0,0,0,0|1,0,0]=3 3376 B9R1.22 Cn1cc(Br)nc1C=O Amb18129386 [0,2,0,0,0,0|2,0,0]=4 3377 B9R1.22 Cn1cc(Cl)c(C=O)c1 Amb18202416 [0,2,0,0,0,0|2,0,0]=4 3378 B9R1.22 Cn1cc(Cl)c(C=O)n1 Amb2725213 [0,2,0,0,0,0|2,0,0]=4 3379 B9R1.22 Cn1cc(Cl)cc1C=O Amb27409914 [0,2,0,0,0,0|1,0,0]=3 3380 B9R1.22 Cn1cc(Cl)nc1C=O Amb27659208 [0,2,0,0,0,0|2,0,0]=4 3381 B9R1.22 Cn1cc(I)c(C=O)n1 Amb20242329 [0,2,0,0,0,0|2,0,0]=4 3382 B9R1.22 Cn1cc(O)c(C=O)n1 Amb18832774 [0,2,0,0,0,0|2,0,0]=4 3383 B9R1.22 Cn1nc(Br)cc1C=O Amb18190512 [0,2,0,0,0,0|2,0,0]=4 3384 B9R1.22 Cn1nc(Cl)cc1C=O Amb25206773 [0,2,0,0,0,0|2,0,0]=4 3385 B9R1.22 Cn1nc(I)cc1C=O Amb33621447 [0,2,0,0,0,0|2,0,0]=4 3386 B9R1.22 N#Cc1oc(Br)cc1N Amb27224264 [0,2,0,0,0,0|1,0,1]=4 3387 B9R1.22 Nc1cc(Cl)sc1C=O Amb28430811 [0,2,0,0,0,0|0,1,0]=3 3388 B9R1.22 Nc1nc(C=O)c(Cl)s1 Amb24113535 [0,2,0,0,0,0|2,0,0]=4 3389 B9R1.22 Nc1nc(Cl)c(C=O)s1 Amb6553135 [0,2,0,0,0,0|1,1,0]=4 3390 B9R1.22 Nc1sc(Br)cc1C=O Amb27945983 [0,2,0,0,0,0|2,0,0]=4 3391 B9R1.22 Nc1sc(I)cc1C=O Amb28061596 [0,2,0,0,0,0|2,0,0]=4 3392 B9R1.22 O=C1C=C(Cl)\C(=C/Cl)O1 Amb25210550 [0,2,0,0,0,0|1,0,0]=3 3393 B9R1.22 O=CC1=C(Cl)NC(=O)S1 Amb19148103 [0,2,0,0,0,0|1,1,0]=4 3394 B9R1.22 O=Cc1cc(Br)sc1Br Amb21520284 [0,2,0,0,0,0|2,0,0]=4 3395 B9R1.22 O=Cc1cc(Br)sc1Cl Amb18134784 [0,2,0,0,0,0|2,0,0]=4 3396 B9R1.22 O=Cc1cc(Cl)oc1Cl Amb27433156 [0,2,0,0,0,0|2,0,0]=4 3397 B9R1.22 O=Cc1cc(Cl)sc1Cl Amb3429693 [0,2,0,0,0,0|2,0,0]=4 3398 B9R1.22 O=Cc1nc(Br)sc1Br Amb27195579 [0,2,0,0,0,0|2,0,0]=4 3399 B9R1.22 O=Cc1nc(Br)sc1Cl Amb33738133 [0,2,0,0,0,0|2,0,0]=4 3400 B9R1.22 O=Cc1nc(Cl)sc1Cl Amb22495270 [0,2,0,0,0,0|2,0,0]=4 3401 B9R1.22 O=Cc1sc(Br)cc1Br Amb2611683 [0,2,0,0,0,0|0,1,0]=3 3402 B9R1.22 O=Cc1sc(Br)cc1Cl Amb26527368 [0,2,0,0,0,0|0,1,0]=3 3403 B9R1.22 O=Cc1sc(Br)nc1Br Amb10603505 [0,2,0,0,0,0|1,1,0]=4 3404 B9R1.22 O=Cc1sc(Br)nc1Cl Amb32668344 [0,2,0,0,0,0|1,1,0]=4 3405 B9R1.22 O=Cc1sc(Cl)cc1Cl Amb28140783 [0,2,0,0,0,0|0,1,0]=3 3406 B9R1.22 O=Cc1sc(Cl)nc1Cl Amb1105526 [0,2,0,0,0,0|1,1,0]=4 3407 B9R1.22 O=Cc1sc(I)nc1Cl Amb33620416 [0,2,0,0,0,0|1,1,0]=4 3408 B9R1.22 O=Cc1sc(O)nc1Cl Amb22058751 [0,2,0,0,0,0|1,1,0]=4 3409 B9R1.23 BrCc1cc(Br)c(Br)o1 Amb27759490 [0,2,0,0,0,0|1,0,1]=4 3410 B9R1.23 C#Cc1cc(Br)c(Br)o1 Amb25104410 [0,2,0,0,0,0|1,0,1]=4 3411 B9R1.23 C#Cc1cc(C)c(C)o1 Amb28341299 [0,2,0,0,0,0|1,0,1]=4 3412 B9R1.23 C=Cc1cc(Br)c(Br)o1 Amb25340894 [0,2,0,0,0,0|1,0,0]=3 3413 B9R1.23 C=Cc1cc(Br)c(C)s1 Amb24524004 [0,2,0,0,0,0|1,1,0]=4 3414 B9R1.23 C=Cc1cc(Br)c(Cl)s1 Amb27589985 [0,2,0,0,0,0|1,1,0]=4 3415 B9R1.23 C=Cc1nc(C)c(C)o1 Amb33267210 [0,2,0,0,0,0|2,0,0]=4 3416 B9R1.23 CC1=C\C(=C/Br)OC1=O Amb32415013 [0,2,0,0,0,0|1,0,0]=3 3417 B9R1.23 CC1=C\C(=C\Br)OC1=O Amb27620503 [0,2,0,0,0,0|1,0,0]=3 3418 B9R1.23 CCc1cc(C)c(C)o1 Amb27264803 [0,2,0,0,0,0|1,0,1]=4 3419 B9R1.23 CCc1cc(S)c(C)o1 Amb27240758 [0,2,0,0,0,0|1,0,1]=4 3420 B9R1.23 CN1C=C(C=O)SC1=O Amb19649786 [0,2,0,0,0,0|1,1,0]=4 3421 B9R1.23 CN1N=C(C=O)OC1=O Amb27186006 [0,2,0,0,0,0|2,0,0]=4 3422 B9R1.23 CN1NC(C=O)=CC1=O Amb27782504 [0,2,0,0,0,0|2,0,0]=4 3423 B9R1.23 CNc1cc(C)c(C)o1 Amb27265811 [0,2,0,0,0,0|2,0,0]=4 3424 B9R1.23 C\C=C1/C=C(C)C(=O)C1 Amb24364089 [0,2,0,0,0,0|2,0,0]=4 3425 B9R1.23 C\C=C1/N=C(C)C(=O)O1 Amb24558024 [0,2,0,0,0,0|2,0,0]=4 3426 B9R1.23 Cc1cc(C#N)oc1Br Amb33483184 [0,2,0,0,0,0|1,0,1]=4 3427 B9R1.23 Cc1cc(C#N)oc1C Amb28341880 [0,2,0,0,0,0|1,0,1]=4 3428 B9R1.23 Cc1cc(C=O)cn1C Amb18832958 [0,2,0,0,0,0|2,0,0]=4 3429 B9R1.23 Cc1cc(C=O)nn1C Amb1946178 [0,2,0,0,0,0|2,0,0]=4 3430 B9R1.23 Cc1cc(C=O)oc1Br Amb18187323 [0,2,0,0,0,0|0,0,0]=2 3431 B9R1.23 Cc1cc(C=O)oc1C Amb2722737 [0,2,0,0,0,0|0,0,0]=2 3432 B9R1.23 Cc1cc(C=O)oc1N Amb18832858 [0,2,0,0,0,0|0,0,0]=2 3433 B9R1.23 Cc1cc(C=O)sc1Br Amb2447432 [0,2,0,0,0,0|0,1,0]=3 3434 B9R1.23 Cc1cc(C=O)sc1C Amb2720393 [0,2,0,0,0,0|0,1,0]=3 3435 B9R1.23 Cc1cc(C=O)sc1Cl Amb26872662 [0,2,0,0,0,0|0,1,0]=3 3436 B9R1.23 Cc1cc(C=O)sc1N Amb18831705 [0,2,0,0,0,0|0,1,0]=3 3437 B9R1.23 Cc1cc(CO)oc1C Amb26425662 [0,2,0,0,0,0|0,0,2]=4 3438 B9R1.23 Cc1nc(C=O)cn1C Amb18832918 [0,2,0,0,0,0|2,0,0]=4 3439 B9R1.23 Cc1nc(C=O)oc1Br Amb28369790 [0,2,0,0,0,0|1,0,0]=3 3440 B9R1.23 Cc1nc(C=O)oc1C Amb18832861 [0,2,0,0,0,0|1,0,0]=3 3441 B9R1.23 Cc1nc(C=O)sc1Br Amb20670840 [0,2,0,0,0,0|1,1,0]=4 3442 B9R1.23 Cc1nc(C=O)sc1C Amb17399870 [0,2,0,0,0,0|1,1,0]=4 3443 B9R1.23 Cc1oc(C#N)cc1Br Amb23537727 [0,2,0,0,0,0|1,0,1]=4 3444 B9R1.23 Cc1oc(C=O)cc1Br Amb18129294 [0,2,0,0,0,0|0,0,0]=2 3445 B9R1.23 Cc1oc(C=O)cc1F Amb18832650 [0,2,0,0,0,0|0,0,0]=2 3446 B9R1.23 Cc1oc(C=O)cc1N Amb18832845 [0,2,0,0,0,0|0,0,0]=2 3447 B9R1.23 Cc1oc(CCl)cc1Br Amb28351465 [0,2,0,0,0,0|1,0,1]=4 3448 B9R1.23 Cc1oc(CN)cc1Br Amb23537726 [0,2,0,0,0,0|1,0,1]=4 3449 B9R1.23 Cc1oc(CN)cc1N Amb18832726 [0,2,0,0,0,0|1,0,1]=4 3450 B9R1.23 Cc1sc(C=O)cc1Br Amb4420510 [0,2,0,0,0,0|0,1,0]=3 3451 B9R1.23 Cc1sc(C=O)cc1Cl Amb27631795 [0,2,0,0,0,0|0,1,0]=3 3452 B9R1.23 Cc1sc(C=O)cc1F Amb18831512 [0,2,0,0,0,0|0,1,0]=3 3453 B9R1.23 Cc1sc(C=O)cc1N Amb18831711 [0,2,0,0,0,0|0,1,0]=3 3454 B9R1.23 ClCc1cc(Br)c(Br)o1 Amb25082917 [0,2,0,0,0,0|1,0,1]=4 3455 B9R1.23 Cn1cc(C=O)nc1Br Amb35605381 [0,2,0,0,0,0|2,0,0]=4 3456 B9R1.23 Cn1cc(C=O)nc1N Amb24751976 [0,2,0,0,0,0|2,0,0]=4 3457 B9R1.23 Cn1nc(C=O)cc1Br Amb18190518 [0,2,0,0,0,0|2,0,0]=4 3458 B9R1.23 Cn1nc(C=O)cc1Cl Amb26987874 [0,2,0,0,0,0|2,0,0]=4 3459 B9R1.23 Cn1nc(C=O)cc1I Amb33621439 [0,2,0,0,0,0|2,0,0]=4 3460 B9R1.23 N#Cc1cc(Br)c(Br)o1 Amb23537581 [0,2,0,0,0,0|1,0,1]=4 3461 B9R1.23 N#Cc1cc(Br)c(Cl)o1 Amb23539105 [0,2,0,0,0,0|1,0,1]=4 3462 B9R1.23 N#Cc1cc(Cl)c(Cl)o1 Amb23538069 [0,2,0,0,0,0|1,0,1]=4 3463 B9R1.23 NCc1cc(Br)c(Br)o1 Amb23535608 [0,2,0,0,0,0|1,0,1]=4 3464 B9R1.23 Nc1cc(C=O)oc1Br Amb18189507 [0,2,0,0,0,0|0,0,0]=2 3465 B9R1.23 O=Cc1cc(Br)c(Br)o1 Amb1799053 [0,2,0,0,0,0|0,0,0]=2 3466 B9R1.23 O=Cc1cc(Br)c(Br)s1 Amb1935055 [0,2,0,0,0,0|0,1,0]=3 3467 B9R1.23 O=Cc1cc(Br)c(Cl)o1 Amb18131113 [0,2,0,0,0,0|0,0,0]=2 3468 B9R1.23 O=Cc1cc(Br)c(Cl)s1 Amb27180463 [0,2,0,0,0,0|0,1,0]=3 3469 B9R1.23 O=Cc1cc(Br)c(F)s1 Amb27831180 [0,2,0,0,0,0|0,1,0]=3 3470 B9R1.23 O=Cc1cc(Br)c(I)o1 Amb3604338 [0,2,0,0,0,0|0,0,0]=2 3471 B9R1.23 O=Cc1cc(Cl)c(Cl)s1 Amb18128273 [0,2,0,0,0,0|0,1,0]=3 3472 B9R1.23 O=Cc1nc(Br)c(Br)s1 Amb27967627 [0,2,0,0,0,0|1,1,0]=4 3473 B9R1.23 O=Cc1nc(Cl)c(Cl)s1 Amb28051155 [0,2,0,0,0,0|1,1,0]=4 3474 B9R1.23 OCc1cc(Br)c(Br)o1 Amb837298 [0,2,0,0,0,0|0,0,2]=4 3475 B9R1.23 OCc1cc(Br)c(Cl)o1 Amb23539104 [0,2,0,0,0,0|0,0,2]=4 3476 B9R1.23 SCc1cc(Br)c(Br)o1 Amb32788431 [0,2,0,0,0,0|0,1,1]=4 3477 B9R1.35 C=C(C)c1cc(Br)cs1 Amb28207792 [0,2,0,0,0,0|1,1,0]=4 3478 B9R1.35 C=C(C)c1cc(C)cs1 Amb28436270 [0,2,0,0,0,0|1,1,0]=4 3479 B9R1.35 C=C(C)c1cc(N)no1 Amb33199178 [0,2,0,0,0,0|2,0,0]=4 3480 B9R1.35 C=C(C)c1cnc(N)o1 Amb33199154 [0,2,0,0,0,0|2,0,0]=4 3481 B9R1.35 CC(=O)C1=CC(=O)NO1 Amb27636423 [0,2,0,0,0,0|1,0,0]=3 3482 B9R1.35 CC(=O)C1=CCC(=S)O1 Amb27261937 [0,2,0,0,0,0|0,0,1]=3 3483 B9R1.35 CC(=O)C1=CSC(=S)N1 Amb25227392 [0,2,0,0,0,0|2,0,0]=4 3484 B9R1.35 CC(=O)N1C=CC(=O)N1 Amb24481715 [0,2,0,0,0,0|2,0,0]=4 3485 B9R1.35 CC(=O)c1cc(Br)cs1 Amb1946493 [0,2,0,0,0,0|0,1,0]=3 3486 B9R1.35 CC(=O)c1cc(Br)no1 Amb18190978 [0,2,0,0,0,0|1,0,0]=3 3487 B9R1.35 CC(=O)c1cc(C)cs1 Amb3941162 [0,2,0,0,0,0|0,1,0]=3 3488 B9R1.35 CC(=O)c1cc(C)no1 Amb18672024 [0,2,0,0,0,0|1,0,0]=3 3489 B9R1.35 CC(=O)c1cc(C)ns1 Amb18831719 [0,2,0,0,0,0|1,1,0]=4 3490 B9R1.35 CC(=O)c1cc(C)on1 Amb21964495 [0,2,0,0,0,0|2,0,0]=4 3491 B9R1.35 CC(=O)c1cc(C)sn1 Amb18831706 [0,2,0,0,0,0|2,0,0]=4 3492 B9R1.35 CC(=O)c1cc(Cl)cs1 Amb8396574 [0,2,0,0,0,0|0,1,0]=3 3493 B9R1.35 CC(=O)c1cc(Cl)on1 Amb27777474 [0,2,0,0,0,0|2,0,0]=4 3494 B9R1.35 CC(=O)c1cc(F)cs1 Amb18831508 [0,2,0,0,0,0|0,1,0]=3 3495 B9R1.35 CC(=O)c1cc(I)cs1 Amb22751276 [0,2,0,0,0,0|0,1,0]=3 3496 B9R1.35 CC(=O)c1cc(N)cs1 Amb18678229 [0,2,0,0,0,0|0,1,0]=3 3497 B9R1.35 CC(=O)c1cc(N)no1 Amb18832777 [0,2,0,0,0,0|1,0,0]=3 3498 B9R1.35 CC(=O)c1cc(N)on1 Amb27970954 [0,2,0,0,0,0|2,0,0]=4 3499 B9R1.35 CC(=O)c1ccc(Br)[se]1 Amb2611508 [0,2,0,0,0,0|0,1,0]=3 3500 B9R1.35 CC(=O)c1ccc(Br)o1 Amb18678443 [0,2,0,0,0,0|0,0,0]=2 3501 B9R1.35 CC(=O)c1ccc(Br)s1 Amb1151096 [0,2,0,0,0,0|0,1,0]=3 3502 B9R1.35 CC(=O)c1ccc(C)o1 Amb1154368 [0,2,0,0,0,0|0,0,0]=2 3503 B9R1.35 CC(=O)c1ccc(C)s1 Amb1153736 [0,2,0,0,0,0|0,1,0]=3 3504 B9R1.35 CC(=O)c1ccc(Cl)s1 Amb1148733 [0,2,0,0,0,0|0,1,0]=3 3505 B9R1.35 CC(=O)c1ccc(F)s1 Amb18831509 [0,2,0,0,0,0|0,1,0]=3 3506 B9R1.35 CC(=O)c1ccc(I)s1 Amb19886673 [0,2,0,0,0,0|0,1,0]=3 3507 B9R1.35 CC(=O)c1ccc(N)o1 Amb18642262 [0,2,0,0,0,0|0,0,0]=2 3508 B9R1.35 CC(=O)c1ccc(N)s1 Amb17477841 [0,2,0,0,0,0|0,1,0]=3 3509 B9R1.35 CC(=O)c1ccc(O)s1 Amb34135974 [0,2,0,0,0,0|0,1,0]=3 3510 B9R1.35 CC(=O)c1ccc(S)s1 Amb25706073 [0,2,0,0,0,0|0,1,0]=3 3511 B9R1.35 CC(=O)c1ccn(C)c1 Amb3940523 [0,2,0,0,0,0|2,0,0]=4 3512 B9R1.35 CC(=O)c1ccn(C)n1 Amb33544400 [0,2,0,0,0,0|2,0,0]=4 3513 B9R1.35 CC(=O)c1cn(C)cn1 Amb23399836 [0,2,0,0,0,0|2,0,0]=4 3514 B9R1.35 CC(=O)c1cn(N)cn1 Amb27768777 [0,2,0,0,0,0|2,0,0]=4 3515 B9R1.35 CC(=O)c1cnc(Br)o1 Amb26391439 [0,2,0,0,0,0|1,0,0]=3 3516 B9R1.35 CC(=O)c1cnc(Br)s1 Amb18176255 [0,2,0,0,0,0|1,1,0]=4 3517 B9R1.35 CC(=O)c1cnc(C)o1 Amb23437343 [0,2,0,0,0,0|1,0,0]=3 3518 B9R1.35 CC(=O)c1cnc(C)s1 Amb19882144 [0,2,0,0,0,0|1,1,0]=4 3519 B9R1.35 CC(=O)c1cnc(Cl)o1 Amb27246755 [0,2,0,0,0,0|1,0,0]=3 3520 B9R1.35 CC(=O)c1cnc(Cl)s1 Amb25202568 [0,2,0,0,0,0|1,1,0]=4 3521 B9R1.35 CC(=O)c1cnc(N)o1 Amb17231842 [0,2,0,0,0,0|1,0,0]=3 3522 B9R1.35 CC(=O)c1cnc(N)s1 Amb10605732 [0,2,0,0,0,0|1,1,0]=4 3523 B9R1.35 CC(=O)c1cnc(N)s1 Amb19515342 [0,2,0,0,0,0|1,1,0]=4 3524 B9R1.35 CC(=O)c1cnc(N)s1 Amb33465501 [0,2,0,0,0,0|1,1,0]=4 3525 B9R1.35 CC(=O)c1cnc(O)s1 Amb27838546 [0,2,0,0,0,0|1,1,0]=4 3526 B9R1.35 CC(=O)c1cnc(S)s1 Amb19882270 [0,2,0,0,0,0|1,1,0]=4 3527 B9R1.35 CC(=O)c1coc(Br)c1 Amb27648127 [0,2,0,0,0,0|2,0,0]=4 3528 B9R1.35 CC(=O)c1coc(C)n1 Amb18832850 [0,2,0,0,0,0|2,0,0]=4 3529 B9R1.35 CC(=O)c1coc(Cl)c1 Amb26391385 [0,2,0,0,0,0|2,0,0]=4 3530 B9R1.35 CC(=O)c1coc(Cl)n1 Amb25070464 [0,2,0,0,0,0|2,0,0]=4 3531 B9R1.35 CC(=O)c1csc(Br)c1 Amb10603337 [0,2,0,0,0,0|2,0,0]=4 3532 B9R1.35 CC(=O)c1csc(Br)n1 Amb25103826 [0,2,0,0,0,0|2,0,0]=4 3533 B9R1.35 CC(=O)c1csc(C)c1 Amb22494674 [0,2,0,0,0,0|2,0,0]=4 3534 B9R1.35 CC(=O)c1csc(C)n1 Amb20622917 [0,2,0,0,0,0|2,0,0]=4 3535 B9R1.35 CC(=O)c1csc(C)n1 Amb493870 [0,2,0,0,0,0|2,0,0]=4 3536 B9R1.35 CC(=O)c1csc(Cl)c1 Amb5719933 [0,2,0,0,0,0|2,0,0]=4 3537 B9R1.35 CC(=O)c1csc(Cl)n1 Amb19944607 [0,2,0,0,0,0|2,0,0]=4 3538 B9R1.35 CC(=O)c1csc(F)c1 Amb18202409 [0,2,0,0,0,0|2,0,0]=4 3539 B9R1.35 CC(=O)c1csc(N)n1 Amb6355913 [0,2,0,0,0,0|2,0,0]=4 3540 B9R1.35 CC(=O)c1nc(Br)cs1 Amb24321383 [0,2,0,0,0,0|1,1,0]=4 3541 B9R1.35 CC(=O)c1nc(Br)no1 Amb18819017 [0,2,0,0,0,0|2,0,0]=4 3542 B9R1.35 CC(=O)c1nc(C)co1 Amb21963773 [0,2,0,0,0,0|1,0,0]=3 3543 B9R1.35 CC(=O)c1nc(C)cs1 Amb22347859 [0,2,0,0,0,0|1,1,0]=4 3544 B9R1.35 CC(=O)c1nc(C)no1 Amb18138552 [0,2,0,0,0,0|2,0,0]=4 3545 B9R1.35 CC(=O)c1nc(N)no1 Amb18203288 [0,2,0,0,0,0|2,0,0]=4 3546 B9R1.35 CC(=O)c1ncc(Br)s1 Amb8394578 [0,2,0,0,0,0|1,1,0]=4 3547 B9R1.35 CC(=O)c1ncc(C)o1 Amb18832862 [0,2,0,0,0,0|1,0,0]=3 3548 B9R1.35 CC(=O)c1ncc(C)s1 Amb18831720 [0,2,0,0,0,0|1,1,0]=4 3549 B9R1.35 CC(=O)c1ncc(Cl)s1 Amb8383444 [0,2,0,0,0,0|1,1,0]=4 3550 B9R1.35 CC(=O)c1nnc(Br)o1 Amb18819022 [0,2,0,0,0,0|2,0,0]=4 3551 B9R1.35 CC(=O)c1nnc(C)o1 Amb22898820 [0,2,0,0,0,0|2,0,0]=4 3552 B9R1.35 CC(=O)c1nnc(Cl)o1 Amb27843721 [0,2,0,0,0,0|2,0,0]=4 3553 B9R1.35 CC(=O)n1cc(F)cn1 Amb23400558 [0,2,0,0,0,0|2,0,0]=4 3554 B9R1.35 CC(=O)n1cc(I)cn1 Amb15693384 [0,2,0,0,0,0|2,0,0]=4 3555 B9R1.35 CC(=O)n1ccc(N)c1 Amb24482008 [0,2,0,0,0,0|2,0,0]=4 3556 B9R1.35 CC(=S)c1ccc(Cl)s1 Amb27847567 [0,2,0,0,0,0|0,2,0]=4 3557 B9R1.35 CC(C)=C1N=CC(=O)O1 Amb27843713 [0,2,0,0,0,0|2,0,0]=4 3558 B9R1.35 CC(C)c1ccc(Br)o1 Amb10600622 [0,2,0,0,0,0|1,0,1]=4 3559 B9R1.35 CC(C)c1ccc(N)o1 Amb10600623 [0,2,0,0,0,0|1,0,1]=4 3560 B9R1.35 CC(Cl)c1ccc(Cl)o1 Amb26397531 [0,2,0,0,0,0|1,0,1]=4 3561 B9R1.35 CC(N)c1cc(Br)co1 Amb24746809 [0,2,0,0,0,0|1,0,1]=4 3562 B9R1.35 CC(N)c1cc(O)co1 Amb27759208 [0,2,0,0,0,0|1,0,1]=4 3563 B9R1.35 CC(N)c1ccc(Br)o1 Amb25867182 [0,2,0,0,0,0|1,0,1]=4 3564 B9R1.35 CC(N)c1ccc(Cl)o1 Amb28069189 [0,2,0,0,0,0|1,0,1]=4 3565 B9R1.35 CC(O)c1cc(Br)co1 Amb27833658 [0,2,0,0,0,0|0,0,2]=4 3566 B9R1.35 CC(O)c1ccc(Br)o1 Amb28049060 [0,2,0,0,0,0|0,0,2]=4 3567 B9R1.35 CC(O)c1ccc(Cl)o1 Amb24554790 [0,2,0,0,0,0|0,0,2]=4 3568 B9R1.35 CC(S)c1ccc(Br)o1 Amb26989930 [0,2,0,0,0,0|0,1,1]=4 3569 B9R1.35 CC1=CC(=C(C)C)C=C1 Amb24399879 [0,2,0,0,0,0|2,0,0]=4 3570 B9R1.35 CC1C=CC(C(=O)O)O1 Amb18642586 [0,2,0,0,0,0|0,0,2]=4 3571 B9R1.35 CN(C)c1ccc(Br)o1 Amb24317621 [0,2,0,0,0,0|2,0,0]=4 3572 B9R1.35 C[C@@H](N)c1cc(Br)co1 Amb27413539 [0,2,0,0,0,0|1,0,1]=4 3573 B9R1.35 C[C@@H](N)c1cc(F)co1 Amb27782626 [0,2,0,0,0,0|1,0,1]=4 3574 B9R1.35 C[C@@H](N)c1cc(N)co1 Amb28131000 [0,2,0,0,0,0|1,0,1]=4 3575 B9R1.35 C[C@@H](N)c1ccc(Br)o1 Amb27810660 [0,2,0,0,0,0|1,0,1]=4 3576 B9R1.35 C[C@@H](N)c1ccc(Cl)o1 Amb27473386 [0,2,0,0,0,0|1,0,1]=4 3577 B9R1.35 C[C@@H](O)c1cc(Br)co1 Amb33431260 [0,2,0,0,0,0|0,0,2]=4 3578 B9R1.35 C[C@@H](O)c1ccc(Br)o1 Amb26920850 [0,2,0,0,0,0|0,0,2]=4 3579 B9R1.35 C[C@@H](O)c1ccc(Cl)o1 Amb33258299 [0,2,0,0,0,0|0,0,2]=4 3580 B9R1.35 C[C@@H]1C=C[C@@H](C(=O)Cl)O1 Amb27658769 [0,2,0,0,0,0|0,0,2]=4 3581 B9R1.35 C[C@H](N)c1cc(Br)co1 Amb27655645 [0,2,0,0,0,0|1,0,1]=4 3582 B9R1.35 C[C@H](N)c1cc(Cl)co1 Amb27779995 [0,2,0,0,0,0|1,0,1]=4 3583 B9R1.35 C[C@H](N)c1cc(F)co1 Amb27263850 [0,2,0,0,0,0|1,0,1]=4 3584 B9R1.35 C[C@H](N)c1ccc(Br)o1 Amb27168658 [0,2,0,0,0,0|1,0,1]=4 3585 B9R1.35 C[C@H](N)c1ccc(Cl)o1 Amb26931153 [0,2,0,0,0,0|1,0,1]=4 3586 B9R1.35 C[C@H](N)c1ccc(F)o1 Amb28134653 [0,2,0,0,0,0|1,0,1]=4 3587 B9R1.35 C[C@H](O)c1cc(Br)co1 Amb33431528 [0,2,0,0,0,0|0,0,2]=4 3588 B9R1.35 C[C@H](O)c1ccc(Br)o1 Amb28321678 [0,2,0,0,0,0|0,0,2]=4 3589 B9R1.35 C[C@H](O)c1ccc(Cl)o1 Amb33258305 [0,2,0,0,0,0|0,0,2]=4 3590 B9R1.35 C[C@H]1C=C[C@H](C(=O)Cl)O1 Amb27827754 [0,2,0,0,0,0|0,0,2]=4 3591 B9R1.35 Cc1cc(C(=N)N)on1 Amb33422690 [0,2,0,0,0,0|2,0,0]=4 3592 B9R1.35 Cc1cc(C(=O)Cl)cs1 Amb16230125 [0,2,0,0,0,0|2,0,0]=4 3593 B9R1.35 Cc1cc(C(=O)Cl)no1 Amb2689504 [0,2,0,0,0,0|2,0,0]=4 3594 B9R1.35 Cc1cc(C(=O)Cl)on1 Amb33539768 [0,2,0,0,0,0|1,0,0]=3 3595 B9R1.35 Cc1cc(C(=O)O)co1 Amb16231454 [0,2,0,0,0,0|2,0,0]=4 3596 B9R1.35 Cc1cc(C(=O)O)cs1 Amb6335894 [0,2,0,0,0,0|2,0,0]=4 3597 B9R1.35 Cc1cc(C(=O)O)no1 Amb6335305 [0,2,0,0,0,0|2,0,0]=4 3598 B9R1.35 Cc1cc(C(=O)O)ns1 Amb18202486 [0,2,0,0,0,0|2,0,0]=4 3599 B9R1.35 Cc1cc(C(=O)O)on1 Amb6315792 [0,2,0,0,0,0|1,0,0]=3 3600 B9R1.35 Cc1cc(C(=O)O)sn1 Amb33544153 [0,2,0,0,0,0|1,1,0]=4 3601 B9R1.35 Cc1cc(C(N)=O)co1 Amb23589835 [0,2,0,0,0,0|2,0,0]=4 3602 B9R1.35 Cc1cc(C(N)=O)cs1 Amb25700357 [0,2,0,0,0,0|2,0,0]=4 3603 B9R1.35 Cc1cc(C(N)=O)no1 Amb4009604 [0,2,0,0,0,0|2,0,0]=4 3604 B9R1.35 Cc1cc(C(N)=O)on1 Amb22295917 [0,2,0,0,0,0|1,0,0]=3 3605 B9R1.35 Cc1cc(C(N)=S)on1 Amb32955623 [0,2,0,0,0,0|1,1,0]=4 3606 B9R1.35 Cc1ccc(B(O)O)o1 Amb22586674 [0,2,0,0,0,0|1,0,1]=4 3607 B9R1.35 Cc1ccc(B(O)O)o1 Amb2720325 [0,2,0,0,0,0|1,0,1]=4 3608 B9R1.35 Cc1ccc(C(=N)N)o1 Amb21959999 [0,2,0,0,0,0|1,0,0]=3 3609 B9R1.35 Cc1ccc(C(=N)N)o1 Amb8834125 [0,2,0,0,0,0|1,0,0]=3 3610 B9R1.35 Cc1ccc(C(=N)N)s1 Amb17601556 [0,2,0,0,0,0|1,1,0]=4 3611 B9R1.35 Cc1ccc(C(=N)N)s1 Amb8834132 [0,2,0,0,0,0|1,1,0]=4 3612 B9R1.35 Cc1ccc(C(=O)Cl)o1 Amb2689440 [0,2,0,0,0,0|0,0,0]=2 3613 B9R1.35 Cc1ccc(C(=O)Cl)s1 Amb33528399 [0,2,0,0,0,0|0,1,0]=3 3614 B9R1.35 Cc1ccc(C(=O)O)o1 Amb6318544 [0,2,0,0,0,0|0,0,0]=2 3615 B9R1.35 Cc1ccc(C(=O)O)s1 Amb1157149 [0,2,0,0,0,0|0,1,0]=3 3616 B9R1.35 Cc1ccc(C(C)C)o1 Amb22749543 [0,2,0,0,0,0|1,0,1]=4 3617 B9R1.35 Cc1ccc(C(C)N)o1 Amb487237 [0,2,0,0,0,0|1,0,1]=4 3618 B9R1.35 Cc1ccc(C(C)O)o1 Amb6705773 [0,2,0,0,0,0|0,0,2]=4 3619 B9R1.35 Cc1ccc(C(C)S)o1 Amb9208021 [0,2,0,0,0,0|0,1,1]=4 3620 B9R1.35 Cc1ccc(C(N)=O)o1 Amb3359879 [0,2,0,0,0,0|0,0,0]=2 3621 B9R1.35 Cc1ccc(C(N)=O)s1 Amb8997732 [0,2,0,0,0,0|0,1,0]=3 3622 B9R1.35 Cc1ccc(C(N)=S)o1 Amb8834042 [0,2,0,0,0,0|0,1,0]=3 3623 B9R1.35 Cc1ccc(C(N)=S)s1 Amb8834046 [0,2,0,0,0,0|0,2,0]=4 3624 B9R1.35 Cc1ccc(P(Br)Br)o1 Amb4297337 [0,2,0,0,0,0|2,0,0]=4 3625 B9R1.35 Cc1ccc(S(=O)[O-])o1 Amb32754110 [0,2,0,0,0,0|1,0,0]=3 3626 B9R1.35 Cc1ccc(S(=O)[O-])s1 Amb24753008 [0,2,0,0,0,0|1,1,0]=4 3627 B9R1.35 Cc1ccc(S(C)=O)o1 Amb27230252 [0,2,0,0,0,0|1,0,0]=3 3628 B9R1.35 Cc1ccc([C@@H](C)N)o1 Amb13952993 [0,2,0,0,0,0|1,0,1]=4 3629 B9R1.35 Cc1ccc([C@@H](C)N)o1 Amb33712017 [0,2,0,0,0,0|1,0,1]=4 3630 B9R1.35 Cc1ccc([C@@H](C)O)o1 Amb13952991 [0,2,0,0,0,0|0,0,2]=4 3631 B9R1.35 Cc1ccc([C@H](C)N)o1 Amb13952995 [0,2,0,0,0,0|1,0,1]=4 3632 B9R1.35 Cc1ccc([C@H](C)O)o1 Amb13952992 [0,2,0,0,0,0|0,0,2]=4 3633 B9R1.35 Cc1ccc([N+](=O)[O-])o1 Amb4021593 [0,2,0,0,0,0|1,0,0]=3 3634 B9R1.35 Cc1ccc([N+](=O)[O-])s1 Amb10574813 [0,2,0,0,0,0|1,1,0]=4 3635 B9R1.35 Cc1ccc([SiH](C)C)o1 Amb27843651 [0,2,0,0,0,0|1,1,0]=4 3636 B9R1.35 Cc1ccn(C(N)=O)n1 Amb2720537 [0,2,0,0,0,0|2,0,0]=4 3637 B9R1.35 Cc1cnc(C(=O)Cl)s1 Amb26455598 [0,2,0,0,0,0|1,1,0]=4 3638 B9R1.35 Cc1cnc(C(=O)O)o1 Amb18832708 [0,2,0,0,0,0|1,0,0]=3 3639 B9R1.35 Cc1cnc(C(=O)O)s1 Amb8010646 [0,2,0,0,0,0|1,1,0]=4 3640 B9R1.35 Cc1cnc(C(=O)[O-])o1 Amb24183598 [0,2,0,0,0,0|1,0,0]=3 3641 B9R1.35 Cc1cnc(C(=O)[O-])o1 Amb32653595 [0,2,0,0,0,0|1,0,0]=3 3642 B9R1.35 Cc1cnc(C(=O)[O-])o1 Amb33713544 [0,2,0,0,0,0|1,0,0]=3 3643 B9R1.35 Cc1cnc(C(=O)[O-])s1 Amb16187163 [0,2,0,0,0,0|1,1,0]=4 3644 B9R1.35 Cc1coc(B(O)O)c1 Amb10597554 [0,2,0,0,0,0|1,0,1]=4 3645 B9R1.35 Cc1coc(C(=O)O)c1 Amb18642368 [0,2,0,0,0,0|0,0,0]=2 3646 B9R1.35 Cc1coc(C(=O)O)n1 Amb18832706 [0,2,0,0,0,0|1,0,0]=3 3647 B9R1.35 Cc1coc(C(=O)[O-])n1 Amb30585199 [0,2,0,0,0,0|1,0,0]=3 3648 B9R1.35 Cc1coc(C(C)O)c1 Amb28049143 [0,2,0,0,0,0|0,0,2]=4 3649 B9R1.35 Cc1coc([C@H](C)N)c1 Amb28367125 [0,2,0,0,0,0|1,0,1]=4 3650 B9R1.35 Cc1coc([N+](=O)[O-])c1 Amb27230229 [0,2,0,0,0,0|1,0,0]=3 3651 B9R1.35 Cc1csc(C(=N)N)c1 Amb28120709 [0,2,0,0,0,0|1,1,0]=4 3652 B9R1.35 Cc1csc(C(=O)Cl)c1 Amb2691601 [0,2,0,0,0,0|0,1,0]=3 3653 B9R1.35 Cc1csc(C(=O)O)c1 Amb2691600 [0,2,0,0,0,0|0,1,0]=3 3654 B9R1.35 Cc1csc(C(=O)O)n1 Amb5759010 [0,2,0,0,0,0|1,1,0]=4 3655 B9R1.35 Cc1csc(C(=O)[O-])n1 Amb9902127 [0,2,0,0,0,0|1,1,0]=4 3656 B9R1.35 Cc1csc(C(N)=O)c1 Amb2691602 [0,2,0,0,0,0|0,1,0]=3 3657 B9R1.35 Cc1csc(C(N)=S)c1 Amb33312047 [0,2,0,0,0,0|0,2,0]=4 3658 B9R1.35 Cc1csc(S(=O)[O-])c1 Amb32755389 [0,2,0,0,0,0|1,1,0]=4 3659 B9R1.35 Cc1csc([N+](=O)[O-])c1 Amb24524204 [0,2,0,0,0,0|1,1,0]=4 3660 B9R1.35 Cc1nc(C(=O)Cl)co1 Amb22736505 [0,2,0,0,0,0|2,0,0]=4 3661 B9R1.35 Cc1nc(C(=O)Cl)cs1 Amb6572009 [0,2,0,0,0,0|2,0,0]=4 3662 B9R1.35 Cc1nc(C(=O)Cl)cs1 Amb8630401 [0,2,0,0,0,0|2,0,0]=4 3663 B9R1.35 Cc1nc(C(=O)O)co1 Amb6307241 [0,2,0,0,0,0|2,0,0]=4 3664 B9R1.35 Cc1nc(C(=O)O)cs1 Amb22587710 [0,2,0,0,0,0|2,0,0]=4 3665 B9R1.35 Cc1nc(C(=O)O)cs1 Amb2723085 [0,2,0,0,0,0|2,0,0]=4 3666 B9R1.35 Cc1nc(C(=O)O)cs1 Amb33446967 [0,2,0,0,0,0|2,0,0]=4 3667 B9R1.35 Cc1nc(C(N)=O)co1 Amb8483752 [0,2,0,0,0,0|2,0,0]=4 3668 B9R1.35 Cc1nc(C(N)=O)cs1 Amb4477412 [0,2,0,0,0,0|2,0,0]=4 3669 B9R1.35 Cc1ncc(C(=O)O)o1 Amb17399815 [0,2,0,0,0,0|1,0,0]=3 3670 B9R1.35 Cc1ncc(C(=O)O)s1 Amb8630402 [0,2,0,0,0,0|1,1,0]=4 3671 B9R1.35 Cc1ncc(C(N)=O)s1 Amb13952295 [0,2,0,0,0,0|1,1,0]=4 3672 B9R1.35 Cc1ncc(S(=O)[O-])o1 Amb32755341 [0,2,0,0,0,0|2,0,0]=4 3673 B9R1.35 Cc1nnc(C(=O)Cl)o1 Amb22169651 [0,2,0,0,0,0|2,0,0]=4 3674 B9R1.35 Cc1nnc(C(=O)O)o1 Amb3941251 [0,2,0,0,0,0|2,0,0]=4 3675 B9R1.35 Cc1nnc(C(=O)[O-])o1 Amb17617582 [0,2,0,0,0,0|2,0,0]=4 3676 B9R1.35 Cc1nnc(C(=O)[O-])o1 Amb21937025 [0,2,0,0,0,0|2,0,0]=4 3677 B9R1.35 Cc1nnc(C(N)=O)o1 Amb27193971 [0,2,0,0,0,0|2,0,0]=4 3678 B9R1.35 Cc1noc(C(=O)O)n1 Amb18687563 [0,2,0,0,0,0|2,0,0]=4 3679 B9R1.35 Cc1noc(C(=O)[O-])n1 Amb21963031 [0,2,0,0,0,0|2,0,0]=4 3680 B9R1.35 Cc1noc(C(=O)[O-])n1 Amb33334619 [0,2,0,0,0,0|2,0,0]=4 3681 B9R1.35 Cn1ccc(C(=O)Cl)n1 Amb2723918 [0,2,0,0,0,0|2,0,0]=4 3682 B9R1.35 Cn1ccc(C(=O)O)c1 Amb10603441 [0,2,0,0,0,0|2,0,0]=4 3683 B9R1.35 Cn1ccc(C(=O)O)n1 Amb33544330 [0,2,0,0,0,0|2,0,0]=4 3684 B9R1.35 Cn1ccc(C(N)=O)c1 Amb18243390 [0,2,0,0,0,0|2,0,0]=4 3685 B9R1.35 Cn1ccc(C(N)=O)n1 Amb6572626 [0,2,0,0,0,0|2,0,0]=4 3686 B9R1.35 Cn1cnc(C(=O)O)c1 Amb33545050 [0,2,0,0,0,0|2,0,0]=4 3687 B9R1.35 Cn1cnc(C(N)=O)c1 Amb9677665 [0,2,0,0,0,0|2,0,0]=4 3688 B9R1.35 FC(F)c1cc(Br)co1 Amb32419656 [0,2,0,0,0,0|1,0,1]=4 3689 B9R1.35 FC(F)c1ccc(Br)o1 Amb26449151 [0,2,0,0,0,0|1,0,1]=4 3690 B9R1.35 FC(F)c1ccc(I)o1 Amb22008359 [0,2,0,0,0,0|1,0,1]=4 3691 B9R1.35 N=C(N)c1cc(Br)co1 Amb33434374 [0,2,0,0,0,0|1,0,0]=3 3692 B9R1.35 N=C(N)c1cc(Br)cs1 Amb8834133 [0,2,0,0,0,0|1,1,0]=4 3693 B9R1.35 N=C(N)c1cc(Cl)cs1 Amb23447090 [0,2,0,0,0,0|1,1,0]=4 3694 B9R1.35 N=C(N)c1ccc(Br)o1 Amb8834130 [0,2,0,0,0,0|1,0,0]=3 3695 B9R1.35 N=C(N)c1ccc(Br)s1 Amb17601641 [0,2,0,0,0,0|1,1,0]=4 3696 B9R1.35 N=C(N)c1ccc(Cl)o1 Amb28075240 [0,2,0,0,0,0|1,0,0]=3 3697 B9R1.35 N=C(N)c1ccc(Cl)s1 Amb10609838 [0,2,0,0,0,0|1,1,0]=4 3698 B9R1.35 N=C(N)c1ccc(Cl)s1 Amb8834135 [0,2,0,0,0,0|1,1,0]=4 3699 B9R1.35 N=C(N)c1ccc(I)o1 Amb17601640 [0,2,0,0,0,0|1,0,0]=3 3700 B9R1.35 NC(=O)C1=CC(=S)SS1 Amb27862499 [0,2,0,0,0,0|1,1,0]=4 3701 B9R1.35 NC(=O)C1=CNC(=O)C1 Amb27638843 [0,2,0,0,0,0|2,0,0]=4 3702 B9R1.35 NC(=O)C1=CNC(=S)N1 Amb25992382 [0,2,0,0,0,0|2,0,0]=4 3703 B9R1.35 NC(=O)C1=CSC(=S)S1 Amb28246404 [0,2,0,0,0,0|1,1,0]=4 3704 B9R1.35 NC(=O)c1cc(Br)co1 Amb22044254 [0,2,0,0,0,0|0,0,0]=2 3705 B9R1.35 NC(=O)c1cc(Br)cs1 Amb8089669 [0,2,0,0,0,0|0,1,0]=3 3706 B9R1.35 NC(=O)c1cc(Cl)no1 Amb25887411 [0,2,0,0,0,0|1,0,0]=3 3707 B9R1.35 NC(=O)c1cc(N)cs1 Amb26967551 [0,2,0,0,0,0|0,1,0]=3 3708 B9R1.35 NC(=O)c1cc(N)on1 Amb25858665 [0,2,0,0,0,0|2,0,0]=4 3709 B9R1.35 NC(=O)c1cc(O)cs1 Amb26512603 [0,2,0,0,0,0|0,1,0]=3 3710 B9R1.35 NC(=O)c1cc(O)no1 Amb22495931 [0,2,0,0,0,0|1,0,0]=3 3711 B9R1.35 NC(=O)c1ccc(Br)o1 Amb8335806 [0,2,0,0,0,0|0,0,0]=2 3712 B9R1.35 NC(=O)c1ccc(Br)s1 Amb6491031 [0,2,0,0,0,0|0,1,0]=3 3713 B9R1.35 NC(=O)c1ccc(Cl)o1 Amb27203205 [0,2,0,0,0,0|0,0,0]=2 3714 B9R1.35 NC(=O)c1ccc(Cl)s1 Amb1948780 [0,2,0,0,0,0|0,1,0]=3 3715 B9R1.35 NC(=O)c1ccc(F)s1 Amb23449713 [0,2,0,0,0,0|0,1,0]=3 3716 B9R1.35 NC(=O)c1ccc(I)o1 Amb780127 [0,2,0,0,0,0|0,0,0]=2 3717 B9R1.35 NC(=O)c1ccc(I)s1 Amb27792049 [0,2,0,0,0,0|0,1,0]=3 3718 B9R1.35 NC(=O)c1ccc(N)s1 Amb18831646 [0,2,0,0,0,0|0,1,0]=3 3719 B9R1.35 NC(=O)c1cn(N)cn1 Amb27393138 [0,2,0,0,0,0|2,0,0]=4 3720 B9R1.35 NC(=O)c1cnc(Br)s1 Amb19958304 [0,2,0,0,0,0|1,1,0]=4 3721 B9R1.35 NC(=O)c1cnc(N)o1 Amb23400984 [0,2,0,0,0,0|1,0,0]=3 3722 B9R1.35 NC(=O)c1cnc(N)s1 Amb477913 [0,2,0,0,0,0|1,1,0]=4 3723 B9R1.35 NC(=O)c1coc(Br)c1 Amb20626410 [0,2,0,0,0,0|2,0,0]=4 3724 B9R1.35 NC(=O)c1coc(Br)n1 Amb22490827 [0,2,0,0,0,0|2,0,0]=4 3725 B9R1.35 NC(=O)c1coc(N)n1 Amb24383446 [0,2,0,0,0,0|2,0,0]=4 3726 B9R1.35 NC(=O)c1csc(Br)c1 Amb8999089 [0,2,0,0,0,0|2,0,0]=4 3727 B9R1.35 NC(=O)c1csc(Br)n1 Amb10602040 [0,2,0,0,0,0|2,0,0]=4 3728 B9R1.35 NC(=O)c1csc(Cl)c1 Amb8439394 [0,2,0,0,0,0|2,0,0]=4 3729 B9R1.35 NC(=O)c1csc(Cl)n1 Amb10608523 [0,2,0,0,0,0|2,0,0]=4 3730 B9R1.35 NC(=O)c1csc(F)n1 Amb27860181 [0,2,0,0,0,0|2,0,0]=4 3731 B9R1.35 NC(=O)c1csc(I)c1 Amb20643996 [0,2,0,0,0,0|2,0,0]=4 3732 B9R1.35 NC(=O)c1csc(I)n1 Amb25237542 [0,2,0,0,0,0|2,0,0]=4 3733 B9R1.35 NC(=O)c1csc(N)c1 Amb24744487 [0,2,0,0,0,0|2,0,0]=4 3734 B9R1.35 NC(=O)c1csc(N)n1 Amb7173178 [0,2,0,0,0,0|2,0,0]=4 3735 B9R1.35 NC(=O)c1nc(Br)cs1 Amb26973893 [0,2,0,0,0,0|1,1,0]=4 3736 B9R1.35 NC(=O)c1nc(Cl)cs1 Amb28256557 [0,2,0,0,0,0|1,1,0]=4 3737 B9R1.35 NC(=O)c1nc(S)cs1 Amb28292300 [0,2,0,0,0,0|1,1,0]=4 3738 B9R1.35 NC(=O)c1ncc(Cl)s1 Amb22753105 [0,2,0,0,0,0|1,1,0]=4 3739 B9R1.35 NC(=O)c1ncc(I)s1 Amb22753109 [0,2,0,0,0,0|1,1,0]=4 3740 B9R1.35 NC(=O)c1ncc(N)s1 Amb22489884 [0,2,0,0,0,0|1,1,0]=4 3741 B9R1.35 NC(=O)c1nnc(N)o1 Amb1063100 [0,2,0,0,0,0|2,0,0]=4 3742 B9R1.35 NC(=O)n1cc(Br)cn1 Amb24053200 [0,2,0,0,0,0|2,0,0]=4 3743 B9R1.35 NC(=S)c1cc(Br)co1 Amb33263390 [0,2,0,0,0,0|0,1,0]=3 3744 B9R1.35 NC(=S)c1cc(Br)cs1 Amb9210491 [0,2,0,0,0,0|0,2,0]=4 3745 B9R1.35 NC(=S)c1cc(Cl)cs1 Amb27161924 [0,2,0,0,0,0|0,2,0]=4 3746 B9R1.35 NC(=S)c1ccc(Br)o1 Amb1117160 [0,2,0,0,0,0|0,1,0]=3 3747 B9R1.35 NC(=S)c1ccc(Br)s1 Amb8834044 [0,2,0,0,0,0|0,2,0]=4 3748 B9R1.35 NC(=S)c1ccc(Cl)o1 Amb33259040 [0,2,0,0,0,0|0,1,0]=3 3749 B9R1.35 NC(=S)c1ccc(Cl)s1 Amb8834049 [0,2,0,0,0,0|0,2,0]=4 3750 B9R1.35 NC(=S)c1ccc(F)s1 Amb26362282 [0,2,0,0,0,0|0,2,0]=4 3751 B9R1.35 NC1=CC=C([N+](=O)[O-])C1 Amb26865186 [0,2,0,0,0,0|2,0,0]=4 3752 B9R1.35 Nc1cc(C(=O)O)co1 Amb27771371 [0,2,0,0,0,0|2,0,0]=4 3753 B9R1.35 Nc1cc(C(=O)O)cs1 Amb18280928 [0,2,0,0,0,0|2,0,0]=4 3754 B9R1.35 Nc1cc(C(=O)O)cs1 Amb32658032 [0,2,0,0,0,0|2,0,0]=4 3755 B9R1.35 Nc1cc(C(=O)O)no1 Amb18832652 [0,2,0,0,0,0|2,0,0]=4 3756 B9R1.35 Nc1cc(C(=O)O)ns1 Amb27398352 [0,2,0,0,0,0|2,0,0]=4 3757 B9R1.35 Nc1cc(C(=O)O)on1 Amb18832657 [0,2,0,0,0,0|1,0,0]=3 3758 B9R1.35 Nc1ccc(C(=O)O)o1 Amb18946756 [0,2,0,0,0,0|0,0,0]=2 3759 B9R1.35 Nc1ccc(C(=O)O)s1 Amb18831593 [0,2,0,0,0,0|0,1,0]=3 3760 B9R1.35 Nc1ccc([N+](=O)[O-])o1 Amb18832656 [0,2,0,0,0,0|1,0,0]=3 3761 B9R1.35 Nc1ccc([N+](=O)[O-])s1 Amb18202412 [0,2,0,0,0,0|1,1,0]=4 3762 B9R1.35 Nc1cnc(C(=O)O)s1 Amb22235290 [0,2,0,0,0,0|1,1,0]=4 3763 B9R1.35 Nc1cnc(C(=O)O)s1 Amb22899439 [0,2,0,0,0,0|1,1,0]=4 3764 B9R1.35 Nc1csc(C(=O)O)c1 Amb10602581 [0,2,0,0,0,0|0,1,0]=3 3765 B9R1.35 Nc1csc(C(=O)O)c1 Amb18124637 [0,2,0,0,0,0|0,1,0]=3 3766 B9R1.35 Nc1csc(C(=O)O)n1 Amb25978066 [0,2,0,0,0,0|1,1,0]=4 3767 B9R1.35 Nc1csc(C(=O)[O-])n1 Amb35789848 [0,2,0,0,0,0|1,1,0]=4 3768 B9R1.35 Nc1nc(C(=O)O)co1 Amb10879778 [0,2,0,0,0,0|2,0,0]=4 3769 B9R1.35 Nc1nc(C(=O)O)cs1 Amb10067797 [0,2,0,0,0,0|2,0,0]=4 3770 B9R1.35 Nc1nc(C(=O)O)cs1 Amb33528356 [0,2,0,0,0,0|2,0,0]=4 3771 B9R1.35 Nc1nc(C(=O)[O-])cs1 Amb33512918 [0,2,0,0,0,0|2,0,0]=4 3772 B9R1.35 Nc1ncc(C(=O)O)o1 Amb19959202 [0,2,0,0,0,0|1,0,0]=3 3773 B9R1.35 Nc1ncc(C(=O)O)s1 Amb7172637 [0,2,0,0,0,0|1,1,0]=4 3774 B9R1.35 Nc1nnc(C(=O)O)o1 Amb18832581 [0,2,0,0,0,0|2,0,0]=4 3775 B9R1.35 Nc1nnc(C(=O)[O-])o1 Amb33457266 [0,2,0,0,0,0|2,0,0]=4 3776 B9R1.35 Nc1noc(C(=O)O)n1 Amb25911736 [0,2,0,0,0,0|2,0,0]=4 3777 B9R1.35 Nn1ccc(C(=O)O)n1 Amb18642484 [0,2,0,0,0,0|2,0,0]=4 3778 B9R1.35 O=C(Br)c1ccc(Br)o1 Amb17939056 [0,2,0,0,0,0|0,0,0]=2 3779 B9R1.35 O=C(Br)c1ccc(Br)s1 Amb27438585 [0,2,0,0,0,0|0,1,0]=3 3780 B9R1.35 O=C(Br)c1ccc(Cl)s1 Amb28286939 [0,2,0,0,0,0|0,1,0]=3 3781 B9R1.35 O=C(Cl)c1cc(Br)cs1 Amb2723433 [0,2,0,0,0,0|0,1,0]=3 3782 B9R1.35 O=C(Cl)c1cc(Cl)cs1 Amb28254474 [0,2,0,0,0,0|0,1,0]=3 3783 B9R1.35 O=C(Cl)c1cc(Cl)no1 Amb26936349 [0,2,0,0,0,0|1,0,0]=3 3784 B9R1.35 O=C(Cl)c1ccc(Br)o1 Amb2685261 [0,2,0,0,0,0|0,0,0]=2 3785 B9R1.35 O=C(Cl)c1ccc(Br)s1 Amb6743401 [0,2,0,0,0,0|0,1,0]=3 3786 B9R1.35 O=C(Cl)c1ccc(Cl)o1 Amb27953619 [0,2,0,0,0,0|0,0,0]=2 3787 B9R1.35 O=C(Cl)c1ccc(Cl)s1 Amb7173092 [0,2,0,0,0,0|0,1,0]=3 3788 B9R1.35 O=C(Cl)c1ccc(F)o1 Amb28196417 [0,2,0,0,0,0|0,0,0]=2 3789 B9R1.35 O=C(Cl)c1ccc(F)s1 Amb23449712 [0,2,0,0,0,0|0,1,0]=3 3790 B9R1.35 O=C(Cl)c1ccc(I)o1 Amb27438212 [0,2,0,0,0,0|0,0,0]=2 3791 B9R1.35 O=C(Cl)c1cnc(Br)s1 Amb25208694 [0,2,0,0,0,0|1,1,0]=4 3792 B9R1.35 O=C(Cl)c1cnc(Cl)o1 Amb26424767 [0,2,0,0,0,0|1,0,0]=3 3793 B9R1.35 O=C(Cl)c1cnc(Cl)s1 Amb6572318 [0,2,0,0,0,0|1,1,0]=4 3794 B9R1.35 O=C(Cl)c1csc(Br)c1 Amb27221187 [0,2,0,0,0,0|2,0,0]=4 3795 B9R1.35 O=C(Cl)c1csc(Br)n1 Amb24478753 [0,2,0,0,0,0|2,0,0]=4 3796 B9R1.35 O=C(Cl)c1csc(Cl)n1 Amb22551861 [0,2,0,0,0,0|2,0,0]=4 3797 B9R1.35 O=C(F)c1ccc(Br)o1 Amb28254044 [0,2,0,0,0,0|0,0,0]=2 3798 B9R1.35 O=C(O)C1=CNC(=S)N1 Amb22586764 [0,2,0,0,0,0|2,0,0]=4 3799 B9R1.35 O=C(O)c1cc(Br)co1 Amb18129829 [0,2,0,0,0,0|0,0,0]=2 3800 B9R1.35 O=C(O)c1cc(Br)cs1 Amb1935172 [0,2,0,0,0,0|0,1,0]=3 3801 B9R1.35 O=C(O)c1cc(Br)no1 Amb10603676 [0,2,0,0,0,0|1,0,0]=3 3802 B9R1.35 O=C(O)c1cc(Br)ns1 Amb28204289 [0,2,0,0,0,0|1,1,0]=4 3803 B9R1.35 O=C(O)c1cc(Br)on1 Amb28388186 [0,2,0,0,0,0|2,0,0]=4 3804 B9R1.35 O=C(O)c1cc(Cl)co1 Amb18644297 [0,2,0,0,0,0|0,0,0]=2 3805 B9R1.35 O=C(O)c1cc(Cl)cs1 Amb16185757 [0,2,0,0,0,0|0,1,0]=3 3806 B9R1.35 O=C(O)c1cc(Cl)no1 Amb15701317 [0,2,0,0,0,0|1,0,0]=3 3807 B9R1.35 O=C(O)c1cc(Cl)ns1 Amb18189241 [0,2,0,0,0,0|1,1,0]=4 3808 B9R1.35 O=C(O)c1cc(Cl)on1 Amb26438976 [0,2,0,0,0,0|2,0,0]=4 3809 B9R1.35 O=C(O)c1cc(F)co1 Amb28141604 [0,2,0,0,0,0|0,0,0]=2 3810 B9R1.35 O=C(O)c1cc(F)cs1 Amb10602731 [0,2,0,0,0,0|0,1,0]=3 3811 B9R1.35 O=C(O)c1cc(I)on1 Amb24578190 [0,2,0,0,0,0|2,0,0]=4 3812 B9R1.35 O=C(O)c1cc(O)co1 Amb27494194 [0,2,0,0,0,0|0,0,0]=2 3813 B9R1.35 O=C(O)c1cc(O)cs1 Amb5720296 [0,2,0,0,0,0|0,1,0]=3 3814 B9R1.35 O=C(O)c1cc(O)no1 Amb9173684 [0,2,0,0,0,0|1,0,0]=3 3815 B9R1.35 O=C(O)c1cc(O)ns1 Amb24579600 [0,2,0,0,0,0|1,1,0]=4 3816 B9R1.35 O=C(O)c1ccc(Br)o1 Amb6335213 [0,2,0,0,0,0|0,0,0]=2 3817 B9R1.35 O=C(O)c1ccc(Br)s1 Amb6341887 [0,2,0,0,0,0|0,1,0]=3 3818 B9R1.35 O=C(O)c1ccc(Cl)o1 Amb1107530 [0,2,0,0,0,0|0,0,0]=2 3819 B9R1.35 O=C(O)c1ccc(Cl)s1 Amb1152956 [0,2,0,0,0,0|0,1,0]=3 3820 B9R1.35 O=C(O)c1ccc(F)o1 Amb23538033 [0,2,0,0,0,0|0,0,0]=2 3821 B9R1.35 O=C(O)c1ccc(F)s1 Amb33542618 [0,2,0,0,0,0|0,1,0]=3 3822 B9R1.35 O=C(O)c1ccc(I)o1 Amb2459665 [0,2,0,0,0,0|0,0,0]=2 3823 B9R1.35 O=C(O)c1ccc(I)s1 Amb22002319 [0,2,0,0,0,0|0,1,0]=3 3824 B9R1.35 O=C(O)c1cnc(Br)o1 Amb22432570 [0,2,0,0,0,0|1,0,0]=3 3825 B9R1.35 O=C(O)c1cnc(Br)s1 Amb6600495 [0,2,0,0,0,0|1,1,0]=4 3826 B9R1.35 O=C(O)c1cnc(Cl)o1 Amb26652765 [0,2,0,0,0,0|1,0,0]=3 3827 B9R1.35 O=C(O)c1cnc(Cl)s1 Amb2432444 [0,2,0,0,0,0|1,1,0]=4 3828 B9R1.35 O=C(O)c1cnc(F)s1 Amb24329329 [0,2,0,0,0,0|1,1,0]=4 3829 B9R1.35 O=C(O)c1cnc(O)o1 Amb25178101 [0,2,0,0,0,0|1,0,0]=3 3830 B9R1.35 O=C(O)c1cnc(S)s1 Amb27401807 [0,2,0,0,0,0|1,1,0]=4 3831 B9R1.35 O=C(O)c1coc(Br)c1 Amb1111481 [0,2,0,0,0,0|2,0,0]=4 3832 B9R1.35 O=C(O)c1coc(Br)n1 Amb21857043 [0,2,0,0,0,0|2,0,0]=4 3833 B9R1.35 O=C(O)c1coc(Cl)c1 Amb22284566 [0,2,0,0,0,0|2,0,0]=4 3834 B9R1.35 O=C(O)c1coc(Cl)n1 Amb16232458 [0,2,0,0,0,0|2,0,0]=4 3835 B9R1.35 O=C(O)c1coc(F)c1 Amb27847282 [0,2,0,0,0,0|2,0,0]=4 3836 B9R1.35 O=C(O)c1coc(F)n1 Amb22756381 [0,2,0,0,0,0|2,0,0]=4 3837 B9R1.35 O=C(O)c1coc(I)c1 Amb13952880 [0,2,0,0,0,0|2,0,0]=4 3838 B9R1.35 O=C(O)c1coc(I)n1 Amb22000930 [0,2,0,0,0,0|2,0,0]=4 3839 B9R1.35 O=C(O)c1coc(O)n1 Amb24481698 [0,2,0,0,0,0|2,0,0]=4 3840 B9R1.35 O=C(O)c1coc(S)n1 Amb27212072 [0,2,0,0,0,0|2,0,0]=4 3841 B9R1.35 O=C(O)c1csc(Br)c1 Amb2372549 [0,2,0,0,0,0|2,0,0]=4 3842 B9R1.35 O=C(O)c1csc(Br)n1 Amb2455706 [0,2,0,0,0,0|2,0,0]=4 3843 B9R1.35 O=C(O)c1csc(Br)n1 Amb32665794 [0,2,0,0,0,0|2,0,0]=4 3844 B9R1.35 O=C(O)c1csc(Cl)c1 Amb2611689 [0,2,0,0,0,0|2,0,0]=4 3845 B9R1.35 O=C(O)c1csc(Cl)n1 Amb8630269 [0,2,0,0,0,0|2,0,0]=4 3846 B9R1.35 O=C(O)c1csc(F)c1 Amb2611691 [0,2,0,0,0,0|2,0,0]=4 3847 B9R1.35 O=C(O)c1csc(F)n1 Amb25147077 [0,2,0,0,0,0|2,0,0]=4 3848 B9R1.35 O=C(O)c1csc(I)c1 Amb13952879 [0,2,0,0,0,0|2,0,0]=4 3849 B9R1.35 O=C(O)c1csc(I)n1 Amb8630396 [0,2,0,0,0,0|2,0,0]=4 3850 B9R1.35 O=C(O)c1csc(O)c1 Amb26638056 [0,2,0,0,0,0|2,0,0]=4 3851 B9R1.35 O=C(O)c1csc(O)n1 Amb27142660 [0,2,0,0,0,0|2,0,0]=4 3852 B9R1.35 O=C(O)c1csc(S)n1 Amb24480164 [0,2,0,0,0,0|2,0,0]=4 3853 B9R1.35 O=C(O)c1nc(Br)co1 Amb22754333 [0,2,0,0,0,0|1,0,0]=3 3854 B9R1.35 O=C(O)c1nc(Br)cs1 Amb13883510 [0,2,0,0,0,0|1,1,0]=4 3855 B9R1.35 O=C(O)c1nc(Cl)cs1 Amb26941525 [0,2,0,0,0,0|1,1,0]=4 3856 B9R1.35 O=C(O)c1nc(F)cs1 Amb27629831 [0,2,0,0,0,0|1,1,0]=4 3857 B9R1.35 O=C(O)c1nc(O)cs1 Amb35710163 [0,2,0,0,0,0|1,1,0]=4 3858 B9R1.35 O=C(O)c1ncc(Br)s1 Amb10606388 [0,2,0,0,0,0|1,1,0]=4 3859 B9R1.35 O=C(O)c1ncc(Cl)s1 Amb33543981 [0,2,0,0,0,0|1,1,0]=4 3860 B9R1.35 O=C(O)c1ncc(I)s1 Amb27866039 [0,2,0,0,0,0|1,1,0]=4 3861 B9R1.35 O=C(O)c1nnc(Br)o1 Amb18190404 [0,2,0,0,0,0|2,0,0]=4 3862 B9R1.35 O=C([O-])c1cc([O-])on1 Amb33309471 [0,2,0,0,0,0|2,0,0]=4 3863 B9R1.35 O=C([O-])c1nc(Br)cs1 Amb33456257 [0,2,0,0,0,0|1,1,0]=4 3864 B9R1.35 O=C([O-])c1ncc(Br)s1 Amb32653175 [0,2,0,0,0,0|1,1,0]=4 3865 B9R1.35 O=C1C=C(C(=O)O)CC1 Amb13883804 [0,2,0,0,0,0|1,0,1]=4 3866 B9R1.35 O=C1C=C(C(=O)O)NN1 Amb18944048 [0,2,0,0,0,0|2,0,0]=4 3867 B9R1.35 O=C1C=C(C(=O)O)ON1 Amb19889163 [0,2,0,0,0,0|1,0,0]=3 3868 B9R1.35 O=C1C=CC(=C(Cl)Cl)O1 Amb27237262 [0,2,0,0,0,0|1,0,0]=3 3869 B9R1.35 O=C1C=CC(C(=O)O)C1 Amb26002884 [0,2,0,0,0,0|1,0,1]=4 3870 B9R1.35 O=C1C=CC(C(=O)O)N1 Amb27775192 [0,2,0,0,0,0|1,0,1]=4 3871 B9R1.35 O=C1CC(C(=O)O)=CN1 Amb18832707 [0,2,0,0,0,0|2,0,0]=4 3872 B9R1.35 O=C1CC(C(=O)O)=CO1 Amb3499387 [0,2,0,0,0,0|2,0,0]=4 3873 B9R1.35 O=C1NC=C(C(=O)O)N1 Amb18278248 [0,2,0,0,0,0|2,0,0]=4 3874 B9R1.35 O=C1NC=C(C(=O)O)S1 Amb33531086 [0,2,0,0,0,0|1,1,0]=4 3875 B9R1.35 O=S(Cl)c1ccc(Br)s1 Amb18577477 [0,2,0,0,0,0|1,1,0]=4 3876 B9R1.35 O=S(Cl)c1ccc(Cl)s1 Amb18066388 [0,2,0,0,0,0|1,1,0]=4 3877 B9R1.35 O=S(O)c1cc(Br)cs1 Amb18867802 [0,2,0,0,0,0|1,1,0]=4 3878 B9R1.35 O=S(O)c1ccc(Br)s1 Amb18571234 [0,2,0,0,0,0|1,1,0]=4 3879 B9R1.35 O=S(O)c1ccc(Cl)s1 Amb18560136 [0,2,0,0,0,0|1,1,0]=4 3880 B9R1.35 O=S([O-])c1cc(Br)cs1 Amb26014675 [0,2,0,0,0,0|1,1,0]=4 3881 B9R1.35 O=S([O-])c1ccc(Br)o1 Amb32754631 [0,2,0,0,0,0|1,0,0]=3 3882 B9R1.35 O=S([O-])c1ccc(Br)s1 Amb19929132 [0,2,0,0,0,0|1,1,0]=4 3883 B9R1.35 O=S([O-])c1ccc(Cl)o1 Amb33457760 [0,2,0,0,0,0|1,0,0]=3 3884 B9R1.35 O=S([O-])c1ccc(Cl)s1 Amb24654148 [0,2,0,0,0,0|1,1,0]=4 3885 B9R1.35 O=[N+]([O-])c1cc(Br)cs1 Amb10574144 [0,2,0,0,0,0|1,1,0]=4 3886 B9R1.35 O=[N+]([O-])c1cc(Cl)cs1 Amb27162108 [0,2,0,0,0,0|1,1,0]=4 3887 B9R1.35 O=[N+]([O-])c1cc(F)cs1 Amb27455104 [0,2,0,0,0,0|1,1,0]=4 3888 B9R1.35 O=[N+]([O-])c1ccc(Br)o1 Amb5494066 [0,2,0,0,0,0|1,0,0]=3 3889 B9R1.35 O=[N+]([O-])c1ccc(Br)s1 Amb2707740 [0,2,0,0,0,0|1,1,0]=4 3890 B9R1.35 O=[N+]([O-])c1ccc(Cl)s1 Amb10609919 [0,2,0,0,0,0|1,1,0]=4 3891 B9R1.35 O=[N+]([O-])c1ccc(F)s1 Amb19892814 [0,2,0,0,0,0|1,1,0]=4 3892 B9R1.35 O=[N+]([O-])c1ccc(I)o1 Amb27462533 [0,2,0,0,0,0|1,0,0]=3 3893 B9R1.35 O=[N+]([O-])c1ccc(I)s1 Amb6843922 [0,2,0,0,0,0|1,1,0]=4 3894 B9R1.35 O=[N+]([O-])c1ccc(O)o1 Amb25025913 [0,2,0,0,0,0|1,0,0]=3 3895 B9R1.35 O=[N+]([O-])c1ccc(O)s1 Amb21964257 [0,2,0,0,0,0|1,1,0]=4 3896 B9R1.35 O=[N+]([O-])c1ccc(S)s1 Amb33374248 [0,2,0,0,0,0|1,1,0]=4 3897 B9R1.35 OB(O)c1cc(Br)co1 Amb24312747 [0,2,0,0,0,0|1,0,1]=4 3898 B9R1.35 OB(O)c1ccc(Br)o1 Amb24312807 [0,2,0,0,0,0|1,0,1]=4 3899 B9R1.35 OC(=S)c1ccc(Br)o1 Amb27186020 [0,2,0,0,0,0|0,0,1]=3 3900 B9R1.35 OC(O)c1ccc(Br)o1 Amb27631640 [0,2,0,0,0,0|0,0,2]=4 3901 B9R1.35 [NH3+]c1nc(C(=O)O)cs1 Amb2694742 [0,2,0,0,0,0|2,0,0]=4 3902 B9R1.125 CC1=CC(C)(C=O)N=C1 Amb27830168 [0,2,0,0,0,0|1,0,1]=4 3903 B9R1.132 C=Cc1scc(C)c1Br Amb33434265 [0,2,0,0,0,0|1,1,0]=4 3904 B9R1.132 CC1=C(C=O)CCC1=O Amb27750321 [0,2,0,0,0,0|1,0,1]=4 3905 B9R1.132 CC1=C(C=O)SSC1=O Amb27592986 [0,2,0,0,0,0|1,1,0]=4 3906 B9R1.132 Cc1c(Br)csc1C=O Amb10607132 [0,2,0,0,0,0|0,1,0]=3 3907 B9R1.132 Cc1c(C=O)ccn1C Amb23100946 [0,2,0,0,0,0|2,0,0]=4 3908 B9R1.132 Cc1c(C=O)coc1Br Amb18681280 [0,2,0,0,0,0|2,0,0]=4 3909 B9R1.132 Cc1c(C=O)csc1Br Amb18681346 [0,2,0,0,0,0|2,0,0]=4 3910 B9R1.132 Cc1c(C=O)csc1N Amb18146232 [0,2,0,0,0,0|2,0,0]=4 3911 B9R1.132 Cc1c(C=O)ncn1C Amb8010961 [0,2,0,0,0,0|2,0,0]=4 3912 B9R1.132 Cc1c(C=O)noc1O Amb27847206 [0,2,0,0,0,0|2,0,0]=4 3913 B9R1.132 Cc1c(N)coc1C=O Amb18832844 [0,2,0,0,0,0|0,0,0]=2 3914 B9R1.132 Cc1c(N)csc1C=O Amb18831713 [0,2,0,0,0,0|0,1,0]=3 3915 B9R1.132 Cc1ccc(C=O)n1C Amb857675 [0,2,0,0,0,0|1,0,0]=3 3916 B9R1.132 Cc1ccn(C=O)c1C Amb24648826 [0,2,0,0,0,0|2,0,0]=4 3917 B9R1.132 Cc1cnc(C=O)n1C Amb8010960 [0,2,0,0,0,0|2,0,0]=4 3918 B9R1.132 Cc1coc(C=O)c1Br Amb18187328 [0,2,0,0,0,0|0,0,0]=2 3919 B9R1.132 Cc1coc(C=O)c1C Amb28130434 [0,2,0,0,0,0|0,0,0]=2 3920 B9R1.132 Cc1csc(C=O)[n+]1[O-] Amb27945597 [0,2,0,0,0,0|1,1,0]=4 3921 B9R1.132 Cc1csc(C=O)c1Br Amb18129700 [0,2,0,0,0,0|0,1,0]=3 3922 B9R1.132 Cc1csc(C=O)c1Cl Amb22886669 [0,2,0,0,0,0|0,1,0]=3 3923 B9R1.132 Cc1ncc(C=O)n1C Amb2723384 [0,2,0,0,0,0|2,0,0]=4 3924 B9R1.132 Cc1noc(C=O)c1I Amb26394504 [0,2,0,0,0,0|1,0,0]=3 3925 B9R1.132 Cc1nsc(C=O)c1Br Amb25889466 [0,2,0,0,0,0|1,1,0]=4 3926 B9R1.132 Cc1occ(C=O)c1F Amb18832651 [0,2,0,0,0,0|2,0,0]=4 3927 B9R1.132 Cc1onc(C=O)c1C Amb18832863 [0,2,0,0,0,0|2,0,0]=4 3928 B9R1.132 Cc1scc(C=O)c1C Amb18643621 [0,2,0,0,0,0|2,0,0]=4 3929 B9R1.132 Cc1scc(C=O)c1F Amb18831513 [0,2,0,0,0,0|2,0,0]=4 3930 B9R1.132 Cc1snc(C=O)c1C Amb18202719 [0,2,0,0,0,0|2,0,0]=4 3931 B9R1.132 ClCc1occ(Cl)c1Cl Amb27444161 [0,2,0,0,0,0|1,0,1]=4 3932 B9R1.132 Cn1c(Br)cnc1C=O Amb6751940 [0,2,0,0,0,0|2,0,0]=4 3933 B9R1.132 Cn1c(C=O)cnc1Br Amb18129389 [0,2,0,0,0,0|2,0,0]=4 3934 B9R1.132 Cn1c(C=O)cnc1Cl Amb25835855 [0,2,0,0,0,0|2,0,0]=4 3935 B9R1.132 Cn1c(C=O)cnc1O Amb18832772 [0,2,0,0,0,0|2,0,0]=4 3936 B9R1.132 Cn1c(Cl)cnc1C=O Amb18644174 [0,2,0,0,0,0|2,0,0]=4 3937 B9R1.132 Cn1c(F)ccc1C=O Amb26448169 [0,2,0,0,0,0|1,0,0]=3 3938 B9R1.132 Cn1c(N)cnc1C=O Amb18832828 [0,2,0,0,0,0|2,0,0]=4 3939 B9R1.132 Cn1ccc(C=O)c1Cl Amb18831521 [0,2,0,0,0,0|2,0,0]=4 3940 B9R1.132 Cn1cnc(C=O)c1Br Amb18129385 [0,2,0,0,0,0|2,0,0]=4 3941 B9R1.132 Cn1cnc(C=O)c1N Amb27450021 [0,2,0,0,0,0|2,0,0]=4 3942 B9R1.132 N#Cc1occ(Cl)c1Cl Amb23538002 [0,2,0,0,0,0|1,0,1]=4 3943 B9R1.132 Nc1c(Br)coc1C=O Amb27252954 [0,2,0,0,0,0|0,0,0]=2 3944 B9R1.132 O=CC1=C(Cl)C(=O)SS1 Amb27625707 [0,2,0,0,0,0|1,1,0]=4 3945 B9R1.132 O=CC1=C(Cl)C(=S)SS1 Amb27412483 [0,2,0,0,0,0|1,1,0]=4 3946 B9R1.132 O=CC1=C(Cl)C(Cl)=CC1 Amb24678121 [0,2,0,0,0,0|1,0,0]=3 3947 B9R1.132 O=Cc1csc(Br)c1Br Amb33549076 [0,2,0,0,0,0|2,0,0]=4 3948 B9R1.132 O=Cc1csc(Cl)c1Cl Amb2611393 [0,2,0,0,0,0|2,0,0]=4 3949 B9R1.132 O=Cc1noc(O)c1Cl Amb27225175 [0,2,0,0,0,0|2,0,0]=4 3950 B9R1.132 O=Cc1nsc(Cl)c1Cl Amb28321948 [0,2,0,0,0,0|2,0,0]=4 3951 B9R1.132 O=Cc1scc(Br)c1Br Amb33549184 [0,2,0,0,0,0|0,1,0]=3 3952 B9R1.132 O=Cc1scc(Cl)c1Cl Amb25258774 [0,2,0,0,0,0|0,1,0]=3 3953 B9R1.132 O=Cc1snc(Cl)c1Cl Amb27827461 [0,2,0,0,0,0|1,1,0]=4 3954 B9R1.11 C#CC(=O)c1ccco1 Amb27465291 [0,2,0,0,0,0|0,0,0]=2 3955 B9R1.11 C#CC(=O)c1ccoc1 Amb27866790 [0,2,0,0,0,0|2,0,0]=4 3956 B9R1.11 C#CC(=O)c1ccsc1 Amb26510559 [0,2,0,0,0,0|2,0,0]=4 3957 B9R1.11 C#CC(=O)c1nccs1 Amb27600237 [0,2,0,0,0,0|1,1,0]=4 3958 B9R1.11 C#CC(C)c1ccco1 Amb33169149 [0,2,0,0,0,0|1,0,1]=4 3959 B9R1.11 C#C[C@H](O)c1ccco1 Amb27482121 [0,2,0,0,0,0|0,0,2]=4 3960 B9R1.11 C=C(C#N)c1cccs1 Amb17231891 [0,2,0,0,0,0|1,1,0]=4 3961 B9R1.11 C=C(CBr)c1ccco1 Amb33451440 [0,2,0,0,0,0|1,0,0]=3 3962 B9R1.11 C=C(CBr)c1cccs1 Amb26024920 [0,2,0,0,0,0|1,1,0]=4 3963 B9R1.11 C=C(CBr)c1cnco1 Amb33335682 [0,2,0,0,0,0|2,0,0]=4 3964 B9R1.11 C=C(CC)c1ccco1 Amb28119044 [0,2,0,0,0,0|1,0,0]=3 3965 B9R1.11 C=C(CC)c1cccs1 Amb27494295 [0,2,0,0,0,0|1,1,0]=4 3966 B9R1.11 C=C(CCl)c1ccco1 Amb28249972 [0,2,0,0,0,0|1,0,0]=3 3967 B9R1.11 C=C(CCl)c1cccs1 Amb25349350 [0,2,0,0,0,0|1,1,0]=4 3968 B9R1.11 C=C(CN)c1ccco1 Amb26971270 [0,2,0,0,0,0|1,0,0]=3 3969 B9R1.11 C=C(CN)c1cccs1 Amb18908327 [0,2,0,0,0,0|1,1,0]=4 3970 B9R1.11 C=C(CN)c1cnco1 Amb33414802 [0,2,0,0,0,0|2,0,0]=4 3971 B9R1.11 C=C(CO)c1cccs1 Amb27395559 [0,2,0,0,0,0|0,1,1]=4 3972 B9R1.11 C=CC(=O)c1ccco1 Amb16232452 [0,2,0,0,0,0|0,0,0]=2 3973 B9R1.11 C=CC(=O)c1cccs1 Amb18562033 [0,2,0,0,0,0|0,1,0]=3 3974 B9R1.11 C=CC(=O)c1ccns1 Amb27449528 [0,2,0,0,0,0|1,1,0]=4 3975 B9R1.11 C=CC(=O)c1ccoc1 Amb27227609 [0,2,0,0,0,0|2,0,0]=4 3976 B9R1.11 C=CC(=O)c1ccon1 Amb26516072 [0,2,0,0,0,0|2,0,0]=4 3977 B9R1.11 C=CC(=O)c1ccsc1 Amb24478667 [0,2,0,0,0,0|2,0,0]=4 3978 B9R1.11 C=CC(=O)c1cnco1 Amb33415607 [0,2,0,0,0,0|1,0,0]=3 3979 B9R1.11 C=CC(=O)c1cncs1 Amb26641774 [0,2,0,0,0,0|1,1,0]=4 3980 B9R1.11 C=CC(=O)c1cscn1 Amb25888952 [0,2,0,0,0,0|2,0,0]=4 3981 B9R1.11 C=CC(=O)c1nccs1 Amb33313059 [0,2,0,0,0,0|1,1,0]=4 3982 B9R1.11 C=CC(=O)n1cccc1 Amb28122830 [0,2,0,0,0,0|2,0,0]=4 3983 B9R1.11 C=CC(N)c1ccco1 Amb28073876 [0,2,0,0,0,0|1,0,0]=3 3984 B9R1.11 C=CC(N)c1cccs1 Amb28364292 [0,2,0,0,0,0|1,1,0]=4 3985 B9R1.11 C=CC(O)c1ccco1 Amb24332569 [0,2,0,0,0,0|1,0,0]=3 3986 B9R1.11 C=CC(O)c1cccs1 Amb25123773 [0,2,0,0,0,0|1,1,0]=4 3987 B9R1.11 C=CC(O)c1cnco1 Amb26905803 [0,2,0,0,0,0|2,0,0]=4 3988 B9R1.11 C=C[C@@H](N)c1ccco1 Amb27221032 [0,2,0,0,0,0|1,0,0]=3 3989 B9R1.11 CC(=[N+]=[N-])c1ccco1 Amb28368730 [0,2,0,0,0,0|1,0,0]=3 3990 B9R1.11 CC(=[N+]=[N-])c1cccs1 Amb27246823 [0,2,0,0,0,0|1,1,0]=4 3991 B9R1.11 CC(C#N)c1ccco1 Amb8950020 [0,2,0,0,0,0|1,0,1]=4 3992 B9R1.11 CC(C=O)c1ccco1 Amb18642174 [0,2,0,0,0,0|0,0,0]=2 3993 B9R1.11 CC(C=O)c1cccs1 Amb17138391 [0,2,0,0,0,0|0,1,0]=3 3994 B9R1.11 CC(C=O)c1ccoc1 Amb25888686 [0,2,0,0,0,0|2,0,0]=4 3995 B9R1.11 CC(C=O)c1ccon1 Amb33197568 [0,2,0,0,0,0|2,0,0]=4 3996 B9R1.11 CC(C=O)c1ccsc1 Amb18643620 [0,2,0,0,0,0|2,0,0]=4 3997 B9R1.11 CC(C=O)c1cnco1 Amb33295068 [0,2,0,0,0,0|1,0,0]=3 3998 B9R1.11 CC(C=O)c1cncs1 Amb33269136 [0,2,0,0,0,0|1,1,0]=4 3999 B9R1.11 CC(C=O)c1cscn1 Amb33417819 [0,2,0,0,0,0|2,0,0]=4 4000 B9R1.11 CC(C=O)c1nccs1 Amb33474029 [0,2,0,0,0,0|1,1,0]=4 4001 B9R1.11 CC(CBr)c1ccco1 Amb33262828 [0,2,0,0,0,0|1,0,1]=4 4002 B9R1.11 CC(CN)c1ccco1 Amb8950118 [0,2,0,0,0,0|1,0,1]=4 4003 B9R1.11 CC(CO)=C1C=CC=C1 Amb27981717 [0,2,0,0,0,0|1,0,1]=4 4004 B9R1.11 CC(NN)c1ccco1 Amb6251505 [0,2,0,0,0,0|1,0,1]=4 4005 B9R1.11 CC(NO)c1ccco1 Amb10605011 [0,2,0,0,0,0|0,0,2]=4 4006 B9R1.11 CC(ON)c1ccco1 Amb33360961 [0,2,0,0,0,0|0,0,2]=4 4007 B9R1.11 CCC(=O)c1ccco1 Amb844124 [0,2,0,0,0,0|0,0,0]=2 4008 B9R1.11 CCC(=O)c1cccs1 Amb2690591 [0,2,0,0,0,0|0,1,0]=3 4009 B9R1.11 CCC(=O)c1ccoc1 Amb27196907 [0,2,0,0,0,0|2,0,0]=4 4010 B9R1.11 CCC(=O)c1ccsc1 Amb6298062 [0,2,0,0,0,0|2,0,0]=4 4011 B9R1.11 CCC(=O)c1cnco1 Amb33328540 [0,2,0,0,0,0|1,0,0]=3 4012 B9R1.11 CCC(=O)c1cscn1 Amb24384180 [0,2,0,0,0,0|2,0,0]=4 4013 B9R1.11 CCC(=O)c1nccs1 Amb2592102 [0,2,0,0,0,0|1,1,0]=4 4014 B9R1.11 CCC(Cl)c1ccco1 Amb17138399 [0,2,0,0,0,0|1,0,1]=4 4015 B9R1.11 CCC(N)c1ccco1 Amb17061211 [0,2,0,0,0,0|1,0,1]=4 4016 B9R1.11 CCC(N)c1ccco1 Amb35745739 [0,2,0,0,0,0|1,0,1]=4 4017 B9R1.11 CCC(O)c1ccco1 Amb17138369 [0,2,0,0,0,0|0,0,2]=4 4018 B9R1.11 CCC(S)c1ccco1 Amb27621419 [0,2,0,0,0,0|0,1,1]=4 4019 B9R1.11 CCS(=O)c1cccs1 Amb27590898 [0,2,0,0,0,0|1,1,0]=4 4020 B9R1.11 CC[C@H](N)c1ccco1 Amb27946499 [0,2,0,0,0,0|1,0,1]=4 4021 B9R1.11 CC[C@H](O)c1ccco1 Amb27970619 [0,2,0,0,0,0|0,0,2]=4 4022 B9R1.11 CC[SiH](C)c1ccco1 Amb27849145 [0,2,0,0,0,0|1,0,1]=4 4023 B9R1.11 CNC(=O)c1ccco1 Amb2612183 [0,2,0,0,0,0|0,0,0]=2 4024 B9R1.11 CNC(=O)c1cccs1 Amb2612184 [0,2,0,0,0,0|0,1,0]=3 4025 B9R1.11 CNC(=O)c1ccsc1 Amb2612185 [0,2,0,0,0,0|2,0,0]=4 4026 B9R1.11 CNC(=O)c1cocn1 Amb27661402 [0,2,0,0,0,0|2,0,0]=4 4027 B9R1.11 CNC(C)c1ccco1 Amb9707940 [0,2,0,0,0,0|1,0,1]=4 4028 B9R1.11 COC(=N)c1cccs1 Amb17621680 [0,2,0,0,0,0|0,1,1]=4 4029 B9R1.11 COC(=O)C1=CCCO1 Amb27265911 [0,2,0,0,0,0|0,0,2]=4 4030 B9R1.11 COC(=O)C1C=CCO1 Amb28399993 [0,2,0,0,0,0|0,0,2]=4 4031 B9R1.11 COC(=O)c1ccco1 Amb4302709 [0,2,0,0,0,0|0,0,0]=2 4032 B9R1.11 COC(=O)c1cccs1 Amb1911537 [0,2,0,0,0,0|0,1,0]=3 4033 B9R1.11 COC(=O)c1ccno1 Amb4450531 [0,2,0,0,0,0|1,0,0]=3 4034 B9R1.11 COC(=O)c1ccns1 Amb13883507 [0,2,0,0,0,0|1,1,0]=4 4035 B9R1.11 COC(=O)c1ccoc1 Amb33531546 [0,2,0,0,0,0|2,0,0]=4 4036 B9R1.11 COC(=O)c1ccsc1 Amb9245220 [0,2,0,0,0,0|2,0,0]=4 4037 B9R1.11 COC(=O)c1cnco1 Amb21520455 [0,2,0,0,0,0|1,0,0]=3 4038 B9R1.11 COC(=O)c1cncs1 Amb2455728 [0,2,0,0,0,0|1,1,0]=4 4039 B9R1.11 COC(=O)c1cocn1 Amb21857674 [0,2,0,0,0,0|2,0,0]=4 4040 B9R1.11 COC(=O)c1cscn1 Amb10067320 [0,2,0,0,0,0|2,0,0]=4 4041 B9R1.11 COC(=O)c1ncco1 Amb22001762 [0,2,0,0,0,0|1,0,0]=3 4042 B9R1.11 COC(=O)c1nccs1 Amb10807389 [0,2,0,0,0,0|1,1,0]=4 4043 B9R1.11 COC(=O)c1nnco1 Amb24425959 [0,2,0,0,0,0|2,0,0]=4 4044 B9R1.11 COC(=O)n1cccc1 Amb4477192 [0,2,0,0,0,0|2,0,0]=4 4045 B9R1.11 COC(=O)n1cccn1 Amb3373376 [0,2,0,0,0,0|2,0,0]=4 4046 B9R1.11 COC(=S)c1cccs1 Amb27782424 [0,2,0,0,0,0|0,1,1]=4 4047 B9R1.11 CSC(=O)c1cscn1 Amb10070320 [0,2,0,0,0,0|2,0,0]=4 4048 B9R1.11 C[C@@H](C=O)c1ccoc1 Amb27256198 [0,2,0,0,0,0|2,0,0]=4 4049 B9R1.11 C[C@H](C=O)n1cccc1 Amb27486177 [0,2,0,0,0,0|2,0,0]=4 4050 B9R1.11 C\C(=N/N)c1cccs1 Amb1152010 [0,2,0,0,0,0|1,1,0]=4 4051 B9R1.11 C\C(=N/O)c1ccco1 Amb6739803 [0,2,0,0,0,0|0,0,1]=3 4052 B9R1.11 C\C(=N/O)c1cccs1 Amb6355845 [0,2,0,0,0,0|0,1,1]=4 4053 B9R1.11 C\C(=N\O)c1ccco1 Amb4018078 [0,2,0,0,0,0|0,0,1]=3 4054 B9R1.11 C\C(=N\O)c1cccs1 Amb4020390 [0,2,0,0,0,0|0,1,1]=4 4055 B9R1.11 C\N=C(/Cl)c1ccco1 Amb30585147 [0,2,0,0,0,0|1,0,0]=3 4056 B9R1.11 C\N=C(\Cl)c1ccco1 Amb2371268 [0,2,0,0,0,0|1,0,0]=3 4057 B9R1.11 C\N=C(\Cl)c1cccs1 Amb2371267 [0,2,0,0,0,0|1,1,0]=4 4058 B9R1.11 Cl\C=C(\Cl)c1cccs1 Amb27965884 [0,2,0,0,0,0|1,1,0]=4 4059 B9R1.11 N#CC(=O)c1ccco1 Amb17231835 [0,2,0,0,0,0|0,0,0]=2 4060 B9R1.11 N#CC(=O)c1cccs1 Amb2779505 [0,2,0,0,0,0|0,1,0]=3 4061 B9R1.11 N#CC(=O)c1ccsc1 Amb27409399 [0,2,0,0,0,0|2,0,0]=4 4062 B9R1.11 N#CC(N)c1ccco1 Amb1108460 [0,2,0,0,0,0|1,0,1]=4 4063 B9R1.11 N#CC(O)c1ccco1 Amb27857638 [0,2,0,0,0,0|0,0,2]=4 4064 B9R1.11 N#C[C@@H](N)c1ccco1 Amb28254523 [0,2,0,0,0,0|1,0,1]=4 4065 B9R1.11 N#C[C@@H](O)c1ccco1 Amb26858653 [0,2,0,0,0,0|0,0,2]=4 4066 B9R1.11 N#C[C@H](O)c1ccco1 Amb24502187 [0,2,0,0,0,0|0,0,2]=4 4067 B9R1.11 N=C(NO)c1ncco1 Amb28051590 [0,2,0,0,0,0|1,0,1]=4 4068 B9R1.11 NC(=S=O)c1cscn1 Amb27758659 [0,2,0,0,0,0|2,0,0]=4 4069 B9R1.11 NC(CF)c1ccco1 Amb27600682 [0,2,0,0,0,0|1,0,1]=4 4070 B9R1.11 NC(CO)c1ccco1 Amb17231846 [0,2,0,0,0,0|0,0,2]=4 4071 B9R1.11 NCC(=O)C1=CCCO1 Amb25978766 [0,2,0,0,0,0|0,0,2]=4 4072 B9R1.11 NCC(=O)c1ccco1 Amb18642269 [0,2,0,0,0,0|0,0,0]=2 4073 B9R1.11 NCC(=O)c1ccco1 Amb19373982 [0,2,0,0,0,0|0,0,0]=2 4074 B9R1.11 NCC(=O)c1cccs1 Amb1286169 [0,2,0,0,0,0|0,1,0]=3 4075 B9R1.11 NCC(=O)c1cccs1 Amb5739529 [0,2,0,0,0,0|0,1,0]=3 4076 B9R1.11 NCC(=O)c1ccns1 Amb25957124 [0,2,0,0,0,0|1,1,0]=4 4077 B9R1.11 NCC(=O)c1ccoc1 Amb18642270 [0,2,0,0,0,0|2,0,0]=4 4078 B9R1.11 NCC(=O)c1ccon1 Amb18832769 [0,2,0,0,0,0|2,0,0]=4 4079 B9R1.11 NCC(=O)c1ccsc1 Amb18643742 [0,2,0,0,0,0|2,0,0]=4 4080 B9R1.11 NCC(=O)c1ccsn1 Amb24471992 [0,2,0,0,0,0|2,0,0]=4 4081 B9R1.11 NCC(=O)c1cnco1 Amb18832770 [0,2,0,0,0,0|1,0,0]=3 4082 B9R1.11 NCC(=O)c1cncs1 Amb18831640 [0,2,0,0,0,0|1,1,0]=4 4083 B9R1.11 NCC(=O)c1cncs1 Amb30585216 [0,2,0,0,0,0|1,1,0]=4 4084 B9R1.11 NCC(=O)c1cncs1 Amb32683464 [0,2,0,0,0,0|1,1,0]=4 4085 B9R1.11 NCC(=O)c1cscn1 Amb18831641 [0,2,0,0,0,0|2,0,0]=4 4086 B9R1.11 NCC(=O)c1nccs1 Amb18831642 [0,2,0,0,0,0|1,1,0]=4 4087 B9R1.11 NCC(F)c1ccco1 Amb24573586 [0,2,0,0,0,0|1,0,1]=4 4088 B9R1.11 NCC(N)c1ccco1 Amb9380727 [0,2,0,0,0,0|1,0,1]=4 4089 B9R1.11 NCC(O)c1ccco1 Amb9703775 [0,2,0,0,0,0|0,0,2]=4 4090 B9R1.11 NC[C@@H](N)c1ccco1 Amb27768645 [0,2,0,0,0,0|1,0,1]=4 4091 B9R1.11 NC[C@@H](O)c1ccco1 Amb22747769 [0,2,0,0,0,0|0,0,2]=4 4092 B9R1.11 NC[C@H](O)c1ccco1 Amb26981556 [0,2,0,0,0,0|0,0,2]=4 4093 B9R1.11 NNC(=O)c1ccco1 Amb6364758 [0,2,0,0,0,0|0,0,0]=2 4094 B9R1.11 NNC(=O)c1cccs1 Amb33038267 [0,2,0,0,0,0|0,1,0]=3 4095 B9R1.11 NNC(=O)c1cccs1 Amb6355875 [0,2,0,0,0,0|0,1,0]=3 4096 B9R1.11 NNC(=O)c1ccno1 Amb26555014 [0,2,0,0,0,0|1,0,0]=3 4097 B9R1.11 NNC(=O)c1ccns1 Amb27852001 [0,2,0,0,0,0|1,1,0]=4 4098 B9R1.11 NNC(=O)c1ccoc1 Amb1137431 [0,2,0,0,0,0|2,0,0]=4 4099 B9R1.11 NNC(=O)c1ccon1 Amb20622665 [0,2,0,0,0,0|2,0,0]=4 4100 B9R1.11 NNC(=O)c1ccsc1 Amb1127945 [0,2,0,0,0,0|2,0,0]=4 4101 B9R1.11 NNC(=O)c1cnco1 Amb19516901 [0,2,0,0,0,0|1,0,0]=3 4102 B9R1.11 NNC(=O)c1cncs1 Amb4413256 [0,2,0,0,0,0|1,1,0]=4 4103 B9R1.11 NNC(=O)c1cocn1 Amb13890531 [0,2,0,0,0,0|2,0,0]=4 4104 B9R1.11 NNC(=O)c1cscn1 Amb1786304 [0,2,0,0,0,0|2,0,0]=4 4105 B9R1.11 NNC(=O)c1nccs1 Amb22490247 [0,2,0,0,0,0|1,1,0]=4 4106 B9R1.11 N[C@@H](CO)c1ccco1 Amb28073962 [0,2,0,0,0,0|0,0,2]=4 4107 B9R1.11 N[C@H](CF)c1ccco1 Amb28384607 [0,2,0,0,0,0|1,0,1]=4 4108 B9R1.11 N[C@H](CO)c1ccco1 Amb26901992 [0,2,0,0,0,0|0,0,2]=4 4109 B9R1.11 N\C(=N/O)c1ccco1 Amb22587188 [0,2,0,0,0,0|0,0,1]=3 4110 B9R1.11 N\C(=N/O)c1ccco1 Amb8831731 [0,2,0,0,0,0|0,0,1]=3 4111 B9R1.11 N\C(=N/O)c1cccs1 Amb6384078 [0,2,0,0,0,0|0,1,1]=4 4112 B9R1.11 N\C(=N\O)c1ccco1 Amb2696503 [0,2,0,0,0,0|0,0,1]=3 4113 B9R1.11 N\C(=N\O)c1cccs1 Amb1106021 [0,2,0,0,0,0|0,1,1]=4 4114 B9R1.11 N\C(=N\O)c1ccno1 Amb22292334 [0,2,0,0,0,0|1,0,1]=4 4115 B9R1.11 N\N=C(\N)c1cccs1 Amb25250535 [0,2,0,0,0,0|1,1,0]=4 4116 B9R1.11 O=C(CBr)c1ccco1 Amb2721798 [0,2,0,0,0,0|0,0,0]=2 4117 B9R1.11 O=C(CBr)c1cccs1 Amb2720497 [0,2,0,0,0,0|0,1,0]=3 4118 B9R1.11 O=C(CBr)c1ccon1 Amb23412312 [0,2,0,0,0,0|2,0,0]=4 4119 B9R1.11 O=C(CBr)c1ccsc1 Amb2723197 [0,2,0,0,0,0|2,0,0]=4 4120 B9R1.11 O=C(CBr)c1cncs1 Amb33870854 [0,2,0,0,0,0|1,1,0]=4 4121 B9R1.11 O=C(CBr)c1cscn1 Amb22899135 [0,2,0,0,0,0|2,0,0]=4 4122 B9R1.11 O=C(CBr)c1nccs1 Amb2723141 [0,2,0,0,0,0|1,1,0]=4 4123 B9R1.11 O=C(CBr)c1nccs1 Amb6384160 [0,2,0,0,0,0|1,1,0]=4 4124 B9R1.11 O=C(CBr)n1cccc1 Amb27244789 [0,2,0,0,0,0|2,0,0]=4 4125 B9R1.11 O=C(CCl)c1ccco1 Amb17138398 [0,2,0,0,0,0|0,0,0]=2 4126 B9R1.11 O=C(CCl)c1cccs1 Amb2686490 [0,2,0,0,0,0|0,1,0]=3 4127 B9R1.11 O=C(CCl)c1ccns1 Amb32664376 [0,2,0,0,0,0|1,1,0]=4 4128 B9R1.11 O=C(CCl)c1ccoc1 Amb22395346 [0,2,0,0,0,0|2,0,0]=4 4129 B9R1.11 O=C(CCl)c1ccon1 Amb24104110 [0,2,0,0,0,0|2,0,0]=4 4130 B9R1.11 O=C(CCl)c1ccsc1 Amb25727715 [0,2,0,0,0,0|2,0,0]=4 4131 B9R1.11 O=C(CCl)c1cnco1 Amb22011645 [0,2,0,0,0,0|1,0,0]=3 4132 B9R1.11 O=C(CCl)c1cncs1 Amb24104081 [0,2,0,0,0,0|1,1,0]=4 4133 B9R1.11 O=C(CCl)c1cocn1 Amb22011648 [0,2,0,0,0,0|2,0,0]=4 4134 B9R1.11 O=C(CCl)c1cscn1 Amb17506261 [0,2,0,0,0,0|2,0,0]=4 4135 B9R1.11 O=C(CCl)c1ncco1 Amb22904306 [0,2,0,0,0,0|1,0,0]=3 4136 B9R1.11 O=C(CCl)c1nccs1 Amb24104111 [0,2,0,0,0,0|1,1,0]=4 4137 B9R1.11 O=C(CF)c1cccs1 Amb21964939 [0,2,0,0,0,0|0,1,0]=3 4138 B9R1.11 O=C(CI)c1cccs1 Amb28368856 [0,2,0,0,0,0|0,1,0]=3 4139 B9R1.11 O=C(CI)c1ccoc1 Amb27647081 [0,2,0,0,0,0|2,0,0]=4 4140 B9R1.11 O=C(CO)c1ccco1 Amb17689139 [0,2,0,0,0,0|0,0,0]=2 4141 B9R1.11 O=C(CO)c1cccs1 Amb25742219 [0,2,0,0,0,0|0,1,0]=3 4142 B9R1.11 O=C(CS)c1cccs1 Amb17400035 [0,2,0,0,0,0|0,1,0]=3 4143 B9R1.11 O=C(NO)c1ccco1 Amb6270335 [0,2,0,0,0,0|0,0,0]=2 4144 B9R1.11 O=C(NO)c1cccs1 Amb1151586 [0,2,0,0,0,0|0,1,0]=3 4145 B9R1.11 O=C(NO)c1ccno1 Amb27448090 [0,2,0,0,0,0|1,0,0]=3 4146 B9R1.11 O=C(NO)c1ccon1 Amb27856744 [0,2,0,0,0,0|2,0,0]=4 4147 B9R1.11 O=C(NO)c1cncs1 Amb27494447 [0,2,0,0,0,0|1,1,0]=4 4148 B9R1.11 O=C(NO)c1cocn1 Amb28318358 [0,2,0,0,0,0|2,0,0]=4 4149 B9R1.11 O=C(NO)c1nccs1 Amb27837648 [0,2,0,0,0,0|1,1,0]=4 4150 B9R1.11 O=C(NO)n1cccc1 Amb25114377 [0,2,0,0,0,0|2,0,0]=4 4151 B9R1.11 O=C(N[O-])c1cccs1 Amb471648 [0,2,0,0,0,0|0,1,0]=3 4152 B9R1.11 O=C(O[Cu])c1cccs1 Amb13890298 [0,2,0,0,0,0|0,1,0]=3 4153 B9R1.11 O=C(O[Na])c1cccs1 Amb3150403 [0,2,0,0,0,0|0,1,0]=3 4154 B9R1.11 O=CC(=O)c1ccco1 Amb17593264 [0,2,0,0,0,0|0,0,0]=2 4155 B9R1.11 O=CC(=O)c1cccs1 Amb10067937 [0,2,0,0,0,0|0,1,0]=3 4156 B9R1.11 O=CC(=O)c1cccs1 Amb10607111 [0,2,0,0,0,0|0,1,0]=3 4157 B9R1.11 O=CC(Cl)c1cccs1 Amb27246769 [0,2,0,0,0,0|0,1,0]=3 4158 B9R1.11 O=CC(O)c1ccsn1 Amb27478296 [0,2,0,0,0,0|2,0,0]=4 4159 B9R1.11 O=CC(O)c1cncs1 Amb30026644 [0,2,0,0,0,0|1,1,0]=4 4160 B9R1.11 OC(CBr)c1ccco1 Amb26443731 [0,2,0,0,0,0|0,0,2]=4 4161 B9R1.11 OC(CCl)c1ccco1 Amb25990622 [0,2,0,0,0,0|0,0,2]=4 4162 B9R1.11 OC(CF)c1ccco1 Amb33360953 [0,2,0,0,0,0|0,0,2]=4 4163 B9R1.11 OCC(O)c1ccco1 Amb27160718 [0,2,0,0,0,0|0,0,2]=4 4164 B9R1.11 OCC(S)c1ccco1 Amb28199661 [0,2,0,0,0,0|0,0,2]=4 4165 B9R1.11 OC[C@@H](O)c1ccco1 Amb24183799 [0,2,0,0,0,0|0,0,2]=4 4166 B9R1.11 ONC(O)c1ccco1 Amb28207158 [0,2,0,0,0,0|0,0,2]=4 4167 B9R1.11 O[C@@H](CCl)c1ccco1 Amb27493306 [0,2,0,0,0,0|0,0,2]=4 4168 B9R1.11 O[C@H](CCl)c1ccco1 Amb27655657 [0,2,0,0,0,0|0,0,2]=4 4169 B9R1.11 O\C=C(\Cl)c1ccco1 Amb27186090 [0,2,0,0,0,0|0,0,1]=3 4170 B9R1.11 O\N=C(\Cl)c1cccs1 Amb27864158 [0,2,0,0,0,0|0,1,1]=4 4171 B9R1.11 [C-]#[N+]C(C)c1ccco1 Amb3973276 [0,2,0,0,0,0|1,0,1]=4 4172 B9R1.11 [NH3+]CC(=O)c1cccs1 Amb17848802 [0,2,0,0,0,0|0,1,0]=3 4173 B9R1.19 CC(C)(C)c1ccco1 Amb22360626 [0,2,0,0,0,0|1,0,1]=4 4174 B9R1.19 CC(C)(N)c1ccco1 Amb17078788 [0,2,0,0,0,0|1,0,1]=4 4175 B9R1.19 CC(C)(O)c1ccco1 Amb22749603 [0,2,0,0,0,0|0,0,2]=4 4176 B9R1.19 CS(=N)(=O)c1ccco1 Amb33338887 [0,2,0,0,0,0|1,0,0]=3 4177 B9R1.19 CS(=O)(=O)c1ccco1 Amb27400164 [0,2,0,0,0,0|1,0,0]=3 4178 B9R1.19 CS(=O)(=O)c1cccs1 Amb2611485 [0,2,0,0,0,0|1,1,0]=4 4179 B9R1.19 C[Si](C)(C)c1ccco1 Amb20671355 [0,2,0,0,0,0|1,1,0]=4 4180 B9R1.19 C[Si](C)(O)c1ccco1 Amb22167043 [0,2,0,0,0,0|0,1,1]=4 4181 B9R1.19 FC(F)(F)c1ccco1 Amb27243829 [0,2,0,0,0,0|1,0,1]=4 4182 B9R1.19 NS(=O)(=O)c1ccco1 Amb24093662 [0,2,0,0,0,0|1,0,0]=3 4183 B9R1.19 NS(=O)(=O)c1cccs1 Amb1103388 [0,2,0,0,0,0|1,1,0]=4 4184 B9R1.19 NS(=O)(=O)c1cnco1 Amb33056483 [0,2,0,0,0,0|2,0,0]=4 4185 B9R1.19 O=S(=O)(Br)c1cccs1 Amb27208825 [0,2,0,0,0,0|1,1,0]=4 4186 B9R1.19 O=S(=O)(Cl)c1ccco1 Amb2723040 [0,2,0,0,0,0|1,0,0]=3 4187 B9R1.19 O=S(=O)(Cl)c1cccs1 Amb1216878 [0,2,0,0,0,0|1,1,0]=4 4188 B9R1.19 O=S(=O)(Cl)c1ncco1 Amb24117208 [0,2,0,0,0,0|2,0,0]=4 4189 B9R1.19 O=S(=O)(F)c1ccco1 Amb26028989 [0,2,0,0,0,0|1,0,0]=3 4190 B9R1.19 O=S(=O)(F)c1cccs1 Amb18520967 [0,2,0,0,0,0|1,1,0]=4 4191 B9R1.19 O=S(=O)(F)c1cnco1 Amb33056469 [0,2,0,0,0,0|2,0,0]=4 4192 B9R1.19 O=S(=O)(F)c1ncco1 Amb28252096 [0,2,0,0,0,0|2,0,0]=4 4193 B9R1.19 O=S(=O)(O)c1cccs1 Amb17672954 [0,2,0,0,0,0|1,1,0]=4 4194 B9R1.41 C=C(C)c1oncc1N Amb33199171 [0,2,0,0,0,0|2,0,0]=4 4195 B9R1.41 C=C(C)c1sccc1C Amb27235420 [0,2,0,0,0,0|1,1,0]=4 4196 B9R1.41 C=C(C)c1sccc1I Amb27225040 [0,2,0,0,0,0|1,1,0]=4 4197 B9R1.41 C=C1C=CC=C1C(C)=O Amb25861278 [0,2,0,0,0,0|1,0,0]=3 4198 B9R1.41 CC(=O)C1=C(O)CCO1 Amb25918211 [0,2,0,0,0,0|0,0,2]=4 4199 B9R1.41 CC(=O)C1=C([Na])CC=C1 Amb28321995 [0,2,0,0,0,0|1,0,1]=4 4200 B9R1.41 CC(=O)N1CC=CC1=O Amb22494822 [0,2,0,0,0,0|2,0,0]=4 4201 B9R1.41 CC(=O)c1cccn1C Amb3940343 [0,2,0,0,0,0|1,0,0]=3 4202 B9R1.41 CC(=O)c1cccn1N Amb25188906 [0,2,0,0,0,0|1,0,0]=3 4203 B9R1.41 CC(=O)c1ccnn1C Amb1995284 [0,2,0,0,0,0|2,0,0]=4 4204 B9R1.41 CC(=O)c1ccoc1Br Amb26393759 [0,2,0,0,0,0|2,0,0]=4 4205 B9R1.41 CC(=O)c1ccoc1C Amb28054842 [0,2,0,0,0,0|2,0,0]=4 4206 B9R1.41 CC(=O)c1ccoc1Cl Amb26081241 [0,2,0,0,0,0|2,0,0]=4 4207 B9R1.41 CC(=O)c1ccoc1O Amb27607192 [0,2,0,0,0,0|2,0,0]=4 4208 B9R1.41 CC(=O)c1ccsc1Br Amb22498154 [0,2,0,0,0,0|2,0,0]=4 4209 B9R1.41 CC(=O)c1ccsc1Cl Amb25147022 [0,2,0,0,0,0|2,0,0]=4 4210 B9R1.41 CC(=O)c1ccsc1N Amb16231458 [0,2,0,0,0,0|2,0,0]=4 4211 B9R1.41 CC(=O)c1ccsc1O Amb27964081 [0,2,0,0,0,0|2,0,0]=4 4212 B9R1.41 CC(=O)c1ccsc1S Amb25185349 [0,2,0,0,0,0|2,0,0]=4 4213 B9R1.41 CC(=O)c1cncn1C Amb18145080 [0,2,0,0,0,0|2,0,0]=4 4214 B9R1.41 CC(=O)c1cncn1C Amb33141030 [0,2,0,0,0,0|2,0,0]=4 4215 B9R1.41 CC(=O)c1cncn1N Amb27786915 [0,2,0,0,0,0|2,0,0]=4 4216 B9R1.41 CC(=O)c1cocc1Br Amb27636721 [0,2,0,0,0,0|2,0,0]=4 4217 B9R1.41 CC(=O)c1cscc1Br Amb22500733 [0,2,0,0,0,0|2,0,0]=4 4218 B9R1.41 CC(=O)c1cscc1Cl Amb22899017 [0,2,0,0,0,0|2,0,0]=4 4219 B9R1.41 CC(=O)c1cscc1F Amb18202408 [0,2,0,0,0,0|2,0,0]=4 4220 B9R1.41 CC(=O)c1nccn1C Amb16230260 [0,2,0,0,0,0|2,0,0]=4 4221 B9R1.41 CC(=O)c1nccn1N Amb25887197 [0,2,0,0,0,0|2,0,0]=4 4222 B9R1.41 CC(=O)c1ncoc1C Amb25245183 [0,2,0,0,0,0|2,0,0]=4 4223 B9R1.41 CC(=O)c1ncsc1Br Amb29892935 [0,2,0,0,0,0|2,0,0]=4 4224 B9R1.41 CC(=O)c1ncsc1C Amb18831707 [0,2,0,0,0,0|2,0,0]=4 4225 B9R1.41 CC(=O)c1ncsc1I Amb27652947 [0,2,0,0,0,0|2,0,0]=4 4226 B9R1.41 CC(=O)c1ncsc1N Amb27881679 [0,2,0,0,0,0|2,0,0]=4 4227 B9R1.41 CC(=O)c1ncsc1S Amb25945736 [0,2,0,0,0,0|2,0,0]=4 4228 B9R1.41 CC(=O)c1nscc1Br Amb29864146 [0,2,0,0,0,0|2,0,0]=4 4229 B9R1.41 CC(=O)c1occc1Br Amb19374756 [0,2,0,0,0,0|0,0,0]=2 4230 B9R1.41 CC(=O)c1occc1C Amb20668258 [0,2,0,0,0,0|0,0,0]=2 4231 B9R1.41 CC(=O)c1occc1Cl Amb27167140 [0,2,0,0,0,0|0,0,0]=2 4232 B9R1.41 CC(=O)c1occc1N Amb18832859 [0,2,0,0,0,0|0,0,0]=2 4233 B9R1.41 CC(=O)c1occc1O Amb28351437 [0,2,0,0,0,0|0,0,0]=2 4234 B9R1.41 CC(=O)c1oncc1C Amb18832846 [0,2,0,0,0,0|1,0,0]=3 4235 B9R1.41 CC(=O)c1sccc1Br Amb2440289 [0,2,0,0,0,0|0,1,0]=3 4236 B9R1.41 CC(=O)c1sccc1C Amb3940405 [0,2,0,0,0,0|0,1,0]=3 4237 B9R1.41 CC(=O)c1sccc1Cl Amb2415188 [0,2,0,0,0,0|0,1,0]=3 4238 B9R1.41 CC(=O)c1sccc1F Amb18831514 [0,2,0,0,0,0|0,1,0]=3 4239 B9R1.41 CC(=O)c1sccc1I Amb2611510 [0,2,0,0,0,0|0,1,0]=3 4240 B9R1.41 CC(=O)c1sccc1N Amb2724281 [0,2,0,0,0,0|0,1,0]=3 4241 B9R1.41 CC(=O)c1sccc1O Amb18202590 [0,2,0,0,0,0|0,1,0]=3 4242 B9R1.41 CC(=O)c1sccc1S Amb28195316 [0,2,0,0,0,0|0,1,0]=3 4243 B9R1.41 CC(=O)c1scnc1Br Amb18176253 [0,2,0,0,0,0|1,1,0]=4 4244 B9R1.41 CC(=O)c1scnc1C Amb7969579 [0,2,0,0,0,0|1,1,0]=4 4245 B9R1.41 CC(=O)c1scnc1N Amb18831647 [0,2,0,0,0,0|1,1,0]=4 4246 B9R1.41 CC(=O)c1sncc1Cl Amb28132861 [0,2,0,0,0,0|1,1,0]=4 4247 B9R1.41 CC(=O)c1sncc1N Amb18202585 [0,2,0,0,0,0|1,1,0]=4 4248 B9R1.41 CC(=O)n1cccc1Br Amb27488240 [0,2,0,0,0,0|2,0,0]=4 4249 B9R1.41 CC(=O)n1cccc1C Amb28285118 [0,2,0,0,0,0|2,0,0]=4 4250 B9R1.41 CC(C)=C1NC=CC1=O Amb27844541 [0,2,0,0,0,0|2,0,0]=4 4251 B9R1.41 CC(C)c1occc1Br Amb18820654 [0,2,0,0,0,0|1,0,1]=4 4252 B9R1.41 CC(N)c1occc1Br Amb27768609 [0,2,0,0,0,0|1,0,1]=4 4253 B9R1.41 CC(N)c1occc1Cl Amb27792906 [0,2,0,0,0,0|1,0,1]=4 4254 B9R1.41 CC(O)c1occc1Br Amb28293413 [0,2,0,0,0,0|0,0,2]=4 4255 B9R1.41 C[C@@H](N)c1occc1Cl Amb27838603 [0,2,0,0,0,0|1,0,1]=4 4256 B9R1.41 C[C@@H](N)c1occc1O Amb27493031 [0,2,0,0,0,0|1,0,1]=4 4257 B9R1.41 C[C@H](N)c1occc1Br Amb27646307 [0,2,0,0,0,0|1,0,1]=4 4258 B9R1.41 C[C@H](N)c1occc1N Amb27948109 [0,2,0,0,0,0|1,0,1]=4 4259 B9R1.41 C[C@H](N)c1occc1O Amb27838437 [0,2,0,0,0,0|1,0,1]=4 4260 B9R1.41 C\C(O)=C1\OC=CC1=O Amb25686104 [0,2,0,0,0,0|0,0,1]=3 4261 B9R1.41 Cc1ccnn1C(N)=O Amb17778918 [0,2,0,0,0,0|2,0,0]=4 4262 B9R1.41 Cc1ccoc1C(=N)N Amb24368716 [0,2,0,0,0,0|1,0,0]=3 4263 B9R1.41 Cc1ccoc1C(=N)N Amb8630637 [0,2,0,0,0,0|1,0,0]=3 4264 B9R1.41 Cc1ccoc1C(=O)Cl Amb2725685 [0,2,0,0,0,0|0,0,0]=2 4265 B9R1.41 Cc1ccoc1C(=O)O Amb1156943 [0,2,0,0,0,0|0,0,0]=2 4266 B9R1.41 Cc1ccoc1C(C)C Amb28195198 [0,2,0,0,0,0|1,0,1]=4 4267 B9R1.41 Cc1ccoc1C(C)N Amb18203315 [0,2,0,0,0,0|1,0,1]=4 4268 B9R1.41 Cc1ccoc1C(F)F Amb23589862 [0,2,0,0,0,0|1,0,1]=4 4269 B9R1.41 Cc1ccoc1C(N)=O Amb8998946 [0,2,0,0,0,0|0,0,0]=2 4270 B9R1.41 Cc1ccoc1C(N)=S Amb25775196 [0,2,0,0,0,0|0,1,0]=3 4271 B9R1.41 Cc1ccoc1S(=O)O Amb27209285 [0,2,0,0,0,0|1,0,0]=3 4272 B9R1.41 Cc1ccoc1[C@@H](C)N Amb25707081 [0,2,0,0,0,0|1,0,1]=4 4273 B9R1.41 Cc1ccoc1[C@@H](C)O Amb26578606 [0,2,0,0,0,0|0,0,2]=4 4274 B9R1.41 Cc1ccoc1[C@H](C)N Amb26318395 [0,2,0,0,0,0|1,0,1]=4 4275 B9R1.41 Cc1ccoc1[C@H](C)O Amb27653321 [0,2,0,0,0,0|0,0,2]=4 4276 B9R1.41 Cc1ccsc1C(=N)N Amb8834124 [0,2,0,0,0,0|1,1,0]=4 4277 B9R1.41 Cc1ccsc1C(=O)Cl Amb2689730 [0,2,0,0,0,0|0,1,0]=3 4278 B9R1.41 Cc1ccsc1C(=O)O Amb2695360 [0,2,0,0,0,0|0,1,0]=3 4279 B9R1.41 Cc1ccsc1C(=O)[O-] Amb15691659 [0,2,0,0,0,0|0,1,0]=3 4280 B9R1.41 Cc1ccsc1C(N)=O Amb8997731 [0,2,0,0,0,0|0,1,0]=3 4281 B9R1.41 Cc1ccsc1C(N)=S Amb1116860 [0,2,0,0,0,0|0,2,0]=4 4282 B9R1.41 Cc1ccsc1S(=O)[O-] Amb32754089 [0,2,0,0,0,0|1,1,0]=4 4283 B9R1.41 Cc1ccsc1[N+](=O)[O-] Amb27862325 [0,2,0,0,0,0|1,1,0]=4 4284 B9R1.41 Cc1cnoc1C(=O)Cl Amb27466368 [0,2,0,0,0,0|1,0,0]=3 4285 B9R1.41 Cc1cnoc1C(=O)O Amb10071410 [0,2,0,0,0,0|1,0,0]=3 4286 B9R1.41 Cc1cnsc1C(=O)O Amb8439091 [0,2,0,0,0,0|1,1,0]=4 4287 B9R1.41 Cc1cocc1C(=O)O Amb22886569 [0,2,0,0,0,0|2,0,0]=4 4288 B9R1.41 Cc1cocc1C(N)=O Amb27780012 [0,2,0,0,0,0|2,0,0]=4 4289 B9R1.41 Cc1conc1C(=O)O Amb33545063 [0,2,0,0,0,0|2,0,0]=4 4290 B9R1.41 Cc1cscc1C(=O)Cl Amb28145070 [0,2,0,0,0,0|2,0,0]=4 4291 B9R1.41 Cc1cscc1C(=O)O Amb20240802 [0,2,0,0,0,0|2,0,0]=4 4292 B9R1.41 Cc1cscc1C(N)=O Amb24699178 [0,2,0,0,0,0|2,0,0]=4 4293 B9R1.41 Cc1ncoc1C(=N)N Amb27796678 [0,2,0,0,0,0|2,0,0]=4 4294 B9R1.41 Cc1ncoc1C(=O)Cl Amb2723147 [0,2,0,0,0,0|1,0,0]=3 4295 B9R1.41 Cc1ncoc1C(=O)O Amb2723146 [0,2,0,0,0,0|1,0,0]=3 4296 B9R1.41 Cc1ncoc1C(N)=O Amb2689573 [0,2,0,0,0,0|1,0,0]=3 4297 B9R1.41 Cc1ncsc1C(=O)Cl Amb6743387 [0,2,0,0,0,0|1,1,0]=4 4298 B9R1.41 Cc1ncsc1C(=O)O Amb6336150 [0,2,0,0,0,0|1,1,0]=4 4299 B9R1.41 Cc1occc1C(=O)Cl Amb2782014 [0,2,0,0,0,0|2,0,0]=4 4300 B9R1.41 Cc1occc1C(=O)O Amb1102055 [0,2,0,0,0,0|2,0,0]=4 4301 B9R1.41 Cc1occc1C(N)=O Amb8858551 [0,2,0,0,0,0|2,0,0]=4 4302 B9R1.41 Cc1ocnc1C(=O)Cl Amb10071436 [0,2,0,0,0,0|2,0,0]=4 4303 B9R1.41 Cc1ocnc1C(=O)O Amb10067408 [0,2,0,0,0,0|2,0,0]=4 4304 B9R1.41 Cc1ocnc1C(N)=O Amb25141600 [0,2,0,0,0,0|2,0,0]=4 4305 B9R1.41 Cc1sccc1C(=O)Cl Amb25320759 [0,2,0,0,0,0|2,0,0]=4 4306 B9R1.41 Cc1sccc1C(=O)O Amb2447618 [0,2,0,0,0,0|2,0,0]=4 4307 B9R1.41 Cc1sccc1C(N)=O Amb8496178 [0,2,0,0,0,0|2,0,0]=4 4308 B9R1.41 Cc1scnc1C(=O)O Amb10067521 [0,2,0,0,0,0|2,0,0]=4 4309 B9R1.41 Cc1scnc1C(N)=O Amb22498462 [0,2,0,0,0,0|2,0,0]=4 4310 B9R1.41 Cn1cccc1C(=N)N Amb31097722 [0,2,0,0,0,0|2,0,0]=4 4311 B9R1.41 Cn1cccc1C(=O)O Amb1151288 [0,2,0,0,0,0|1,0,0]=3 4312 B9R1.41 Cn1cccc1C(N)=O Amb2604322 [0,2,0,0,0,0|1,0,0]=3 4313 B9R1.41 Cn1cccc1C(N)=S Amb25032223 [0,2,0,0,0,0|1,1,0]=4 4314 B9R1.41 Cn1cccc1S(=O)[O-] Amb32754674 [0,2,0,0,0,0|2,0,0]=4 4315 B9R1.41 Cn1cccc1[N+](=O)[O-] Amb27870456 [0,2,0,0,0,0|2,0,0]=4 4316 B9R1.41 Cn1ccnc1C(=O)Cl Amb10844843 [0,2,0,0,0,0|2,0,0]=4 4317 B9R1.41 Cn1ccnc1C(=O)Cl Amb33496155 [0,2,0,0,0,0|2,0,0]=4 4318 B9R1.41 Cn1ccnc1C(=O)O Amb1107172 [0,2,0,0,0,0|2,0,0]=4 4319 B9R1.41 Cn1ccnc1C(=O)[O-] Amb13951582 [0,2,0,0,0,0|2,0,0]=4 4320 B9R1.41 Cn1ccnc1C(=O)[O-] Amb33512890 [0,2,0,0,0,0|2,0,0]=4 4321 B9R1.41 Cn1ccnc1C(=O)[O-] Amb33542621 [0,2,0,0,0,0|2,0,0]=4 4322 B9R1.41 Cn1ccnc1C(N)=O Amb2415054 [0,2,0,0,0,0|2,0,0]=4 4323 B9R1.41 Cn1cncc1C(=O)Cl Amb10844742 [0,2,0,0,0,0|2,0,0]=4 4324 B9R1.41 Cn1cncc1C(=O)Cl Amb2723357 [0,2,0,0,0,0|2,0,0]=4 4325 B9R1.41 Cn1cncc1C(=O)O Amb2723356 [0,2,0,0,0,0|2,0,0]=4 4326 B9R1.41 Cn1cncc1C(N)=O Amb10070980 [0,2,0,0,0,0|2,0,0]=4 4327 B9R1.41 Cn1nccc1C(=O)Cl Amb2692455 [0,2,0,0,0,0|2,0,0]=4 4328 B9R1.41 Cn1nccc1C(=O)O Amb1068318 [0,2,0,0,0,0|2,0,0]=4 4329 B9R1.41 Cn1nccc1C(N)=O Amb1948450 [0,2,0,0,0,0|2,0,0]=4 4330 B9R1.41 FC(F)c1occc1Br Amb33523350 [0,2,0,0,0,0|1,0,1]=4 4331 B9R1.41 N=C(N)c1sccc1Br Amb24478707 [0,2,0,0,0,0|1,1,0]=4 4332 B9R1.41 N=C(N)c1sccc1Cl Amb24532417 [0,2,0,0,0,0|1,1,0]=4 4333 B9R1.41 NC(=O)c1cccn1N Amb10067897 [0,2,0,0,0,0|1,0,0]=3 4334 B9R1.41 NC(=O)c1cccn1N Amb23440206 [0,2,0,0,0,0|1,0,0]=3 4335 B9R1.41 NC(=O)c1cccn1O Amb28136084 [0,2,0,0,0,0|1,0,0]=3 4336 B9R1.41 NC(=O)c1ccsc1Cl Amb28145949 [0,2,0,0,0,0|2,0,0]=4 4337 B9R1.41 NC(=O)c1ccsc1I Amb28052821 [0,2,0,0,0,0|2,0,0]=4 4338 B9R1.41 NC(=O)c1ccsc1N Amb6335617 [0,2,0,0,0,0|2,0,0]=4 4339 B9R1.41 NC(=O)c1cncn1N Amb27601665 [0,2,0,0,0,0|2,0,0]=4 4340 B9R1.41 NC(=O)c1cscc1Br Amb24610632 [0,2,0,0,0,0|2,0,0]=4 4341 B9R1.41 NC(=O)c1ncsc1Br Amb22753107 [0,2,0,0,0,0|2,0,0]=4 4342 B9R1.41 NC(=O)c1ncsc1Cl Amb23402176 [0,2,0,0,0,0|2,0,0]=4 4343 B9R1.41 NC(=O)c1ncsc1N Amb18643989 [0,2,0,0,0,0|2,0,0]=4 4344 B9R1.41 NC(=O)c1ncsc1S Amb26872701 [0,2,0,0,0,0|2,0,0]=4 4345 B9R1.41 NC(=O)c1nscc1N Amb1089974 [0,2,0,0,0,0|2,0,0]=4 4346 B9R1.41 NC(=O)c1occc1N Amb27882622 [0,2,0,0,0,0|0,0,0]=2 4347 B9R1.41 NC(=O)c1occc1N Amb33624323 [0,2,0,0,0,0|0,0,0]=2 4348 B9R1.41 NC(=O)c1sccc1Br Amb2782198 [0,2,0,0,0,0|0,1,0]=3 4349 B9R1.41 NC(=O)c1sccc1Cl Amb2433270 [0,2,0,0,0,0|0,1,0]=3 4350 B9R1.41 NC(=O)c1sccc1F Amb24681772 [0,2,0,0,0,0|0,1,0]=3 4351 B9R1.41 NC(=O)c1sccc1I Amb27667540 [0,2,0,0,0,0|0,1,0]=3 4352 B9R1.41 NC(=O)c1sccc1N Amb2684537 [0,2,0,0,0,0|0,1,0]=3 4353 B9R1.41 NC(=O)c1sccc1O Amb1398894 [0,2,0,0,0,0|0,1,0]=3 4354 B9R1.41 NC(=O)c1sccc1S Amb24594973 [0,2,0,0,0,0|0,1,0]=3 4355 B9R1.41 NC(=O)c1scnc1Cl Amb25714788 [0,2,0,0,0,0|1,1,0]=4 4356 B9R1.41 NC(=O)n1cccc1N Amb26869346 [0,2,0,0,0,0|2,0,0]=4 4357 B9R1.41 NC(=S)c1occc1Br Amb28077160 [0,2,0,0,0,0|0,1,0]=3 4358 B9R1.41 NC(=S)c1sccc1Br Amb2725775 [0,2,0,0,0,0|0,2,0]=4 4359 B9R1.41 NC(=S)c1sccc1Cl Amb27785656 [0,2,0,0,0,0|0,2,0]=4 4360 B9R1.41 Nc1ccoc1C(=O)O Amb18832709 [0,2,0,0,0,0|0,0,0]=2 4361 B9R1.41 Nc1ccsc1C(=O)O Amb19888389 [0,2,0,0,0,0|0,1,0]=3 4362 B9R1.41 Nc1ccsc1C(=O)O Amb2695071 [0,2,0,0,0,0|0,1,0]=3 4363 B9R1.41 Nc1ccsc1C(=O)[O-] Amb35782038 [0,2,0,0,0,0|0,1,0]=3 4364 B9R1.41 Nc1ccsc1[N+](=O)[O-] Amb22263237 [0,2,0,0,0,0|1,1,0]=4 4365 B9R1.41 Nc1cnsc1C(=O)O Amb18831515 [0,2,0,0,0,0|1,1,0]=4 4366 B9R1.41 Nc1cscc1C(=O)O Amb10071408 [0,2,0,0,0,0|2,0,0]=4 4367 B9R1.41 Nc1csnc1C(=O)O Amb10068068 [0,2,0,0,0,0|2,0,0]=4 4368 B9R1.41 Nc1csnc1C(=O)O Amb1068363 [0,2,0,0,0,0|2,0,0]=4 4369 B9R1.41 Nc1csnc1C(=O)O Amb20669014 [0,2,0,0,0,0|2,0,0]=4 4370 B9R1.41 Nc1ncsc1C(=O)O Amb24481890 [0,2,0,0,0,0|1,1,0]=4 4371 B9R1.41 Nc1sccc1C(=O)O Amb4296914 [0,2,0,0,0,0|2,0,0]=4 4372 B9R1.41 Nc1scnc1C(=O)O Amb25302896 [0,2,0,0,0,0|2,0,0]=4 4373 B9R1.41 Nn1cccc1C(=O)O Amb28143308 [0,2,0,0,0,0|1,0,0]=3 4374 B9R1.41 Nn1ccnc1C(=O)O Amb24470695 [0,2,0,0,0,0|2,0,0]=4 4375 B9R1.41 O=C(Cl)c1ccoc1Br Amb6572340 [0,2,0,0,0,0|2,0,0]=4 4376 B9R1.41 O=C(Cl)c1ccoc1Cl Amb27411494 [0,2,0,0,0,0|2,0,0]=4 4377 B9R1.41 O=C(Cl)c1cscc1Cl Amb27265816 [0,2,0,0,0,0|2,0,0]=4 4378 B9R1.41 O=C(Cl)c1nscc1Br Amb30013699 [0,2,0,0,0,0|2,0,0]=4 4379 B9R1.41 O=C(Cl)c1occc1Br Amb7990095 [0,2,0,0,0,0|0,0,0]=2 4380 B9R1.41 O=C(Cl)c1occc1Cl Amb25147033 [0,2,0,0,0,0|0,0,0]=2 4381 B9R1.41 O=C(Cl)c1occc1I Amb28196414 [0,2,0,0,0,0|0,0,0]=2 4382 B9R1.41 O=C(Cl)c1sccc1Br Amb2725784 [0,2,0,0,0,0|0,1,0]=3 4383 B9R1.41 O=C(Cl)c1sccc1Cl Amb2686484 [0,2,0,0,0,0|0,1,0]=3 4384 B9R1.41 O=C(Cl)c1scnc1Cl Amb27964265 [0,2,0,0,0,0|1,1,0]=4 4385 B9R1.41 O=C(O)C1=CC=CC1Cl Amb27780445 [0,2,0,0,0,0|1,0,0]=3 4386 B9R1.41 O=C(O)c1ccoc1Br Amb33544509 [0,2,0,0,0,0|2,0,0]=4 4387 B9R1.41 O=C(O)c1ccoc1Cl Amb25731243 [0,2,0,0,0,0|2,0,0]=4 4388 B9R1.41 O=C(O)c1ccoc1F Amb27241158 [0,2,0,0,0,0|2,0,0]=4 4389 B9R1.41 O=C(O)c1ccoc1I Amb25889545 [0,2,0,0,0,0|2,0,0]=4 4390 B9R1.41 O=C(O)c1ccsc1Br Amb2724056 [0,2,0,0,0,0|2,0,0]=4 4391 B9R1.41 O=C(O)c1ccsc1Cl Amb10576176 [0,2,0,0,0,0|2,0,0]=4 4392 B9R1.41 O=C(O)c1ccsc1F Amb2611690 [0,2,0,0,0,0|2,0,0]=4 4393 B9R1.41 O=C(O)c1ccsc1I Amb24741705 [0,2,0,0,0,0|2,0,0]=4 4394 B9R1.41 O=C(O)c1cocc1Br Amb27454338 [0,2,0,0,0,0|2,0,0]=4 4395 B9R1.41 O=C(O)c1cocc1Cl Amb18202241 [0,2,0,0,0,0|2,0,0]=4 4396 B9R1.41 O=C(O)c1cscc1Br Amb33548878 [0,2,0,0,0,0|2,0,0]=4 4397 B9R1.41 O=C(O)c1cscc1Cl Amb5720835 [0,2,0,0,0,0|2,0,0]=4 4398 B9R1.41 O=C(O)c1cscc1F Amb28364282 [0,2,0,0,0,0|2,0,0]=4 4399 B9R1.41 O=C(O)c1cscc1I Amb27235489 [0,2,0,0,0,0|2,0,0]=4 4400 B9R1.41 O=C(O)c1cscc1O Amb18124673 [0,2,0,0,0,0|2,0,0]=4 4401 B9R1.41 O=C(O)c1cscc1S Amb18126245 [0,2,0,0,0,0|2,0,0]=4 4402 B9R1.41 O=C(O)c1ncsc1Br Amb10067425 [0,2,0,0,0,0|2,0,0]=4 4403 B9R1.41 O=C(O)c1ncsc1S Amb26964290 [0,2,0,0,0,0|2,0,0]=4 4404 B9R1.41 O=C(O)c1nocc1Br Amb27813383 [0,2,0,0,0,0|2,0,0]=4 4405 B9R1.41 O=C(O)c1nocc1Cl Amb33496115 [0,2,0,0,0,0|2,0,0]=4 4406 B9R1.41 O=C(O)c1nocc1O Amb22055438 [0,2,0,0,0,0|2,0,0]=4 4407 B9R1.41 O=C(O)c1nscc1Br Amb25827572 [0,2,0,0,0,0|2,0,0]=4 4408 B9R1.41 O=C(O)c1nscc1I Amb25161872 [0,2,0,0,0,0|2,0,0]=4 4409 B9R1.41 O=C(O)c1occc1Br Amb7990094 [0,2,0,0,0,0|0,0,0]=2 4410 B9R1.41 O=C(O)c1occc1Cl Amb18202245 [0,2,0,0,0,0|0,0,0]=2 4411 B9R1.41 O=C(O)c1occc1F Amb26497027 [0,2,0,0,0,0|0,0,0]=2 4412 B9R1.41 O=C(O)c1sccc1Br Amb2685506 [0,2,0,0,0,0|0,1,0]=3 4413 B9R1.41 O=C(O)c1sccc1Cl Amb2686485 [0,2,0,0,0,0|0,1,0]=3 4414 B9R1.41 O=C(O)c1sccc1F Amb33542984 [0,2,0,0,0,0|0,1,0]=3 4415 B9R1.41 O=C(O)c1sccc1I Amb2688890 [0,2,0,0,0,0|0,1,0]=3 4416 B9R1.41 O=C(O)c1sccc1O Amb10069920 [0,2,0,0,0,0|0,1,0]=3 4417 B9R1.41 O=C(O)c1scnc1Br Amb18778174 [0,2,0,0,0,0|1,1,0]=4 4418 B9R1.41 O=C(O)c1scnc1Cl Amb6479171 [0,2,0,0,0,0|1,1,0]=4 4419 B9R1.41 O=C(O)c1scnc1S Amb27490987 [0,2,0,0,0,0|1,1,0]=4 4420 B9R1.41 O=C(O)c1sncc1Br Amb17595558 [0,2,0,0,0,0|1,1,0]=4 4421 B9R1.41 O=C(O)c1sncc1Cl Amb17594060 [0,2,0,0,0,0|1,1,0]=4 4422 B9R1.41 O=C([O-])c1sccc1Cl Amb15691661 [0,2,0,0,0,0|0,1,0]=3 4423 B9R1.41 O=N(=O)c1sccc1Br Amb20620585 [0,2,0,0,0,0|1,1,0]=4 4424 B9R1.41 O=S([O-])c1occc1Br Amb32755747 [0,2,0,0,0,0|1,0,0]=3 4425 B9R1.41 O=S([O-])c1sccc1Br Amb28049362 [0,2,0,0,0,0|1,1,0]=4 4426 B9R1.41 O=S([O-])c1sccc1Cl Amb32755324 [0,2,0,0,0,0|1,1,0]=4 4427 B9R1.41 O=S([O-])c1sccc1F Amb32755170 [0,2,0,0,0,0|1,1,0]=4 4428 B9R1.41 O=[N+]([O-])c1cccn1O Amb27200140 [0,2,0,0,0,0|2,0,0]=4 4429 B9R1.41 O=[N+]([O-])c1occc1O Amb27851691 [0,2,0,0,0,0|1,0,0]=3 4430 B9R1.41 O=[N+]([O-])c1occc1S Amb27193387 [0,2,0,0,0,0|1,0,0]=3 4431 B9R1.41 O=[N+]([O-])c1sccc1Br Amb2611394 [0,2,0,0,0,0|1,1,0]=4 4432 B9R1.41 O=[N+]([O-])c1sccc1Cl Amb33542894 [0,2,0,0,0,0|1,1,0]=4 4433 B9R1.41 O=[N+]([O-])c1sccc1F Amb27170997 [0,2,0,0,0,0|1,1,0]=4 4434 B9R1.41 O=[N+]([O-])c1sccc1O Amb5720115 [0,2,0,0,0,0|1,1,0]=4 4435 B9R1.41 OB(O)c1occc1Br Amb27207479 [0,2,0,0,0,0|1,0,1]=4 4436 B9R1.12 BrCCCc1ccco1 Amb17104550 [0,2,0,0,0,0|1,0,1]=4 4437 B9R1.12 BrCCSc1ccco1 Amb27817680 [0,2,0,0,0,0|1,0,1]=4 4438 B9R1.12 BrC\C=C\c1ccco1 Amb27867174 [0,2,0,0,0,0|1,0,0]=3 4439 B9R1.12 C#CCCc1ccco1 Amb27838602 [0,2,0,0,0,0|1,0,1]=4 4440 B9R1.12 C#CCOc1ccco1 Amb27239981 [0,2,0,0,0,0|1,0,1]=4 4441 B9R1.12 C=CCCc1ccco1 Amb35680299 [0,2,0,0,0,0|1,0,0]=3 4442 B9R1.12 C=CCCc1cccs1 Amb27476978 [0,2,0,0,0,0|1,1,0]=4 4443 B9R1.12 C=CCSc1ncco1 Amb27956580 [0,2,0,0,0,0|2,0,0]=4 4444 B9R1.12 C=C\C=C\c1cccs1 Amb26418485 [0,2,0,0,0,0|1,1,0]=4 4445 B9R1.12 C=C\N=C\c1cccs1 Amb27240018 [0,2,0,0,0,0|1,1,0]=4 4446 B9R1.12 CCCCc1ccco1 Amb10070290 [0,2,0,0,0,0|1,0,1]=4 4447 B9R1.12 CCNCc1ccco1 Amb1137312 [0,2,0,0,0,0|1,0,1]=4 4448 B9R1.12 CCNCc1ccco1 Amb8191019 [0,2,0,0,0,0|1,0,1]=4 4449 B9R1.12 CCOCc1ccco1 Amb22234292 [0,2,0,0,0,0|0,0,2]=4 4450 B9R1.12 CCSCc1ccco1 Amb26949169 [0,2,0,0,0,0|0,1,1]=4 4451 B9R1.12 CC\N=C\c1ccco1 Amb27443134 [0,2,0,0,0,0|1,0,0]=3 4452 B9R1.12 CNCCc1ccco1 Amb17399803 [0,2,0,0,0,0|1,0,1]=4 4453 B9R1.12 CNNCc1ccco1 Amb27463559 [0,2,0,0,0,0|1,0,1]=4 4454 B9R1.12 CO\C=C\c1cccs1 Amb27638492 [0,2,0,0,0,0|0,1,1]=4 4455 B9R1.12 CO\N=C\c1cccs1 Amb27396629 [0,2,0,0,0,0|0,1,1]=4 4456 B9R1.12 CSCCc1ccco1 Amb27438612 [0,2,0,0,0,0|0,1,1]=4 4457 B9R1.12 CSSCc1ccco1 Amb8393174 [0,2,0,0,0,0|0,1,1]=4 4458 B9R1.12 ClCCCc1ccco1 Amb8860563 [0,2,0,0,0,0|1,0,1]=4 4459 B9R1.12 Cl\C=C\Cc1ccco1 Amb27843650 [0,2,0,0,0,0|1,0,0]=3 4460 B9R1.12 Cl\C=C\Sc1cccs1 Amb27444040 [0,2,0,0,0,0|1,1,0]=4 4461 B9R1.12 N#CC#Cc1ccco1 Amb28143883 [0,2,0,0,0,0|1,0,1]=4 4462 B9R1.12 N#CCCc1ccco1 Amb20623925 [0,2,0,0,0,0|1,0,1]=4 4463 B9R1.12 N#CCNc1ccco1 Amb28247716 [0,2,0,0,0,0|1,0,1]=4 4464 B9R1.12 N#CSCc1ccco1 Amb27162772 [0,2,0,0,0,0|0,1,1]=4 4465 B9R1.12 N#C\C=C/c1ccco1 Amb28200911 [0,2,0,0,0,0|1,0,0]=3 4466 B9R1.12 N#C\C=C\c1cccs1 Amb3429733 [0,2,0,0,0,0|1,1,0]=4 4467 B9R1.12 NCC#Cc1ccco1 Amb27604728 [0,2,0,0,0,0|1,0,1]=4 4468 B9R1.12 NCCCc1ccco1 Amb534785 [0,2,0,0,0,0|1,0,1]=4 4469 B9R1.12 NCCOc1ccco1 Amb33360919 [0,2,0,0,0,0|1,0,1]=4 4470 B9R1.12 NCCSc1ccco1 Amb28326221 [0,2,0,0,0,0|1,0,1]=4 4471 B9R1.12 NC\C=C/c1cccs1 Amb27167022 [0,2,0,0,0,0|1,1,0]=4 4472 B9R1.12 NC\C=C\c1ccco1 Amb10560864 [0,2,0,0,0,0|1,0,0]=3 4473 B9R1.12 NC\C=C\c1cccs1 Amb18563038 [0,2,0,0,0,0|1,1,0]=4 4474 B9R1.12 NC\C=C\c1cnco1 Amb33414799 [0,2,0,0,0,0|2,0,0]=4 4475 B9R1.12 NOCCc1ccco1 Amb25208726 [0,2,0,0,0,0|0,0,2]=4 4476 B9R1.12 O=C=NCc1ccco1 Amb901884 [0,2,0,0,0,0|0,0,1]=3 4477 B9R1.12 O=C=NCc1cccs1 Amb33541078 [0,2,0,0,0,0|0,1,1]=4 4478 B9R1.12 O=C=NCc1ccno1 Amb18061876 [0,2,0,0,0,0|1,0,1]=4 4479 B9R1.12 O=C=NCc1cnco1 Amb33415269 [0,2,0,0,0,0|1,0,1]=4 4480 B9R1.12 O=CC#Cc1ccoc1 Amb27966716 [0,2,0,0,0,0|2,0,0]=4 4481 B9R1.12 O=CCCc1ccco1 Amb17081672 [0,2,0,0,0,0|0,0,0]=2 4482 B9R1.12 O=CCCc1cccs1 Amb17081673 [0,2,0,0,0,0|0,1,0]=3 4483 B9R1.12 O=CCCc1ccns1 Amb27235027 [0,2,0,0,0,0|1,1,0]=4 4484 B9R1.12 O=CCCc1ccoc1 Amb8394152 [0,2,0,0,0,0|2,0,0]=4 4485 B9R1.12 O=CCCc1ccsc1 Amb26961096 [0,2,0,0,0,0|2,0,0]=4 4486 B9R1.12 O=CCCc1cnco1 Amb26986955 [0,2,0,0,0,0|1,0,0]=3 4487 B9R1.12 O=CCCc1cncs1 Amb25705083 [0,2,0,0,0,0|1,1,0]=4 4488 B9R1.12 O=CCCc1nccs1 Amb8010561 [0,2,0,0,0,0|1,1,0]=4 4489 B9R1.12 O=CCCn1cccn1 Amb4303948 [0,2,0,0,0,0|2,0,0]=4 4490 B9R1.12 O=CCOc1ccsc1 Amb27191888 [0,2,0,0,0,0|2,0,0]=4 4491 B9R1.12 O=CCSc1cccs1 Amb17082929 [0,2,0,0,0,0|0,1,0]=3 4492 B9R1.12 O=CNCc1ccco1 Amb3319177 [0,2,0,0,0,0|0,0,0]=2 4493 B9R1.12 O=CNCc1cccs1 Amb27774671 [0,2,0,0,0,0|0,1,0]=3 4494 B9R1.12 O=CNCc1ccns1 Amb35720521 [0,2,0,0,0,0|1,1,0]=4 4495 B9R1.12 O=CNCc1ccoc1 Amb28188531 [0,2,0,0,0,0|2,0,0]=4 4496 B9R1.12 O=CNCc1ccon1 Amb27838478 [0,2,0,0,0,0|2,0,0]=4 4497 B9R1.12 O=CNCc1cncs1 Amb27628845 [0,2,0,0,0,0|1,1,0]=4 4498 B9R1.12 O=CNCc1nccs1 Amb25295210 [0,2,0,0,0,0|1,1,0]=4 4499 B9R1.12 O=COCc1ccco1 Amb26359842 [0,2,0,0,0,0|0,0,0]=2 4500 B9R1.12 O=COCn1cccc1 Amb26423885 [0,2,0,0,0,0|2,0,0]=4 4501 B9R1.12 O=C\C=C/c1ccco1 Amb27590405 [0,2,0,0,0,0|0,0,0]=2 4502 B9R1.12 O=C\C=C\c1ccco1 Amb33870988 [0,2,0,0,0,0|0,0,0]=2 4503 B9R1.12 O=C\C=C\c1cccs1 Amb17334164 [0,2,0,0,0,0|0,1,0]=3 4504 B9R1.12 O=C\C=C\c1ccns1 Amb35719811 [0,2,0,0,0,0|1,1,0]=4 4505 B9R1.12 O=C\C=C\c1ccoc1 Amb33136412 [0,2,0,0,0,0|2,0,0]=4 4506 B9R1.12 O=C\C=C\c1ccon1 Amb33197559 [0,2,0,0,0,0|2,0,0]=4 4507 B9R1.12 O=C\C=C\c1ccsc1 Amb18643292 [0,2,0,0,0,0|2,0,0]=4 4508 B9R1.12 O=C\C=C\c1cnco1 Amb33414801 [0,2,0,0,0,0|1,0,0]=3 4509 B9R1.12 O=C\C=C\c1cncs1 Amb33079492 [0,2,0,0,0,0|1,1,0]=4 4510 B9R1.12 O=C\C=C\c1cscn1 Amb25299918 [0,2,0,0,0,0|2,0,0]=4 4511 B9R1.12 O=C\C=C\c1nccs1 Amb33359384 [0,2,0,0,0,0|1,1,0]=4 4512 B9R1.12 O=C\C=C\n1cccn1 Amb18642043 [0,2,0,0,0,0|2,0,0]=4 4513 B9R1.12 OCC#Cc1ccco1 Amb28049071 [0,2,0,0,0,0|0,0,2]=4 4514 B9R1.12 OCCCc1ccco1 Amb8860560 [0,2,0,0,0,0|0,0,2]=4 4515 B9R1.12 OCCNc1ccco1 Amb27246618 [0,2,0,0,0,0|0,0,2]=4 4516 B9R1.12 OCCSc1ccco1 Amb27200113 [0,2,0,0,0,0|0,0,2]=4 4517 B9R1.12 OC\C=C\c1ccco1 Amb837544 [0,2,0,0,0,0|0,0,1]=3 4518 B9R1.12 OC\C=C\c1cccs1 Amb23555588 [0,2,0,0,0,0|0,1,1]=4 4519 B9R1.12 OC\C=C\c1cnco1 Amb33414800 [0,2,0,0,0,0|1,0,1]=4 4520 B9R1.12 O\N=C\Cc1ccco1 Amb28368538 [0,2,0,0,0,0|0,0,1]=3 4521 B9R1.12 S=C=NCc1ccco1 Amb6565407 [0,2,0,0,0,0|0,1,1]=4 4522 B9R1.12 SCCCc1ccco1 Amb17399874 [0,2,0,0,0,0|0,1,1]=4 4523 B9R1.12 [C-]#[N+]CCc1ccco1 Amb24743086 [0,2,0,0,0,0|1,0,1]=4 4524 B9R1.12 [N-]=[N+]=NC=C1C=CC=C1 Amb27424730 [0,2,0,0,0,0|2,0,0]=4 4525 B9R1.12 [N-]=[N+]=NCc1ccco1 Amb25791515 [0,2,0,0,0,0|1,0,1]=4 4526 B9R1.13 BrC(Br)=Cc1ccco1 Amb22228062 [0,2,0,0,0,0|1,0,0]=3 4527 B9R1.13 BrC(Br)=Cc1cccs1 Amb26079369 [0,2,0,0,0,0|1,1,0]=4 4528 B9R1.13 C=C(Br)Cc1ccco1 Amb24411253 [0,2,0,0,0,0|1,0,0]=3 4529 B9R1.13 C=C(Br)Cc1cccs1 Amb25185096 [0,2,0,0,0,0|1,1,0]=4 4530 B9R1.13 C=C(C)Cc1ccco1 Amb24673621 [0,2,0,0,0,0|1,0,0]=3 4531 B9R1.13 C=C(C)Cc1cccs1 Amb27413817 [0,2,0,0,0,0|1,1,0]=4 4532 B9R1.13 C=C(Cl)Cc1ccco1 Amb27881309 [0,2,0,0,0,0|1,0,0]=3 4533 B9R1.13 C=C(Cl)Cc1cccs1 Amb24674094 [0,2,0,0,0,0|1,1,0]=4 4534 B9R1.13 C=C(Cl)Sc1cccs1 Amb27462347 [0,2,0,0,0,0|1,1,0]=4 4535 B9R1.13 CC(=O)CC1C=CCO1 Amb28251003 [0,2,0,0,0,0|0,0,2]=4 4536 B9R1.13 CC(=O)C[C@@H]1C=CCO1 Amb28193210 [0,2,0,0,0,0|0,0,2]=4 4537 B9R1.13 CC(=O)Cc1ccco1 Amb5751052 [0,2,0,0,0,0|0,0,0]=2 4538 B9R1.13 CC(=O)Cc1cccs1 Amb3429447 [0,2,0,0,0,0|0,1,0]=3 4539 B9R1.13 CC(=O)Cc1ccno1 Amb24425365 [0,2,0,0,0,0|1,0,0]=3 4540 B9R1.13 CC(=O)Cc1ccns1 Amb35651562 [0,2,0,0,0,0|1,1,0]=4 4541 B9R1.13 CC(=O)Cc1ccoc1 Amb25713513 [0,2,0,0,0,0|2,0,0]=4 4542 B9R1.13 CC(=O)Cc1ccon1 Amb33080144 [0,2,0,0,0,0|2,0,0]=4 4543 B9R1.13 CC(=O)Cc1ccsc1 Amb6744886 [0,2,0,0,0,0|2,0,0]=4 4544 B9R1.13 CC(=O)Cc1cnco1 Amb33416893 [0,2,0,0,0,0|1,0,0]=3 4545 B9R1.13 CC(=O)Cc1cncs1 Amb25887376 [0,2,0,0,0,0|1,1,0]=4 4546 B9R1.13 CC(=O)Cc1cscn1 Amb26967074 [0,2,0,0,0,0|2,0,0]=4 4547 B9R1.13 CC(=O)Cc1nccs1 Amb6297701 [0,2,0,0,0,0|1,1,0]=4 4548 B9R1.13 CC(=O)Cc1nnco1 Amb27838736 [0,2,0,0,0,0|2,0,0]=4 4549 B9R1.13 CC(=O)Cn1cccn1 Amb1092543 [0,2,0,0,0,0|2,0,0]=4 4550 B9R1.13 CC(=O)Cn1cccn1 Amb21988437 [0,2,0,0,0,0|2,0,0]=4 4551 B9R1.13 CC(=O)Nc1ccco1 Amb2611741 [0,2,0,0,0,0|0,0,0]=2 4552 B9R1.13 CC(=O)Nc1cccs1 Amb2228309 [0,2,0,0,0,0|0,1,0]=3 4553 B9R1.13 CC(=O)Nc1ccon1 Amb25868303 [0,2,0,0,0,0|2,0,0]=4 4554 B9R1.13 CC(=O)Nc1ccsc1 Amb4036279 [0,2,0,0,0,0|2,0,0]=4 4555 B9R1.13 CC(=O)Nc1cscn1 Amb6298641 [0,2,0,0,0,0|2,0,0]=4 4556 B9R1.13 CC(=O)Nc1ncco1 Amb27614332 [0,2,0,0,0,0|1,0,0]=3 4557 B9R1.13 CC(=O)Nc1nccs1 Amb6336321 [0,2,0,0,0,0|1,1,0]=4 4558 B9R1.13 CC(=O)Oc1ccco1 Amb27614492 [0,2,0,0,0,0|0,0,0]=2 4559 B9R1.13 CC(=O)Oc1ccsc1 Amb28138065 [0,2,0,0,0,0|2,0,0]=4 4560 B9R1.13 CC(=O)On1cccc1 Amb28366433 [0,2,0,0,0,0|2,0,0]=4 4561 B9R1.13 CC(=O)Sc1ccsc1 Amb24727644 [0,2,0,0,0,0|2,0,0]=4 4562 B9R1.13 CC(=O)\C=C1/C=CCO1 Amb27186200 [0,2,0,0,0,0|0,0,1]=3 4563 B9R1.13 CC(=O)\C=C1\CC=CO1 Amb28326023 [0,2,0,0,0,0|0,0,1]=3 4564 B9R1.13 CC(Br)Cc1ccco1 Amb25074648 [0,2,0,0,0,0|1,0,1]=4 4565 B9R1.13 CC(C)Cc1ccco1 Amb2592659 [0,2,0,0,0,0|1,0,1]=4 4566 B9R1.13 CC(C)Oc1ccco1 Amb27451310 [0,2,0,0,0,0|1,0,1]=4 4567 B9R1.13 CC(C)Sc1ccco1 Amb28255929 [0,2,0,0,0,0|1,0,1]=4 4568 B9R1.13 CC(Cl)Cc1ccco1 Amb27472699 [0,2,0,0,0,0|1,0,1]=4 4569 B9R1.13 CC(N)Cc1ccco1 Amb534653 [0,2,0,0,0,0|1,0,1]=4 4570 B9R1.13 CC(O)Cc1ccco1 Amb22748663 [0,2,0,0,0,0|0,0,2]=4 4571 B9R1.13 CC(S)Cc1ccco1 Amb25132353 [0,2,0,0,0,0|0,1,1]=4 4572 B9R1.13 CN(O)Cc1ccco1 Amb33360968 [0,2,0,0,0,0|0,0,2]=4 4573 B9R1.13 C[C@@H](N)Cc1ccco1 Amb33360956 [0,2,0,0,0,0|1,0,1]=4 4574 B9R1.13 C[C@@H](O)Cc1ccco1 Amb24433279 [0,2,0,0,0,0|0,0,2]=4 4575 B9R1.13 C[C@H](N)Cc1ccco1 Amb27831576 [0,2,0,0,0,0|1,0,1]=4 4576 B9R1.13 C[C@H](O)Cc1ccco1 Amb28342905 [0,2,0,0,0,0|0,0,2]=4 4577 B9R1.13 C\[N+]([O-])=C\c1cccs1 Amb2613451 [0,2,0,0,0,0|0,1,1]=4 4578 B9R1.13 F\C(Br)=C\c1ccco1 Amb27847169 [0,2,0,0,0,0|1,0,0]=3 4579 B9R1.13 F\C(Br)=C\c1cccs1 Amb28428694 [0,2,0,0,0,0|1,1,0]=4 4580 B9R1.13 N=C(N)Cc1ccco1 Amb27834673 [0,2,0,0,0,0|1,0,0]=3 4581 B9R1.13 N=C(N)Cc1cccs1 Amb2696408 [0,2,0,0,0,0|1,1,0]=4 4582 B9R1.13 N=C(N)Cc1cccs1 Amb8630204 [0,2,0,0,0,0|1,1,0]=4 4583 B9R1.13 N=C(N)Cc1cnco1 Amb33319553 [0,2,0,0,0,0|2,0,0]=4 4584 B9R1.13 N=C(N)Sc1cccs1 Amb27794018 [0,2,0,0,0,0|1,1,0]=4 4585 B9R1.13 NC(=O)Cc1cccs1 Amb3620365 [0,2,0,0,0,0|0,1,0]=3 4586 B9R1.13 NC(=O)Cc1ccoc1 Amb28186970 [0,2,0,0,0,0|2,0,0]=4 4587 B9R1.13 NC(=O)Cc1ccsc1 Amb33545701 [0,2,0,0,0,0|2,0,0]=4 4588 B9R1.13 NC(=O)Cc1ccsn1 Amb27460712 [0,2,0,0,0,0|2,0,0]=4 4589 B9R1.13 NC(=O)Cc1cncs1 Amb22372056 [0,2,0,0,0,0|1,1,0]=4 4590 B9R1.13 NC(=O)Cc1cscn1 Amb2610764 [0,2,0,0,0,0|2,0,0]=4 4591 B9R1.13 NC(=O)Cn1cccn1 Amb10609663 [0,2,0,0,0,0|2,0,0]=4 4592 B9R1.13 NC(=O)Nc1ccco1 Amb27804619 [0,2,0,0,0,0|0,0,0]=2 4593 B9R1.13 NC(=O)Nc1cccs1 Amb28248962 [0,2,0,0,0,0|0,1,0]=3 4594 B9R1.13 NC(=O)Nc1ncco1 Amb27201421 [0,2,0,0,0,0|1,0,0]=3 4595 B9R1.13 NC(=S)Cc1ccco1 Amb27217977 [0,2,0,0,0,0|0,1,0]=3 4596 B9R1.13 NC(=S)Cc1cccs1 Amb1092031 [0,2,0,0,0,0|0,2,0]=4 4597 B9R1.13 NC(=S)Cc1cnco1 Amb33319552 [0,2,0,0,0,0|1,1,0]=4 4598 B9R1.13 NC(=S)Nc1cccs1 Amb27444130 [0,2,0,0,0,0|0,2,0]=4 4599 B9R1.13 O=C(Cl)Cc1ccco1 Amb25124003 [0,2,0,0,0,0|0,0,0]=2 4600 B9R1.13 O=C(Cl)Cc1cccs1 Amb535730 [0,2,0,0,0,0|0,1,0]=3 4601 B9R1.13 O=C(Cl)Cc1ccoc1 Amb27634134 [0,2,0,0,0,0|2,0,0]=4 4602 B9R1.13 O=C(Cl)Cc1ccsc1 Amb2690604 [0,2,0,0,0,0|2,0,0]=4 4603 B9R1.13 O=C(Cl)Nc1ccsc1 Amb35633253 [0,2,0,0,0,0|2,0,0]=4 4604 B9R1.13 O=C(O)CC1=CC=CC1 Amb28370362 [0,2,0,0,0,0|1,0,0]=3 4605 B9R1.13 O=C(O)CC1=CCC=C1 Amb27945563 [0,2,0,0,0,0|1,0,1]=4 4606 B9R1.13 O=C(O)Cc1ccco1 Amb2792725 [0,2,0,0,0,0|0,0,0]=2 4607 B9R1.13 O=C(O)Cc1cccs1 Amb6335251 [0,2,0,0,0,0|0,1,0]=3 4608 B9R1.13 O=C(O)Cc1ccno1 Amb8009410 [0,2,0,0,0,0|1,0,0]=3 4609 B9R1.13 O=C(O)Cc1ccns1 Amb18831590 [0,2,0,0,0,0|1,1,0]=4 4610 B9R1.13 O=C(O)Cc1ccoc1 Amb2611514 [0,2,0,0,0,0|2,0,0]=4 4611 B9R1.13 O=C(O)Cc1ccon1 Amb8009412 [0,2,0,0,0,0|2,0,0]=4 4612 B9R1.13 O=C(O)Cc1ccsc1 Amb1151879 [0,2,0,0,0,0|2,0,0]=4 4613 B9R1.13 O=C(O)Cc1ccsn1 Amb18831591 [0,2,0,0,0,0|2,0,0]=4 4614 B9R1.13 O=C(O)Cc1cnco1 Amb8009409 [0,2,0,0,0,0|1,0,0]=3 4615 B9R1.13 O=C(O)Cc1cncs1 Amb3319218 [0,2,0,0,0,0|1,1,0]=4 4616 B9R1.13 O=C(O)Cc1cocn1 Amb8009408 [0,2,0,0,0,0|2,0,0]=4 4617 B9R1.13 O=C(O)Cc1cscn1 Amb17039671 [0,2,0,0,0,0|2,0,0]=4 4618 B9R1.13 O=C(O)Cc1cscn1 Amb33537693 [0,2,0,0,0,0|2,0,0]=4 4619 B9R1.13 O=C(O)Cc1ncco1 Amb8009407 [0,2,0,0,0,0|1,0,0]=3 4620 B9R1.13 O=C(O)Cc1nccs1 Amb9533133 [0,2,0,0,0,0|1,1,0]=4 4621 B9R1.13 O=C(O)Cc1nnco1 Amb22753920 [0,2,0,0,0,0|2,0,0]=4 4622 B9R1.13 O=C(O)Cn1cccc1 Amb1124868 [0,2,0,0,0,0|2,0,0]=4 4623 B9R1.13 O=C(O)Cn1cccn1 Amb1157167 [0,2,0,0,0,0|2,0,0]=4 4624 B9R1.13 O=C([O-])Cc1ccoc1 Amb8439404 [0,2,0,0,0,0|2,0,0]=4 4625 B9R1.13 O=C([O-])Cc1cnco1 Amb33621239 [0,2,0,0,0,0|1,0,0]=3 4626 B9R1.13 O=C([O-])Cc1nccs1 Amb32648040 [0,2,0,0,0,0|1,1,0]=4 4627 B9R1.13 O=C([O-])Cc1nnco1 Amb20667981 [0,2,0,0,0,0|2,0,0]=4 4628 B9R1.13 O=C([OH2+])Cn1cccn1 Amb10552495 [0,2,0,0,0,0|2,0,0]=4 4629 B9R1.13 O=S([O-])Cc1ccno1 Amb32755743 [0,2,0,0,0,0|1,0,1]=4 4630 B9R1.13 O=[N+]([O-])C=C1NC=CN1 Amb27623031 [0,2,0,0,0,0|2,0,0]=4 4631 B9R1.13 O=[N+]([O-])Cc1ccco1 Amb28240844 [0,2,0,0,0,0|0,0,1]=3 4632 B9R1.13 O=[N+]([O-])Cc1cccs1 Amb26527648 [0,2,0,0,0,0|0,1,1]=4 4633 B9R1.13 O=[N+]([O-])Cc1cnco1 Amb33414797 [0,2,0,0,0,0|1,0,1]=4 4634 B9R1.13 OC(=S)Cc1cccs1 Amb2611516 [0,2,0,0,0,0|0,1,1]=4 4635 B9R1.33 C#CCc1occc1C Amb33501881 [0,2,0,0,0,0|1,0,1]=4 4636 B9R1.33 C=CCc1cccn1C Amb26872959 [0,2,0,0,0,0|2,0,0]=4 4637 B9R1.33 C=CCc1sccc1I Amb27268613 [0,2,0,0,0,0|1,1,0]=4 4638 B9R1.33 CC\C=C1/CC=CC1=O Amb28144042 [0,2,0,0,0,0|2,0,0]=4 4639 B9R1.33 CNCc1occc1C Amb6572132 [0,2,0,0,0,0|1,0,1]=4 4640 B9R1.33 COCc1occc1Br Amb28204905 [0,2,0,0,0,0|0,0,2]=4 4641 B9R1.33 COCc1occc1C Amb27665910 [0,2,0,0,0,0|0,0,2]=4 4642 B9R1.33 C\N=C\c1ocnc1C Amb27789050 [0,2,0,0,0,0|2,0,0]=4 4643 B9R1.33 Cc1ccoc1CC#N Amb25247026 [0,2,0,0,0,0|1,0,1]=4 4644 B9R1.33 Cc1ccoc1CC=O Amb28198051 [0,2,0,0,0,0|0,0,0]=2 4645 B9R1.33 Cc1ccoc1CCBr Amb26874546 [0,2,0,0,0,0|1,0,1]=4 4646 B9R1.33 Cc1ccoc1CCCl Amb28366072 [0,2,0,0,0,0|1,0,1]=4 4647 B9R1.33 Cc1ccoc1CCN Amb18832814 [0,2,0,0,0,0|1,0,1]=4 4648 B9R1.33 Cc1ccoc1CCO Amb25300068 [0,2,0,0,0,0|0,0,2]=4 4649 B9R1.33 Cc1ccoc1CCS Amb33342789 [0,2,0,0,0,0|0,1,1]=4 4650 B9R1.33 Cc1ccoc1CNN Amb6250434 [0,2,0,0,0,0|1,0,1]=4 4651 B9R1.33 Cc1ccoc1CNO Amb26944486 [0,2,0,0,0,0|0,0,2]=4 4652 B9R1.33 Cc1ccoc1CON Amb33343539 [0,2,0,0,0,0|0,0,2]=4 4653 B9R1.33 Cc1ccoc1N=C=O Amb6572129 [0,2,0,0,0,0|0,0,1]=3 4654 B9R1.33 Cc1ccsc1CC=O Amb27155654 [0,2,0,0,0,0|0,1,0]=3 4655 B9R1.33 Cc1ccsc1NC=O Amb8439406 [0,2,0,0,0,0|0,1,0]=3 4656 B9R1.33 Cc1ccsc1\C=C\Br Amb33134854 [0,2,0,0,0,0|1,1,0]=4 4657 B9R1.33 Cc1ccsc1\C=N\N Amb22342744 [0,2,0,0,0,0|1,1,0]=4 4658 B9R1.33 Cc1ccsc1\C=N\O Amb2782070 [0,2,0,0,0,0|0,1,1]=4 4659 B9R1.33 Cc1cocc1CC=O Amb27184774 [0,2,0,0,0,0|2,0,0]=4 4660 B9R1.33 Cc1cscc1CC=O Amb33146522 [0,2,0,0,0,0|2,0,0]=4 4661 B9R1.33 Cc1cscc1NC=O Amb27424326 [0,2,0,0,0,0|2,0,0]=4 4662 B9R1.33 Cc1ncoc1\C=C\Br Amb33135378 [0,2,0,0,0,0|2,0,0]=4 4663 B9R1.33 Cc1ncoc1\C=N\O Amb27613075 [0,2,0,0,0,0|1,0,1]=4 4664 B9R1.33 Cc1ncsc1CC=O Amb8010897 [0,2,0,0,0,0|1,1,0]=4 4665 B9R1.33 Cc1occc1CC=O Amb25147113 [0,2,0,0,0,0|2,0,0]=4 4666 B9R1.33 Cc1occc1NC=O Amb19148029 [0,2,0,0,0,0|2,0,0]=4 4667 B9R1.33 ClCCc1occc1Br Amb27399521 [0,2,0,0,0,0|1,0,1]=4 4668 B9R1.33 Cn1cccc1CC=O Amb27244764 [0,2,0,0,0,0|1,0,0]=3 4669 B9R1.33 Cn1cccc1N=C=O Amb26966988 [0,2,0,0,0,0|1,0,1]=4 4670 B9R1.33 Cn1cccc1OC=O Amb27636461 [0,2,0,0,0,0|1,0,0]=3 4671 B9R1.33 Cn1cccc1\C=C\Br Amb33134919 [0,2,0,0,0,0|2,0,0]=4 4672 B9R1.33 Cn1cccc1\C=N\N Amb28365831 [0,2,0,0,0,0|2,0,0]=4 4673 B9R1.33 Cn1cccc1\C=N\O Amb3520695 [0,2,0,0,0,0|1,0,1]=4 4674 B9R1.33 Cn1cncc1CC=O Amb25828319 [0,2,0,0,0,0|2,0,0]=4 4675 B9R1.33 Cn1nccc1CC=O Amb26653892 [0,2,0,0,0,0|2,0,0]=4 4676 B9R1.33 Cn1nccc1NC=O Amb2389986 [0,2,0,0,0,0|2,0,0]=4 4677 B9R1.33 NCCc1occc1Br Amb18186835 [0,2,0,0,0,0|1,0,1]=4 4678 B9R1.33 NCCc1occc1Cl Amb18202348 [0,2,0,0,0,0|1,0,1]=4 4679 B9R1.33 NCCc1occc1F Amb27786685 [0,2,0,0,0,0|1,0,1]=4 4680 B9R1.33 Nc1ccsc1\C=N\O Amb27489543 [0,2,0,0,0,0|0,1,1]=4 4681 B9R1.33 O=C=Nc1occc1Br Amb35675853 [0,2,0,0,0,0|0,0,1]=3 4682 B9R1.33 O=C=Nc1sccc1Br Amb33531035 [0,2,0,0,0,0|0,1,1]=4 4683 B9R1.33 O=CCc1occc1Br Amb28049072 [0,2,0,0,0,0|0,0,0]=2 4684 B9R1.33 O=CCc1sccc1Br Amb24534254 [0,2,0,0,0,0|0,1,0]=3 4685 B9R1.33 O=CCc1sccc1Cl Amb26509642 [0,2,0,0,0,0|0,1,0]=3 4686 B9R1.33 O=CCn1nccc1Cl Amb27862518 [0,2,0,0,0,0|2,0,0]=4 4687 B9R1.33 OCCc1occc1Br Amb26397345 [0,2,0,0,0,0|0,0,2]=4 4688 B9R1.33 O\N=C\c1occc1Br Amb27768798 [0,2,0,0,0,0|0,0,1]=3 4689 B9R1.33 O\N=C\c1sccc1Br Amb6346195 [0,2,0,0,0,0|0,1,1]=4 4690 B9R1.33 [C-]#[N+]Cc1occc1C Amb33343819 [0,2,0,0,0,0|1,0,1]=4 4691 B9R1.134 CC1(CC=O)C=CC=C1 Amb27166178 [0,2,0,0,0,0|1,0,1]=4 4692 B9R1.14 C#Cc1ccoc1CN Amb28401307 [0,2,0,0,0,0|1,0,1]=4 4693 B9R1.14 C#Cc1ccsc1C=O Amb26540990 [0,2,0,0,0,0|0,1,0]=3 4694 B9R1.14 C=Cc1ccsc1C=O Amb25920583 [0,2,0,0,0,0|0,1,0]=3 4695 B9R1.14 C=Cc1cscc1C=O Amb27209813 [0,2,0,0,0,0|2,0,0]=4 4696 B9R1.14 C=Cc1sccc1CC Amb32729142 [0,2,0,0,0,0|1,1,0]=4 4697 B9R1.14 C=Cn1ccnc1C=O Amb26874462 [0,2,0,0,0,0|2,0,0]=4 4698 B9R1.14 C=Cn1nccc1C=O Amb25940730 [0,2,0,0,0,0|2,0,0]=4 4699 B9R1.14 CCc1ccoc1C#N Amb33188883 [0,2,0,0,0,0|1,0,1]=4 4700 B9R1.14 CCc1ccoc1C=O Amb18139773 [0,2,0,0,0,0|0,0,0]=2 4701 B9R1.14 CCc1ccoc1CN Amb29860301 [0,2,0,0,0,0|1,0,1]=4 4702 B9R1.14 CCc1ccoc1CS Amb28292958 [0,2,0,0,0,0|0,1,1]=4 4703 B9R1.14 CCc1cocc1C=O Amb18681114 [0,2,0,0,0,0|2,0,0]=4 4704 B9R1.14 CCc1cscc1C=O Amb18680899 [0,2,0,0,0,0|2,0,0]=4 4705 B9R1.14 CCc1ncsc1C=O Amb27472095 [0,2,0,0,0,0|1,1,0]=4 4706 B9R1.14 CCc1occc1C=O Amb18832921 [0,2,0,0,0,0|1,0,1]=4 4707 B9R1.14 CCc1occc1CO Amb27444076 [0,2,0,0,0,0|1,0,1]=4 4708 B9R1.14 CCc1occc1CS Amb27862619 [0,2,0,0,0,0|1,0,1]=4 4709 B9R1.14 CCc1occc1SC Amb27795113 [0,2,0,0,0,0|1,0,1]=4 4710 B9R1.14 CCc1sccc1C=O Amb25868889 [0,2,0,0,0,0|2,0,0]=4 4711 B9R1.14 CCn1cccc1C=O Amb33531562 [0,2,0,0,0,0|1,0,0]=3 4712 B9R1.14 CCn1ccnc1C=O Amb7093336 [0,2,0,0,0,0|2,0,0]=4 4713 B9R1.14 CCn1cncc1C=O Amb22000948 [0,2,0,0,0,0|2,0,0]=4 4714 B9R1.14 CCn1cncc1C=O Amb6364815 [0,2,0,0,0,0|2,0,0]=4 4715 B9R1.14 CCn1nccc1C=O Amb1946013 [0,2,0,0,0,0|2,0,0]=4 4716 B9R1.14 COc1ccoc1C=O Amb18832783 [0,2,0,0,0,0|0,0,0]=2 4717 B9R1.14 COc1ccoc1CS Amb25090900 [0,2,0,0,0,0|0,1,1]=4 4718 B9R1.14 COc1ccsc1C=O Amb2611738 [0,2,0,0,0,0|0,1,0]=3 4719 B9R1.14 COc1cocc1C=O Amb27230589 [0,2,0,0,0,0|2,0,0]=4 4720 B9R1.14 COc1cscc1C=O Amb18643871 [0,2,0,0,0,0|2,0,0]=4 4721 B9R1.14 COc1sccc1C=O Amb18643875 [0,2,0,0,0,0|2,0,0]=4 4722 B9R1.14 COn1cccc1C=O Amb27801782 [0,2,0,0,0,0|1,0,0]=3 4723 B9R1.14 CSc1sccc1C=O Amb3429701 [0,2,0,0,0,0|2,0,0]=4 4724 B9R1.14 C\C=C1\OC=CC1CO Amb28315503 [0,2,0,0,0,0|1,0,1]=4 4725 B9R1.14 N#Cc1ccoc1C#N Amb27263677 [0,2,0,0,0,0|1,0,1]=4 4726 B9R1.14 N#Cc1ccoc1C=O Amb18833003 [0,2,0,0,0,0|0,0,0]=2 4727 B9R1.14 N#Cc1ccoc1CS Amb26328829 [0,2,0,0,0,0|0,1,1]=4 4728 B9R1.14 N#Cc1ccsc1C=O Amb18124487 [0,2,0,0,0,0|0,1,0]=3 4729 B9R1.14 N#Cc1cocc1C=O Amb18833000 [0,2,0,0,0,0|2,0,0]=4 4730 B9R1.14 N#Cc1cscc1C=O Amb18124488 [0,2,0,0,0,0|2,0,0]=4 4731 B9R1.14 N#Cc1occc1C=O Amb18833004 [0,2,0,0,0,0|1,0,1]=4 4732 B9R1.14 N#Cc1occc1CBr Amb27848666 [0,2,0,0,0,0|1,0,1]=4 4733 B9R1.14 N#Cc1sccc1C=O Amb18124489 [0,2,0,0,0,0|2,0,0]=4 4734 B9R1.14 N#Cc1scnc1C=O Amb28121853 [0,2,0,0,0,0|2,0,0]=4 4735 B9R1.14 O=CC1=CC=CC1C=O Amb27827381 [0,2,0,0,0,0|1,0,0]=3 4736 B9R1.14 O=CC1=CCC=C1C=O Amb27949629 [0,2,0,0,0,0|1,0,1]=4 4737 B9R1.14 O=Cc1ccsc1C=O Amb2611501 [0,2,0,0,0,0|0,1,0]=3 4738 B9R1.14 O=Cc1ccsc1CO Amb24665662 [0,2,0,0,0,0|2,0,0]=4 4739 B9R1.14 O=Cc1cocc1CO Amb2610310 [0,2,0,0,0,0|2,0,0]=4 4740 B9R1.14 O=Cc1cscc1C=O Amb8394153 [0,2,0,0,0,0|2,0,0]=4 4741 B9R1.14 O=Cc1ncsc1C=O Amb8395983 [0,2,0,0,0,0|1,1,0]=4 4742 B9R1.14 O=Cc1ncsc1CBr Amb27838604 [0,2,0,0,0,0|2,0,0]=4 4743 B9R1.14 O=Cc1nocc1CCl Amb18198373 [0,2,0,0,0,0|2,0,0]=4 4744 B9R1.14 OCc1ccoc1CO Amb25226420 [0,2,0,0,0,0|0,0,2]=4 4745 B9R1.27 Cc1ccc(C)n1C=O Amb17938763 [0,2,0,0,0,0|2,0,0]=4 4746 B9R1.27 Cc1ccn(C)c1C=O Amb18832960 [0,2,0,0,0,0|1,0,0]=3 4747 B9R1.27 Cc1cnn(C)c1C=O Amb8010949 [0,2,0,0,0,0|2,0,0]=4 4748 B9R1.27 Cc1coc(C)c1C=O Amb10982463 [0,2,0,0,0,0|2,0,0]=4 4749 B9R1.27 Cc1csc(C)c1C=O Amb25888648 [0,2,0,0,0,0|2,0,0]=4 4750 B9R1.27 Cc1ncn(C)c1C=O Amb8010962 [0,2,0,0,0,0|2,0,0]=4 4751 B9R1.27 Cn1cnc(Br)c1C=O Amb2455704 [0,2,0,0,0,0|2,0,0]=4 4752 B9R1.27 Cn1cnc(Cl)c1C=O Amb18202378 [0,2,0,0,0,0|2,0,0]=4 4753 B9R1.27 Cn1cnc(I)c1C=O Amb2455721 [0,2,0,0,0,0|2,0,0]=4 4754 B9R1.27 Cn1ncc(Br)c1C=O Amb1935223 [0,2,0,0,0,0|2,0,0]=4 4755 B9R1.27 Cn1ncc(Cl)c1C=O Amb1945846 [0,2,0,0,0,0|2,0,0]=4 4756 B9R1.27 Cn1ncc(F)c1C=O Amb27966127 [0,2,0,0,0,0|2,0,0]=4 4757 B9R1.27 Cn1ncc(I)c1C=O Amb21964134 [0,2,0,0,0,0|2,0,0]=4 4758 B9R1.27 Cn1ncc(O)c1C=O Amb18832773 [0,2,0,0,0,0|2,0,0]=4 4759 B9R1.27 O=Cc1c(Br)csc1Br Amb22752170 [0,2,0,0,0,0|2,0,0]=4 4760 B7R1.3 Brc1ccccc1 Amb2795756 [0,0,1,1,0,0|2,0,0]=4 4761 B7R1.3 Brc1cccnc1 Amb535815 [0,0,1,1,0,0|2,0,0]=4 4762 B7R1.3 Cc1cccnc1 Amb2447038 [0,0,1,1,0,0|2,0,0]=4 4763 B7R1.3 Clc1ccccc1 Amb2793069 [0,0,1,1,0,0|2,0,0]=4 4764 B7R1.3 Clc1cccnc1 Amb8387117 [0,0,1,1,0,0|2,0,0]=4 4765 B7R1.3 Fc1ccccc1 Amb2688018 [0,0,1,1,0,0|2,0,0]=4 4766 B7R1.3 Fc1cccnc1 Amb2688409 [0,0,1,1,0,0|2,0,0]=4 4767 B7R1.3 Ic1ccccc1 Amb22491511 [0,0,1,1,0,0|2,0,0]=4 4768 B7R1.3 Ic1ccccc1 Amb2688833 [0,0,1,1,0,0|2,0,0]=4 4769 B7R1.3 Ic1cccnc1 Amb2610015 [0,0,1,1,0,0|2,0,0]=4 4770 B7R1.3 Nc1ccccc1 Amb1935238 [0,0,1,1,0,0|2,0,0]=4 4771 B7R1.3 Nc1ccccc1 Amb33716473 [0,0,1,1,0,0|2,0,0]=4 4772 B7R1.3 Nc1ccccc1 Amb6383295 [0,0,1,1,0,0|2,0,0]=4 4773 B7R1.3 Nc1ccccc1 Amb6609036 [0,0,1,1,0,0|2,0,0]=4 4774 B7R1.3 Nc1ccccc1 Amb8513537 [0,0,1,1,0,0|2,0,0]=4 4775 B7R1.3 Nc1ccccc1 Amb8516488 [0,0,1,1,0,0|2,0,0]=4 4776 B7R1.3 Nc1cccnc1 Amb2609930 [0,0,1,1,0,0|2,0,0]=4 4777 B7R1.3 O=C1C=CC=CO1 Amb21951679 [0,0,1,1,0,0|2,0,0]=4 4778 B7R1.3 Oc1ccccc1 Amb2793000 [0,0,1,1,0,0|1,0,0]=3 4779 B7R1.3 Oc1ccccc1 Amb34916329 [0,0,1,1,0,0|1,0,0]=3 4780 B7R1.3 Oc1ccccn1 Amb2609925 [0,0,1,1,0,0|2,0,0]=4 4781 B7R1.3 Oc1ccccn1 Amb33716976 [0,0,1,1,0,0|2,0,0]=4 4782 B7R1.3 Oc1cccnc1 Amb534212 [0,0,1,1,0,0|1,0,0]=3 4783 B7R1.3 Oc1cccnn1 Amb2610009 [0,0,1,1,0,0|2,0,0]=4 4784 B7R1.3 Oc1ccncc1 Amb2610065 [0,0,1,1,0,0|2,0,0]=4 4785 B7R1.3 Oc1ccnnc1 Amb10602745 [0,0,1,1,0,0|2,0,0]=4 4786 B7R1.3 Oc1ccnnc1 Amb22640973 [0,0,1,1,0,0|2,0,0]=4 4787 B7R1.3 Oc1ccnnc1 Amb24053159 [0,0,1,1,0,0|2,0,0]=4 4788 B7R1.3 Oc1cnccn1 Amb8438914 [0,0,1,1,0,0|2,0,0]=4 4789 B7R1.3 Oc1cncnc1 Amb22500888 [0,0,1,1,0,0|2,0,0]=4 4790 B7R1.3 Oc1cncnc1 Amb8397263 [0,0,1,1,0,0|2,0,0]=4 4791 B7R1.3 Sc1ccccc1 Amb2793090 [0,0,1,1,0,0|1,1,0]=4 4792 B7R1.3 Sc1cccnc1 Amb13887011 [0,0,1,1,0,0|1,1,0]=4 4793 B7R1.3 [Hg+]c1ccccc1 Amb22054115 [0,0,1,1,0,0|2,0,0]=4 4794 B7R1.3 [Li]c1ccccc1 Amb8516466 [0,0,1,1,0,0|2,0,0]=4 4795 B7R1.3 [Mg+]c1ccccc1 Amb22045898 [0,0,1,1,0,0|2,0,0]=4 4796 B7R1.3 [O-]c1ccc[nH+]c1 Amb22492605 [0,0,1,1,0,0|1,0,1]=4 4797 B7R1.3 [O-]c1ccccc1 Amb20240913 [0,0,1,1,0,0|1,0,1]=4 4798 B7R1.3 [O-]c1ccccc1 Amb31292462 [0,0,1,1,0,0|1,0,1]=4 4799 B7R1.3 [O-]c1cccnc1 Amb8513337 [0,0,1,1,0,0|1,0,1]=4 4800 B7R1.3 [S-]c1ccccc1 Amb22360782 [0,0,1,1,0,0|1,1,0]=4 4801 B7R1.3 [SH2+]c1ccccc1 Amb24524316 [0,0,1,1,0,0|1,1,0]=4 4802 B7R1.3 [SeH]c1ccccc1 Amb8513211 [0,0,1,1,0,0|1,1,0]=4 4803 B7R1.3 [SiH3]c1ccccc1 Amb2690322 [0,0,1,1,0,0|2,0,0]=4 4804 B7R1.15 O=C1C=C(O)C1=O Amb22171298 [0,0,1,1,0,0|1,0,0]=3 4805 B7R1.24 C1=CC=CCC=C1 Amb6609003 [0,0,1,1,0,0|2,0,0]=4 4806 B7R1.24 C1=CNC=CN=C1 Amb27595980 [0,0,1,1,0,0|2,0,0]=4 4807 B9R2.50 C1=Cc2ccccc21 Amb19515942 [0,0,0,1,0,1|2,0,0]=4 4808 B9R2.50 C1=Nc2ccncc21 Amb27490817 [0,0,0,1,0,1|2,0,0]=4 4809 B9R2.39 O=C1CC2C=CC1O2 Amb27151592 [0,1,0,1,0,0|0,0,2]=4 4810 B9R2.2 c1coc(C2CC2)c1 Amb24323177 [0,1,0,1,0,0|1,0,1]=4 4811 B9R2.2 c1coc(C2CN2)c1 Amb18224247 [0,1,0,1,0,0|1,0,1]=4 4812 B9R2.2 c1coc(C2CO2)c1 Amb1135121 [0,1,0,1,0,0|0,0,2]=4 4813 B9R2.2 c1coc(C2CS2)c1 Amb28367857 [0,1,0,1,0,0|0,1,1]=4 4814 B9R2.2 c1coc([C@@H]2CO2)c1 Amb33360896 [0,1,0,1,0,0|0,0,2]=4 4815 B9R2.2 c1coc([C@H]2CO2)c1 Amb33360893 [0,1,0,1,0,0|0,0,2]=4 4816 B9R2.3 C1=NCc2ccsc21 Amb27828755 [0,1,0,1,0,0|1,1,0]=4 4817 B9R2.3 c1cc2c(o1)CNC2 Amb18203409 [0,1,0,1,0,0|1,0,1]=4 4818 B9R2.3 c1cc2c(o1)NCC2 Amb18833124 [0,1,0,1,0,0|1,0,1]=4 4819 B9R2.3 c1cc2ccnc2n1 Amb27881525 [0,1,0,1,0,0|2,0,0]=4 4820 B9R2.3 c1cc2cscc2o1 Amb27817005 [0,1,0,1,0,0|0,1,0]=3 4821 B9R2.3 c1cc2cscc2s1 Amb9790317 [0,1,0,1,0,0|0,2,0]=4 4822 B9R2.3 c1cc2sccc2s1 Amb2611506 [0,1,0,1,0,0|0,2,0]=4 4823 B9R2.3 c1cc2sccn2c1 Amb28312857 [0,1,0,1,0,0|2,0,0]=4 4824 B9R2.3 c1cc2scnc2o1 Amb23412528 [0,1,0,1,0,0|0,1,0]=3 4825 B9R2.3 c1nc2sccc2s1 Amb23412515 [0,1,0,1,0,0|0,2,0]=4 4826 B5R1.2 C=C1CCO1 Amb22736695 [1,0,0,0,1,0|0,0,2]=4 4827 B5R1.2 O=C1C=CC1 Amb24477666 [1,0,0,0,1,0|0,0,1]=3 4828 B5R1.2 O=C1CCO1 Amb8514945 [1,0,0,0,1,0|0,0,2]=4 4829 B5R1.2 O=C1O[Ba]O1 Amb22052524 [1,0,0,0,1,0|2,0,0]=4 4830 B5R1.2 O=C1O[Mg]O1 Amb22052493 [1,0,0,0,1,0|2,0,0]=4 4831 B5R1.2 O=C1O[PbH2]O1 Amb22052516 [1,0,0,0,1,0|2,0,0]=4 4832 B5R1.3 O=CC1C=C1 Amb27210245 [0,0,0,0,2,0|0,0,1]=3 4833 B5R1.3 O=CC1CO1 Amb17593007 [0,0,0,0,2,0|0,0,2]=4 4834 B5R1.3 O=C[C@@H]1CO1 Amb27882887 [0,0,0,0,2,0|0,0,2]=4 4835 B9R1.89 O=CC1=CC=CC=CC1 Amb17593229 [0,0,0,0,0,2|1,0,0]=3 4836 B9R1.89 O=CC1=CCC=CC=C1 Amb27955933 [0,0,0,0,0,2|1,0,0]=3 4837 B9R1.89 O=C[C@H]1C=CCC=CC1 Amb27876323 [0,0,0,0,0,2|1,0,1]=4