0 B18R2.9259 Cc1ccc(cc1)SCC2=CC(=O)C(O)=CO2 Amb21176408 [0,0,0,0,0,0|1,1,0]=2 1 B18R2.9259 NC1=CN=C(COc2ccc(Cl)cc2)NC1=O Amb18531754 [0,0,0,0,0,0|3,0,0]=3 2 B18R2.9259 OC1=COC(CSc2ccc(Br)cc2)=CC1=O Amb21176416 [0,0,0,0,0,0|0,2,0]=2 3 B18R2.9259 OC1=COC(CSc2ccc(Cl)cc2)=CC1=O Amb21176402 [0,0,0,0,0,0|0,1,0]=1 4 B18R2.9259 OC1=COC(CSc2ccc(F)cc2)=CC1=O Amb21176422 [0,0,0,0,0,0|0,2,0]=2 5 B18R2.9259 Oc1ccc(cc1)OCc2ccc(c(c2)C)C Amb17248169 [0,0,0,0,0,0|4,0,0]=4 6 B17R2.193 NC1=CN=C(COc2ccccc2)NC1=O Amb18531749 [1,0,0,0,0,0|3,0,0]=4 7 B17R2.193 OC1=COC(CSc2[n]ccc[n]2)=CC1=O Amb18384442 [1,0,0,0,0,0|2,1,0]=4 8 B17R2.193 OC1=COC(CSc2cccc[n]2)=CC1=O Amb24298724 [1,0,0,0,0,0|1,1,0]=3 9 B17R2.207 Brc1ccc(COc2ccc(I)cc2)cc1 Amb22275222 [1,0,0,0,0,0|2,1,0]=4 10 B17R2.207 Cc1ccc(COc2ccc(C)cc2)cc1 Amb22275270 [1,0,0,0,0,0|3,0,0]=4 11 B17R2.207 Cc1ccc(COc2ccc(Cl)cc2)cc1 Amb22275062 [1,0,0,0,0,0|2,0,0]=3 12 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)N Amb1121413 [1,0,0,0,0,0|3,0,0]=4 13 B17R2.207 Cc1ccc(cc1)OCc2ccc(Br)cc2 Amb24064692 [1,0,0,0,0,0|3,0,0]=4 14 B17R2.207 Cc1ccc(cc1)OCc2ccc(F)cc2 Amb22266317 [1,0,0,0,0,0|3,0,0]=4 15 B17R2.207 Clc1ccc(cc1)COc2ccc(cn2)Cl Amb10766358 [1,0,0,0,0,0|3,0,0]=4 16 B17R2.207 Fc1ccc(cc1)COc2ccc(cc2)Cl Amb1547339 [1,0,0,0,0,0|2,0,0]=3 17 B17R2.207 Fc1ccc(cc1)OCc2ccc(Br)cc2 Amb22275149 [1,0,0,0,0,0|2,1,0]=4 18 B17R2.207 Fc1ccc(cc1)OCc2ccc(Cl)cc2 Amb20679509 [1,0,0,0,0,0|2,1,0]=4 19 B17R2.207 Nc1ccc(CCc2ccc(Cl)cc2)cc1 Amb21954200 [1,0,0,0,0,0|3,0,0]=4 20 B17R2.207 Nc1ccc(CCc2ccc(Cl)cc2)cc1 Amb22011443 [1,0,0,0,0,0|3,0,0]=4 21 B17R2.207 Nc1ccc(cc1)COc2ccc(cc2)Br Amb2371348 [1,0,0,0,0,0|2,1,0]=4 22 B17R2.207 Nc1ccc(cc1)COc2ccc(cc2)Cl Amb1128477 [1,0,0,0,0,0|2,0,0]=3 23 B17R2.207 Nc1ccc(cc1)CSc2ccc(cc2)Cl Amb2414967 [1,0,0,0,0,0|2,1,0]=4 24 B17R2.207 Nc1ccc(cc1)OCc2ccc(cc2)Cl Amb1395344 [1,0,0,0,0,0|3,0,0]=4 25 B17R2.207 Nc1ccc(cc1)OCc2ccc(cc2)F Amb1119010 [1,0,0,0,0,0|3,0,0]=4 26 B17R2.207 Nc1cnc(nc1)COc2ccc(cc2)Cl Amb17486609 [1,0,0,0,0,0|3,0,0]=4 27 B17R2.207 Oc1ccc(cc1)CCc2ccc(cc2)Cl Amb2413167 [1,0,0,0,0,0|2,0,0]=3 28 B17R2.207 Oc1ccc(cc1)CCc2ccc(cc2)O Amb2445097 [1,0,0,0,0,0|3,0,0]=4 29 B17R2.215 Brc1cc(COc2ccc(I)cc2)ccc1 Amb22269805 [1,0,0,0,0,0|2,1,0]=4 30 B17R2.215 Cc1ccc(cc1)OCc2cc(Cl)ccc2 Amb22266319 [1,0,0,0,0,0|3,0,0]=4 31 B17R2.215 Clc1ccc(cc1)OCc2cccc(Cl)c2 Amb22285344 [1,0,0,0,0,0|2,0,0]=3 32 B17R2.215 Clc1ccc(cc1)SCc2cc(Br)ccc2 Amb22275199 [1,0,0,0,0,0|2,1,0]=4 33 B17R2.215 Fc1ccc(cc1)OCc2cc(Br)ccc2 Amb21130855 [1,0,0,0,0,0|2,1,0]=4 34 B17R2.215 Fc1ccc(cc1)OCc2cc(Cl)ccc2 Amb20679510 [1,0,0,0,0,0|2,1,0]=4 35 B17R2.215 Fc1ccc(cc1)OCc2cccc(F)c2 Amb22269759 [1,0,0,0,0,0|2,1,0]=4 36 B17R2.215 Nc1cc[n]c(COc2ccc(Cl)cc2)[n]1 Amb18071051 [1,0,0,0,0,0|3,0,0]=4 37 B17R2.215 Nc1ccc(cc1)OCc2cccc(c2)Br Amb1135336 [1,0,0,0,0,0|3,0,0]=4 38 B17R2.215 Nc1ccc(cc1)OCc2cccc(c2)C Amb1119835 [1,0,0,0,0,0|3,0,0]=4 39 B17R2.215 Nc1ccc(cc1)OCc2cccc(c2)F Amb1117692 [1,0,0,0,0,0|3,0,0]=4 40 B19R2.2679 COC1=CNC(CSc2ccc(F)cc2)=CC1=O Amb18384440 [0,1,0,0,0,0|1,2,0]=4 41 B19R2.2679 COC1=COC(CSc2ccc(Cl)cc2)=CC1=O Amb22471188 [0,1,0,0,0,0|0,1,0]=2 42 B19R2.2679 COc1ccc(CSc2ccc(Cl)cc2)cc1Br Amb23913221 [0,1,0,0,0,0|2,1,0]=4 43 B19R2.2679 COc1ccc(cc1C)COc2ccc(cc2)O Amb17257086 [0,1,0,0,0,0|3,0,0]=4 44 B19R2.2679 COc1ccc(cc1Cl)COc2ccc(cc2)O Amb17271370 [0,1,0,0,0,0|3,0,0]=4 45 B19R2.2847 O=Cc1cc(\N=N\c2ccc(cc2)Cl)ccc1O Amb10814780 [0,1,0,0,0,0|3,0,0]=4 46 B19R2.4993 COc1ccc(cc1)SCC2=CC(=O)C(O)=CO2 Amb21176437 [0,1,0,0,0,0|1,1,0]=3 47 B19R2.51035 CN1C=CC(COc2ccc(Cl)cc2Br)=CC1=O Amb22097941 [0,1,0,0,0,0|3,0,0]=4 48 B19R2.51035 Cc1ccc(SCC2=CC(=O)C(O)=CO2)c(C)c1 Amb21176301 [0,1,0,0,0,0|1,1,0]=3 49 B19R2.51035 NC1=CN=C(COc2ccc(Cl)cc2Cl)NC1=O Amb18531756 [0,1,0,0,0,0|3,0,0]=4 50 B19R2.149413 Cc1cc(ccc1C)SCC2=CC(=O)C(O)=CO2 Amb21176421 [0,1,0,0,0,0|1,1,0]=3 51 B19R2.149413 Oc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Br Amb23969338 [0,1,0,0,0,0|3,0,0]=4 52 B17R2.472 Cc1ccc(cc1)Oc2cc(N)c(O)cc2 Amb22486070 [0,0,0,0,1,0|3,0,0]=4 53 B17R2.472 Clc1ccc(cc1)Cc2ccc(c(c2)C)N Amb17142793 [0,0,0,0,1,0|3,0,0]=4 54 B17R2.472 Clc1ccc(cc1)Cc2ccc(c(c2)N)C Amb17142790 [0,0,0,0,1,0|3,0,0]=4 55 B17R2.472 Clc1ccc(cc1)Cc2ccc(c(c2)N)Cl Amb17161402 [0,0,0,0,1,0|3,0,0]=4 56 B17R2.472 Clc1ccc(cc1)Oc2ncc(c(c2)C)N Amb17214581 [0,0,0,0,1,0|3,0,0]=4 57 B17R2.472 NC1=CN=C(Cc2ccc(Cl)cc2)NC1=O Amb18022744 [0,0,0,0,1,0|3,0,0]=4 58 B17R2.472 Oc1ccc(cc1)Cc2ccc(c(c2)C)O Amb17595818 [0,0,0,0,1,0|3,0,0]=4 59 B17R2.472 Oc1ccc(cc1)Oc2cc(O)c(O)cc2 Amb24060572 [0,0,0,0,1,0|2,0,1]=4 60 B16R2.132 Brc1ccc(cc1)OCc2ccccc2 Amb2447239 [2,0,0,0,0,0|1,1,0]=4 61 B16R2.132 Clc1ccc([n]c1)OCc2ccccc2 Amb24082317 [2,0,0,0,0,0|2,0,0]=4 62 B16R2.132 Clc1ccc(c[n]1)OCc2ccccc2 Amb22498130 [2,0,0,0,0,0|2,0,0]=4 63 B16R2.132 Clc1ccc(cc1)NCc2ccccc2 Amb10789579 [2,0,0,0,0,0|2,0,0]=4 64 B16R2.132 Fc1ccc(cc1)OCc2cccc[n]2 Amb22454031 [2,0,0,0,0,0|1,1,0]=4 65 B16R2.132 Ic1ccc(COc2ccccc2)cc1 Amb25828841 [2,0,0,0,0,0|2,0,0]=4 66 B16R2.132 Ic1ccc(cc1)OCc2cccc[n]2 Amb20627464 [2,0,0,0,0,0|1,1,0]=4 67 B16R2.132 Nc1ccc(cc1)COc2ccccc2 Amb1136463 [2,0,0,0,0,0|2,0,0]=4 68 B16R2.132 Nc1ccc(cc1)OCc2cccc[n]2 Amb22279532 [2,0,0,0,0,0|2,0,0]=4 69 B16R2.132 Nc1ccc(cc1)OCc2ccccc2 Amb22489506 [2,0,0,0,0,0|2,0,0]=4 70 B16R2.132 Nc1ccc(cc1)OCc2ccccn2 Amb1099016 [2,0,0,0,0,0|2,0,0]=4 71 B16R2.132 Oc1ccc(CCc2ccccc2)cc1 Amb24066192 [2,0,0,0,0,0|2,0,0]=4 72 B16R2.132 Oc1ccc(cc1)CNc2ccccc2 Amb10609692 [2,0,0,0,0,0|2,0,0]=4 73 B16R2.132 Oc1ccc(cc1)OCc2ccccc2 Amb1228378 [2,0,0,0,0,0|2,0,0]=4 74 B16R2.132 [NH3+]c1ccc(cc1)OCc2ccccc2 Amb24113829 [2,0,0,0,0,0|2,0,0]=4 75 B16R2.252 Clc1cc(COc2ccccc2)[n]cc1 Amb24392355 [2,0,0,0,0,0|2,0,0]=4 76 B16R2.252 Clc1cc(COc2ccccc2)ccc1 Amb22285366 [2,0,0,0,0,0|2,0,0]=4 77 B16R2.252 Oc1cc(COc2ccccc2)ccc1 Amb23443322 [2,0,0,0,0,0|1,0,1]=4 78 B18R2.2562 COC1=COC(CSc2ccccc2)=CC1=O Amb22471189 [1,1,0,0,0,0|0,1,0]=3 79 B18R2.2562 COc1ccc(COc2ccccc2)cc1F Amb22275873 [1,1,0,0,0,0|2,0,0]=4 80 B18R2.39765 OC1=COC(CSc2ccccc2Br)=CC1=O Amb21176532 [1,1,0,0,0,0|0,1,0]=3 81 B18R2.39765 OC1=COC(CSc2ccccc2Cl)=CC1=O Amb21176405 [1,1,0,0,0,0|0,1,0]=3 82 B18R2.39765 OC1=COC(CSc2ccccc2F)=CC1=O Amb19339977 [1,1,0,0,0,0|0,1,0]=3 83 B18R2.3762 Oc1ccc(CC(=O)c2ccc(Cl)cc2)cc1 Amb22455037 [1,1,0,0,0,0|2,0,0]=4 84 B18R2.9252 Clc1ccc(cc1)OCc2ccc(Cl)cc2Br Amb22480845 [1,1,0,0,0,0|2,0,0]=4 85 B18R2.9252 Fc1ccc(COc2ccc(Cl)cc2)c(Cl)c1 Amb22275855 [1,1,0,0,0,0|2,0,0]=4 86 B18R2.1492 COc1cccc(COc2ccc(Cl)cc2)c1 Amb22275061 [1,1,0,0,0,0|1,0,1]=4 87 B18R2.9254 Clc1ccc(cc1)OCc2cc(Cl)ccc2Br Amb22472544 [1,1,0,0,0,0|2,0,0]=4 88 B18R2.65901 Cc1cc(Cl)ccc1OCc2cc(Br)ccc2 Amb22285303 [1,1,0,0,0,0|2,0,0]=4 89 B18R2.65901 Clc1ccc(OCc2cc(Br)ccc2)c(Cl)c1 Amb22285314 [1,1,0,0,0,0|2,0,0]=4 90 B18R2.686529 CC1=CC(=O)C=C(\C=C\c2ccc(Cl)cc2)O1 Amb18048878 [1,1,0,0,0,0|1,0,1]=4 91 B18R2.686529 NC1=CC(=O)NC(COc2ccc(Cl)cc2)=N1 Amb20413213 [1,1,0,0,0,0|2,0,0]=4 92 B18R2.2571 COc1ccc(cc1N)Cc2ccc(cc2)Cl Amb17160259 [0,1,0,0,1,0|2,0,0]=4 93 B18R2.2674 OCc1cc(ccc1O)Cc2ccc(cc2)Cl Amb10788636 [0,1,0,0,1,0|1,0,1]=4 94 B20R2.235939 CN(Cc1c[n]c(Cl)cc1)CC2=CC(=O)C(O)=CO2 Amb22152680 [0,1,0,0,0,1|2,0,0]=4 95 B20R2.5590 COC1=COC(COc2ccc(cc2)SC)=CC1=O Amb22524538 [0,2,0,0,0,0|1,0,0]=3 96 B20R2.16007 OC(=O)C1=CN=C(COc2ccc(Cl)cc2)NC1=O Amb18544322 [0,2,0,0,0,0|2,0,0]=4 97 B20R2.2387056 COc1ccc(cc1C)COc2ccc(cc2N)Cl Amb17422269 [0,2,0,0,0,0|2,0,0]=4 98 B20R2.15384 [O-][N+](=O)c1ccc(cc1)OCC2=CC(=O)C(O)=CO2 Amb22450583 [0,2,0,0,0,0|1,0,0]=3 99 B18R3.6310 O=c1cc2CNc3c(n2cc1O)cccc3 Amb10976665 [1,0,0,1,0,0|2,0,0]=4 100 B18R3.6310 OC1=CN2C(CNc3ccccc23)=CC1=O Amb20413981 [1,0,0,1,0,0|2,0,0]=4 101 B16R2.124 Cc1cc(Cc2ccccc2)ccc1O Amb24065834 [1,0,0,0,1,0|2,0,0]=4 102 B16R2.124 Nc1cc(Cc2ccccc2)ccc1O Amb18285718 [1,0,0,0,1,0|2,0,0]=4 103 B16R2.124 Nc1cc(ccc1O)Oc2ccccc2 Amb18555885 [1,0,0,0,1,0|2,0,0]=4 104 B16R2.124 Oc1ccc(Cc2ccccc2)cc1Cl Amb24065833 [1,0,0,0,1,0|2,0,0]=4 105 B16R2.124 Oc1ccc(Cc2ccccc2)cc1O Amb24060583 [1,0,0,0,1,0|1,0,1]=4 106 B16R2.33 Cc1ccc(cc1)Oc2ccc(cc2)O Amb1106395 [1,0,0,0,1,0|2,0,0]=4 107 B16R2.33 Clc1ccc(Cc2ccc(Cl)cc2)cc1 Amb22369424 [1,0,0,0,1,0|2,0,0]=4 108 B16R2.33 Clc1ccc(cc1)Cc2ccc(nn2)O Amb2433419 [1,0,0,0,1,0|2,0,0]=4 109 B16R2.33 Clc1ccc(cc1)Oc2ccc(Br)c[n]2 Amb24113198 [1,0,0,0,1,0|2,0,0]=4 110 B16R2.33 Clc1ccc(cc1)Oc2ccc(Br)cc2 Amb24064683 [1,0,0,0,1,0|2,0,0]=4 111 B16R2.33 Clc1ccc(cc1)Oc2ccc(cc2)I Amb10068746 [1,0,0,0,1,0|2,0,0]=4 112 B16R2.33 Clc1ccc(cc1)Oc2ccc(cn2)N Amb1140808 [1,0,0,0,1,0|2,0,0]=4 113 B16R2.33 Nc1ccc(cc1)Cc2ccc(cc2)Cl Amb17101870 [1,0,0,0,1,0|2,0,0]=4 114 B16R2.33 Nc1ccc(cc1)Oc2ccc(cc2)O Amb10576282 [1,0,0,0,1,0|2,0,0]=4 115 B16R2.33 Oc1ccc(Cc2ccc(O)cc2)cc1 Amb22338183 [1,0,0,0,1,0|2,0,0]=4 116 B16R2.33 Oc1ccc(cc1)Nc2ccc(Cl)cc2 Amb18268955 [1,0,0,0,1,0|2,0,0]=4 117 B16R2.33 Oc1ccc(cc1)Oc2ccc(cc2)O Amb2226950 [1,0,0,0,1,0|2,0,0]=4 118 B16R2.33 Sc1ccc(cc1)Oc2ccc(Cl)cc2 Amb19930120 [1,0,0,0,1,0|1,1,0]=4 119 B16R2.137 Cc1cc(COc2ccc(Cl)cc2)o[n]1 Amb20777340 [1,0,0,0,1,0|2,0,0]=4 120 B16R2.137 Cc1ccc(cc1)OCc2ccc(Br)o2 Amb25274907 [1,0,0,0,1,0|2,0,0]=4 121 B16R2.137 Clc1ccc(cc1)NCc2ccc(o2)Br Amb10816176 [1,0,0,0,1,0|2,0,0]=4 122 B16R2.137 Clc1ccc(cc1)OCc2cc(Br)[n]o2 Amb23449490 [1,0,0,0,1,0|2,0,0]=4 123 B16R2.137 Clc1ccc(cc1)OCc2ccc(Br)[s]2 Amb25703464 [1,0,0,0,1,0|1,1,0]=4 124 B16R2.137 Clc1ccc(cc1)OCc2ccc(Br)o2 Amb24435197 [1,0,0,0,1,0|1,0,0]=3 125 B16R2.131 Clc1ccc(cc1)Cc2cccc(c2)N Amb17141049 [1,0,0,0,1,0|2,0,0]=4 126 B16R2.131 Clc1ccc(cc1)Oc2cccc(c2)Cl Amb15692410 [1,0,0,0,1,0|2,0,0]=4 127 B16R2.2864 Clc1ccc(cc1)c2ccc(c(c2)Cl)O Amb17137561 [0,0,0,0,2,0|2,0,0]=4 128 B18R2.269 O=C1C=C(CCOc2ccc(Cl)cc2)C=CN1 Amb22031643 [1,0,0,0,0,1|2,0,0]=4