0 B18R2.9259 Cc1ccc(SCC2=CC(=O)C(O)=CO2)cc1 Amb21176408 [0,0,0,0,0,0|1,0,0]=1 1 B18R2.9259 NC1=CN=C(COc2ccc(Cl)cc2)NC1=O Amb18531754 [0,0,0,0,0,0|3,1,0]=4 2 B18R2.9259 Nc1ccc(SCc2ccc(Cl)c(Cl)c2)cc1 Amb6384525 [0,0,0,0,0,0|4,0,0]=4 3 B18R2.9259 O=C1C=C(CSc2ccc(Cl)cc2)OC=C1O Amb21176402 [0,0,0,0,0,0|0,0,0]=0 4 B18R2.9259 O=C1C=C(CSc2ccc(F)cc2)OC=C1O Amb21176422 [0,0,0,0,0,0|0,1,0]=1 5 B17R2.193 O=C1C=C(CSc2ncccn2)OC=C1O Amb18384442 [1,0,0,0,0,0|2,0,0]=3 6 B17R2.193 Oc1ccc(CSc2ccncc2)cc1O Amb32416603 [1,0,0,0,0,0|2,0,1]=4 7 B17R2.207 Cc1ccc(CNc2ccc(Cl)cc2)cc1 Amb3725042 [1,0,0,0,0,0|3,0,0]=4 8 B17R2.207 Cc1ccc(CSc2ccc(N)cc2)cc1 Amb8930371 [1,0,0,0,0,0|3,0,0]=4 9 B17R2.207 Cc1ccc(NCc2ccc(O)cc2)cc1 Amb3547087 [1,0,0,0,0,0|3,0,0]=4 10 B17R2.207 Clc1ccc(CCc2ccc(Cl)cc2)cc1 Amb2752768 [1,0,0,0,0,0|3,0,0]=4 11 B17R2.207 Clc1ccc(OCc2ccc(Br)cc2)cc1 Amb4853935 [1,0,0,0,0,0|2,1,0]=4 12 B17R2.207 Clc1ccc(SSc2ccc(Cl)cc2)cc1 Amb1153259 [1,0,0,0,0,0|3,0,0]=4 13 B17R2.207 Fc1ccc(COc2ccc(Cl)cc2)cc1 Amb1547339 [1,0,0,0,0,0|2,1,0]=4 14 B17R2.207 Nc1ccc(CCc2ccc(O)cc2)cc1 Amb6298293 [1,0,0,0,0,0|3,0,0]=4 15 B17R2.207 Nc1ccc(COc2ccc(Cl)cc2)cc1 Amb1128477 [1,0,0,0,0,0|2,1,0]=4 16 B17R2.207 Nc1ccc(CSc2ccc(Br)cc2)cc1 Amb8996693 [1,0,0,0,0,0|2,1,0]=4 17 B17R2.207 Nc1ccc(CSc2ccc(Cl)cc2)cc1 Amb2414967 [1,0,0,0,0,0|2,0,0]=3 18 B17R2.207 Nc1ccc(CSc2ccc(F)cc2)cc1 Amb2414977 [1,0,0,0,0,0|2,1,0]=4 19 B17R2.207 Nc1ccc(SCc2ccc(Cl)cc2)cc1 Amb8930431 [1,0,0,0,0,0|3,0,0]=4 20 B17R2.207 Nc1ccc(SCc2ccc(F)cc2)cc1 Amb2719883 [1,0,0,0,0,0|3,0,0]=4 21 B17R2.207 Nc1cnc(CSc2ccc(Cl)cc2)nc1 Amb17486581 [1,0,0,0,0,0|3,0,0]=4 22 B17R2.207 Oc1ccc(CCc2ccc(Cl)cc2)cc1 Amb2413167 [1,0,0,0,0,0|2,0,0]=3 23 B17R2.207 Oc1ccc(CCc2ccc(O)cc2)cc1 Amb2445097 [1,0,0,0,0,0|3,0,0]=4 24 B17R2.207 Oc1ccc(CNc2ccc(Br)cc2)cc1 Amb4032194 [1,0,0,0,0,0|2,1,0]=4 25 B17R2.207 Oc1ccc(CNc2ccc(Cl)cc2)cc1 Amb4020906 [1,0,0,0,0,0|2,0,0]=3 26 B17R2.207 Oc1ccc(CNc2ccc(F)cc2)cc1 Amb4018606 [1,0,0,0,0,0|2,1,0]=4 27 B17R2.207 Oc1ccc(CNc2ccc(O)cc2)cc1 Amb6867964 [1,0,0,0,0,0|3,0,0]=4 28 B17R2.207 Oc1ccc(NCc2ccc(Cl)cc2)cc1 Amb6857103 [1,0,0,0,0,0|3,0,0]=4 29 B17R2.207 Oc1ccc(SSc2ccc(O)cc2)cc1 Amb583424 [1,0,0,0,0,0|3,0,0]=4 30 B17R2.215 Cc1cccc(CNc2ccc(Cl)cc2)c1 Amb4313248 [1,0,0,0,0,0|3,0,0]=4 31 B17R2.215 Cc1cccc(CSc2ccc(N)cc2)c1 Amb8930369 [1,0,0,0,0,0|3,0,0]=4 32 B17R2.215 Clc1ccc(OCc2cccc(Br)c2)cc1 Amb30588926 [1,0,0,0,0,0|2,1,0]=4 33 B17R2.215 Fc1cccc(CNc2ccc(Cl)cc2)c1 Amb6695914 [1,0,0,0,0,0|3,0,0]=4 34 B17R2.215 Nc1ccc(SCc2cccc(Cl)c2)cc1 Amb8930389 [1,0,0,0,0,0|3,0,0]=4 35 B17R2.215 Nc1ccc(SCc2cccc(F)c2)cc1 Amb8930281 [1,0,0,0,0,0|3,0,0]=4 36 B17R2.215 Nc1cccc(COc2ccc(Cl)cc2)c1 Amb6243774 [1,0,0,0,0,0|2,1,0]=4 37 B17R2.215 Oc1cccc(CNc2ccc(Cl)cc2)c1 Amb6695979 [1,0,0,0,0,0|2,0,1]=4 38 B19R2.2679 COC1=CNC(CSc2ccc(F)cc2)=CC1=O Amb18384440 [0,1,0,0,0,0|1,1,0]=3 39 B19R2.2679 COC1=COC(CSc2ccc(C)cc2)=CC1=O Amb28487748 [0,1,0,0,0,0|1,0,0]=2 40 B19R2.2679 COC1=COC(CSc2ccc(Cl)cc2)=CC1=O Amb22471188 [0,1,0,0,0,0|0,0,0]=1 41 B19R2.2679 COC1=COC(CSc2ccc(F)cc2)=CC1=O Amb28487922 [0,1,0,0,0,0|0,1,0]=2 42 B19R2.2679 COc1ccc(CNc2ccc(Cl)cc2)cc1O Amb6695919 [0,1,0,0,0,0|2,0,1]=4 43 B19R2.2847 COc1cc(CNc2ccc(Cl)cc2)ccc1O Amb6695909 [0,1,0,0,0,0|2,0,1]=4 44 B19R2.2847 O=Cc1cc(\N=N\c2ccc(Cl)cc2)ccc1O Amb10814780 [0,1,0,0,0,0|3,0,0]=4 45 B19R2.149413 CC1=CN=C(SCC2=CC(=O)C(O)=CO2)NC1=O Amb28482808 [0,1,0,0,0,0|3,0,0]=4 46 B17R2.472 Cc1cc(Cc2ccc(Cl)cc2)ccc1N Amb17142793 [0,0,0,0,1,0|3,0,0]=4 47 B17R2.472 Cc1cc(Cc2ccc(O)cc2)ccc1O Amb17595818 [0,0,0,0,1,0|3,0,0]=4 48 B17R2.472 Cc1ccc(Cc2ccc(Cl)cc2)cc1N Amb17142790 [0,0,0,0,1,0|3,0,0]=4 49 B17R2.472 NC1=CN=C(Cc2ccc(Cl)cc2)NC1=O Amb18022744 [0,0,0,0,1,0|3,0,0]=4 50 B17R2.472 Nc1cc(Cc2ccc(Cl)cc2)ccc1Cl Amb17161402 [0,0,0,0,1,0|3,0,0]=4 51 B16R2.132 Brc1ccc(CSc2ccccc2)cc1 Amb22482416 [2,0,0,0,0,0|2,0,0]=4 52 B16R2.132 Brc1ccc(CSc2ccccc2)nc1 Amb27475623 [2,0,0,0,0,0|2,0,0]=4 53 B16R2.132 Brc1ccc(SCc2ccccc2)cc1 Amb4012831 [2,0,0,0,0,0|1,1,0]=4 54 B16R2.132 Clc1ccc(CSc2ccccc2)cc1 Amb2610191 [2,0,0,0,0,0|2,0,0]=4 55 B16R2.132 Clc1ccc(NCc2ccccc2)cc1 Amb3765690 [2,0,0,0,0,0|2,0,0]=4 56 B16R2.132 Clc1ccc(NCc2ccccn2)cc1 Amb6695987 [2,0,0,0,0,0|2,0,0]=4 57 B16R2.132 Clc1ccc(OCc2ccccc2)cc1 Amb2684651 [2,0,0,0,0,0|1,1,0]=4 58 B16R2.132 Nc1ccc(CSc2ccccc2)cc1 Amb2608452 [2,0,0,0,0,0|2,0,0]=4 59 B16R2.132 Nc1ccc(SCc2ccccc2)cc1 Amb6675929 [2,0,0,0,0,0|2,0,0]=4 60 B16R2.132 Oc1ccc(CNc2ccccc2)cc1 Amb10609692 [2,0,0,0,0,0|2,0,0]=4 61 B16R2.132 Oc1ccc(CNc2ccccc2)cc1 Amb3544585 [2,0,0,0,0,0|2,0,0]=4 62 B16R2.132 Oc1ccc(SCc2ccccc2)cc1 Amb30594452 [2,0,0,0,0,0|2,0,0]=4 63 B16R2.252 Brc1cccc(CSc2ccccc2)c1 Amb5221073 [2,0,0,0,0,0|2,0,0]=4 64 B18R2.65908 Cc1ccnc(SCC2=CC(=O)C(O)=CO2)n1 Amb24120589 [1,1,0,0,0,0|2,0,0]=4 65 B18R2.52 COc1ccc(CNc2ccc(Cl)cc2)cc1 Amb3693154 [1,1,0,0,0,0|2,0,0]=4 66 B18R2.9252 Cc1cc(Cl)ccc1NCc2ccc(O)cc2 Amb6722540 [1,1,0,0,0,0|2,0,0]=4 67 B18R2.9252 Oc1ccc(CNc2ccc(Cl)cc2Cl)cc1 Amb6689953 [1,1,0,0,0,0|2,0,0]=4 68 B18R2.9254 Fc1ccc(F)c(CSc2ccc(Cl)cc2)c1 Amb22232540 [1,1,0,0,0,0|2,0,0]=4 69 B18R2.686529 CC1=CC(=O)C=C(\C=C\c2ccc(Cl)cc2)O1 Amb18048878 [1,1,0,0,0,0|1,0,1]=4 70 B18R2.686529 Fc1cc(F)cc(CSc2ccc(Cl)cc2)c1 Amb2782248 [1,1,0,0,0,0|2,0,0]=4 71 B18R2.686529 O=C1C=C(CSc2ccc(Cl)cc2)N=C(S)N1 Amb19650608 [1,1,0,0,0,0|2,0,0]=4 72 B18R2.2571 COc1ccc(Cc2ccc(Cl)cc2)cc1N Amb17160259 [0,1,0,0,1,0|2,0,0]=4 73 B20R2.16007 O=C(O)C1=CN=C(CSc2ccc(Cl)cc2)NC1=O Amb18544311 [0,2,0,0,0,0|2,0,0]=4 74 B18R3.6310 O=C1C=C2CNc3ccccc3N2C=C1O Amb20413981 [1,0,0,1,0,0|2,0,0]=4 75 B16R2.124 Cc1cc(Cc2ccccc2)ccc1O Amb24065834 [1,0,0,0,1,0|2,0,0]=4 76 B16R2.124 Nc1cc(Cc2ccccc2)ccc1O Amb33552377 [1,0,0,0,1,0|2,0,0]=4 77 B16R2.124 Oc1ccc(Cc2ccccc2)cc1Cl Amb24065833 [1,0,0,0,1,0|2,0,0]=4 78 B16R2.124 Oc1ccc(Cc2ccccc2)cc1O Amb24060583 [1,0,0,0,1,0|1,0,1]=4 79 B16R2.33 Clc1ccc(Sc2ccc(Cl)cc2)cc1 Amb6871012 [1,0,0,0,1,0|2,0,0]=4 80 B16R2.33 Clc1ccc(Sc2ccc(Cl)cn2)cc1 Amb2612817 [1,0,0,0,1,0|2,0,0]=4 81 B16R2.33 Nc1ccc(Cc2ccc(Cl)cc2)cc1 Amb17101870 [1,0,0,0,1,0|2,0,0]=4 82 B16R2.33 Nc1ccc(Sc2ccc(Cl)cc2)cc1 Amb17347628 [1,0,0,0,1,0|2,0,0]=4 83 B16R2.33 Nc1ccc(Sc2ccc(Cl)cc2)nc1 Amb2730182 [1,0,0,0,1,0|2,0,0]=4 84 B16R2.33 Oc1ccc(Cc2ccc(O)cc2)cc1 Amb2710982 [1,0,0,0,1,0|2,0,0]=4 85 B16R2.33 Oc1ccc(Nc2ccc(Cl)cc2)cc1 Amb18268955 [1,0,0,0,1,0|2,0,0]=4 86 B16R2.33 Oc1ccc(Oc2ccc(Cl)cc2)cc1 Amb7094545 [1,0,0,0,1,0|1,1,0]=4 87 B16R2.33 Oc1ccc(Sc2ccc(O)cc2)cc1 Amb1016532 [1,0,0,0,1,0|2,0,0]=4 88 B16R2.137 Cc1ccc(CNc2ccc(Cl)cc2)o1 Amb6695927 [1,0,0,0,1,0|2,0,0]=4 89 B16R2.137 Clc1ccc(SCc2ccc(Br)o2)cc1 Amb27843177 [1,0,0,0,1,0|1,0,0]=3 90 B16R2.137 Clc1ccc(SCc2coc(Br)c2)cc1 Amb27854541 [1,0,0,0,1,0|2,0,0]=4 91 B16R2.137 Fc1ccc(SCc2ccc(Br)o2)cc1 Amb27198849 [1,0,0,0,1,0|1,1,0]=4 92 B16R2.137 Nc1ccc(SCc2ccc(Cl)o2)cc1 Amb32788910 [1,0,0,0,1,0|2,0,0]=4 93 B16R2.131 Nc1cccc(Cc2ccc(Cl)cc2)c1 Amb17141049 [1,0,0,0,1,0|2,0,0]=4 94 B16R2.131 Nc1cccc(Sc2ccc(Cl)cc2)c1 Amb20623589 [1,0,0,0,1,0|2,0,0]=4 95 B16R2.1067 Cc1ccoc1CSc2ccc(N)cc2 Amb32987730 [1,0,0,0,1,0|2,0,0]=4 96 B16R2.2864 Cc1cc(-c2ccc(Cl)cc2)ccc1O Amb34000002 [0,0,0,0,2,0|2,0,0]=4 97 B16R2.2864 Oc1ccc(-c2ccc(Cl)cc2)cc1Cl Amb17137561 [0,0,0,0,2,0|2,0,0]=4 98 B16R2.2864 Oc1ccc(-c2ccc(Cl)cc2)cc1F Amb34001932 [0,0,0,0,2,0|2,0,0]=4 99 B18R2.274 Nc1ccc(CSCc2ccc(Cl)cc2)cc1 Amb17497789 [1,0,0,0,0,1|2,0,0]=4 100 B18R2.274 Oc1ccc(CNCc2ccc(Cl)cc2)cc1 Amb6737972 [1,0,0,0,0,1|2,0,0]=4