0 B18R2.9259 CN1C=CC(CSc2ccc(F)cc2)=CC1=O Amb19437575 [0,0,0,0,0,0|3,1,0]=4 1 B18R2.9259 CN1C=CC(CSc2ccc(O)cc2)=CC1=O Amb19442985 [0,0,0,0,0,0|4,0,0]=4 2 B18R2.9259 Cc1ccc(cc1)SCC2=CC(=O)C(O)=CO2 Amb21176408 [0,0,0,0,0,0|1,0,0]=1 3 B18R2.9259 NC1=CN=C(COc2ccc(Cl)cc2)NC1=O Amb18531754 [0,0,0,0,0,0|3,1,0]=4 4 B18R2.9259 OC1=COC(CSc2ccc(Br)cc2)=CC1=O Amb21176416 [0,0,0,0,0,0|0,1,0]=1 5 B18R2.9259 OC1=COC(CSc2ccc(Cl)cc2)=CC1=O Amb21176402 [0,0,0,0,0,0|0,0,0]=0 6 B18R2.9259 OC1=COC(CSc2ccc(F)cc2)=CC1=O Amb21176422 [0,0,0,0,0,0|0,1,0]=1 7 B17R2.193 OC1=COC(CSc2[n]ccc[n]2)=CC1=O Amb18384442 [1,0,0,0,0,0|2,0,0]=3 8 B17R2.193 OC1=COC(CSc2cccc[n]2)=CC1=O Amb24298724 [1,0,0,0,0,0|1,0,0]=2 9 B17R2.207 *c1ccc(cc1)CSc2ccc(cc2)O Amb10075597 [1,0,0,0,0,0|3,0,0]=4 10 B17R2.207 Cc1ccc(COc2ccc(Cl)cc2)cc1 Amb22275062 [1,0,0,0,0,0|2,1,0]=4 11 B17R2.207 Clc1ccc(cc1)SSc2ccc(cc2)Cl Amb1153259 [1,0,0,0,0,0|3,0,0]=4 12 B17R2.207 Fc1ccc(cc1)COc2ccc(cc2)Cl Amb1547339 [1,0,0,0,0,0|2,1,0]=4 13 B17R2.207 Nc1ccc(CCc2ccc(Cl)cc2)cc1 Amb21954200 [1,0,0,0,0,0|3,0,0]=4 14 B17R2.207 Nc1ccc(CCc2ccc(Cl)cc2)cc1 Amb22011443 [1,0,0,0,0,0|3,0,0]=4 15 B17R2.207 Nc1ccc(cc1)COc2ccc(cc2)Cl Amb1128477 [1,0,0,0,0,0|2,1,0]=4 16 B17R2.207 Nc1ccc(cc1)CSc2ccc(cc2)Cl Amb2414967 [1,0,0,0,0,0|2,0,0]=3 17 B17R2.207 Nc1ccc(cc1)CSc2ccc(cc2)F Amb2414977 [1,0,0,0,0,0|2,1,0]=4 18 B17R2.207 Nc1cnc(nc1)CSc2ccc(cc2)Cl Amb17486581 [1,0,0,0,0,0|3,0,0]=4 19 B17R2.207 Oc1ccc(cc1)CCc2ccc(cc2)Cl Amb2413167 [1,0,0,0,0,0|2,0,0]=3 20 B17R2.207 Oc1ccc(cc1)CCc2ccc(cc2)O Amb2445097 [1,0,0,0,0,0|3,0,0]=4 21 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)Cl Amb1833858 [1,0,0,0,0,0|3,0,0]=4 22 B17R2.215 Clc1ccc(cc1)OCc2cccc(Cl)c2 Amb22285344 [1,0,0,0,0,0|2,1,0]=4 23 B17R2.215 Clc1ccc(cc1)SCc2cc(Br)ccc2 Amb22275199 [1,0,0,0,0,0|2,0,0]=3 24 B19R2.2679 COC1=CNC(CSc2ccc(F)cc2)=CC1=O Amb18384440 [0,1,0,0,0,0|1,1,0]=3 25 B19R2.2679 COC1=COC(CSc2ccc(Cl)cc2)=CC1=O Amb22471188 [0,1,0,0,0,0|0,0,0]=1 26 B19R2.2679 COc1ccc(CSc2ccc(Cl)cc2)cc1Br Amb23913221 [0,1,0,0,0,0|2,0,0]=3 27 B19R2.2847 O=Cc1cc(\N=N\c2ccc(cc2)Cl)ccc1O Amb10814780 [0,1,0,0,0,0|3,0,0]=4 28 B19R2.4993 COc1ccc(cc1)SCC2=CC(=O)C(O)=CO2 Amb21176437 [0,1,0,0,0,0|1,0,0]=2 29 B19R2.51035 Cc1ccc(SCC2=CC(=O)C(O)=CO2)c(C)c1 Amb21176301 [0,1,0,0,0,0|1,0,0]=2 30 B19R2.149413 Cc1cc(ccc1C)SCC2=CC(=O)C(O)=CO2 Amb21176421 [0,1,0,0,0,0|1,0,0]=2 31 B19R2.149413 Oc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Br Amb23969338 [0,1,0,0,0,0|3,0,0]=4 32 B17R2.472 Clc1ccc(cc1)Cc2ccc(c(c2)C)N Amb17142793 [0,0,0,0,1,0|3,0,0]=4 33 B17R2.472 Clc1ccc(cc1)Cc2ccc(c(c2)N)C Amb17142790 [0,0,0,0,1,0|3,0,0]=4 34 B17R2.472 Clc1ccc(cc1)Cc2ccc(c(c2)N)Cl Amb17161402 [0,0,0,0,1,0|3,0,0]=4 35 B17R2.472 NC1=CN=C(Cc2ccc(Cl)cc2)NC1=O Amb18022744 [0,0,0,0,1,0|3,0,0]=4 36 B17R2.472 Oc1ccc(cc1)Cc2ccc(c(c2)C)O Amb17595818 [0,0,0,0,1,0|3,0,0]=4 37 B17R2.495 Clc1ccc(cc1)SCc2nn(c(c2)O)C Amb2421883 [0,0,0,0,1,0|3,0,0]=4 38 B17R2.18661 Cc1c[s]c([n]1)SCC2=CC(=O)C(O)=CO2 Amb21623961 [0,0,0,0,1,0|3,0,0]=4 39 B16R2.132 Brc1ccc(CSc2ccccc2)cc1 Amb22482416 [2,0,0,0,0,0|2,0,0]=4 40 B16R2.132 Brc1ccc(cc1)SCc2cccc[n]2 Amb20920761 [2,0,0,0,0,0|1,1,0]=4 41 B16R2.132 Clc1ccc(c[n]1)SCc2ccccc2 Amb19944637 [2,0,0,0,0,0|2,0,0]=4 42 B16R2.132 Clc1ccc(cc1)NCc2ccccc2 Amb10789579 [2,0,0,0,0,0|2,0,0]=4 43 B16R2.132 Oc1ccc(CCc2ccccc2)cc1 Amb24066192 [2,0,0,0,0,0|2,0,0]=4 44 B16R2.132 Oc1ccc(cc1)CNc2ccccc2 Amb10609692 [2,0,0,0,0,0|2,0,0]=4 45 B16R2.132 Oc1ccc(cc1)SCc2ccccc2 Amb22353244 [2,0,0,0,0,0|2,0,0]=4 46 B18R2.2562 COC1=COC(CSc2ccccc2)=CC1=O Amb22471189 [1,1,0,0,0,0|0,0,0]=2 47 B18R2.39765 OC1=COC(CSc2ccccc2Br)=CC1=O Amb21176532 [1,1,0,0,0,0|0,0,0]=2 48 B18R2.39765 OC1=COC(CSc2ccccc2Cl)=CC1=O Amb21176405 [1,1,0,0,0,0|0,0,0]=2 49 B18R2.39765 OC1=COC(CSc2ccccc2F)=CC1=O Amb19339977 [1,1,0,0,0,0|0,0,0]=2 50 B18R2.65908 Cc1cc[n]c([n]1)SCC2=CC(=O)C(O)=CO2 Amb24120589 [1,1,0,0,0,0|2,0,0]=4 51 B18R2.52 COc1ccc(CSc2ccc(Br)cc2)cc1 Amb22449264 [1,1,0,0,0,0|1,1,0]=4 52 B18R2.3762 Oc1ccc(CC(=O)c2ccc(Cl)cc2)cc1 Amb22455037 [1,1,0,0,0,0|2,0,0]=4 53 B18R2.9252 Nc1cc(Br)c(CSc2ccc(Cl)cc2)cc1 Amb23919108 [1,1,0,0,0,0|2,0,0]=4 54 B18R2.9254 Fc1cc(CSc2ccc(Cl)cc2)c(F)cc1 Amb22232540 [1,1,0,0,0,0|2,0,0]=4 55 B18R2.686529 CC1=CC(=O)C=C(\C=C\c2ccc(Cl)cc2)O1 Amb18048878 [1,1,0,0,0,0|1,0,1]=4 56 B18R2.686529 O=C1C=C(CSc2ccc(Cl)cc2)N=C(S)N1 Amb19650608 [1,1,0,0,0,0|2,0,0]=4 57 B18R2.686529 O=C1NC(CSc2ccc(Cl)cc2)=CC(=O)N1 Amb19665235 [1,1,0,0,0,0|2,0,0]=4 58 B18R2.2571 COc1ccc(cc1N)Cc2ccc(cc2)Cl Amb17160259 [0,1,0,0,1,0|2,0,0]=4 59 B18R2.2571 Cc1cc(ccc1CO)Sc2ccc(Cl)cc2 Amb23974543 [0,1,0,0,1,0|2,0,0]=4 60 B18R2.2674 OCc1cc(ccc1O)Cc2ccc(cc2)Cl Amb10788636 [0,1,0,0,1,0|1,0,1]=4 61 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 62 B20R2.5590 COC1=COC(COc2ccc(cc2)SC)=CC1=O Amb22524538 [0,2,0,0,0,0|1,1,0]=4 63 B20R2.16007 OC(=O)C1=CN=C(CSc2ccc(Cl)cc2)NC1=O Amb18544311 [0,2,0,0,0,0|2,0,0]=4 64 B20R2.15384 [O-][N+](=O)c1ccc(cc1)OCC2=CC(=O)C(O)=CO2 Amb22450583 [0,2,0,0,0,0|1,1,0]=4 65 B18R3.6310 O=c1cc2CNc3c(n2cc1O)cccc3 Amb10976665 [1,0,0,1,0,0|2,0,0]=4 66 B18R3.6310 OC1=CN2C(CNc3ccccc23)=CC1=O Amb20413981 [1,0,0,1,0,0|2,0,0]=4 67 B16R2.124 Cc1cc(Cc2ccccc2)ccc1O Amb24065834 [1,0,0,0,1,0|2,0,0]=4 68 B16R2.124 Nc1cc(Cc2ccccc2)ccc1O Amb18285718 [1,0,0,0,1,0|2,0,0]=4 69 B16R2.124 Oc1ccc(Cc2ccccc2)cc1Cl Amb24065833 [1,0,0,0,1,0|2,0,0]=4 70 B16R2.124 Oc1ccc(Cc2ccccc2)cc1O Amb24060583 [1,0,0,0,1,0|1,0,1]=4 71 B16R2.33 Cc1ccc(cc1)Sc2ccc(Cl)cc2 Amb22439010 [1,0,0,0,1,0|2,0,0]=4 72 B16R2.33 Clc1ccc(Cc2ccc(Cl)cc2)cc1 Amb22369424 [1,0,0,0,1,0|2,0,0]=4 73 B16R2.33 Clc1ccc(cc1)Cc2ccc(nn2)O Amb2433419 [1,0,0,0,1,0|2,0,0]=4 74 B16R2.33 Clc1ccc(cc1)Sc2ccc(Br)cc2 Amb23440352 [1,0,0,0,1,0|2,0,0]=4 75 B16R2.33 Nc1ccc(cc1)Cc2ccc(cc2)Cl Amb17101870 [1,0,0,0,1,0|2,0,0]=4 76 B16R2.33 Nc1ccc(cc1)Sc2ccc(cc2)Cl Amb17347628 [1,0,0,0,1,0|2,0,0]=4 77 B16R2.33 Oc1ccc(Cc2ccc(O)cc2)cc1 Amb22338183 [1,0,0,0,1,0|2,0,0]=4 78 B16R2.33 Oc1ccc(cc1)Nc2ccc(Cl)cc2 Amb18268955 [1,0,0,0,1,0|2,0,0]=4 79 B16R2.33 Oc1ccc(cc1)Sc2ccc(cc2)O Amb1016532 [1,0,0,0,1,0|2,0,0]=4 80 B16R2.137 Brc1ccc(cc1)SCc2ccc(Br)o2 Amb24632037 [1,0,0,0,1,0|1,1,0]=4 81 B16R2.137 Cc1cc(CSc2ccc(Cl)cc2)o[n]1 Amb21170405 [1,0,0,0,1,0|2,0,0]=4 82 B16R2.137 Cc1ccc(cc1)SCc2ccc(Br)o2 Amb25370450 [1,0,0,0,1,0|2,0,0]=4 83 B16R2.137 Clc1ccc(cc1)NCc2ccc(o2)Br Amb10816176 [1,0,0,0,1,0|2,0,0]=4 84 B16R2.137 Clc1ccc(cc1)OCc2ccc(Br)o2 Amb24435197 [1,0,0,0,1,0|1,1,0]=4 85 B16R2.137 Clc1ccc(cc1)SCc2cc(Br)c[s]2 Amb25671360 [1,0,0,0,1,0|1,1,0]=4 86 B16R2.137 Clc1ccc(cc1)SCc2ccc(Br)[s]2 Amb25092259 [1,0,0,0,1,0|1,1,0]=4 87 B16R2.137 Oc1c[s]c(CSc2ccc(Cl)cc2)[n]1 Amb25030884 [1,0,0,0,1,0|1,1,0]=4 88 B16R2.131 Clc1ccc(cc1)Cc2cccc(c2)N Amb17141049 [1,0,0,0,1,0|2,0,0]=4 89 B16R2.131 Nc1cc(ccc1)Sc2ccc(Cl)cc2 Amb20623589 [1,0,0,0,1,0|2,0,0]=4 90 B16R2.1067 Clc1ccc(cc1)SCc2[s]ccc2Br Amb25058918 [1,0,0,0,1,0|1,1,0]=4 91 B16R2.2864 Clc1ccc(cc1)c2ccc(c(c2)Cl)O Amb17137561 [0,0,0,0,2,0|2,0,0]=4 92 B18R2.274 Clc1ccc(cc1)NCSc2ccc(cc2)Cl Amb2443914 [1,0,0,0,0,1|2,0,0]=4 93 B18R2.274 Nc1ccc(cc1)CSCc2ccc(cc2)Cl Amb17497789 [1,0,0,0,0,1|2,0,0]=4