0 B18R2.9259 Brc1ccc(cc1)CSc2nnc(c(n2)O)C Amb1049723 [0,0,0,0,0,0|1,1,1]=3 1 B18R2.9259 CC1=NN=C(NC1=O)SCc2ccc(Cl)cc2 Amb18518254 [0,0,0,0,0,0|1,0,3]=4 2 B18R2.9259 Cc1ccc(cc1)CSc2nnc(c(n2)O)C Amb2538460 [0,0,0,0,0,0|2,0,1]=3 3 B18R2.9259 Clc1ccc(cc1)CSc2nnc(c(n2)C)C Amb2415471 [0,0,0,0,0,0|2,0,1]=3 4 B18R2.9259 Clc1ccc(cc1)CSc2nnc(c(n2)O)C Amb2538463 [0,0,0,0,0,0|1,0,1]=2 5 B18R2.9259 Fc1ccc(cc1)CSc2nnc(c(n2)O)C Amb2538433 [0,0,0,0,0,0|1,1,1]=3 6 B17R2.193 Cc1nnc(nc1O)NCc2ccccc2 Amb2538341 [1,0,0,0,0,0|2,0,1]=4 7 B17R2.193 Cc1nnc(nc1O)SCc2ccccc2 Amb2496286 [1,0,0,0,0,0|1,0,1]=3 8 B17R2.193 Nc1c[n]c(NCc2ccccc2)[n]c1O Amb25177889 [1,0,0,0,0,0|3,0,0]=4 9 B17R2.207 Cc1ccc([n][n]1)SCc2ccc(Cl)cc2 Amb24097451 [1,0,0,0,0,0|2,0,1]=4 10 B17R2.207 Clc1ccc(CSc2ccc(Cl)[n][n]2)cc1 Amb19747836 [1,0,0,0,0,0|2,0,1]=4 11 B17R2.207 Nc1c[n]c(CCc2ccc(Cl)cc2)[n]c1 Amb18070831 [1,0,0,0,0,0|3,0,0]=4 12 B17R2.207 O=C1CNC(CCc2ccc(Cl)cc2)=NN1 Amb18454656 [1,0,0,0,0,0|1,0,2]=4 13 B17R2.215 Brc1ccc(cc1)CSc2nccc(n2)O Amb2496349 [1,0,0,0,0,0|1,1,0]=3 14 B17R2.215 Clc1ccc(CSc2cc(Cl)cc[n]2)cc1 Amb22236325 [1,0,0,0,0,0|3,0,0]=4 15 B17R2.215 Clc1ccc(cc1)CSc2nccc(=O)[nH]2 Amb1263283 [1,0,0,0,0,0|1,0,2]=4 16 B17R2.215 Clc1ccc(cc1)CSc2nccc(n2)C Amb2433011 [1,0,0,0,0,0|2,0,0]=3 17 B17R2.215 Clc1ccc(cc1)CSc2nccc(n2)O Amb1100835 [1,0,0,0,0,0|1,0,0]=2 18 B17R2.215 Nc1cc[n]c(CCc2ccc(Cl)cc2)[n]1 Amb18070825 [1,0,0,0,0,0|3,0,0]=4 19 B17R2.215 Nc1ccc(CCc2[n]c(O)cc[n]2)cc1 Amb18225384 [1,0,0,0,0,0|3,0,0]=4 20 B17R2.215 O=C1C=CN=C(N1)SCc2ccc(Cl)cc2 Amb18369417 [1,0,0,0,0,0|1,0,2]=4 21 B17R2.215 O=C1C=NN=C(N1)SCc2ccc(Cl)cc2 Amb17999777 [1,0,0,0,0,0|0,0,3]=4 22 B17R2.215 Oc1cc[n]c(CCc2ccc(Br)cc2)[n]1 Amb18888870 [1,0,0,0,0,0|2,1,0]=4 23 B19R2.2679 COc1cnc(nc1Cl)SCc2ccc(cc2)Cl Amb2424619 [0,1,0,0,0,0|2,0,1]=4 24 B19R2.2679 COc1cnc(nc1O)SCc2ccc(cc2)Cl Amb2421420 [0,1,0,0,0,0|1,0,1]=3 25 B19R2.2679 N#Cc1cnc(nc1N)SCc2ccc(cc2)Cl Amb1159243 [0,1,0,0,0,0|3,0,0]=4 26 B19R2.149413 Clc1ccc(cc1Cl)CSc2nnc(c(n2)O)C Amb2538435 [0,1,0,0,0,0|1,0,1]=3 27 B19R2.1294342 Cc1c(O)[n]c([n]c1C)SCc2ccc(F)cc2 Amb20179455 [0,1,0,0,0,0|2,1,0]=4 28 B17R2.472 Clc1ccc(cc1)Nc2nnc(c(n2)O)C Amb2538361 [0,0,0,0,1,0|2,0,1]=4 29 B17R2.495 Cc1oc([n]c1C)SCc2ccc(Cl)cc2 Amb21556969 [0,0,0,0,1,0|3,0,0]=4 30 B17R2.56458 CN1C(=O)NN=C1SCc2ccc(Br)cc2 Amb19387433 [0,0,0,0,1,0|2,1,0]=4 31 B17R2.56458 Cc1ccc(CSC2=NNC(=O)N2C)cc1 Amb20699895 [0,0,0,0,1,0|3,0,0]=4 32 B16R2.132 Brc1c[n]c([n]c1)SCc2ccccc2 Amb21856640 [2,0,0,0,0,0|2,0,0]=4 33 B16R2.132 Brc1ccc(CSc2[n]ccc[n]2)cc1 Amb24076757 [2,0,0,0,0,0|1,1,0]=4 34 B16R2.132 Cc1c[n]c([n]c1)SCc2ccccc2 Amb24210737 [2,0,0,0,0,0|2,0,0]=4 35 B16R2.132 Clc1c[n]c([n]c1)SCc2ccccc2 Amb23673495 [2,0,0,0,0,0|2,0,0]=4 36 B16R2.132 Clc1ccc(COc2[n]ccc[n]2)cc1 Amb22441870 [2,0,0,0,0,0|1,1,0]=4 37 B16R2.132 Ic1c[n]c([n]c1)SCc2ccccc2 Amb25078382 [2,0,0,0,0,0|2,0,0]=4 38 B16R2.132 Ic1ccc(CSc2[n]ccc[n]2)cc1 Amb25029819 [2,0,0,0,0,0|1,1,0]=4 39 B16R2.132 O=C1C=CC(=NN1)OCc2ccccc2 Amb20299490 [2,0,0,0,0,0|1,1,0]=4 40 B16R2.252 Oc1c[n][n]c([n]1)SCc2ccccc2 Amb19870457 [2,0,0,0,0,0|0,0,1]=3 41 B16R2.252 Oc1ccnc(n1)SCc2ccccc2 Amb2496175 [2,0,0,0,0,0|1,0,0]=3 42 B18R2.2562 COc1cnc(nc1O)SCc2ccccc2 Amb2421421 [1,1,0,0,0,0|1,0,1]=4 43 B18R2.2562 Nc1[n]c([n]cc1C=O)SCc2ccccc2 Amb24094569 [1,1,0,0,0,0|2,0,0]=4 44 B18R2.39765 Clc1ccccc1CSc2nnc(c(n2)O)C Amb2369328 [1,1,0,0,0,0|1,0,1]=4 45 B18R2.65908 Cc1cccc(c1)CSc2nnc(c(n2)O)C Amb2538464 [1,1,0,0,0,0|1,0,1]=4 46 B18R2.9252 Clc1ccc(cc1)CSc2n[nH]c(=O)[nH]c2=O Amb1038106 [1,1,0,0,0,0|2,0,0]=4 47 B18R2.9252 O=C1NN=C(SCc2ccc(Cl)cc2)C(=O)N1 Amb17989546 [1,1,0,0,0,0|2,0,0]=4 48 B18R2.60 COc1ccc(cc1)CSc2nccc(n2)O Amb1060761 [1,1,0,0,0,0|2,0,0]=4 49 B18R2.65901 Clc1ccc(c(c1)Cl)CSc2nccc(n2)O Amb2496303 [1,1,0,0,0,0|1,0,0]=3 50 B18R2.65901 Nc1cc(Br)c(CSc2[n]c(O)cc[n]2)cc1 Amb23919112 [1,1,0,0,0,0|2,0,0]=4 51 B18R2.65901 Oc1cc[n]c([n]1)SCc2ccc(Cl)cc2F Amb21989358 [1,1,0,0,0,0|1,0,0]=3 52 B18R2.686529 Brc1ccc(cc1)CSc2nc(N)cc(n2)O Amb2496350 [1,1,0,0,0,0|1,1,0]=4 53 B18R2.686529 Fc1ccc(cc1)CSc2nc(O)cc(n2)O Amb1889129 [1,1,0,0,0,0|1,1,0]=4 54 B18R2.9257 Clc1ccc(cc1)CSc2nc(c(n2C)C)C Amb2431438 [0,1,0,0,1,0|2,0,0]=4 55 B18R2.33280 Cc1[n]c([nH]c1C)SCc2ccc(Cl)cc2F Amb21989357 [0,1,0,0,1,0|2,0,0]=4 56 B20R2.16007 Clc1ccc(cc1)CSc2ncc(c(n2)C)C(=O)C Amb2422987 [0,2,0,0,0,0|2,0,0]=4 57 B20R2.16007 Clc1ccc(cc1)CSc2ncc(c(n2)C)C(=O)O Amb2423061 [0,2,0,0,0,0|2,0,0]=4 58 B20R2.41136 COc1nc(SCc2ccc(cc2)Cl)ncc1OC Amb2424620 [0,2,0,0,0,0|1,0,1]=4 59 B20R2.2387056 COc1cnc(nc1O)SCc2ccc(cc2Cl)Cl Amb2421424 [0,2,0,0,0,0|1,0,1]=4 60 B20R2.2387065 COc1cnc(nc1O)SCc2ccc(c(c2)Cl)Cl Amb2424809 [0,2,0,0,0,0|1,0,1]=4 61 B20R2.16008 Clc1ccc(cc1)CSc2ncc(c(n2)C(=O)O)Br Amb16238897 [0,2,0,0,0,0|2,0,0]=4 62 B20R2.16008 Clc1ccc(cc1)CSc2ncc(c(n2)C(=O)O)Cl Amb1114168 [0,2,0,0,0,0|2,0,0]=4 63 B16R2.2884 Cc1[nH]c(nc1C)SCc2ccccc2 Amb1930810 [1,0,0,0,1,0|2,0,0]=4 64 B16R2.5952 CN1C(=O)NN=C1SCc2ccccc2 Amb20699728 [1,0,0,0,1,0|2,0,0]=4 65 B16R2.33 Cc1ccc(cc1)SC=2C=CC(=O)NN2 Amb19406559 [1,0,0,0,1,0|2,0,0]=4 66 B16R2.33 Clc1ccc(cc1)Sc2[n]cc(Br)c[n]2 Amb25077023 [1,0,0,0,1,0|2,0,0]=4 67 B16R2.33 Fc1c[n]c([n]c1)Sc2ccc(Cl)cc2 Amb21865517 [1,0,0,0,1,0|2,0,0]=4 68 B16R2.33 O=C1C=CC(Nc2ccc(Cl)cc2)=NN1 Amb22755307 [1,0,0,0,1,0|2,0,0]=4 69 B16R2.137 Cc1ccc(cc1)CSc2n[nH]c(n2)N Amb2579495 [1,0,0,0,1,0|2,0,0]=4 70 B16R2.137 Clc1ccc(CSc2[n][s]c(Cl)[n]2)cc1 Amb20676068 [1,0,0,0,1,0|2,0,0]=4 71 B16R2.137 Clc1ccc(CSc2[n]c(Cl)c[s]2)cc1 Amb25754834 [1,0,0,0,1,0|2,0,0]=4 72 B16R2.137 Clc1ccc(cc1)CCc2n[nH]c(c2)C Amb17244667 [1,0,0,0,1,0|2,0,0]=4 73 B16R2.137 Clc1ccc(cc1)CSc2n[nH]c(n2)N Amb1104089 [1,0,0,0,1,0|1,0,0]=3 74 B16R2.137 S=C1NN=C(SCc2ccc(Cl)cc2)S1 Amb19817970 [1,0,0,0,1,0|1,1,0]=4 75 B16R2.131 Nc1ccc(Cc2[n]c(O)cc[n]2)cc1 Amb18864360 [1,0,0,0,1,0|2,0,0]=4 76 B16R2.131 Oc1cc[n]c(Cc2ccc(Br)cc2)[n]1 Amb18884042 [1,0,0,0,1,0|1,1,0]=4 77 B16R2.2864 Clc1ccc(cc1)c2nnc(c(n2)O)C Amb2434944 [0,0,0,0,2,0|1,0,1]=4 78 B16R2.2864 NC1=CC(=NNC1=O)c2ccc(Cl)cc2 Amb18016091 [0,0,0,0,2,0|2,0,0]=4 79 B16R2.2864 OC1=CC(=NNC1=O)c2ccc(Cl)cc2 Amb22459236 [0,0,0,0,2,0|1,0,0]=3 80 B18R2.8976 Cc1nnc(nc1O)SCCc2ccccc2 Amb1049727 [1,0,0,0,0,1|1,0,1]=4