0 B31R5.3975012 Cc1c(\C=C\2/Sc3[n]c4ccccc4[n]3C2=O)cc(C)[n]1-c5c[n]ccc5 Amb19528262 [0,0,0,0,0,0|2,0,0]=2 1 B31R5.3975012 Cc1c(\C=C\2/Sc3[n]c4ccccc4[n]3C2=O)cc(C)[n]1-c5cc[n]cc5 Amb19531953 [0,0,0,0,0,0|2,0,0]=2 2 B31R5.3975012 Cc1c(\C=C\2/Sc3[n]c4ccccc4[n]3C2=O)cc(C)[n]1-c5cccc[n]5 Amb19761509 [0,0,0,0,0,0|0,0,0]=0 3 B31R5.3975012 Cc1c(\C=C\2/Sc3[n]c4ccccc4[n]3C2=O)cc(C)[n]1-c5ccccc5 Amb19761471 [0,0,0,0,0,0|1,0,0]=1 4 B31R5.3975012 Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c5ccccc5 Amb17731351 [0,0,0,0,0,0|1,0,0]=1 5 B31R5.3975012 Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c5cccnc5 Amb17775667 [0,0,0,0,0,0|2,0,0]=2 6 B31R5.3975012 Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c5ccncc5 Amb17775869 [0,0,0,0,0,0|2,0,0]=2 7 B31R5.3975012 Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c5ccccn5 Amb17757076 [0,0,0,0,0,0|0,0,0]=0 8 B31R5.3975012 Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c5ccncc5 Amb17699514 [0,0,0,0,0,0|2,0,0]=2 9 B31R5.3975012 Cc1cc(c(n1c2ccccn2)C)\C=c/3\sc4n(c3=O)c5c(n4)cccc5 Amb17766876 [0,0,0,0,0,0|0,0,0]=0 10 B32R5.23603165 Cc1c(\C=C\2/Sc3[n]c4ccccc4[n]3C2=O)cc(C)[n]1-c5ccccc5F Amb19533992 [0,1,0,0,0,0|1,0,0]=2 11 B32R5.23603165 Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c5ccccc5Br Amb17913501 [0,1,0,0,0,0|1,0,0]=2 12 B32R5.45171182 Cc1c(\C=C/2\Sc3[n]c4ccccc4[n]3C2=O)cc(C)[n]1-c5ccc(O)cc5 Amb22004858 [0,1,0,0,0,0|1,0,0]=2 13 B32R5.45171182 Cc1c(\C=C\2/Sc3[n]c4ccccc4[n]3C2=O)cc(C)[n]1-c5ccc(Br)cc5 Amb19761473 [0,1,0,0,0,0|1,0,0]=2 14 B32R5.45171182 Cc1c(\C=C\2/Sc3[n]c4ccccc4[n]3C2=O)cc(C)[n]1-c5ccc(Cl)cc5 Amb19761472 [0,1,0,0,0,0|1,0,0]=2 15 B32R5.45171182 Cc1c(\C=C\2/Sc3[n]c4ccccc4[n]3C2=O)cc(C)[n]1-c5ccc(F)cc5 Amb19900980 [0,1,0,0,0,0|1,0,0]=2 16 B32R5.45171182 Cc1c(\C=C\2/Sc3[n]c4ccccc4[n]3C2=O)cc(C)[n]1-c5ccc(O)cc5 Amb19534159 [0,1,0,0,0,0|1,0,0]=2 17 B32R5.45171182 Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c5ccc(Br)cc5 Amb17775832 [0,1,0,0,0,0|1,0,0]=2 18 B32R5.45171182 Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c5ccc(C)cc5 Amb17855631 [0,1,0,0,0,0|1,0,0]=2 19 B32R5.45171182 Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c5ccc(Cl)cc5 Amb17835529 [0,1,0,0,0,0|1,0,0]=2 20 B32R5.45171182 Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c5ccc(F)cc5 Amb17783000 [0,1,0,0,0,0|1,0,0]=2 21 B32R5.45171182 Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c5ccc(I)cc5 Amb17770936 [0,1,0,0,0,0|1,0,0]=2 22 B32R5.45171182 Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c5ccc(F)cc5 Amb17757895 [0,1,0,0,0,0|1,0,0]=2 23 B32R5.45171182 Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c5ccc(O)cc5 Amb17750169 [0,1,0,0,0,0|1,0,0]=2 24 B32R5.45171182 Fc1ccc(cc1)n2c(C)cc(c2C)\C=c/3\sc4n(c3=O)c5c(n4)cccc5 Amb17934870 [0,1,0,0,0,0|1,0,0]=2 25 B32R5.45171182 Ic1ccc(cc1)n2c(C)cc(c2C)\C=c/3\sc4n(c3=O)c5c(n4)cccc5 Amb17912214 [0,1,0,0,0,0|1,0,0]=2 26 B32R5.83088946 Cc1c(\C=C\2/Sc3[n]c4ccccc4[n]3C2=O)cc(C)[n]1-c5cc(C)cc[n]5 Amb20232149 [0,1,0,0,0,0|0,0,0]=1 27 B32R5.83088946 Cc1c(\C=C\2/Sc3[n]c4ccccc4[n]3C2=O)cc(C)[n]1-c5cc(F)ccc5 Amb19761518 [0,1,0,0,0,0|1,0,0]=2 28 B32R5.83088946 Cc1c(\C=C\2/Sc3[n]c4ccccc4[n]3C2=O)cc(C)[n]1-c5cc(I)ccc5 Amb19754865 [0,1,0,0,0,0|1,0,0]=2 29 B32R5.83088946 Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c5cccc(Br)c5 Amb17913522 [0,1,0,0,0,0|1,0,0]=2 30 B32R5.83088946 Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c5cccc(C)c5 Amb17913514 [0,1,0,0,0,0|1,0,0]=2 31 B32R5.83088946 Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c5cccc(F)c5 Amb17731385 [0,1,0,0,0,0|1,0,0]=2 32 B30R4.22313418 Cc1c(\C=C\2/NC(=O)N(c3ccccc3)C2=O)cc(C)[n]1-c4cccc[n]4 Amb19760038 [0,0,1,0,0,0|2,0,0]=3 33 B30R4.22313418 Cc1c(\C=C\2/SC(=O)N(c3ccccc3)C2=O)cc(C)[n]1-c4c[n]ccc4 Amb19759417 [0,0,1,0,0,0|3,0,0]=4 34 B30R4.22313418 Cc1c(\C=C\2/SC(=S)N(C2=O)c3ccccc3)cc(C)[n]1-c4ccccc4 Amb19767290 [0,0,1,0,0,0|2,0,0]=3 35 B30R4.22313418 O=C1S\C(=C\c2cc(n(c2C)c3ccccc3)C)\C(=O)N1c4ccccc4 Amb1851764 [0,0,1,0,0,0|2,0,0]=3 36 B30R4.22313418 O=C1S\C(=C\c2cc(n(c2C)c3ccncc3)C)\C(=O)N1c4ccccc4 Amb1865942 [0,0,1,0,0,0|3,0,0]=4 37 B30R4.22313418 S=C1S\C(=C\c2cc(n(c2C)c3ccccc3)C)\C(=O)N1c4ccccc4 Amb1027078 [0,0,1,0,0,0|2,0,0]=3 38 B30R4.39345326 O=C/1N=C(S\C1=C\c2cc(n(c2C)c3ccccc3)C)Nc4ccccc4 Amb10788253 [0,0,1,0,0,0|1,0,2]=4 39 B31R4.881494503 Cc1c(\C=C\2/NC(=O)N(c3ccccc3)C2=O)cc(C)[n]1-c4ccc(C)c[n]4 Amb19760291 [0,1,1,0,0,0|2,0,0]=4 40 B31R4.881494503 Cc1c(\C=C\2/SC(=S)N(C2=O)c3ccc(F)cc3)cc(C)[n]1-c4ccccc4 Amb19543131 [0,1,1,0,0,0|2,0,0]=4 41 B31R4.881494503 Cc1ccc(nc1)n2c(C)cc(c2C)\C=C\3/NC(=O)N(C3=O)c4ccccc4 Amb1858111 [0,1,1,0,0,0|2,0,0]=4 42 B31R4.1413519940 Cc1ccccc1N2C(=S)S\C(=C/c3cc(n(c3C)c4ccccc4)C)\C2=O Amb1775321 [0,1,1,0,0,0|2,0,0]=4 43 B31R4.1413519940 O=C1S\C(=C\c2cc(n(c2C)c3ccccc3Cl)C)\C(=O)N1c4ccccc4 Amb1851781 [0,1,1,0,0,0|2,0,0]=4 44 B31R4.2299293863 Cc1c(\C=C\2/SC(=O)N(c3ccccc3)C2=O)cc(C)[n]1-c4cc(C)ccc4 Amb19529230 [0,1,1,0,0,0|2,0,0]=4 45 B31R4.2299293863 Cc1c(\C=C\2/SC(=O)N(c3ccccc3)C2=O)cc(C)[n]1-c4cc(F)ccc4 Amb19529141 [0,1,1,0,0,0|2,0,0]=4 46 B31R4.2299293863 Cc1c(\C=C\2/SC(=S)N(C2=O)c3cc(C)ccc3)cc(C)[n]1-c4ccccc4 Amb19542982 [0,1,1,0,0,0|2,0,0]=4 47 B31R4.2299293863 Cc1ccnc(c1)n2c(C)cc(c2C)\C=C/3\NC(=O)N(C3=O)c4ccccc4 Amb1775875 [0,1,1,0,0,0|2,0,0]=4 48 B31R4.2299293863 Cc1ccnc(c1)n2c(C)cc(c2C)\C=C/3\SC(=O)N(C3=O)c4ccccc4 Amb1848790 [0,1,1,0,0,0|1,0,0]=3 49 B31R4.2299293863 Clc1cccc(c1)N2C(=O)N\C(=C\c3cc(n(c3C)c4ccccn4)C)\C2=O Amb1855820 [0,1,1,0,0,0|2,0,0]=4 50 B31R4.2299293863 Clc1cccc(c1)N2C(=S)S\C(=C\c3cc(n(c3C)c4ccccc4)C)\C2=O Amb1027074 [0,1,1,0,0,0|2,0,0]=4 51 B31R4.2299293863 Fc1cccc(c1)n2c(C)cc(c2C)\C=C/3\SC(=O)N(C3=O)c4ccccc4 Amb1852588 [0,1,1,0,0,0|2,0,0]=4 52 B31R4.345305556 O=C/1N\C(=N\c2ccccc2Cl)\S\C1=C/c3cc(n(c3C)c4ccccc4)C Amb16763849 [0,1,1,0,0,0|1,0,0]=3 53 B31R4.452879188 Cc1c(\C=C\2/S\C(\NC2=O)=N\c3ccccc3)cc(C)[n]1-c4ccc(Cl)cc4 Amb19761469 [0,1,1,0,0,0|1,0,0]=3 54 B31R4.452879188 Cc1c(\C=C\2/S\C(\NC2=O)=N\c3ccccc3)cc(C)[n]1-c4ccc(F)cc4 Amb21990626 [0,1,1,0,0,0|1,0,0]=3 55 B31R4.452879188 Clc1ccc(cc1)n2c(C)cc(c2C)\C=C/3\S\C(=N\c4ccccc4)\NC3=O Amb1985970 [0,1,1,0,0,0|1,0,0]=3 56 B31R4.459605596 Cc1c(\C=C\2/S\C(\NC2=O)=N/c3ccc(Br)cc3)cc(C)[n]1-c4cc[n]cc4 Amb19759204 [0,1,1,0,0,0|2,0,0]=4 57 B31R4.459605596 Cc1c(\C=C\2/S\C(\NC2=O)=N/c3ccc(F)cc3)cc(C)[n]1-c4cc[n]cc4 Amb19759902 [0,1,1,0,0,0|2,0,0]=4 58 B31R4.459605596 Cc1c(\C=C\2/S\C(\NC2=O)=N\c3ccc(F)cc3)cc(C)[n]1-c4ccccc4 Amb19761516 [0,1,1,0,0,0|1,0,0]=3 59 B31R4.459605596 Cc1ccc(cc1)\N=C/2\NC(=O)\C(=C/c3cc(n(c3C)c4cccnc4)C)\S2 Amb1853060 [0,1,1,0,0,0|2,0,0]=4 60 B33R5.31704223 CCc1ccccc1-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C Amb17913503 [0,2,0,0,0,0|1,0,0]=3 61 B33R5.31704223 COc1ccccc1-[n]2c(C)c(\C=C\3/Sc4[n]c5ccccc5[n]4C3=O)cc2C Amb19544209 [0,2,0,0,0,0|1,0,0]=3 62 B33R5.78491616 Cc1c(\C=C\2/Sc3[n]c4ccccc4[n]3C2=O)cc(C)[n]1-c5c(C)cccc5C Amb19760076 [0,2,0,0,0,0|1,0,0]=3 63 B33R5.78491616 Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c5c(C)cccc5C Amb17750076 [0,2,0,0,0,0|1,0,0]=3 64 B33R5.202172076 Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c5cccc(Cl)c5C Amb17918192 [0,2,0,0,0,0|1,0,0]=3 65 B33R5.212616467 Cc1cc(\C=C\2/Sc3[n]c4ccccc4[n]3C2=O)c(C)[n]1-c5ccc(C)cc5C Amb19533970 [0,2,0,0,0,0|1,0,0]=3 66 B33R5.212723205 Cc1ccc(Cl)cc1-[n]2c(C)c(\C=C\3/Sc4[n]c5ccccc5[n]4C3=O)cc2C Amb19759987 [0,2,0,0,0,0|1,0,0]=3 67 B33R5.49828402 CCc1ccc(cc1)-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C Amb17855957 [0,2,0,0,0,0|1,0,0]=3 68 B33R5.49828402 COc1ccc(cc1)-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C Amb17770741 [0,2,0,0,0,0|1,0,0]=3 69 B33R5.49828402 Cc1c(\C=C\2/Sc3[n]c4ccccc4[n]3C2=O)cc(C)[n]1-c5ccc(cc5)C#N Amb21935386 [0,2,0,0,0,0|1,0,0]=3 70 B33R5.49828402 Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c5ccc(cc5)C#N Amb17835818 [0,2,0,0,0,0|1,0,0]=3 71 B33R5.49828402 Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c5ccc(cc5)C#N Amb17750171 [0,2,0,0,0,0|1,0,0]=3 72 B33R5.382729194 Cc1c(\C=C/2\Sc3[n]c4ccccc4[n]3C2=O)cc(C)[n]1-c5cc(C)c(C)cc5 Amb20231021 [0,2,0,0,0,0|1,0,0]=3 73 B33R5.382729194 Cc1c(\C=C\2/Sc3[n]c4ccccc4[n]3C2=O)cc(C)[n]1-c5cc(C)c(C)cc5 Amb19528835 [0,2,0,0,0,0|1,0,0]=3 74 B33R5.382729194 Cc1c(\C=C\2/Sc3[n]c4ccccc4[n]3C2=O)cc(C)[n]1-c5cc(Cl)c(Br)cc5 Amb19759986 [0,2,0,0,0,0|1,0,0]=3 75 B33R5.382729194 Cc1c(\C=C\2/Sc3[n]c4ccccc4[n]3C2=O)cc(C)[n]1-c5cc(Cl)c(Cl)cc5 Amb19805194 [0,2,0,0,0,0|1,0,0]=3 76 B33R5.382729194 Cc1c(\C=C\2/Sc3[n]c4ccccc4[n]3C2=O)cc(C)[n]1-c5cc(Cl)c(F)cc5 Amb19759985 [0,2,0,0,0,0|1,0,0]=3 77 B33R5.382729194 Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c5ccc(Cl)c(Cl)c5 Amb17945414 [0,2,0,0,0,0|1,0,0]=3 78 B33R5.382729194 Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c5ccc(Cl)c(Cl)c5 Amb17757574 [0,2,0,0,0,0|1,0,0]=3 79 B33R5.382729194 Clc1ccc(cc1Cl)n2c(C)cc(c2C)\C=c/3\sc4n(c3=O)c5c(n4)cccc5 Amb17934873 [0,2,0,0,0,0|1,0,0]=3 80 B33R5.188246476 Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c5cc(C)cc(C)c5 Amb17773463 [0,2,0,0,0,0|1,0,0]=3 81 B33R5.188246476 Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c5cc(Cl)cc(Cl)c5 Amb17872984 [0,2,0,0,0,0|1,0,0]=3 82 B29R4.68561733 Cc1c(\C=C(/C#N)\c2[nH]c3ccccc3[n]2)cc(C)[n]1-c4cccc[n]4 Amb20237836 [0,0,1,0,1,0|1,0,1]=4 83 B31R4.356265121 O=C1N\C(=C\c2cc(n(c2C)c3ccccn3)C)\C(=O)N1Cc4ccccc4 Amb1827701 [0,0,1,0,0,1|2,0,0]=4 84 B31R4.356265121 S=C1S\C(=C/c2cc(n(c2C)c3ccccc3)C)\C(=O)N1Cc4ccccc4 Amb16763850 [0,0,1,0,0,1|2,0,0]=4