0 B18R2.134 CCC1=NC(=S)NC(N)=C1c2ccc(Cl)cc2 Amb19405040 [0,0,0,0,0,0|1,0,1]=2 1 B18R2.134 CCc1[n]c(N)[n]c(N)c1-c2ccc(Cl)cc2 Amb24093706 [0,0,0,0,0,0|0,0,0]=0 2 B18R2.134 CCc1nc(N)nc(c1c2ccc(cc2)Cl)O Amb17596877 [0,0,0,0,0,0|1,0,0]=1 3 B17R2.127 CCc1nc(N)nc(c1c2ccccc2)N Amb10562601 [1,0,0,0,0,0|0,0,0]=1 4 B17R2.127 CCc1nc(O)nc(c1c2ccccc2)N Amb16204039 [1,0,0,0,0,0|1,0,0]=2 5 B17R2.127 Nc1[n]c(C=O)c(-c2ccccc2)c(N)[n]1 Amb24080605 [1,0,0,0,0,0|1,0,1]=3 6 B17R2.2487 COc1cc(N)ccc1c2ccc(cc2)Cl Amb17137538 [1,0,0,0,0,0|3,0,0]=4 7 B17R2.18945 Cc1[n]c(N)[n]c(N)c1-c2ccc(Cl)cc2 Amb18662412 [1,0,0,0,0,0|0,0,0]=1 8 B17R2.18945 Cc1[n]c(N)[n]c(O)c1-c2ccc(Cl)cc2 Amb22465885 [1,0,0,0,0,0|1,0,0]=2 9 B17R2.18945 Cc1[n]c(N)c(-c2ccc(Br)cc2)c(C)[n]1 Amb18596187 [1,0,0,0,0,0|1,1,0]=3 10 B17R2.18945 Cc1[n]c(N)c(-c2ccc(Cl)cc2)c(C)[n]1 Amb18070834 [1,0,0,0,0,0|1,0,0]=2 11 B17R2.18945 Cc1[n]c(N)c(-c2ccc(F)cc2)c(C)[n]1 Amb18067275 [1,0,0,0,0,0|1,1,0]=3 12 B17R2.18945 Cc1ccc(cc1)-c2c(N)[n]c(C)[n]c2C Amb18066726 [1,0,0,0,0,0|2,0,0]=3 13 B17R2.18945 Cc1ccc(cc1)c2c(C)nc(nc2N)O Amb17340397 [1,0,0,0,0,0|2,0,0]=3 14 B17R2.18945 Clc1ccc(cc1)c2c(C)nc(nc2N)O Amb17346776 [1,0,0,0,0,0|1,0,0]=2 15 B17R2.18945 Fc1ccc(cc1)c2c(C)nc(nc2N)O Amb17341212 [1,0,0,0,0,0|1,1,0]=3 16 B17R2.18945 Nc1[n]c(O)c(-c2ccc(F)cc2)c(O)[n]1 Amb21965039 [1,0,0,0,0,0|2,1,0]=4 17 B19R2.7787 CCc1[n]c(N)[n]c(N)c1-c2cc(Cl)c(Cl)cc2 Amb22474943 [0,1,0,0,0,0|0,0,0]=1 18 B19R2.7787 CCc1[n]c(N)[n]c(N)c1-c2cc(N)c(Cl)cc2 Amb18668673 [0,1,0,0,0,0|0,0,0]=1 19 B17R2.2628 CCc1nn(c(c1c2ccc(cc2)F)N)C Amb1485362 [0,0,0,0,1,0|2,1,0]=4 20 B16R2.2247 Cc1[n]c(Cl)[n]c(C)c1-c2ccccc2 Amb22453848 [2,0,0,0,0,0|2,0,0]=4 21 B16R2.2247 Cc1[n]c(N)c(-c2ccccc2)c(C)[n]1 Amb18566155 [2,0,0,0,0,0|1,0,0]=3 22 B16R2.2247 Nc1nc(Cl)c(c(n1)Cl)c2ccccc2 Amb1626665 [2,0,0,0,0,0|2,0,0]=4 23 B16R2.2247 Oc1nc(C)c(c(n1)N)c2ccccc2 Amb17337659 [2,0,0,0,0,0|1,0,0]=3 24 B16R2.26 NCc1ncccc1c2ccc(cc2)Cl Amb17320053 [2,0,0,0,0,0|2,0,0]=4 25 B16R2.33107 Cc1[n]c[n]c(N)c1-c2ccc(Br)cc2 Amb18591398 [2,0,0,0,0,0|0,1,0]=3 26 B16R2.33107 Cc1[n]c[n]c(N)c1-c2ccc(Cl)cc2 Amb18067513 [2,0,0,0,0,0|0,0,0]=2 27 B16R2.33107 Cc1[n]c[n]c(N)c1-c2ccc(F)cc2 Amb18566669 [2,0,0,0,0,0|0,1,0]=3 28 B16R2.33107 Cc1ccc(cc1)-c2c(N)[n]c[n]c2C Amb18566158 [2,0,0,0,0,0|1,0,0]=3 29 B16R2.33107 Clc1ccc(cc1)-c2c(Cl)[n]c[n]c2Cl Amb23116784 [2,0,0,0,0,0|2,0,0]=4 30 B16R2.33107 Nc1[n]ccc(Cl)c1-c2ccc(Cl)cc2 Amb23571869 [2,0,0,0,0,0|2,0,0]=4 31 B16R2.33107 Nc1cc[n]c(Cl)c1-c2ccc(Cl)cc2 Amb24322867 [2,0,0,0,0,0|2,0,0]=4 32 B16R2.2857 Brc1ccc(cc1)c2cnc(nc2N)O Amb17361155 [2,0,0,0,0,0|1,1,0]=4 33 B16R2.2857 Cc1[n]c(Cl)[n]cc1-c2ccc(Cl)cc2 Amb24578407 [2,0,0,0,0,0|1,0,0]=3 34 B16R2.2857 Cc1[n]c(N)c(c[n]1)-c2ccc(Br)cc2 Amb18591397 [2,0,0,0,0,0|1,1,0]=4 35 B16R2.2857 Cc1[n]c(N)ccc1-c2ccc(N)cc2 Amb18335677 [2,0,0,0,0,0|2,0,0]=4 36 B16R2.2857 Cc1[n]c(N)ccc1-c2ccc(O)cc2 Amb19092594 [2,0,0,0,0,0|2,0,0]=4 37 B16R2.2857 Cc1cc(N)[n]cc1-c2ccc(N)cc2 Amb19092572 [2,0,0,0,0,0|2,0,0]=4 38 B16R2.2857 Cc1cc(N)[n]cc1-c2ccc(O)cc2 Amb18335604 [2,0,0,0,0,0|2,0,0]=4 39 B16R2.2857 Cc1ccc(cc1)c2cnc(nc2N)O Amb17337662 [2,0,0,0,0,0|2,0,0]=4 40 B16R2.2857 Clc1ccc(cc1)c2c[nH]c(=S)nc2N Amb15694885 [2,0,0,0,0,0|1,0,1]=4 41 B16R2.2857 Clc1ccc(cc1)c2cnc(nc2S)N Amb16210918 [2,0,0,0,0,0|1,0,0]=3 42 B16R2.2857 Fc1ccc(cc1)c2cnc(nc2N)O Amb17338220 [2,0,0,0,0,0|1,1,0]=4 43 B16R2.2857 Nc1[n]c(N)[n]cc1-c2ccc(Cl)cc2 Amb18948560 [2,0,0,0,0,0|0,0,0]=2 44 B16R2.2857 Nc1ccc(cc1)-c2c[n]c(N)[n]c2N Amb24093704 [2,0,0,0,0,0|1,0,0]=3 45 B18R2.4486 CCc1ccc(cc1)-c2c(N)[n]c(C)[n]c2C Amb18571624 [1,1,0,0,0,0|2,0,0]=4 46 B18R2.4486 CCc1ccc(cc1)c2c(C)nc(nc2N)O Amb17344330 [1,1,0,0,0,0|2,0,0]=4 47 B18R2.4486 COc1ccc(cc1)c2c(C)nc(nc2N)O Amb17344761 [1,1,0,0,0,0|2,0,0]=4 48 B18R2.4486 Cc1[n]c(C)c(c(N)[n]1)-c2ccc(cc2)OC Amb18572081 [1,1,0,0,0,0|2,0,0]=4 49 B18R2.93487 Cc1[n]c(N)[n]c(N)c1-c2cc(Cl)c(Cl)cc2 Amb18137386 [1,1,0,0,0,0|0,0,0]=2 50 B18R2.93487 Cc1[n]c(N)c(-c2cc(Cl)c(Cl)cc2)c(C)[n]1 Amb18593091 [1,1,0,0,0,0|1,0,0]=3 51 B18R2.93487 Oc1nc(C)c(c(n1)N)c2ccc(c(c2)Cl)Cl Amb17363511 [1,1,0,0,0,0|1,0,0]=3 52 B18R2.265715 Clc1ccc(cc1)N2C(=NC(=NC2(C)C)N)N Amb1394911 [1,1,0,0,0,0|1,0,1]=4 53 B18R2.530096 Cc1[n]c(N)c(-c2ccc(Cl)cc2Cl)c(C)[n]1 Amb18593089 [1,1,0,0,0,0|1,0,0]=3 54 B18R2.530096 Cc1cc(C)c(cc1)-c2c(N)[n]c(C)[n]c2C Amb18571633 [1,1,0,0,0,0|2,0,0]=4 55 B18R2.530096 Cc1ccc(c(c1)C)c2c(C)nc(nc2N)O Amb17344333 [1,1,0,0,0,0|2,0,0]=4 56 B18R2.530096 Clc1ccc(c(c1)Cl)c2c(C)nc(nc2N)O Amb17363510 [1,1,0,0,0,0|1,0,0]=3 57 B18R2.2911 CCc1sc(c(c1c2ccc(cc2)Cl)C#N)N Amb17111294 [0,1,0,0,1,0|1,0,1]=4 58 B18R2.7411 C[n]1[n]c(COC)c(c1N)-c2ccc(Cl)cc2 Amb23503881 [0,1,0,0,1,0|2,0,0]=4 59 B20R2.9066 CCc1[n]c(N)[n]c(N)c1-c2ccc(cc2)[N+]([O-])=O Amb22494630 [0,2,0,0,0,0|1,0,0]=3 60 B20R2.5927140 CCC1(CC)N=C(N)N=C(C1c2ccc(cc2)Cl)N Amb17597481 [0,2,0,0,0,0|0,0,2]=4 61 B18R2.6770 NC=1N=C(CCl)N\C(=N\c2ccc(Cl)cc2)\N1 Amb22558121 [0,0,1,1,0,0|2,0,0]=4 62 B16R2.7547 CCc1[nH]nc(c1c2ccc(cc2)C)N Amb17237346 [1,0,0,0,1,0|1,0,1]=4 63 B16R2.7547 CCc1[nH]nc(c1c2ccc(cc2)F)N Amb17238351 [1,0,0,0,1,0|0,1,1]=4 64 B16R2.7547 CCc1[n][n]c(Cl)[n]1-c2ccc(Cl)cc2 Amb25171055 [1,0,0,0,1,0|2,0,0]=4 65 B16R2.7547 CCc1n[nH]c(c1c2ccc(cc2)Br)N Amb2191302 [1,0,0,0,1,0|0,1,1]=4 66 B16R2.7547 CCc1n[nH]c(c1c2ccc(cc2)Cl)N Amb2162529 [1,0,0,0,1,0|0,0,1]=3 67 B16R2.7547 CCc1n[nH]c(c1c2ccc(cc2)F)N Amb1485361 [1,0,0,0,1,0|0,1,1]=4 68 B16R2.7547 CCc1noc(c1c2ccc(cc2)C)N Amb17237470 [1,0,0,0,1,0|2,0,0]=4 69 B16R2.7547 CCc1noc(c1c2ccc(cc2)F)N Amb1161457 [1,0,0,0,1,0|1,1,0]=4 70 B16R2.2366 CCc1sc(nc1c2ccc(cc2)Br)N Amb1395768 [1,0,0,0,1,0|1,1,0]=4 71 B16R2.2366 CCc1sc(nc1c2ccc(cc2)C)N Amb2503231 [1,0,0,0,1,0|2,0,0]=4 72 B16R2.2366 CCc1sc(nc1c2ccc(cc2)Cl)N Amb2502997 [1,0,0,0,1,0|1,0,0]=3 73 B16R2.2366 NCc1sc(nc1c2ccc(cc2)Cl)N Amb17158866 [1,0,0,0,1,0|2,0,0]=4 74 B16R2.2366 OCc1sc(nc1c2ccc(cc2)Cl)N Amb17410303 [1,0,0,0,1,0|2,0,0]=4 75 B16R2.2622 CCn1c(N)ncc1c2ccc(cc2)Br Amb1981374 [1,0,0,0,1,0|1,1,0]=4 76 B16R2.2622 CCn1c(N)ncc1c2ccc(cc2)Cl Amb1981373 [1,0,0,0,1,0|1,0,0]=3 77 B16R2.2622 CCn1c(N)ncc1c2ccc(cc2)F Amb1981372 [1,0,0,0,1,0|1,1,0]=4 78 B16R2.2622 CCn1c(N)ncc1c2ccc(cc2)I Amb1981375 [1,0,0,0,1,0|1,1,0]=4 79 B16R2.33106 Cc1c(c(N)[n][n]1C)-c2ccc(Cl)cc2 Amb18867176 [1,0,0,0,1,0|2,0,0]=4 80 B18R2.6596 CCC=1NC(N)=NC(=O)C1Cc2ccccc2 Amb24062685 [1,0,0,0,0,1|1,0,1]=4 81 B18R2.6596 CCc1[n]c(N)[n]c(N)c1Cc2ccccc2 Amb22489191 [1,0,0,0,0,1|0,0,0]=2 82 B18R2.94086 CC=1N=C(N)NC(=O)C1Cc2ccc(Cl)cc2 Amb19651154 [1,0,0,0,0,1|1,0,1]=4 83 B18R2.94086 Cc1[n]c(Cl)[n]c(C)c1Cc2ccc(Cl)cc2 Amb19514320 [1,0,0,0,0,1|2,0,0]=4 84 B18R2.94086 Cc1[n]c(N)[n]c(N)c1Cc2ccc(Cl)cc2 Amb24101750 [1,0,0,0,0,1|0,0,0]=2 85 B18R2.94086 Cc1ccc(Cc2c(Cl)[n]c(N)[n]c2C)cc1 Amb22292194 [1,0,0,0,0,1|2,0,0]=4 86 B18R2.94086 Cc1ccc(Cc2c(N)[n]c(N)[n]c2N)cc1 Amb24312189 [1,0,0,0,0,1|2,0,0]=4 87 B18R2.94086 Cc1ccc(Cc2c(O)[n]c(N)[n]c2C)cc1 Amb24115959 [1,0,0,0,0,1|2,0,0]=4 88 B18R2.94086 Nc1[n]c(N)c(Cc2ccc(Cl)cc2)c(N)[n]1 Amb20182418 [1,0,0,0,0,1|1,0,0]=3