label,smiles,Average IC50 (nM),Average Ki (nM),MIC Lower Bound (µg/mL),MIC Upper Bound (µg/mL)
11a,CCCC1c2ccccc2C=NN1C(=O)/C=C/c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,6.3,1.2,0.0625,0.25
11b,COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3C2C(C)C)c1OC,5.5,1.1,0.0469,0.0938
11c,COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3C2CCC(F)(F)F)c1OC,8.7,1.7,0.0938,0.1875
11d,COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3C2CC(C)C)c1OC,8.2,1.6,0.0938,0.25
11e,COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3C2C=C(C)C)c1OC,9.2,1.8,0.125,0.25
11f,CCC(CC)C1c2ccccc2C=NN1C(=O)/C=C/c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,13.1,2.6,0.5, 0.5
11g,COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3C2C2CCCCC2)c1OC,4.6,0.9,0.1875,0.375
11h,COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3C2c2ccccc2)c1OC,4.1,0.8,0.125,0.25
11i,COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3C2c2ccccc2C)c1OC,5.8,1.1,0.125,0.25
11j,COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3C2c2ccc(C)cc2)c1OC,8.4,1.7,0.0469,0.1875
11k,COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3C2c2cc(C)cc(C)c2)c1OC,7.2,1.4,0.25,0.25
11l,COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3C2c2cccc(F)c2)c1OC,4.8,0.9,0.125,0.125
11m,COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3C2c2ccc(F)cc2)c1OC,5.7,1.1,0.125,0.375
11n,COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3C2Cc2ccccc2)c1OC,7.0,1.4,0.25,0.5
11o,COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3C2Cc2ccc(C)cc2)c1OC,11.6,2.3,0.5,0.5
11p,COc1ccc(CC2c3ccccc3C=NN2C(=O)/C=C/c2cc(Cc3cnc(N)nc3N)cc(OC)c2OC)cc1,6.3,1.2,0.5,0.5
11q,COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3ccccc3C2Cc2ccc(OC(F)(F)F)cc2)c1OC,9.6,1.9,1,1
12a,CCC1c2cc(OC)c(OC)cc2C=NN1C(=O)/C=C/c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,7.7,1.5,1,1
12b,CCCC1c2cc(OC)c(OC)cc2C=NN1C(=O)/C=C/c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,5.8,1.1,1,1
12c,COc1cc2c(cc1OC)C(C1CC1)N(C(=O)/C=C/c1cc(Cc3cnc(N)nc3N)cc(OC)c1OC)N=C2,3.3,0.7,1,1
12d,C=CC1c2cc(OC)c(OC)cc2C=NN1C(=O)/C=C/c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,6.7,1.3,0.5,1
12e,COc1cc2c(cc1OC)C(C=C(C)C)N(C(=O)/C=C/c1cc(Cc3cnc(N)nc3N)cc(OC)c1OC)N=C2,6.3,1.2,0.5,0.5
12f,COc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)/C=C/c1cc(Cc3cnc(N)nc3N)cc(OC)c1OC)N=C2,5.6,1.1,0.5,0.5
12g,COc1cc2c(cc1OC)C(c1ccccc1C)N(C(=O)/C=C/c1cc(Cc3cnc(N)nc3N)cc(OC)c1OC)N=C2,4.5,0.9,1,1
12h,CCc1ccccc1C1c2cc(OC)c(OC)cc2C=NN1C(=O)/C=C/c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,4.5,0.9,1,1
12i,COc1cc2c(cc1OC)C(c1ccccc1OC)N(C(=O)/C=C/c1cc(Cc3cnc(N)nc3N)cc(OC)c1OC)N=C2,5.4,1.1,0.5,0.5
12j,COc1ccc(C2c3cc(OC)c(OC)cc3C=NN2C(=O)/C=C/c2cc(Cc3cnc(N)nc3N)cc(OC)c2OC)cc1,5.2,1.0,0.5,0.5
13a,CCC1c2cc(C)c(C)cc2C=NN1C(=O)/C=C/c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,8.4,1.7,0.5,1
13b,CCCC1c2cc(C)c(C)cc2C=NN1C(=O)/C=C/c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,6.1,1.2,0.5,1
13c,COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3cc(C)c(C)cc3C2C2CC2)c1OC,5.2,1.0,0.5,0.5
13d,C=CC1c2cc(C)c(C)cc2C=NN1C(=O)/C=C/c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,7.2,1.4,0.5,0.5
13e,COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3cc(C)c(C)cc3C2C=C(C)C)c1OC,7.4,1.5,0.5,0.5
13f,COc1cc(Cc2cnc(N)nc2N)cc(/C=C/C(=O)N2N=Cc3cc(C)c(C)cc3C2c2ccccc2)c1OC,6.1,1.2,0.5,0.5