data/logP/sampl6_experimental.csv

Molecule ID,logP mean,logP SEM,Assay Type,Experimental ID,Isomeric SMILES
SM02,4.09,0.03,pH-metric octanol logP,M02,c1ccc2c(c1)c(ncn2)Nc3cccc(c3)C(F)(F)F
SM04,3.98,0.03,pH-metric octanol logP,M04,c1ccc2c(c1)c(ncn2)NCc3ccc(cc3)Cl
SM07,3.21,0.04,pH-metric octanol logP,M07,c1ccc(cc1)CNc2c3ccccc3ncn2
SM08,3.10,0.03,pH-metric octanol logP (predose 80 uL octanol),M08,Cc1ccc2c(c1)c(c(c(=O)[nH]2)CC(=O)O)c3ccccc3
SM09,3.03,0.07,pH-metric octanol logP,M09,COc1cccc(c1)Nc2c3ccccc3ncn2.Cl
SM11,2.10,0.04,pH-metric octanol logP,M11,c1ccc(cc1)n2c3c(cn2)c(ncn3)N
SM12,3.83,0.03,pH-metric octanol logP,M12,c1ccc2c(c1)c(ncn2)Nc3cccc(c3)Cl.Cl
SM13,2.92,0.04,pH-metric octanol logP (predose 100 uL octanol),M13,Cc1cccc(c1)Nc2c3cc(c(cc3ncn2)OC)OC
SM14,1.95,0.03,pH-metric octanol logP,M15,c1ccc(cc1)n2cnc3c2ccc(c3)N
SM15,3.07,0.03,pH-metric octanol logP,M16,c1ccc2c(c1)ncn2c3ccc(cc3)O
SM16,2.62,0.01,pH-metric octanol logP (predose 100 uL octanol),M18,c1cc(c(c(c1)Cl)C(=O)Nc2ccncc2)Cl