Molecule,Canonical SMILES,Formula,MW,#Heavy atoms,#Aromatic heavy atoms,Fraction Csp3,#Rotatable bonds,#H-bond acceptors,#H-bond donors,MR,TPSA,iLOGP,XLOGP3,WLOGP,MLOGP,Silicos-IT Log P,Consensus Log P,ESOL Log S,ESOL Solubility (mg/ml),ESOL Solubility (mol/l),ESOL Class,Ali Log S,Ali Solubility (mg/ml),Ali Solubility (mol/l),Ali Class,Silicos-IT LogSw,Silicos-IT Solubility (mg/ml),Silicos-IT Solubility (mol/l),Silicos-IT class,GI absorption,BBB permeant,Pgp substrate,CYP1A2 inhibitor,CYP2C19 inhibitor,CYP2C9 inhibitor,CYP2D6 inhibitor,CYP3A4 inhibitor,log Kp (cm/s),Lipinski #violations,Ghose #violations,Veber #violations,Egan #violations,Muegge #violations,Bioavailability Score,PAINS #alerts,Brenk #alerts,Leadlikeness #violations,Synthetic Accessibility
Molecule 1,Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,C15H10O5,270.24,20,16,0,1,5,3,73.99,90.9,1.89,3.02,2.58,0.52,2.52,2.11,-3.94,3.07E-02,1.14E-04,Soluble,-4.59,6.88E-03,2.55E-05,Moderately soluble,-4.4,1.07E-02,3.94E-05,Moderately soluble,High,No,No,Yes,No,No,Yes,Yes,-5.8,0,0,0,0,0,0.55,0,0,0,2.96
