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Components: Number of components of the entry Mass: Average molecular mass calculated from the atomic masses of all isotopes weighted by their natural occurrence Chiral centers: Number of chiral centers R/S chiral centers: Number of chiral centers with R or S configurations Unknown chiral centers: Number of chiral centers with unknown configuration Undefined chiral centers: Number of chiral centers with undefined configuration Stereo double bonds: Number of stereo double bonds cis-trans stereo double bonds: Number of stereo double bonds with cis or trans configuration Unknown stereo double bonds: Number of stereo double bonds with unknown configuration Undefined stereo double bonds: Number of stereo double bonds with undefined configuration Atoms: Number of atoms Heavy atoms: Number of heavy atoms Hydrogen atoms: Number of H atoms Heteroatoms: Number of atoms except C and H atoms N/O atoms: Number of N and O atoms Inorganic atoms: Number of atoms except H, C, N, O, S, P, F, Cl, Br, I and B atoms Halogen atoms: Number of F, Cl, Br and I atoms logP: Logarithm of the octanol/water partition coefficient PSA: Polar surface area Refractivity: Molar refractivity Rings: Number of rings Rotatable bonds: Number of rotatable bonds H-bond donors: Number of H-bond donors H-bond acceptors: Number of H-bond acceptors RO5 violations: Number of rule-of-five (link) violations RO3 violations: Number of rule-of-three (link) violations