Datasets:

jablonkagroup
/

qmof_gcmc

@article{Rosen_2021,
  doi = {10.1016/j.matt.2021.02.015},
  url = {https://doi.org/10.1016%2Fj.matt.2021.02.015},
  year = 2021,
  month = {may},
  publisher = {Elsevier {BV}},
  volume = {4},
  number = {5},
  pages = {1578--1597},
  author = {Andrew S. Rosen and Shaelyn M. Iyer and Debmalya Ray and Zhenpeng Yao and Al{\'{a}}n Aspuru-Guzik and Laura Gagliardi and Justin M. Notestein and Randall Q. Snurr},
  title = {Machine learning the quantum-chemical properties of metal{\textendash}organic frameworks for accelerated materials discovery},
  journal = {Matter}
}
@article{Rosen_2022,
  doi = {10.1038/s41524-022-00796-6},
  url = {https://doi.org/10.1038%2Fs41524-022-00796-6},
  year = 2022,
  month = {may},
  publisher = {Springer Science and Business Media {LLC}},
  volume = {8},
  number = {1},
  author = {Andrew S. Rosen and Victor Fung and Patrick Huck and Cody T. O'Donnell and Matthew K. Horton and Donald G. Truhlar and Kristin A. Persson and Justin M. Notestein and Randall Q. Snurr},
  title = {High-throughput predictions of metal{\textendash}organic framework electronic properties: theoretical challenges, graph neural networks, and data exploration},
  journal = {npj Comput Mater}
}
@article{Jablonka_2023,
  doi = {10.1021/acscentsci.2c01177},
  url = {https://doi.org/10.1021%2Facscentsci.2c01177},
  year = 2023,
  month = {mar},
  publisher = {American Chemical Society ({ACS})},
  volume = {9},
  number = {4},
  pages = {563--581},
  author = {Kevin Maik Jablonka and Andrew S. Rosen and Aditi S. Krishnapriyan and Berend Smit},
  title = {An Ecosystem for Digital Reticular Chemistry},
  journal = {ACS Cent. Sci.} Central Science}
}

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text stringlengths 205 336	input stringlengths 205 336	answer_choices sequencelengths 0 0	correct_output_index float64
The MOF with the RCSR code pcu, linker SMILES [O-]C(=O)c1ccc2c(c1)ccc(c2)C(=O)[O-], n1ccc(cc1)c1[nH]nc(n1)c1cccc(n1)c1n[nH]c(n1)c1ccncc1, and node SMILES [Cd] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -2.908 mol/kg/Pa.	The MOF with the RCSR code pcu, linker SMILES [O-]C(=O)c1ccc2c(c1)ccc(c2)C(=O)[O-], n1ccc(cc1)c1[nH]nc(n1)c1cccc(n1)c1n[nH]c(n1)c1ccncc1, and node SMILES [Cd] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -2.908 mol/kg/Pa.	[]	null
The metal-organic framework (MOF) with the RCSR identifier pcu, linker SMILES N1CCNCC1, [O-]C(=O)c1ccc(s1)C(=O)[O-], and node SMILES [Zn][Zn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.448 mol/kg/Pa.	The metal-organic framework (MOF) with the RCSR identifier pcu, linker SMILES N1CCNCC1, [O-]C(=O)c1ccc(s1)C(=O)[O-], and node SMILES [Zn][Zn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.448 mol/kg/Pa.	[]	null
The reticular material with the RCSR code sql, linker SMILES [N]([CH]c1ccncc1)[N][CH]c1ccncc1, and node SMILES [Zn] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -3.146 mol/kg/Pa.	The reticular material with the RCSR code sql, linker SMILES [N]([CH]c1ccncc1)[N][CH]c1ccncc1, and node SMILES [Zn] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -3.146 mol/kg/Pa.	[]	null
The metal-organic framework (MOF) with the net sql, linker SMILES [O-]C(=O)c1cccc(c1)C(=O)[O-], and node SMILES [OH2][Cu][Cu][OH2] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -3.815 mol/kg/Pa.	The metal-organic framework (MOF) with the net sql, linker SMILES [O-]C(=O)c1cccc(c1)C(=O)[O-], and node SMILES [OH2][Cu][Cu][OH2] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -3.815 mol/kg/Pa.	[]	null
The reticular material with the RCSR identifier pcu, linker SMILES [O-]C(=O)c1ccc2c(c1)ccc(c2)C(=O)[O-], n1ccc(cc1)c1ccncc1, and node SMILES [Fe] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -3.258 mol/kg/Pa.	The reticular material with the RCSR identifier pcu, linker SMILES [O-]C(=O)c1ccc2c(c1)ccc(c2)C(=O)[O-], n1ccc(cc1)c1ccncc1, and node SMILES [Fe] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -3.258 mol/kg/Pa.	[]	null
The MOF with the net ttp, linker SMILES [O-]C(=O)c1ccc(o1)C(=O)[O-], and node SMILES [Dy] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.208 mol/kg/Pa.	The MOF with the net ttp, linker SMILES [O-]C(=O)c1ccc(o1)C(=O)[O-], and node SMILES [Dy] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.208 mol/kg/Pa.	[]	null
The reticular material with the net nbo, linker SMILES CC(=O)[CH]C(=O)c1ccc(cc1)c1ccncc1, and node SMILES [Zn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.703 mol/kg/Pa.	The reticular material with the net nbo, linker SMILES CC(=O)[CH]C(=O)c1ccc(cc1)c1ccncc1, and node SMILES [Zn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.703 mol/kg/Pa.	[]	null
The reticular material with the net pcu, linker SMILES [O-]C(=O)c1ccc2-c3c(Cc2c1)cc(cc3)C(=O)[O-], n1ccc(cc1)c1ccncc1, and node SMILES [Zn][Zn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.129 mol/kg/Pa.	The reticular material with the net pcu, linker SMILES [O-]C(=O)c1ccc2-c3c(Cc2c1)cc(cc3)C(=O)[O-], n1ccc(cc1)c1ccncc1, and node SMILES [Zn][Zn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.129 mol/kg/Pa.	[]	null
The metal-organic framework (MOF) with the RCSR code dia, linker SMILES [O-]C(=O)c1ccc(cc1)n1ccnc1C, and node SMILES [Cd] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -3.949 mol/kg/Pa.	The metal-organic framework (MOF) with the RCSR code dia, linker SMILES [O-]C(=O)c1ccc(cc1)n1ccnc1C, and node SMILES [Cd] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -3.949 mol/kg/Pa.	[]	null
The reticular material with the RCSR code hcb, linker SMILES [O-]C(=O)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-], and node SMILES [O][U][O] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.019 mol/kg/Pa.	The reticular material with the RCSR code hcb, linker SMILES [O-]C(=O)c1cc(cc(c1)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-], and node SMILES [O][U][O] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.019 mol/kg/Pa.	[]	null
The metal-organic framework (MOF) with the RCSR code dia, linker SMILES [O-]C(=O)c1ccc(cc1)n1ccnc1C, and node SMILES [Cd] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -3.756 mol/kg/Pa.	The metal-organic framework (MOF) with the RCSR code dia, linker SMILES [O-]C(=O)c1ccc(cc1)n1ccnc1C, and node SMILES [Cd] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -3.756 mol/kg/Pa.	[]	null
The metal-organic framework with the RCSR code sql, linker SMILES [O-]C(=O)c1cccc(c1)c1ccncc1, and node SMILES [Zn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -3.720 mol/kg/Pa.	The metal-organic framework with the RCSR code sql, linker SMILES [O-]C(=O)c1cccc(c1)c1ccncc1, and node SMILES [Zn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -3.720 mol/kg/Pa.	[]	null
The metal-organic framework with the RCSR identifier neb, linker SMILES [O-]C(=O)C=CC=CC(=O)[O-], n1ccc(cc1)CCc1ccncc1, and node SMILES [OH2][Ni][OH2] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.414 mol/kg/Pa.	The metal-organic framework with the RCSR identifier neb, linker SMILES [O-]C(=O)C=CC=CC(=O)[O-], n1ccc(cc1)CCc1ccncc1, and node SMILES [OH2][Ni][OH2] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.414 mol/kg/Pa.	[]	null
The metal-organic framework (MOF) with the RCSR identifier dmd, linker SMILES COc1cc(C=CC(=O)[O-])ccc1[O], and node SMILES [Zn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.262 mol/kg/Pa.	The metal-organic framework (MOF) with the RCSR identifier dmd, linker SMILES COc1cc(C=CC(=O)[O-])ccc1[O], and node SMILES [Zn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.262 mol/kg/Pa.	[]	null
The reticular material with the RCSR identifier dia, linker SMILES [O-]C(=O)c1ccc(nc1)c1ccncc1, and node SMILES [Ni] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.049 mol/kg/Pa.	The reticular material with the RCSR identifier dia, linker SMILES [O-]C(=O)c1ccc(nc1)c1ccncc1, and node SMILES [Ni] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.049 mol/kg/Pa.	[]	null
The metal-organic framework (MOF) with the net lvt, linker SMILES [O-]C(=O)c1ccc(cc1)C=Cc1ccncc1, and node SMILES [Cu] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.518 mol/kg/Pa.	The metal-organic framework (MOF) with the net lvt, linker SMILES [O-]C(=O)c1ccc(cc1)C=Cc1ccncc1, and node SMILES [Cu] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.518 mol/kg/Pa.	[]	null
The metal-organic framework with the RCSR code nbo-a, linker SMILES [O-]C(=O)c1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C(=O)[O-])c1ccccn1, and node SMILES [Zn] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -4.050 mol/kg/Pa.	The metal-organic framework with the RCSR code nbo-a, linker SMILES [O-]C(=O)c1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C(=O)[O-])c1ccccn1, and node SMILES [Zn] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -4.050 mol/kg/Pa.	[]	null
The reticular material with the topology sql, linker SMILES [O-]C(=O)C=Cc1cccnc1, and node SMILES [Co][OH]([Co][OH]([Co])[Co])[Co] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -3.455 mol/kg/Pa.	The reticular material with the topology sql, linker SMILES [O-]C(=O)C=Cc1cccnc1, and node SMILES [Co][OH]([Co][OH]([Co])[Co])[Co] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -3.455 mol/kg/Pa.	[]	null
The MOF with the RCSR identifier dia, linker SMILES [O-]C(=O)c1ccc(cc1)n1ccnc1C, and node SMILES [Cd] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -3.847 mol/kg/Pa.	The MOF with the RCSR identifier dia, linker SMILES [O-]C(=O)c1ccc(cc1)n1ccnc1C, and node SMILES [Cd] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -3.847 mol/kg/Pa.	[]	null
The reticular material with the net hex, linker SMILES [O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-], n1ccc(cc1)c1ccncc1, and node SMILES [Zn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -3.762 mol/kg/Pa.	The reticular material with the net hex, linker SMILES [O-]C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-], n1ccc(cc1)c1ccncc1, and node SMILES [Zn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -3.762 mol/kg/Pa.	[]	null
The metal-organic framework with the net dia, linker SMILES n1ccc(cc1)c1nnc(nn1)c1ccncc1, and node SMILES Br[Cu]1[S]2[Cu]3[W]4562[S]1[Cu]4[S]6[Cu]([S]35)Br has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.362 mol/kg/Pa.	The metal-organic framework with the net dia, linker SMILES n1ccc(cc1)c1nnc(nn1)c1ccncc1, and node SMILES Br[Cu]1[S]2[Cu]3[W]4562[S]1[Cu]4[S]6[Cu]([S]35)Br has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.362 mol/kg/Pa.	[]	null
The reticular material with the RCSR code nbo, linker SMILES c1cnc(cn1)C1=NC(=N[N]1)c1ccncc1, c1cnc(cn1)C1=N[N]C(=N1)c1ccncc1, n1ccc(cc1)C1=[N]=C(N=N1)c1cnccn1, and node SMILES [Co] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -4.255 mol/kg/Pa.	The reticular material with the RCSR code nbo, linker SMILES c1cnc(cn1)C1=NC(=N[N]1)c1ccncc1, c1cnc(cn1)C1=N[N]C(=N1)c1ccncc1, n1ccc(cc1)C1=[N]=C(N=N1)c1cnccn1, and node SMILES [Co] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -4.255 mol/kg/Pa.	[]	null
The reticular material with the net nbo, linker SMILES [O-]C(=O)c1ccc2c(c1)c[n-][nH]2, and node SMILES [Cu] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -5.125 mol/kg/Pa.	The reticular material with the net nbo, linker SMILES [O-]C(=O)c1ccc2c(c1)c[n-][nH]2, and node SMILES [Cu] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -5.125 mol/kg/Pa.	[]	null
The metal-organic framework with the RCSR code dia, linker SMILES OC(=O)c1c(cc(nc1c1ccncc1)c1ccncc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], and node SMILES [Co] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -3.409 mol/kg/Pa.	The metal-organic framework with the RCSR code dia, linker SMILES OC(=O)c1c(cc(nc1c1ccncc1)c1ccncc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O-])C(=O)[O-], and node SMILES [Co] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -3.409 mol/kg/Pa.	[]	null
The metal-organic framework (MOF) with the RCSR identifier fsc, linker SMILES [O-]C(=O)c1cc(C(=O)[O-])c(cc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-], n1ccc(cc1)c1ccc(cc1)c1ccncc1, and node SMILES [Zn][Zn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.422 mol/kg/Pa.	The metal-organic framework (MOF) with the RCSR identifier fsc, linker SMILES [O-]C(=O)c1cc(C(=O)[O-])c(cc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-], n1ccc(cc1)c1ccc(cc1)c1ccncc1, and node SMILES [Zn][Zn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.422 mol/kg/Pa.	[]	null
The MOF with the RCSR code pcu, linker SMILES [O-]C(=O)c1cc(N(=O)=O)c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])N(=O)=O, and node SMILES [Gd] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -4.442 mol/kg/Pa.	The MOF with the RCSR code pcu, linker SMILES [O-]C(=O)c1cc(N(=O)=O)c(c(c1)N(=O)=O)c1c(cc(cc1N(=O)=O)C(=O)[O-])N(=O)=O, and node SMILES [Gd] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -4.442 mol/kg/Pa.	[]	null
The reticular material with the RCSR code hex, linker SMILES CC1=N[N]N[N]1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], and node SMILES [Zn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.050 mol/kg/Pa.	The reticular material with the RCSR code hex, linker SMILES CC1=N[N]N[N]1, [O-]C(=O)c1ccc(cc1)C(=O)[O-], and node SMILES [Zn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.050 mol/kg/Pa.	[]	null
The metal-organic framework (MOF) with the net pts, linker SMILES n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, and node SMILES [Cd] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -3.566 mol/kg/Pa.	The metal-organic framework (MOF) with the net pts, linker SMILES n1ccc(cc1)OCC(COc1ccncc1)(COc1ccncc1)COc1ccncc1, and node SMILES [Cd] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -3.566 mol/kg/Pa.	[]	null
The reticular material with the net nbo, linker SMILES O=C(c1cccnc1)c1cccnc1, and node SMILES [Ag][Ag] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -5.157 mol/kg/Pa.	The reticular material with the net nbo, linker SMILES O=C(c1cccnc1)c1cccnc1, and node SMILES [Ag][Ag] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -5.157 mol/kg/Pa.	[]	null
The metal-organic framework (MOF) with the RCSR code pcu, linker SMILES O=C(c1ccncc1)Nc1ccc(cc1)NC(=O)c1ccncc1, [O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-], and node SMILES [Zn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.065 mol/kg/Pa.	The metal-organic framework (MOF) with the RCSR code pcu, linker SMILES O=C(c1ccncc1)Nc1ccc(cc1)NC(=O)c1ccncc1, [O-]C(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)[O-], and node SMILES [Zn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.065 mol/kg/Pa.	[]	null
The metal-organic framework with the topology fsc, linker SMILES [O-]C(=O)c1ccc(cc1)c1cc(c2ccc(cc2)C(=O)[O-])c(cc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-], n1ccc(cc1)c1ccncc1, and node SMILES [Zn][Zn] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -3.894 mol/...	The metal-organic framework with the topology fsc, linker SMILES [O-]C(=O)c1ccc(cc1)c1cc(c2ccc(cc2)C(=O)[O-])c(cc1c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-], n1ccc(cc1)c1ccncc1, and node SMILES [Zn][Zn] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -3.894 mol/...	[]	null
The MOF with the topology nia-d, linker SMILES [O-]C(=O)c1ccc(cc1)C(=O)[O-], n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1, and node SMILES [Mn][O]([Mn])[Mn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.120 mol/kg/Pa.	The MOF with the topology nia-d, linker SMILES [O-]C(=O)c1ccc(cc1)C(=O)[O-], n1ccc(cc1)C1=NC(=[N]=C([N]1)c1ccncc1)c1ccncc1, and node SMILES [Mn][O]([Mn])[Mn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.120 mol/kg/Pa.	[]	null
The MOF with the RCSR identifier rtl, linker SMILES O=C(c1ccncc1)Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-], and node SMILES [Cu][Cu] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -3.694 mol/kg/Pa.	The MOF with the RCSR identifier rtl, linker SMILES O=C(c1ccncc1)Nc1cc(cc(c1)C(=O)[O-])C(=O)[O-], and node SMILES [Cu][Cu] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -3.694 mol/kg/Pa.	[]	null
The metal-organic framework (MOF) with the RCSR code uni, linker SMILES O=c1ccn(cc1)c1cccc(c1C(=O)[O-])C(=O)[O-], c1ncn(c1)Cc1ccc(cc1)Cn1cncc1, and node SMILES [Cd] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.698 mol/kg/Pa.	The metal-organic framework (MOF) with the RCSR code uni, linker SMILES O=c1ccn(cc1)c1cccc(c1C(=O)[O-])C(=O)[O-], c1ncn(c1)Cc1ccc(cc1)Cn1cncc1, and node SMILES [Cd] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.698 mol/kg/Pa.	[]	null
The MOF with the net sql, linker SMILES [O-]C(=O)c1cc(cc(c1)S(O)([O])[O])C(=O)[O-], [O-]C(=O)c1cc(cc(c1)S([O])([O])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, and node SMILES [Zn] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -4.150 mol/kg/Pa.	The MOF with the net sql, linker SMILES [O-]C(=O)c1cc(cc(c1)S(O)([O])[O])C(=O)[O-], [O-]C(=O)c1cc(cc(c1)S([O])([O])O)C(=O)[O-], n1ccc(cc1)c1ccncc1, and node SMILES [Zn] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -4.150 mol/kg/Pa.	[]	null
The MOF with the RCSR identifier lon, linker SMILES [O-]C(=O)c1cc(NC2=NC(=[N]=C([N]2)Nc2cc(cc(c2)C(=O)[O-])C(=O)[O-])Nc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], and node SMILES [Gd] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -3.598 mol/kg/Pa.	The MOF with the RCSR identifier lon, linker SMILES [O-]C(=O)c1cc(NC2=NC(=[N]=C([N]2)Nc2cc(cc(c2)C(=O)[O-])C(=O)[O-])Nc2cc(cc(c2)C(=O)[O-])C(=O)[O-])cc(c1)C(=O)[O-], and node SMILES [Gd] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -3.598 mol/kg/Pa.	[]	null
The reticular material with the net sql, linker SMILES [O-]C(=O)c1cccc(c1)c1cc(c2cccc(c2)C(=O)[O-])c2c3c1ccc1c3c(cc2)c(cc1c1cccc(c1)C(=O)[O-])c1cccc(c1)C(=O)[O-], and node SMILES [Zn][Zn] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -3.400 mol/kg/Pa.	The reticular material with the net sql, linker SMILES [O-]C(=O)c1cccc(c1)c1cc(c2cccc(c2)C(=O)[O-])c2c3c1ccc1c3c(cc2)c(cc1c1cccc(c1)C(=O)[O-])c1cccc(c1)C(=O)[O-], and node SMILES [Zn][Zn] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -3.400 mol/kg/Pa.	[]	null
The MOF with the topology dmd, linker SMILES C[C]1N=NC(=C1c1ccc(cc1)C(=O)[O-])C, and node SMILES [Zn] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -4.560 mol/kg/Pa.	The MOF with the topology dmd, linker SMILES C[C]1N=NC(=C1c1ccc(cc1)C(=O)[O-])C, and node SMILES [Zn] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -4.560 mol/kg/Pa.	[]	null
The MOF with the RCSR identifier sql, linker SMILES [C][C]1c2c1c(ccn2)c1ccnc2c1[C]2[C], [O-]C(=O)C1CC(CC(C1)C(=O)[O-])C(=O)[O-], and node SMILES [Zn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.045 mol/kg/Pa.	The MOF with the RCSR identifier sql, linker SMILES [C][C]1c2c1c(ccn2)c1ccnc2c1[C]2[C], [O-]C(=O)C1CC(CC(C1)C(=O)[O-])C(=O)[O-], and node SMILES [Zn] has a 10-based logarithm of CO2 Henry coefficient (computed using grand canonical Monte Carlo) of -4.045 mol/kg/Pa.	[]	null
The reticular material with the RCSR identifier dia, linker SMILES [O-]C(=O)c1ccc(cc1)N1[N]C=N[CH]1, and node SMILES [Cd] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -3.715 mol/kg/Pa.	The reticular material with the RCSR identifier dia, linker SMILES [O-]C(=O)c1ccc(cc1)N1[N]C=N[CH]1, and node SMILES [Cd] has a 10-based logarithm of carbon dioxide Henry coefficient (computed using grand canonical Monte Carlo) of -3.715 mol/kg/Pa.	[]	null