opendatalab/MolRecBench-Wild · Datasets at Hugging Face

id stringlengths 38 51	hardcase_label listlengths 0 20	symbols listlengths 1 250	charges listlengths 1 250	radicals listlengths 1 250	valences listlengths 1 250	isotopes listlengths 1 250	attach_points listlengths 1 250	coords listlengths 1 250	bonds listlengths 0 291	brackets listlengths 0 5	source null
10.1039_d4gc04032e_12_figure_1_mol_8.jpg	[ "Blurry or Unclear Image", "Special Bond", "Special Bond Format", "Wavy Bond", "Other Issues Present" ]	[ "C", "C", "C", "C" ]	[ null, null, null, null ]	[ null, null, null, null ]	[ null, null, null, null ]	[ null, null, null, null ]	[ 1, null, null, null ]	[ [ 4.6821, -3.4 ], [ 5.5481, -3.9 ], [ 6.4141, -3.4 ], [ 7.2801, -3.9 ] ]	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 2, 3, 1 ] ]	[]	null
10.1039_d4gc04032e_14_figure_0_mol_0.jpg	[ "Contamination Information", "Special Bond Format", "Special Atom/Ion/Functional Group Format", "Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics", "Colored Background on Bonds", "Colored Background, Bold, Colored Text" ]	[ "C", "C", "C", "O", "O", "C", "O", "C", "C", "C", "C", "O", "C", "O", "C", "O" ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ [ 13.625, -8.05 ], [ 14.491, -8.55 ], [ 15.4421, -8.241 ], [ 15.7511, -7.2899 ], [ 16.0299, -9.05 ], [ 15.4421, -9.859 ], [ 15.7511, -10.8101 ], [ 14.491, -9.55 ], [ 13.625, -10.05 ], [ 12.759, -9.55 ...	[ [ 0, 1, 2 ], [ 0, 14, 1 ], [ 1, 2, 1 ], [ 1, 7, 1 ], [ 2, 3, 2 ], [ 2, 4, 1 ], [ 4, 5, 1 ], [ 5, 6, 2 ], [ 5, 7, 1 ], [ 7, 8, 2 ], [ 8, 9, 1 ]...	[]	null
10.1039_d4gc04032e_15_figure_1_mol_8.jpg	[ "Contamination Information", "Special Atom/Ion/Functional Group", "Charge Symbol", "Additional Information at Screenshot Boundary" ]	[ "[NMe2]", "C", "[NMe2]", "N" ]	[ null, null, null, 1 ]	[ null, null, null, null ]	[ null, null, null, null ]	[ null, null, null, null ]	[ null, null, null, null ]	[ [ 13.8049, -8.455 ], [ 13.3049, -9.321 ], [ 13.8049, -10.187 ], [ 12.3049, -9.321 ] ]	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 1, 3, 2 ] ]	[]	null
10.1039_d4gc04032e_16_figure_0_mol_3.jpg	[ "Special Molecular Structure", "Special Bond", "Equal-width Chiral Bond", "Polymer" ]	[ "C", "C", "C", "C", "C", "O", "", "[RO]", "C", "[OR]", "[OR]", "O", "" ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ [ 12.6856, -9.5249 ], [ 11.9212, -9.2523 ], [ 10.8086, -9.6515 ], [ 10.3144, -8.7775 ], [ 11.1348, -9.0502 ], [ 12.1939, -8.6485 ], [ 8.8983, -9.3775 ], [ 9.8427, -9.3927 ], [ 10.4277, -8.3431 ], [ 10.427...	[ [ 0, 1, 5 ], [ 1, 2, 15 ], [ 4, 5, 1 ], [ 5, 0, 1 ], [ 3, 2, 5 ], [ 3, 6, 1 ], [ 2, 7, 1 ], [ 3, 4, 1 ], [ 4, 8, 1 ], [ 8, 9, 1 ], [ 1, 10, 1 ...	[ { "alias": "n", "atoms": [ 0, 1, 2, 3, 4, 5, 7, 8, 9, 10, 11 ], "display_rects": [ [ 9.6166, -9.8275, 9.5961, -8.3276 ], [ 14.0743, -8.2662, 14.0949, -9...	null
10.1039_d4gc04032e_17_figure_0_mol_3.jpg	[ "Contamination Information", "Special Atom/Ion/Functional Group", "Additional Information at Screenshot Boundary", "Charge Symbol" ]	[ "C", "C", "C", "N", "C", "N", "H", "C", "C", "C", "C", "C" ]	[ null, null, null, null, null, 1, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ [ 10.567, -8.9498 ], [ 11.0009, -8.0488 ], [ 11.9758, -7.8263 ], [ 12.7577, -8.4498 ], [ 12.7577, -9.4498 ], [ 13.6237, -9.9498 ], [ 14.0487, -10.8748 ], [ 14.4897, -9.4498 ], [ 14.4897, -8.4498 ], [ 13.6...	[ [ 0, 1, 1 ], [ 0, 11, 1 ], [ 1, 2, 1 ], [ 2, 3, 1 ], [ 3, 4, 1 ], [ 3, 9, 1 ], [ 4, 5, 2 ], [ 4, 10, 1 ], [ 5, 6, 1 ], [ 5, 7, 1 ], [ 7, 8, 1 ...	[]	null
10.1039_d4gc04032e_20_figure_0_mol_5.jpg	[ "Blurry or Unclear Image" ]	[ "C", "C", "O", "C", "O", "C", "C", "O", "C", "O" ]	[ null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null ]	[ [ 6.8509, -8.5637 ], [ 7.7169, -9.0637 ], [ 8.583, -8.5637 ], [ 9.449, -9.0637 ], [ 10.315, -8.5637 ], [ 9.449, -10.0637 ], [ 10.315, -10.5637 ], [ 8.583, -10.5637 ], [ 7.7169, -10.0637 ], [ 6.8509, -...	[ [ 1, 2, 1 ], [ 1, 8, 1 ], [ 2, 3, 1 ], [ 3, 4, 2 ], [ 3, 5, 1 ], [ 5, 7, 1 ], [ 7, 8, 1 ], [ 8, 9, 2 ], [ 1, 0, 5 ], [ 5, 6, 5 ] ]	[]	null
10.1039_d4gc04032e_4_figure_2_mol_1.jpg	[ "Special Bond", "Special Atom/Ion/Functional Group", "With Numbering", "Equal-width Chiral Bond" ]	[ "C", "[MeO]", "C", "O", "C", "O", "C", "[OMe]", "O", "C", "C", "O" ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ [ 6.8964, -9.266 ], [ 5.7025, -9.6669 ], [ 7.5698, -10.4538 ], [ 6.4271, -10.3277 ], [ 8.8518, -10.0975 ], [ 9.4231, -11.0477 ], [ 10.1338, -10.4538 ], [ 11.2556, -10.246 ], [ 9.4998, -9.266 ], [ 8.2178, ...	[ [ 0, 1, 1 ], [ 0, 9, 1 ], [ 2, 3, 1 ], [ 2, 4, 15 ], [ 4, 5, 1 ], [ 6, 7, 1 ], [ 6, 8, 1 ], [ 8, 9, 1 ], [ 9, 10, 1 ], [ 10, 11, 1 ], [ 0, 2, 5 ...	[]	null
10.1039_d4gc04450a_1_figure_0_mol_4.jpg	[ "Special Bond Format", "Special Atom/Ion/Functional Group Format", "Colored Background on Bonds", "Colored Background, Bold, Colored Text" ]	[ "[R2]", "P", "[R1]", "O", "N", "[R3]", "[R4]" ]	[ null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null ]	[ [ 12.0699, -9.088 ], [ 13.0897, -9.0878 ], [ 13.1058, -10.0161 ], [ 13.0897, -8.0842 ], [ 14.1184, -9.0877 ], [ 14.8052, -8.4356 ], [ 14.7872, -9.74 ] ]	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 1, 3, 2 ], [ 1, 4, 1 ], [ 4, 5, 1 ], [ 4, 6, 1 ] ]	[]	null
10.1039_d4gc04450a_2_figure_0_mol_12.jpg	[ "Blurry or Unclear Image", "Special Bond Format", "Special Atom/Ion/Functional Group Format", "Colored Background, Bold, Colored Text", "Colored Background on Bonds" ]	[ "C", "C", "C", "C", "N", "C", "C", "N", "[PPh2]", "O" ]	[ null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null ]	[ [ 9.0001, -5.1402 ], [ 8.9996, -3.4098 ], [ 8.5, -4.2734 ], [ 10.0005, -3.4098 ], [ 10.005, -5.1402 ], [ 10.5, -4.2712 ], [ 11.5, -4.2673 ], [ 12.0034, -5.1314 ], [ 13.0034, -5.1276 ], [ 13.0034, -4.1...	[ [ 2, 0, 1 ], [ 0, 4, 2 ], [ 4, 5, 1 ], [ 5, 3, 2 ], [ 3, 1, 1 ], [ 1, 2, 2 ], [ 5, 6, 1 ], [ 6, 7, 1 ], [ 7, 8, 1 ], [ 8, 9, 2 ] ]	[]	null
10.1039_d4gc04450a_3_figure_0_mol_4.jpg	[ "Blurry or Unclear Image", "Special Bond Format", "Special Atom/Ion/Functional Group Format", "Colored Background on Bonds", "Colored Background, Bold, Colored Text" ]	[ "N", "C", "C", "N", "C", "C", "C", "C", "[PPh2]", "O" ]	[ null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null ]	[ [ 6.0882, -4.792 ], [ 6.5882, -5.658 ], [ 7.5882, -5.658 ], [ 8.0882, -4.792 ], [ 8.0882, -6.524 ], [ 7.5882, -7.3901 ], [ 6.5882, -7.3901 ], [ 6.0882, -6.524 ], [ 9.3632, -4.792 ], [ 9.3632, -3.826 ...	[ [ 0, 1, 1 ], [ 1, 2, 2 ], [ 1, 7, 1 ], [ 2, 3, 1 ], [ 2, 4, 1 ], [ 4, 5, 2 ], [ 5, 6, 1 ], [ 6, 7, 2 ], [ 3, 8, 1 ], [ 8, 9, 2 ] ]	[]	null
10.1039_d4gc04535a_1_figure_0_mol_0.jpg	[ "Contamination Information", "Additional Information at Screenshot Boundary" ]	[ "O", "C", "O", "C", "C", "C", "O", "C", "O", "C", "O", "C" ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null ]	[ [ 7.5588, -7.8358 ], [ 8.5861, -8.3256 ], [ 9.6133, -7.8358 ], [ 8.5861, -9.3355 ], [ 9.4468, -9.8406 ], [ 9.4468, -10.8506 ], [ 10.2244, -11.3557 ], [ 8.5861, -11.3557 ], [ 8.5861, -12.3656 ], [ 7.753, ...	[ [ 0, 1, 2 ], [ 1, 2, 1 ], [ 1, 3, 1 ], [ 3, 4, 2 ], [ 3, 11, 1 ], [ 4, 5, 1 ], [ 5, 6, 1 ], [ 5, 7, 2 ], [ 7, 8, 1 ], [ 7, 9, 1 ], [ 9, 10, 1 ...	[]	null
10.1039_d4gc04699d_2_figure_0_mol_18.jpg	[ "Blurry or Unclear Image", "Special Bond Format", "Special Atom/Ion/Functional Group Format", "Colored Background on Bonds", "Colored Background, Bold, Colored Text" ]	[ "[Alkyl]", "S", "S", "[Alkyl]" ]	[ null, null, null, null ]	[ null, null, null, null ]	[ null, null, null, null ]	[ null, null, null, null ]	[ null, null, null, null ]	[ [ -0.866, -0.5 ], [ 0, 0 ], [ 0.866, -0.5 ], [ 1.7321, 0 ] ]	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 2, 3, 1 ] ]	[]	null
10.1039_d4gc04699d_2_figure_0_mol_4.jpg	[ "Special Bond Format", "Special Atom/Ion/Functional Group Format", "Colored Background on Bonds", "Bonds Too Thick", "Colored Background, Bold, Colored Text" ]	[ "[R1]", "[X]", "S", "C", "S", "N", "[R2]" ]	[ null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null ]	[ [ 11.4599, -9.8 ], [ 12.326, -9.3 ], [ 13.192, -9.8 ], [ 14.058, -9.3 ], [ 14.058, -8.3 ], [ 14.924, -9.8 ], [ 15.7901, -9.3 ] ]	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 2, 3, 1 ], [ 3, 4, 2 ], [ 3, 5, 1 ], [ 5, 6, 1 ] ]	[]	null
10.1039_d4gc04699d_3_figure_0_mol_13.jpg	[ "Special Bond Format", "Special Atom/Ion/Functional Group Format", "Colored Background on Bonds", "Colored Background, Bold, Colored Text", "Blurry or Unclear Image", "Special Bond", "Equal-width Chiral Bond" ]	[ "C", "C", "C", "S", "S", "C", "S", "N", "C", "C", "O", "C", "C" ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ [ 10.3653, -8.9592 ], [ 11.2314, -8.4592 ], [ 12.0974, -8.9592 ], [ 12.9634, -8.4592 ], [ 13.8294, -8.9592 ], [ 14.6955, -8.4592 ], [ 14.6955, -7.4592 ], [ 15.5615, -8.9592 ], [ 15.5615, -9.9592 ], [ 16.4...	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 2, 3, 1 ], [ 3, 4, 1 ], [ 4, 5, 1 ], [ 5, 6, 2 ], [ 5, 7, 1 ], [ 7, 8, 1 ], [ 7, 12, 1 ], [ 8, 9, 1 ], [ 9, 10, 1 ...	[]	null
10.1039_d4gc04699d_3_figure_0_mol_17.jpg	[ "Contamination Information", "Special Bond", "Special Bond Format", "Special Atom/Ion/Functional Group Format", "Additional Information at Screenshot Boundary", "Built-in Arrows, Dashed/Solid Boxes, Explanatory Text, Graphics", "Equal-width Chiral Bond", "Colored Background on Bonds", "Colored Backg...	[ "C", "C", "C", "C", "C", "S", "S", "C", "S", "N", "C", "C", "C", "C", "C", "C", "C" ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ [ 5.9296, -10.51 ], [ 6.7956, -10.01 ], [ 7.6617, -10.51 ], [ 8.5277, -10.01 ], [ 8.5277, -9.01 ], [ 9.3937, -8.51 ], [ 10.2597, -9.01 ], [ 11.1258, -8.51 ], [ 11.1258, -7.51 ], [ 11.9918, -9.01 ], ...	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 1, 16, 2 ], [ 2, 3, 2 ], [ 3, 4, 1 ], [ 4, 5, 1 ], [ 4, 15, 2 ], [ 5, 6, 15 ], [ 6, 7, 1 ], [ 7, 8, 2 ], [ 7, 9, 15 ...	[]	null
10.1039_d4gc04699d_3_figure_0_mol_27.jpg	[ "Special Bond", "Special Bond Format", "Special Atom/Ion/Functional Group Format", "Colored Background on Bonds", "Equal-width Chiral Bond", "Colored Background, Bold, Colored Text" ]	[ "C", "C", "N", "C", "C", "C", "S", "S", "S", "C" ]	[ null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null ]	[ [ 15.3805, -9.0137 ], [ 14.5145, -8.5137 ], [ 13.6485, -9.0137 ], [ 13.6485, -10.0137 ], [ 14.5145, -10.5137 ], [ 12.7825, -8.5137 ], [ 12.7825, -7.5137 ], [ 11.9164, -9.0137 ], [ 11.0504, -8.5137 ], [ 10...	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 2, 3, 1 ], [ 2, 5, 15 ], [ 3, 4, 1 ], [ 5, 6, 2 ], [ 5, 7, 1 ], [ 7, 8, 15 ], [ 8, 9, 1 ] ]	[]	null
10.1039_d4gc04699d_3_figure_0_mol_5.jpg	[ "Special Bond Format", "Special Atom/Ion/Functional Group Format", "Colored Background on Bonds", "Colored Background, Bold, Colored Text", "Blurry or Unclear Image", "Special Bond", "Equal-width Chiral Bond" ]	[ "S", "C", "S", "S", "C", "C", "C", "C", "Cl", "C", "C", "N", "C", "C", "C", "C", "C" ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null ]	[ [ 9.4133, -7.6 ], [ 9.4133, -8.6 ], [ 8.5473, -9.1 ], [ 7.6812, -8.6 ], [ 6.8152, -9.1 ], [ 6.8152, -10.1 ], [ 5.9492, -10.6 ], [ 5.0832, -10.1 ], [ 4.2171, -10.6 ], [ 5.0832, -9.1 ], [ 5.9492...	[ [ 0, 1, 2 ], [ 1, 2, 1 ], [ 1, 11, 1 ], [ 2, 3, 1 ], [ 3, 4, 1 ], [ 4, 5, 1 ], [ 4, 10, 2 ], [ 5, 6, 2 ], [ 6, 7, 1 ], [ 7, 8, 1 ], [ 7, 9, 2 ...	[]	null
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10.1039_d4gc04032e_12_figure_1_mol_8.jpg

[ "Blurry or Unclear Image", "Special Bond", "Special Bond Format", "Wavy Bond", "Other Issues Present" ]

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10.1039_d4gc04032e_14_figure_0_mol_0.jpg

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[]

null

10.1039_d4gc04032e_15_figure_1_mol_8.jpg

[ "Contamination Information", "Special Atom/Ion/Functional Group", "Charge Symbol", "Additional Information at Screenshot Boundary" ]

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[]

null

10.1039_d4gc04032e_16_figure_0_mol_3.jpg

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10.1039_d4gc04032e_17_figure_0_mol_3.jpg

[ "Contamination Information", "Special Atom/Ion/Functional Group", "Additional Information at Screenshot Boundary", "Charge Symbol" ]

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10.1039_d4gc04032e_20_figure_0_mol_5.jpg

[ "Blurry or Unclear Image" ]

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10.1039_d4gc04032e_4_figure_2_mol_1.jpg

[ "Special Bond", "Special Atom/Ion/Functional Group", "With Numbering", "Equal-width Chiral Bond" ]

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10.1039_d4gc04450a_1_figure_0_mol_4.jpg

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10.1039_d4gc04450a_2_figure_0_mol_12.jpg

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10.1039_d4gc04450a_3_figure_0_mol_4.jpg

[ "Blurry or Unclear Image", "Special Bond Format", "Special Atom/Ion/Functional Group Format", "Colored Background on Bonds", "Colored Background, Bold, Colored Text" ]

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10.1039_d4gc04535a_1_figure_0_mol_0.jpg

[ "Contamination Information", "Additional Information at Screenshot Boundary" ]

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10.1039_d4gc04699d_2_figure_0_mol_4.jpg

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10.1039_d4gc04699d_3_figure_0_mol_13.jpg

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10.1039_d4gc04699d_3_figure_0_mol_17.jpg

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10.1039_d4gc04699d_3_figure_0_mol_27.jpg

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[]

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10.1039_d4gc04699d_3_figure_0_mol_5.jpg

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10.1039_d4sc01435a_1_figure_0_mol_11.jpg

[ "Blurry or Unclear Image", "Special Bond", "Special Atom/Ion/Functional Group Format", "Colored Background, Bold, Colored Text", "Wavy Bond" ]

[ "C", "C", "C", "C", "C", "C", "C", "O", "O", "C", "O", "S", "[ACP]" ]

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10.1039_d4sc01435a_1_figure_0_mol_2.jpg

[ "Contamination Information", "Blurry or Unclear Image", "Additional Information at Screenshot Boundary" ]

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