Datasets:

opendatalab
/

MolRecBench-Wild

Dataset card Data Studio Files Files and versions

Split (1)

test · 5.01k rows

image imagewidth (px) 72 3.59k	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_d5sc04104j_2_figure_0_mol_8.jpg	[ "Blurry or Unclear Image", "Special Bond Format", "Colored Background on Bonds" ]	[ "[NHBoc]", "C", "C", "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 ]	[ [ 8.5443, -7 ], [ 8.5443, -6 ], [ 7.6783, -5.5 ], [ 7.6783, -4.5 ], [ 8.5443, -4 ], [ 8.5443, -3 ], [ 9.4104, -4.5 ], [ 9.4104, -5.5 ] ]	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 1, 7, 2 ], [ 2, 3, 2 ], [ 3, 4, 1 ], [ 4, 5, 1 ], [ 4, 6, 2 ], [ 6, 7, 1 ] ]	[]	null
	10.1039_d5sc04104j_2_figure_0_mol_9.jpg	[ "Blurry or Unclear Image", "Special Bond Format", "Colored Background on Bonds" ]	[ "C", "C", "C", "C", "C", "C", "O", "[NHBoc]" ]	[ null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null ]	[ null, null, null, null, null, null, null, null ]	[ [ 7.6754, -5.9008 ], [ 8.5409, -7.399 ], [ 8.5419, -6.4014 ], [ 7.6741, -7.8995 ], [ 6.8051, -6.4033 ], [ 6.8109, -7.4033 ], [ 7.6755, -4.9008 ], [ 7.6751, -8.8995 ] ]	[ [ 2, 0, 2 ], [ 0, 4, 1 ], [ 4, 5, 2 ], [ 5, 3, 1 ], [ 3, 1, 2 ], [ 1, 2, 1 ], [ 0, 6, 1 ], [ 3, 7, 1 ] ]	[]	null
	10.1039_d5sc04104j_3_figure_0_mol_0.jpg	[ "Contamination Information", "3D Style", "Special Molecular Structure", "Special Bond", "Special Bond Format", "Special Atom/Ion/Functional Group", "Special Atom/Ion/Functional Group Format", "Very Large Molecules (10+ Rings Threshold)", "Additional Information at Screenshot Boundary", "Triple Bon...	[ "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "N", "N", "C", "C", "C", "C", "N", "O", "C", "C", "C", "C", "N", "O", "N", "...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, 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, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ [ 8.8258, -8.1105 ], [ 7.8258, -8.1105 ], [ 7.3258, -8.9765 ], [ 7.8258, -9.8426 ], [ 8.8258, -9.8426 ], [ 9.3258, -8.9765 ], [ 9.3258, -7.2445 ], [ 8.8567, -6.8105 ], [ 7.8567, -6.8105 ], [ 7.3258, -...	[ [ 5, 0, 15 ], [ 0, 1, 1 ], [ 1, 2, 15 ], [ 2, 3, 18 ], [ 3, 4, 15 ], [ 4, 5, 18 ], [ 0, 6, 1 ], [ 6, 7, 1 ], [ 7, 8, 1 ], [ 8, 9, 1 ], [ 9, 1, 5...	[]	null
	10.1039_d5sc04104j_3_figure_0_mol_1.jpg	[ "Contamination Information", "Special Bond", "Special Bond Format", "Special Atom/Ion/Functional Group Format", "Additional Information at Screenshot Boundary", "Colored Background, Bold, Colored Text", "Colored Background on Bonds", "Triple Bond", "Equal-width Chiral Bond", "3D Molecule with Bond...	[ "C", "C", "C", "C", "C", "C", "F", "F", "F", "F", "F", "O", "C", "C", "O", "C", "C", "C", "C", "C", "C", "O", "C", "C", "C", "O", "N", "C", "C", "C", "O", "N", "C", "[NHBoc]", "C", "C", "C", "C", "C", "C", "O", "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, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ [ 6.8342, -9.5713 ], [ 5.8342, -9.5713 ], [ 5.3342, -10.4373 ], [ 5.8342, -11.3033 ], [ 6.8342, -11.3033 ], [ 7.3343, -10.4373 ], [ 5.3342, -8.7052 ], [ 4.3342, -10.4373 ], [ 5.3342, -12.1693 ], [ 7.3342,...	[ [ 5, 0, 2 ], [ 0, 1, 1 ], [ 1, 2, 2 ], [ 2, 3, 1 ], [ 3, 4, 2 ], [ 4, 5, 1 ], [ 1, 6, 1 ], [ 2, 7, 1 ], [ 3, 8, 1 ], [ 4, 9, 1 ], [ 5, 10, 1 ]...	[]	null
	10.1039_d5sc04104j_3_figure_0_mol_3.jpg	[ "Contamination Information", "Special Bond", "Special Bond Format", "Special Atom/Ion/Functional Group", "Special Atom/Ion/Functional Group Format", "Colored Background, Bold, Colored Text", "Colored Background on Bonds", "Additional Information at Screenshot Boundary", "Built-in Arrows, Dashed/Soli...	[ "C", "C", "C", "O", "C", "C", "C", "C", "O", "O", "C", "C", "F", "C", "F", "C", "F", "C", "F", "C", "F", "C", "C", "C", "O", "N", "C", "C", "C", "N", "C", "O", "N", "C", "C", "C", "C", "O", "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, 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, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null...	[ [ 0.4526, -13.4108 ], [ 0.9526, -14.2768 ], [ 1.4526, -15.1428 ], [ 2.4526, -15.1428 ], [ 2.9526, -16.0089 ], [ 2.4526, -16.874901 ], [ 2.9526, -17.7409 ], [ 2.4526, -18.606899 ], [ 2.9526, -19.473 ], [ 1...	[ [ 0, 1, 3 ], [ 1, 2, 1 ], [ 2, 3, 1 ], [ 3, 4, 1 ], [ 4, 5, 2 ], [ 4, 97, 1 ], [ 5, 6, 1 ], [ 6, 7, 1 ], [ 6, 21, 2 ], [ 7, 8, 2 ], [ 7, 9, 1 ...	[]	null
	10.1039_d5sc04104j_3_figure_1_mol_0.jpg	[ "Special Bond Format", "Special Atom/Ion/Functional Group Format", "Colored Background on Bonds", "Colored Background, Bold, Colored Text" ]	[ "[OAr]", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "[OAr]", "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, null, null, null, null, null ]	[ [ 11.2533, -11.6761 ], [ 10.36, -11.2026 ], [ 10.3315, -10.215 ], [ 9.4535, -9.7243 ], [ 8.6033, -10.2229 ], [ 7.7328, -9.7182 ], [ 7.7341, -8.719 ], [ 8.5922, -8.2289 ], [ 9.4456, -8.7233 ], [ 10.3068, ...	[ [ 0, 1, 1 ], [ 1, 2, 1 ], [ 2, 3, 2 ], [ 2, 17, 1 ], [ 3, 4, 1 ], [ 3, 8, 1 ], [ 4, 5, 2 ], [ 5, 6, 1 ], [ 6, 7, 2 ], [ 7, 8, 1 ], [ 8, 9, 2 ]...	[]	null
	10.1039_d5sc04352b_1_figure_1_mol_2.jpg	[ "Contamination Information", "Special Atom/Ion/Functional Group Format", "Additional Information at Screenshot Boundary", "Colored Background, Bold, Colored Text" ]	[ "N", "[Bn]", "[Ar]", "P", "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 ]	[ [ 7.8941, -9.1596 ], [ 7.4146, -8.2644 ], [ 7.4146, -10.0482 ], [ 8.8532, -9.1596 ], [ 9.3327, -8.2644 ] ]	[ [ 0, 1, 1 ], [ 0, 2, 1 ], [ 0, 3, 1 ], [ 3, 4, 2 ] ]	[]	null
	10.1039_d5sc04352b_3_figure_1_mol_2.jpg	[ "Contamination Information", "Blurry or Unclear Image", "Special Atom/Ion/Functional Group Format", "Additional Information at Screenshot Boundary", "Colored Background, Bold, Colored Text" ]	[ "N", "[Bn]", "[Ar]", "P", "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 ]	[ [ 13.3986, -9.5375 ], [ 12.8986, -8.6715 ], [ 12.8986, -10.4035 ], [ 14.3986, -9.5375 ], [ 14.8986, -8.6715 ] ]	[ [ 0, 1, 1 ], [ 0, 2, 1 ], [ 0, 3, 1 ], [ 3, 4, 2 ] ]	[]	null

Subsets and Splits

No community queries yet

The top public SQL queries from the community will appear here once available.