molSimplify 1.7.4__py3-none-any.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (651) hide show
  1. docs/source/conf.py +224 -0
  2. molSimplify/Classes/__init__.py +6 -0
  3. molSimplify/Classes/atom3D.py +235 -0
  4. molSimplify/Classes/dft_obs.py +130 -0
  5. molSimplify/Classes/globalvars.py +827 -0
  6. molSimplify/Classes/helpers.py +161 -0
  7. molSimplify/Classes/ligand.py +2330 -0
  8. molSimplify/Classes/mGUI.py +2493 -0
  9. molSimplify/Classes/mWidgets.py +438 -0
  10. molSimplify/Classes/miniGUI.py +41 -0
  11. molSimplify/Classes/mol2D.py +260 -0
  12. molSimplify/Classes/mol3D.py +5846 -0
  13. molSimplify/Classes/monomer3D.py +253 -0
  14. molSimplify/Classes/partialcharges.py +226 -0
  15. molSimplify/Classes/protein3D.py +1178 -0
  16. molSimplify/Classes/rundiag.py +151 -0
  17. molSimplify/Data/ML.dat +212 -0
  18. molSimplify/Data/MLS_FSR_for_inter.dat +23 -0
  19. molSimplify/Data/MLS_FSR_for_inter2.dat +23 -0
  20. molSimplify/Data/MLS_angle_for_click.dat +8 -0
  21. molSimplify/Data/MLS_angle_for_inter.dat +23 -0
  22. molSimplify/Data/MLS_angle_for_inter2.dat +48 -0
  23. molSimplify/Data/MLS_angle_for_intra.dat +10 -0
  24. molSimplify/Data/MLS_angle_for_intra2.dat +6 -0
  25. molSimplify/Data/MLS_angle_for_oa.dat +18 -0
  26. molSimplify/Data/ML_FSR_for_inter.dat +112 -0
  27. molSimplify/Data/ML_FSR_for_inter2.dat +110 -0
  28. molSimplify/Data/ML_bond_for_cat.dat +8 -0
  29. molSimplify/Data/ML_bond_for_click.dat +8 -0
  30. molSimplify/Data/ML_bond_for_inter.dat +48 -0
  31. molSimplify/Data/ML_bond_for_inter2.dat +48 -0
  32. molSimplify/Data/ML_bond_for_intra.dat +10 -0
  33. molSimplify/Data/ML_bond_for_intra2.dat +6 -0
  34. molSimplify/Data/ML_bond_for_oa.dat +18 -0
  35. molSimplify/Data/bp1.dat +21 -0
  36. molSimplify/Data/li.dat +3 -0
  37. molSimplify/Data/no.dat +2 -0
  38. molSimplify/Data/oct.dat +7 -0
  39. molSimplify/Data/pbp.dat +8 -0
  40. molSimplify/Data/spy.dat +6 -0
  41. molSimplify/Data/sqap.dat +9 -0
  42. molSimplify/Data/sqp.dat +5 -0
  43. molSimplify/Data/tbp.dat +6 -0
  44. molSimplify/Data/tdhd.dat +9 -0
  45. molSimplify/Data/thd.dat +5 -0
  46. molSimplify/Data/tpl.dat +4 -0
  47. molSimplify/Data/tpr.dat +7 -0
  48. molSimplify/Informatics/HFXsensitivity/__init__.py +0 -0
  49. molSimplify/Informatics/HFXsensitivity/measure_HFX_sensitivity_oxo_hat_reb_rel.py +443 -0
  50. molSimplify/Informatics/HFXsensitivity/measure_HFX_stable.py +346 -0
  51. molSimplify/Informatics/MOF/Linker_rotation.py +179 -0
  52. molSimplify/Informatics/MOF/MOF_descriptors.py +1299 -0
  53. molSimplify/Informatics/MOF/MOF_descriptors_alternate_functional.py +589 -0
  54. molSimplify/Informatics/MOF/MOF_functionalizer.py +1648 -0
  55. molSimplify/Informatics/MOF/PBC_functions.py +1347 -0
  56. molSimplify/Informatics/MOF/__init__.py +0 -0
  57. molSimplify/Informatics/MOF/atomic.py +267 -0
  58. molSimplify/Informatics/MOF/cluster_extraction.py +388 -0
  59. molSimplify/Informatics/MOF/fragment_MOFs_for_pormake.py +895 -0
  60. molSimplify/Informatics/MOF/monofunctionalized_BDC/index_information.py +10 -0
  61. molSimplify/Informatics/Mol2Parser.py +46 -0
  62. molSimplify/Informatics/RACassemble.py +408 -0
  63. molSimplify/Informatics/__init__.py +0 -0
  64. molSimplify/Informatics/active_learning/__init__.py +0 -0
  65. molSimplify/Informatics/active_learning/expected_improvement.py +269 -0
  66. molSimplify/Informatics/autocorrelation.py +1930 -0
  67. molSimplify/Informatics/clean_autocorrelation.py +778 -0
  68. molSimplify/Informatics/coulomb_analyze.py +67 -0
  69. molSimplify/Informatics/decoration_manager.py +193 -0
  70. molSimplify/Informatics/geo_analyze.py +88 -0
  71. molSimplify/Informatics/geometrics.py +56 -0
  72. molSimplify/Informatics/graph_analyze.py +163 -0
  73. molSimplify/Informatics/graph_racs.py +288 -0
  74. molSimplify/Informatics/jupyter_vis.py +172 -0
  75. molSimplify/Informatics/lacRACAssemble.py +2192 -0
  76. molSimplify/Informatics/lacRACAssemble_bisdithiolenes.py +236 -0
  77. molSimplify/Informatics/misc_descriptors.py +198 -0
  78. molSimplify/Informatics/organic_fingerprints.py +61 -0
  79. molSimplify/Informatics/partialcharges.py +345 -0
  80. molSimplify/Informatics/protein/activesite.py +53 -0
  81. molSimplify/Informatics/protein/pymol_add_hs.py +33 -0
  82. molSimplify/Informatics/rac155_geo.py +48 -0
  83. molSimplify/Ligands/(1_methylbenzimidazol_2_yl)pyridine.xyz +45 -0
  84. molSimplify/Ligands/1-4-dimethyl-1-2-3-triazole.xyz +15 -0
  85. molSimplify/Ligands/12crown4.mol +62 -0
  86. molSimplify/Ligands/Antipyrine.mol +58 -0
  87. molSimplify/Ligands/BPAbipy.mol +106 -0
  88. molSimplify/Ligands/Hpyrrole.mol +26 -0
  89. molSimplify/Ligands/N-quinolinylbutyramidate.xyz +31 -0
  90. molSimplify/Ligands/N-quinolinylmethylmethinylacetamidate.xyz +30 -0
  91. molSimplify/Ligands/NMe2_-1.xyz +11 -0
  92. molSimplify/Ligands/PCy3.mol +111 -0
  93. molSimplify/Ligands/PMe3.xyz +15 -0
  94. molSimplify/Ligands/PPh3.mol +76 -0
  95. molSimplify/Ligands/Propyphenazone.mol +77 -0
  96. molSimplify/Ligands/acac.mol +33 -0
  97. molSimplify/Ligands/acacen.mol +76 -0
  98. molSimplify/Ligands/acetate.smi +1 -0
  99. molSimplify/Ligands/acetate.xyz +9 -0
  100. molSimplify/Ligands/aceticacidbipyridine.mol +70 -0
  101. molSimplify/Ligands/acetonitrile.mol +17 -0
  102. molSimplify/Ligands/alanine.mol +30 -0
  103. molSimplify/Ligands/alphabetizer.py +21 -0
  104. molSimplify/Ligands/amine.mol +11 -0
  105. molSimplify/Ligands/ammonia.mol +12 -0
  106. molSimplify/Ligands/arginine.mol +58 -0
  107. molSimplify/Ligands/asparagine.mol +38 -0
  108. molSimplify/Ligands/aspartic_acid.mol +35 -0
  109. molSimplify/Ligands/azide.mol +11 -0
  110. molSimplify/Ligands/benzene.mol +28 -0
  111. molSimplify/Ligands/benzene_pi.mol +30 -0
  112. molSimplify/Ligands/benzenedithiol.mol +30 -0
  113. molSimplify/Ligands/benzenethiol.mol +30 -0
  114. molSimplify/Ligands/benzylisocy.mol +38 -0
  115. molSimplify/Ligands/bidiazine.mol +42 -0
  116. molSimplify/Ligands/bidiazole.mol +38 -0
  117. molSimplify/Ligands/bifuran.mol +38 -0
  118. molSimplify/Ligands/bihydrodiazine.mol +58 -0
  119. molSimplify/Ligands/bihydrodiazole.mol +46 -0
  120. molSimplify/Ligands/bihydrooxazine.mol +54 -0
  121. molSimplify/Ligands/bihydrooxazole.mol +42 -0
  122. molSimplify/Ligands/bihydrothiazine.mol +54 -0
  123. molSimplify/Ligands/bihydrothiazole.mol +42 -0
  124. molSimplify/Ligands/biimidazole.mol +38 -0
  125. molSimplify/Ligands/bioxazole.mol +34 -0
  126. molSimplify/Ligands/bipy.mol +46 -0
  127. molSimplify/Ligands/bipyrazine.xyz +20 -0
  128. molSimplify/Ligands/bipyrimidine.mol +42 -0
  129. molSimplify/Ligands/bipyrrole.mol +42 -0
  130. molSimplify/Ligands/bisnapthyridylpyridine.mol +111 -0
  131. molSimplify/Ligands/bithiazole.mol +34 -0
  132. molSimplify/Ligands/bromide.mol +7 -0
  133. molSimplify/Ligands/bromide.smi +1 -0
  134. molSimplify/Ligands/c2.mol +9 -0
  135. molSimplify/Ligands/caprolactone.mol +41 -0
  136. molSimplify/Ligands/carbonyl.mol +8 -0
  137. molSimplify/Ligands/carboxyl.mol +13 -0
  138. molSimplify/Ligands/cat.mol +30 -0
  139. molSimplify/Ligands/chloride.mol +7 -0
  140. molSimplify/Ligands/chloride.smi +1 -0
  141. molSimplify/Ligands/chloropyridine.mol +27 -0
  142. molSimplify/Ligands/co2.mol +10 -0
  143. molSimplify/Ligands/corrolazine.mol +72 -0
  144. molSimplify/Ligands/cs.mol +8 -0
  145. molSimplify/Ligands/cyanate.xyz +5 -0
  146. molSimplify/Ligands/cyanide.mol +9 -0
  147. molSimplify/Ligands/cyanoaceticporphyrin.mol +114 -0
  148. molSimplify/Ligands/cyanopyridine.mol +29 -0
  149. molSimplify/Ligands/cyclam.mol +81 -0
  150. molSimplify/Ligands/cyclen.mol +69 -0
  151. molSimplify/Ligands/cyclopentadienyl.mol +26 -0
  152. molSimplify/Ligands/cysteine.mol +32 -0
  153. molSimplify/Ligands/diaminomethyl.mol +19 -0
  154. molSimplify/Ligands/diazine.mol +25 -0
  155. molSimplify/Ligands/diazole.mol +23 -0
  156. molSimplify/Ligands/dicyanamide.mol +15 -0
  157. molSimplify/Ligands/dihydrofuran.mol +27 -0
  158. molSimplify/Ligands/dmap.xyz +35 -0
  159. molSimplify/Ligands/dmf.mol +28 -0
  160. molSimplify/Ligands/dmi.mol +41 -0
  161. molSimplify/Ligands/dmpe.mol +52 -0
  162. molSimplify/Ligands/dpmu.mol +47 -0
  163. molSimplify/Ligands/dppe.mol +112 -0
  164. molSimplify/Ligands/edta.mol +69 -0
  165. molSimplify/Ligands/en.mol +28 -0
  166. molSimplify/Ligands/ethanethiol.mol +21 -0
  167. molSimplify/Ligands/ethanolamine.mol +26 -0
  168. molSimplify/Ligands/ethbipy.mol +70 -0
  169. molSimplify/Ligands/ethyl.mol +19 -0
  170. molSimplify/Ligands/ethylamine.mol +24 -0
  171. molSimplify/Ligands/ethylene.mol +16 -0
  172. molSimplify/Ligands/ethylesteracac.mol +57 -0
  173. molSimplify/Ligands/fluoride.mol +7 -0
  174. molSimplify/Ligands/fluoride.smi +1 -0
  175. molSimplify/Ligands/formaldehyde.mol +12 -0
  176. molSimplify/Ligands/formamidate.xyz +8 -0
  177. molSimplify/Ligands/formate.xyz +6 -0
  178. molSimplify/Ligands/furan.mol +23 -0
  179. molSimplify/Ligands/glutamic_acid.mol +42 -0
  180. molSimplify/Ligands/glutamine.mol +44 -0
  181. molSimplify/Ligands/glycinate.mol +23 -0
  182. molSimplify/Ligands/glycine.mol +24 -0
  183. molSimplify/Ligands/h2s.mol +10 -0
  184. molSimplify/Ligands/helium.mol +6 -0
  185. molSimplify/Ligands/histidine.mol +45 -0
  186. molSimplify/Ligands/hmpa.mol +62 -0
  187. molSimplify/Ligands/hs-.mol +9 -0
  188. molSimplify/Ligands/hydride.mol +7 -0
  189. molSimplify/Ligands/hydrocarboxyacetylide.xyz +8 -0
  190. molSimplify/Ligands/hydrocyanide.mol +10 -0
  191. molSimplify/Ligands/hydrodiazine.mol +33 -0
  192. molSimplify/Ligands/hydrodiazole.mol +27 -0
  193. molSimplify/Ligands/hydrogensulfide.mol +10 -0
  194. molSimplify/Ligands/hydroisocyanide.mol +11 -0
  195. molSimplify/Ligands/hydrooxazine.mol +31 -0
  196. molSimplify/Ligands/hydrooxazole.mol +25 -0
  197. molSimplify/Ligands/hydrothiazine.mol +31 -0
  198. molSimplify/Ligands/hydrothiazole.mol +25 -0
  199. molSimplify/Ligands/hydroxyl.mol +9 -0
  200. molSimplify/Ligands/imidazole.mol +23 -0
  201. molSimplify/Ligands/imidazolidinone.mol +29 -0
  202. molSimplify/Ligands/imine.mol +13 -0
  203. molSimplify/Ligands/iminodiacetic.mol +33 -0
  204. molSimplify/Ligands/iodide.mol +7 -0
  205. molSimplify/Ligands/iodobenzene.xyz +14 -0
  206. molSimplify/Ligands/isoleucine.mol +48 -0
  207. molSimplify/Ligands/isothiocyanate.mol +11 -0
  208. molSimplify/Ligands/leucine.mol +48 -0
  209. molSimplify/Ligands/ligands.dict +257 -0
  210. molSimplify/Ligands/lysine.mol +54 -0
  211. molSimplify/Ligands/mebenzenedithiol.mol +36 -0
  212. molSimplify/Ligands/mebim_py.xyz +29 -0
  213. molSimplify/Ligands/mebim_pz.xyz +28 -0
  214. molSimplify/Ligands/mebipy.mol +58 -0
  215. molSimplify/Ligands/mecat.mol +36 -0
  216. molSimplify/Ligands/methanal.mol +11 -0
  217. molSimplify/Ligands/methanethiol.mol +15 -0
  218. molSimplify/Ligands/methanol.mol +16 -0
  219. molSimplify/Ligands/methionine.mol +44 -0
  220. molSimplify/Ligands/methyl.mol +13 -0
  221. molSimplify/Ligands/methylacetylide.xyz +8 -0
  222. molSimplify/Ligands/methylamine.mol +19 -0
  223. molSimplify/Ligands/methylazide.xyz +9 -0
  224. molSimplify/Ligands/methylisocy.mol +17 -0
  225. molSimplify/Ligands/methylpyridine.mol +33 -0
  226. molSimplify/Ligands/n2.mol +8 -0
  227. molSimplify/Ligands/n4py.xyz +51 -0
  228. molSimplify/Ligands/nch.mol +10 -0
  229. molSimplify/Ligands/nco-.mol +11 -0
  230. molSimplify/Ligands/nethanolamine.mol +26 -0
  231. molSimplify/Ligands/nitrate.mol +14 -0
  232. molSimplify/Ligands/nitrite.mol +11 -0
  233. molSimplify/Ligands/nitro.mol +11 -0
  234. molSimplify/Ligands/nitrobipy.mol +54 -0
  235. molSimplify/Ligands/nitroso.mol +8 -0
  236. molSimplify/Ligands/nme3.mol +30 -0
  237. molSimplify/Ligands/no-.mol +10 -0
  238. molSimplify/Ligands/no2-.mol +11 -0
  239. molSimplify/Ligands/noxygen.mol +8 -0
  240. molSimplify/Ligands/ns-.mol +10 -0
  241. molSimplify/Ligands/o-pyridylbenzene.xyz +23 -0
  242. molSimplify/Ligands/o-pyridylphenylanion.xyz +22 -0
  243. molSimplify/Ligands/o2-.mol +9 -0
  244. molSimplify/Ligands/o2.xyz +4 -0
  245. molSimplify/Ligands/och2.mol +12 -0
  246. molSimplify/Ligands/oethanolamine.mol +26 -0
  247. molSimplify/Ligands/ome2.mol +22 -0
  248. molSimplify/Ligands/ooh.xyz +5 -0
  249. molSimplify/Ligands/oxalate.mol +17 -0
  250. molSimplify/Ligands/oxalate.smi +1 -0
  251. molSimplify/Ligands/oxygen.mol +7 -0
  252. molSimplify/Ligands/pentacyanocyclopentadienide.mol +36 -0
  253. molSimplify/Ligands/ph2-.mol +11 -0
  254. molSimplify/Ligands/ph3.mol +12 -0
  255. molSimplify/Ligands/phen.mol +51 -0
  256. molSimplify/Ligands/phenacac.mol +63 -0
  257. molSimplify/Ligands/phenalalanine.mol +51 -0
  258. molSimplify/Ligands/phendione.mol +51 -0
  259. molSimplify/Ligands/phenphen.mol +75 -0
  260. molSimplify/Ligands/phenylbenzoxazole.mol +54 -0
  261. molSimplify/Ligands/phenylcyc.mol +99 -0
  262. molSimplify/Ligands/phenylenediamine.mol +37 -0
  263. molSimplify/Ligands/phenylisocy.mol +32 -0
  264. molSimplify/Ligands/phosacidbipy.mol +66 -0
  265. molSimplify/Ligands/phosphine.mol +13 -0
  266. molSimplify/Ligands/phosphorine.mol +27 -0
  267. molSimplify/Ligands/phosphorustrifluoride.mol +12 -0
  268. molSimplify/Ligands/phthalocyanine.mol +126 -0
  269. molSimplify/Ligands/pme3o.mol +32 -0
  270. molSimplify/Ligands/porphyrin.mol +82 -0
  271. molSimplify/Ligands/pph3o.mol +77 -0
  272. molSimplify/Ligands/proline.mol +39 -0
  273. molSimplify/Ligands/propdiol.mol +21 -0
  274. molSimplify/Ligands/propylene.mol +23 -0
  275. molSimplify/Ligands/pyridine.mol +27 -0
  276. molSimplify/Ligands/pyrimidone.mol +27 -0
  277. molSimplify/Ligands/pyrrole.mol +24 -0
  278. molSimplify/Ligands/quinoxalinedithiol.mol +39 -0
  279. molSimplify/Ligands/s2-.mol +9 -0
  280. molSimplify/Ligands/salen.mol +75 -0
  281. molSimplify/Ligands/salphen.mol +84 -0
  282. molSimplify/Ligands/serine.mol +32 -0
  283. molSimplify/Ligands/simple_ligands.dict +14 -0
  284. molSimplify/Ligands/sulfacidbipy.mol +63 -0
  285. molSimplify/Ligands/tbucat.mol +54 -0
  286. molSimplify/Ligands/tbuphisocy.mol +56 -0
  287. molSimplify/Ligands/tbutylcyclen.mol +166 -0
  288. molSimplify/Ligands/tbutylisocy.mol +35 -0
  289. molSimplify/Ligands/tbutylthiol.mol +33 -0
  290. molSimplify/Ligands/tcnoet.mol +43 -0
  291. molSimplify/Ligands/tcnoetOH.mol +45 -0
  292. molSimplify/Ligands/terpy.mol +65 -0
  293. molSimplify/Ligands/tetrahydrofuran.mol +31 -0
  294. molSimplify/Ligands/thiane.mol +37 -0
  295. molSimplify/Ligands/thiazole.mol +21 -0
  296. molSimplify/Ligands/thiocyanate.mol +11 -0
  297. molSimplify/Ligands/thiol.mol +9 -0
  298. molSimplify/Ligands/thiophene.mol +23 -0
  299. molSimplify/Ligands/thiopyridine.mol +29 -0
  300. molSimplify/Ligands/threonine.mol +38 -0
  301. molSimplify/Ligands/tpp.mol +165 -0
  302. molSimplify/Ligands/tricyanomethyl.mol +19 -0
  303. molSimplify/Ligands/trifluoromethyl.mol +13 -0
  304. molSimplify/Ligands/tryptophan.mol +60 -0
  305. molSimplify/Ligands/tyrosine.mol +53 -0
  306. molSimplify/Ligands/uthiol.mol +11 -0
  307. molSimplify/Ligands/uthiolme2.mol +23 -0
  308. molSimplify/Ligands/valine.mol +42 -0
  309. molSimplify/Ligands/water.mol +10 -0
  310. molSimplify/Ligands/x.mol +6 -0
  311. molSimplify/Scripts/__init__.py +0 -0
  312. molSimplify/Scripts/addtodb.py +308 -0
  313. molSimplify/Scripts/cellbuilder.py +1592 -0
  314. molSimplify/Scripts/cellbuilder_tools.py +701 -0
  315. molSimplify/Scripts/chains.py +342 -0
  316. molSimplify/Scripts/convert_2to3.py +23 -0
  317. molSimplify/Scripts/dbinteract.py +631 -0
  318. molSimplify/Scripts/distgeom.py +617 -0
  319. molSimplify/Scripts/findcorrelations.py +287 -0
  320. molSimplify/Scripts/generator.py +267 -0
  321. molSimplify/Scripts/geometry.py +1224 -0
  322. molSimplify/Scripts/grabguivars.py +845 -0
  323. molSimplify/Scripts/in_b3lyp_usetc.py +141 -0
  324. molSimplify/Scripts/inparse.py +1673 -0
  325. molSimplify/Scripts/io.py +1149 -0
  326. molSimplify/Scripts/isomers.py +415 -0
  327. molSimplify/Scripts/jobgen.py +247 -0
  328. molSimplify/Scripts/krr_prep.py +1262 -0
  329. molSimplify/Scripts/molSimplify_io.py +18 -0
  330. molSimplify/Scripts/molden2psi4wfn.py +166 -0
  331. molSimplify/Scripts/namegen.py +32 -0
  332. molSimplify/Scripts/nn_prep.py +561 -0
  333. molSimplify/Scripts/oct_check_mols.py +782 -0
  334. molSimplify/Scripts/periodic_QE.py +97 -0
  335. molSimplify/Scripts/postmold.py +304 -0
  336. molSimplify/Scripts/postmwfn.py +709 -0
  337. molSimplify/Scripts/postparse.py +488 -0
  338. molSimplify/Scripts/postproc.py +139 -0
  339. molSimplify/Scripts/qcgen.py +1450 -0
  340. molSimplify/Scripts/rmsd.py +489 -0
  341. molSimplify/Scripts/rungen.py +670 -0
  342. molSimplify/Scripts/structgen.py +3040 -0
  343. molSimplify/Scripts/tf_nn_prep.py +894 -0
  344. molSimplify/Scripts/tsgen.py +295 -0
  345. molSimplify/Scripts/uq_calibration.py +69 -0
  346. molSimplify/__init__.py +0 -0
  347. molSimplify/__main__.py +197 -0
  348. molSimplify/icons/chemdb.png +0 -0
  349. molSimplify/icons/hjklogo.png +0 -0
  350. molSimplify/icons/icon.png +0 -0
  351. molSimplify/icons/logo.png +0 -0
  352. molSimplify/icons/logo_old.png +0 -0
  353. molSimplify/icons/petachem.png +0 -0
  354. molSimplify/icons/petachem2.png +0 -0
  355. molSimplify/icons/petachem_full.png +0 -0
  356. molSimplify/icons/pythonlogo.png +0 -0
  357. molSimplify/icons/sge copy.png +0 -0
  358. molSimplify/icons/sge.png +0 -0
  359. molSimplify/icons/slurm.png +0 -0
  360. molSimplify/icons/wft1.png +0 -0
  361. molSimplify/icons/wft2.png +0 -0
  362. molSimplify/icons/wft3.png +0 -0
  363. molSimplify/ml/__init__.py +0 -0
  364. molSimplify/ml/kernels.py +36 -0
  365. molSimplify/ml/layers.py +29 -0
  366. molSimplify/molscontrol/__init__.py +14 -0
  367. molSimplify/molscontrol/_version.py +521 -0
  368. molSimplify/molscontrol/clf_tools.py +144 -0
  369. molSimplify/molscontrol/data/README.md +21 -0
  370. molSimplify/molscontrol/data/look_and_say.dat +15 -0
  371. molSimplify/molscontrol/dynamic_classifier.py +514 -0
  372. molSimplify/molscontrol/io_tools.py +363 -0
  373. molSimplify/molscontrol/molscontrol.py +49 -0
  374. molSimplify/molscontrol/terachem/jobscript_control.sh +31 -0
  375. molSimplify/molscontrol/terachem/terachem_input +22 -0
  376. molSimplify/python_krr/X_train_TS.csv +535 -0
  377. molSimplify/python_krr/__init__.py +0 -0
  378. molSimplify/python_krr/hat2_X_mean_std.csv +3 -0
  379. molSimplify/python_krr/hat2_feature_names.csv +1 -0
  380. molSimplify/python_krr/hat2_y_mean_std.csv +2 -0
  381. molSimplify/python_krr/hat_X_mean_std.csv +6 -0
  382. molSimplify/python_krr/hat_feature_names.csv +1 -0
  383. molSimplify/python_krr/hat_krr_X_train.csv +5205 -0
  384. molSimplify/python_krr/hat_krr_dual_coef.csv +1 -0
  385. molSimplify/python_krr/hat_y_mean_std.csv +2 -0
  386. molSimplify/python_krr/sklearn_models.py +34 -0
  387. molSimplify/python_krr/y_train_TS.csv +535 -0
  388. molSimplify/python_nn/ANN.py +198 -0
  389. molSimplify/python_nn/__init__.py +0 -0
  390. molSimplify/python_nn/clf_analysis_tool.py +125 -0
  391. molSimplify/python_nn/dictionary_toolbox.py +49 -0
  392. molSimplify/python_nn/ensemble_test.py +309 -0
  393. molSimplify/python_nn/hs_center.csv +26 -0
  394. molSimplify/python_nn/hs_scale.csv +26 -0
  395. molSimplify/python_nn/ls_center.csv +26 -0
  396. molSimplify/python_nn/ls_scale.csv +26 -0
  397. molSimplify/python_nn/ms_hs_b1.csv +50 -0
  398. molSimplify/python_nn/ms_hs_b2.csv +50 -0
  399. molSimplify/python_nn/ms_hs_b3.csv +1 -0
  400. molSimplify/python_nn/ms_hs_w1.csv +50 -0
  401. molSimplify/python_nn/ms_hs_w2.csv +50 -0
  402. molSimplify/python_nn/ms_hs_w3.csv +1 -0
  403. molSimplify/python_nn/ms_ls_b1.csv +50 -0
  404. molSimplify/python_nn/ms_ls_b2.csv +50 -0
  405. molSimplify/python_nn/ms_ls_b3.csv +1 -0
  406. molSimplify/python_nn/ms_ls_w1.csv +50 -0
  407. molSimplify/python_nn/ms_ls_w2.csv +50 -0
  408. molSimplify/python_nn/ms_ls_w3.csv +1 -0
  409. molSimplify/python_nn/ms_slope_b1.csv +50 -0
  410. molSimplify/python_nn/ms_slope_b2.csv +50 -0
  411. molSimplify/python_nn/ms_slope_b3.csv +1 -0
  412. molSimplify/python_nn/ms_slope_w1.csv +50 -0
  413. molSimplify/python_nn/ms_slope_w2.csv +50 -0
  414. molSimplify/python_nn/ms_slope_w3.csv +1 -0
  415. molSimplify/python_nn/ms_split_b1.csv +50 -0
  416. molSimplify/python_nn/ms_split_b2.csv +50 -0
  417. molSimplify/python_nn/ms_split_b3.csv +1 -0
  418. molSimplify/python_nn/ms_split_w1.csv +50 -0
  419. molSimplify/python_nn/ms_split_w2.csv +50 -0
  420. molSimplify/python_nn/ms_split_w3.csv +1 -0
  421. molSimplify/python_nn/slope_center.csv +25 -0
  422. molSimplify/python_nn/slope_scale.csv +25 -0
  423. molSimplify/python_nn/split_center.csv +26 -0
  424. molSimplify/python_nn/split_scale.csv +26 -0
  425. molSimplify/python_nn/tf_ANN.py +762 -0
  426. molSimplify/python_nn/train_data.csv +1211 -0
  427. molSimplify/tf_nn/__init__.py +0 -0
  428. molSimplify/tf_nn/geo_static_clf/geo_static_clf_model.h5 +0 -0
  429. molSimplify/tf_nn/geo_static_clf/geo_static_clf_train_name.csv +1591 -0
  430. molSimplify/tf_nn/geo_static_clf/geo_static_clf_train_x.csv +2790 -0
  431. molSimplify/tf_nn/geo_static_clf/geo_static_clf_train_y.csv +2790 -0
  432. molSimplify/tf_nn/geo_static_clf/geo_static_clf_vars.csv +154 -0
  433. molSimplify/tf_nn/geos/hs_ii_bl_x.csv +1577 -0
  434. molSimplify/tf_nn/geos/hs_ii_bl_y.csv +1577 -0
  435. molSimplify/tf_nn/geos/hs_ii_model.h5 +0 -0
  436. molSimplify/tf_nn/geos/hs_ii_model.json +1 -0
  437. molSimplify/tf_nn/geos/hs_ii_vars.csv +154 -0
  438. molSimplify/tf_nn/geos/hs_iii_bl_x.csv +1659 -0
  439. molSimplify/tf_nn/geos/hs_iii_bl_y.csv +1659 -0
  440. molSimplify/tf_nn/geos/hs_iii_model.h5 +0 -0
  441. molSimplify/tf_nn/geos/hs_iii_model.json +1 -0
  442. molSimplify/tf_nn/geos/hs_iii_vars.csv +154 -0
  443. molSimplify/tf_nn/geos/ls_ii_bl_x.csv +1374 -0
  444. molSimplify/tf_nn/geos/ls_ii_bl_y.csv +1374 -0
  445. molSimplify/tf_nn/geos/ls_ii_model.h5 +0 -0
  446. molSimplify/tf_nn/geos/ls_ii_model.json +1 -0
  447. molSimplify/tf_nn/geos/ls_ii_vars.csv +154 -0
  448. molSimplify/tf_nn/geos/ls_iii_bl_x.csv +1364 -0
  449. molSimplify/tf_nn/geos/ls_iii_bl_y.csv +1364 -0
  450. molSimplify/tf_nn/geos/ls_iii_model.h5 +0 -0
  451. molSimplify/tf_nn/geos/ls_iii_model.json +1 -0
  452. molSimplify/tf_nn/geos/ls_iii_vars.csv +154 -0
  453. molSimplify/tf_nn/homolumo/gap_model.h5 +0 -0
  454. molSimplify/tf_nn/homolumo/gap_model.json +1 -0
  455. molSimplify/tf_nn/homolumo/gap_test_names.csv +175 -0
  456. molSimplify/tf_nn/homolumo/gap_test_x.csv +176 -0
  457. molSimplify/tf_nn/homolumo/gap_test_y.csv +176 -0
  458. molSimplify/tf_nn/homolumo/gap_train_names.csv +699 -0
  459. molSimplify/tf_nn/homolumo/gap_train_x.csv +700 -0
  460. molSimplify/tf_nn/homolumo/gap_train_y.csv +700 -0
  461. molSimplify/tf_nn/homolumo/gap_vars.csv +153 -0
  462. molSimplify/tf_nn/homolumo/homo_model.h5 +0 -0
  463. molSimplify/tf_nn/homolumo/homo_model.json +126 -0
  464. molSimplify/tf_nn/homolumo/homo_test_names.csv +175 -0
  465. molSimplify/tf_nn/homolumo/homo_test_x.csv +176 -0
  466. molSimplify/tf_nn/homolumo/homo_test_y.csv +176 -0
  467. molSimplify/tf_nn/homolumo/homo_train_names.csv +699 -0
  468. molSimplify/tf_nn/homolumo/homo_train_x.csv +700 -0
  469. molSimplify/tf_nn/homolumo/homo_train_y.csv +700 -0
  470. molSimplify/tf_nn/homolumo/homo_vars.csv +153 -0
  471. molSimplify/tf_nn/oxoandhomo/homo_empty_info.json +7 -0
  472. molSimplify/tf_nn/oxoandhomo/homo_empty_model.h5 +0 -0
  473. molSimplify/tf_nn/oxoandhomo/homo_empty_model.json +1 -0
  474. molSimplify/tf_nn/oxoandhomo/homo_empty_test_names.csv +143 -0
  475. molSimplify/tf_nn/oxoandhomo/homo_empty_test_x.csv +144 -0
  476. molSimplify/tf_nn/oxoandhomo/homo_empty_test_y.csv +144 -0
  477. molSimplify/tf_nn/oxoandhomo/homo_empty_train_names.csv +513 -0
  478. molSimplify/tf_nn/oxoandhomo/homo_empty_train_x.csv +514 -0
  479. molSimplify/tf_nn/oxoandhomo/homo_empty_train_y.csv +514 -0
  480. molSimplify/tf_nn/oxoandhomo/homo_empty_val_names.csv +143 -0
  481. molSimplify/tf_nn/oxoandhomo/homo_empty_val_x.csv +58 -0
  482. molSimplify/tf_nn/oxoandhomo/homo_empty_val_y.csv +58 -0
  483. molSimplify/tf_nn/oxoandhomo/homo_empty_vars.csv +155 -0
  484. molSimplify/tf_nn/oxoandhomo/oxo20_info.json +7 -0
  485. molSimplify/tf_nn/oxoandhomo/oxo20_model.h5 +0 -0
  486. molSimplify/tf_nn/oxoandhomo/oxo20_model.json +1 -0
  487. molSimplify/tf_nn/oxoandhomo/oxo20_test_names.csv +143 -0
  488. molSimplify/tf_nn/oxoandhomo/oxo20_test_x.csv +144 -0
  489. molSimplify/tf_nn/oxoandhomo/oxo20_test_y.csv +144 -0
  490. molSimplify/tf_nn/oxoandhomo/oxo20_train_names.csv +513 -0
  491. molSimplify/tf_nn/oxoandhomo/oxo20_train_x.csv +514 -0
  492. molSimplify/tf_nn/oxoandhomo/oxo20_train_y.csv +514 -0
  493. molSimplify/tf_nn/oxoandhomo/oxo20_val_names.csv +143 -0
  494. molSimplify/tf_nn/oxoandhomo/oxo20_val_x.csv +58 -0
  495. molSimplify/tf_nn/oxoandhomo/oxo20_val_y.csv +58 -0
  496. molSimplify/tf_nn/oxoandhomo/oxo20_vars.csv +154 -0
  497. molSimplify/tf_nn/oxocatalysis/hat_model.h5 +0 -0
  498. molSimplify/tf_nn/oxocatalysis/hat_model.json +1 -0
  499. molSimplify/tf_nn/oxocatalysis/hat_test_names.csv +419 -0
  500. molSimplify/tf_nn/oxocatalysis/hat_test_x.csv +420 -0
  501. molSimplify/tf_nn/oxocatalysis/hat_test_y.csv +420 -0
  502. molSimplify/tf_nn/oxocatalysis/hat_train_names.csv +1507 -0
  503. molSimplify/tf_nn/oxocatalysis/hat_train_x.csv +1508 -0
  504. molSimplify/tf_nn/oxocatalysis/hat_train_y.csv +1508 -0
  505. molSimplify/tf_nn/oxocatalysis/hat_val_x.csv +169 -0
  506. molSimplify/tf_nn/oxocatalysis/hat_val_y.csv +169 -0
  507. molSimplify/tf_nn/oxocatalysis/hat_vars.csv +162 -0
  508. molSimplify/tf_nn/oxocatalysis/oxo_model.h5 +0 -0
  509. molSimplify/tf_nn/oxocatalysis/oxo_model.json +1 -0
  510. molSimplify/tf_nn/oxocatalysis/oxo_test_names.csv +527 -0
  511. molSimplify/tf_nn/oxocatalysis/oxo_test_x.csv +528 -0
  512. molSimplify/tf_nn/oxocatalysis/oxo_test_y.csv +528 -0
  513. molSimplify/tf_nn/oxocatalysis/oxo_train_names.csv +1897 -0
  514. molSimplify/tf_nn/oxocatalysis/oxo_train_x.csv +1898 -0
  515. molSimplify/tf_nn/oxocatalysis/oxo_train_y.csv +1898 -0
  516. molSimplify/tf_nn/oxocatalysis/oxo_val_x.csv +212 -0
  517. molSimplify/tf_nn/oxocatalysis/oxo_val_y.csv +212 -0
  518. molSimplify/tf_nn/oxocatalysis/oxo_vars.csv +162 -0
  519. molSimplify/tf_nn/rescaling_data/gap_mean_x.csv +153 -0
  520. molSimplify/tf_nn/rescaling_data/gap_mean_y.csv +1 -0
  521. molSimplify/tf_nn/rescaling_data/gap_var_x.csv +153 -0
  522. molSimplify/tf_nn/rescaling_data/gap_var_y.csv +1 -0
  523. molSimplify/tf_nn/rescaling_data/geo_static_clf_mean_x.csv +154 -0
  524. molSimplify/tf_nn/rescaling_data/geo_static_clf_mean_y.csv +1 -0
  525. molSimplify/tf_nn/rescaling_data/geo_static_clf_var_x.csv +154 -0
  526. molSimplify/tf_nn/rescaling_data/geo_static_clf_var_y.csv +1 -0
  527. molSimplify/tf_nn/rescaling_data/hat_mean_x.csv +162 -0
  528. molSimplify/tf_nn/rescaling_data/hat_mean_y.csv +1 -0
  529. molSimplify/tf_nn/rescaling_data/hat_var_x.csv +162 -0
  530. molSimplify/tf_nn/rescaling_data/hat_var_y.csv +1 -0
  531. molSimplify/tf_nn/rescaling_data/homo_empty_mean_x.csv +155 -0
  532. molSimplify/tf_nn/rescaling_data/homo_empty_mean_y.csv +1 -0
  533. molSimplify/tf_nn/rescaling_data/homo_empty_var_x.csv +155 -0
  534. molSimplify/tf_nn/rescaling_data/homo_empty_var_y.csv +1 -0
  535. molSimplify/tf_nn/rescaling_data/homo_mean_x.csv +153 -0
  536. molSimplify/tf_nn/rescaling_data/homo_mean_y.csv +1 -0
  537. molSimplify/tf_nn/rescaling_data/homo_var_x.csv +153 -0
  538. molSimplify/tf_nn/rescaling_data/homo_var_y.csv +1 -0
  539. molSimplify/tf_nn/rescaling_data/hs_ii_mean_x.csv +154 -0
  540. molSimplify/tf_nn/rescaling_data/hs_ii_mean_y.csv +3 -0
  541. molSimplify/tf_nn/rescaling_data/hs_ii_var_x.csv +154 -0
  542. molSimplify/tf_nn/rescaling_data/hs_ii_var_y.csv +3 -0
  543. molSimplify/tf_nn/rescaling_data/hs_iii_mean_x.csv +154 -0
  544. molSimplify/tf_nn/rescaling_data/hs_iii_mean_y.csv +3 -0
  545. molSimplify/tf_nn/rescaling_data/hs_iii_var_x.csv +154 -0
  546. molSimplify/tf_nn/rescaling_data/hs_iii_var_y.csv +3 -0
  547. molSimplify/tf_nn/rescaling_data/ls_ii_mean_x.csv +154 -0
  548. molSimplify/tf_nn/rescaling_data/ls_ii_mean_y.csv +3 -0
  549. molSimplify/tf_nn/rescaling_data/ls_ii_var_x.csv +154 -0
  550. molSimplify/tf_nn/rescaling_data/ls_ii_var_y.csv +3 -0
  551. molSimplify/tf_nn/rescaling_data/ls_iii_mean_x.csv +154 -0
  552. molSimplify/tf_nn/rescaling_data/ls_iii_mean_y.csv +3 -0
  553. molSimplify/tf_nn/rescaling_data/ls_iii_var_x.csv +154 -0
  554. molSimplify/tf_nn/rescaling_data/ls_iii_var_y.csv +3 -0
  555. molSimplify/tf_nn/rescaling_data/oxo20_mean_x.csv +154 -0
  556. molSimplify/tf_nn/rescaling_data/oxo20_mean_y.csv +1 -0
  557. molSimplify/tf_nn/rescaling_data/oxo20_var_x.csv +154 -0
  558. molSimplify/tf_nn/rescaling_data/oxo20_var_y.csv +1 -0
  559. molSimplify/tf_nn/rescaling_data/oxo_mean_x.csv +162 -0
  560. molSimplify/tf_nn/rescaling_data/oxo_mean_y.csv +1 -0
  561. molSimplify/tf_nn/rescaling_data/oxo_var_x.csv +162 -0
  562. molSimplify/tf_nn/rescaling_data/oxo_var_y.csv +1 -0
  563. molSimplify/tf_nn/rescaling_data/sc_static_clf_mean_x.csv +154 -0
  564. molSimplify/tf_nn/rescaling_data/sc_static_clf_mean_y.csv +1 -0
  565. molSimplify/tf_nn/rescaling_data/sc_static_clf_var_x.csv +154 -0
  566. molSimplify/tf_nn/rescaling_data/sc_static_clf_var_y.csv +1 -0
  567. molSimplify/tf_nn/rescaling_data/split_mean_x.csv +155 -0
  568. molSimplify/tf_nn/rescaling_data/split_mean_y.csv +1 -0
  569. molSimplify/tf_nn/rescaling_data/split_var_x.csv +155 -0
  570. molSimplify/tf_nn/rescaling_data/split_var_y.csv +1 -0
  571. molSimplify/tf_nn/sc_static_clf/sc_static_clf_model.h5 +0 -0
  572. molSimplify/tf_nn/sc_static_clf/sc_static_clf_train_name.csv +1591 -0
  573. molSimplify/tf_nn/sc_static_clf/sc_static_clf_train_x.csv +1592 -0
  574. molSimplify/tf_nn/sc_static_clf/sc_static_clf_train_y.csv +1592 -0
  575. molSimplify/tf_nn/sc_static_clf/sc_static_clf_vars.csv +154 -0
  576. molSimplify/tf_nn/split/split_model.h5 +0 -0
  577. molSimplify/tf_nn/split/split_model.json +1 -0
  578. molSimplify/tf_nn/split/split_vars.csv +155 -0
  579. molSimplify/tf_nn/split/split_x.csv +1902 -0
  580. molSimplify/tf_nn/split/split_y.csv +1902 -0
  581. molSimplify/tf_nn/split/train_names.csv +1901 -0
  582. molSimplify/utils/__init__.py +0 -0
  583. molSimplify/utils/decorators.py +16 -0
  584. molSimplify/utils/metaclasses.py +12 -0
  585. molSimplify/utils/tensorflow.py +23 -0
  586. molSimplify/utils/timer.py +16 -0
  587. molSimplify-1.7.4.dist-info/LICENSE +674 -0
  588. molSimplify-1.7.4.dist-info/METADATA +821 -0
  589. molSimplify-1.7.4.dist-info/RECORD +651 -0
  590. molSimplify-1.7.4.dist-info/WHEEL +5 -0
  591. molSimplify-1.7.4.dist-info/entry_points.txt +3 -0
  592. molSimplify-1.7.4.dist-info/top_level.txt +4 -0
  593. tests/generateTests.py +122 -0
  594. tests/helperFuncs.py +658 -0
  595. tests/informatics/test_MOF_descriptors.py +128 -0
  596. tests/informatics/test_active_learning.py +113 -0
  597. tests/informatics/test_coulomb_analyze.py +24 -0
  598. tests/informatics/test_graph_racs.py +193 -0
  599. tests/ml/test_kernels.py +20 -0
  600. tests/ml/test_layers.py +47 -0
  601. tests/runtest.py +10 -0
  602. tests/test_Mol2D.py +128 -0
  603. tests/test_basic_imports.py +62 -0
  604. tests/test_bidentate.py +25 -0
  605. tests/test_cli.py +20 -0
  606. tests/test_distgeom.py +106 -0
  607. tests/test_example_1.py +29 -0
  608. tests/test_example_3.py +31 -0
  609. tests/test_example_5.py +43 -0
  610. tests/test_example_7.py +28 -0
  611. tests/test_example_8.py +15 -0
  612. tests/test_example_tbp.py +15 -0
  613. tests/test_ff_xtb.py +111 -0
  614. tests/test_geocheck_oct.py +26 -0
  615. tests/test_geocheck_one_empty.py +15 -0
  616. tests/test_geometry.py +44 -0
  617. tests/test_inparse.py +76 -0
  618. tests/test_io.py +84 -0
  619. tests/test_jobgen.py +84 -0
  620. tests/test_joption_pythonic.py +27 -0
  621. tests/test_ligand_assign.py +58 -0
  622. tests/test_ligand_assign_consistent.py +60 -0
  623. tests/test_ligand_class.py +26 -0
  624. tests/test_ligand_from_mol_file.py +35 -0
  625. tests/test_ligands.py +86 -0
  626. tests/test_mol3D.py +337 -0
  627. tests/test_molcas_caspt2.py +15 -0
  628. tests/test_molcas_casscf.py +15 -0
  629. tests/test_old_ANNs.py +68 -0
  630. tests/test_orca_ccsdt.py +15 -0
  631. tests/test_orca_dft.py +15 -0
  632. tests/test_qcgen.py +50 -0
  633. tests/test_racs.py +124 -0
  634. tests/test_rmsd.py +68 -0
  635. tests/test_structgen_functions.py +198 -0
  636. tests/test_tetrahedral.py +29 -0
  637. tests/test_tutorial_10_part_one.py +16 -0
  638. tests/test_tutorial_10_part_two.py +15 -0
  639. tests/test_tutorial_2.py +11 -0
  640. tests/test_tutorial_3.py +15 -0
  641. tests/test_tutorial_4.py +57 -0
  642. tests/test_tutorial_6.py +10 -0
  643. tests/test_tutorial_8.py +29 -0
  644. tests/test_tutorial_9_part_one.py +15 -0
  645. tests/test_tutorial_9_part_two.py +15 -0
  646. tests/test_tutorial_qm9_part_one.py +6 -0
  647. tests/testresources/refs/racs/generate_references.py +85 -0
  648. workflows/NandyJACSAu2022/bridge_functionalizer.py +253 -0
  649. workflows/NandyJACSAu2022/frag_functionalizer.py +242 -0
  650. workflows/NandyJACSAu2022/fragment_classes.py +586 -0
  651. workflows/NandyJACSAu2022/macrocycle_synthesis.py +179 -0
molSimplify/tf_nn/geo_static_clf/geo_static_clf_train_name.csv ADDED
@@ -0,0 +1,1591 @@
1
+ cr_3_eq_[C-]#[O+]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_4
2
+ cr_2_eq_N_ax1_C=O_ax2_C=O_ahf_20_5
3
+ co_2_eq_[S--]_ax1_N_ax2_[S--]_ahf_20_2
4
+ mn_2_eq_N#CC_ax1_[OH2]_ax2_[OH2]_ahf_20_2
5
+ mn_3_eq_[PH3]_ax1_[OH2]_ax2_[OH2]_ahf_20_5
6
+ fe_3_eq_[OH-]_ax1_[PH3]_ax2_[SH2]_ahf_20_2
7
+ fe_3_eq_N#CC_ax1_[OH2]_ax2_[C-]#[O+]_ahf_20_6
8
+ fe_3_eq_[SH2]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_[C-]#[O+]_ahf_20_6
9
+ cr_2_eq_C=O_ax1_N#[C-]_ax2_N#[C-]_ahf_20_5
10
+ mn_3_eq_[I-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_5
11
+ cr_3_eq_[F-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_4
12
+ fe_3_eq_[PH3]_ax1_[S--]_ax2_[S--]_ahf_20_2
13
+ cr_3_eq_N#C[O-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_2
14
+ co_3_eq_[O-][O-]_ax1_N#CC_ax2_[S--]_ahf_20_5
15
+ fe_3_eq_[OH-]_ax1_c1ccncc1_ax2_[PH3]_ahf_20_2
16
+ co_2_eq_N#[C-]_ax1_C=O_ax2_[PH3]_ahf_20_2
17
+ mn_3_eq_C=O_ax1_N#CC_ax2_N#CC_ahf_20_5
18
+ fe_3_eq_N_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_6
19
+ mn_2_eq_[PH3]_ax1_C=O_ax2_C=O_ahf_20_2
20
+ fe_2_eq_c1ccncc1_ax1_N#CC_ax2_N_ahf_20_5
21
+ cr_3_eq_[O-][O-]_ax1_[OH2]_ax2_[F-]_ahf_20_2
22
+ fe_3_eq_[S--]_ax1_N#CC_ax2_N#CC_ahf_20_2
23
+ mn_2_eq_N#CC_ax1_N#CC_ax2_N#CC_ahf_20_2
24
+ cr_3_eq_N_ax1_[O-][O-]_ax2_N#C[O-]_ahf_20_2
25
+ cr_2_eq_[O-][O-]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_5
26
+ co_2_eq_[SH2]_ax1_N#[C-]_ax2_N#CC_ahf_20_2
27
+ cr_3_eq_N#[C-]_ax1_[SH2]_ax2_[SH2]_ahf_20_4
28
+ co_2_eq_N#[C-]_ax1_[S--]_ax2_[F-]_ahf_20_2
29
+ fe_2_eq_[C-]#[O+]_ax1_N_ax2_[PH3]_ahf_20_5
30
+ mn_2_eq_N_ax1_[OH2]_ax2_[OH2]_ahf_20_6
31
+ fe_3_eq_[C-]#[O+]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_6
32
+ mn_2_eq_N_ax1_N#CC_ax2_N#CC_ahf_20_6
33
+ fe_2_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_C=O_ax2_[F-]_ahf_20_5
34
+ fe_2_eq_N#CC_ax1_N#[C-]_ax2_[C-]#[O+]_ahf_20_5
35
+ mn_3_eq_[PH3]_ax1_[SH2]_ax2_[SH2]_ahf_20_5
36
+ mn_2_eq_c1ccncc1_ax1_N#CC_ax2_N#CC_ahf_20_6
37
+ fe_2_eq_[F-]_ax1_C=O_ax2_[F-]_ahf_20_5
38
+ co_3_eq_c1ccncc1_ax1_N_ax2_N_ahf_20_5
39
+ fe_3_eq_[SH2]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_[C-]#[O+]_ahf_20_2
40
+ cr_3_eq_[O-][O-]_ax1_N_ax2_[F-]_ahf_20_4
41
+ mn_3_eq_N#CC_ax1_[I-]_ax2_[PH3]_ahf_20_5
42
+ cr_3_eq_[PH3]_ax1_[I-]_ax2_[I-]_ahf_20_4
43
+ mn_3_eq_N_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_5
44
+ co_3_eq_C=O_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
45
+ mn_2_eq_[OH2]_ax1_c1ccncc1_ax2_[SH2]_ahf_20_6
46
+ mn_2_eq_N#CC_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_[SH2]_ahf_20_6
47
+ fe_3_eq_[O-][O-]_ax1_[I-]_ax2_C=O_ahf_20_6
48
+ cr_2_eq_N#CC_ax1_[PH3]_ax2_[PH3]_ahf_20_5
49
+ mn_2_eq_[O-][O-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_6
50
+ mn_2_eq_c1ccncc1_ax1_N#[C-]_ax2_[F-]_ahf_20_2
51
+ co_2_eq_N_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_[C-]#[O+]_ahf_20_2
52
+ cr_2_eq_[S--]_ax1_N#CC_ax2_N#CC_ahf_20_5
53
+ co_2_eq_N#[C-]_ax1_[OH2]_ax2_[OH2]_ahf_20_2
54
+ co_2_eq_N_ax1_[I-]_ax2_N_ahf_20_4
55
+ cr_2_eq_[PH3]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_5
56
+ mn_3_eq_[SH2]_ax1_[PH3]_ax2_[PH3]_ahf_20_5
57
+ mn_3_eq_N#CC_ax1_[O-][O-]_ax2_N#C[O-]_ahf_20_5
58
+ co_3_eq_[C-]#[O+]_ax1_[O-][O-]_ax2_[C-]#[O+]_ahf_20_5
59
+ cr_2_eq_C=O_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_5
60
+ mn_3_eq_[C-]#[O+]_ax1_[OH-]_ax2_[OH-]_ahf_20_5
61
+ co_2_eq_[SH2]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_4
62
+ cr_2_eq_[OH2]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
63
+ mn_2_eq_c1ccncc1_ax1_c1ccncc1_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_6
64
+ cr_3_eq_c1ccncc1_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
65
+ cr_3_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
66
+ cr_3_eq_[O-][O-]_ax1_[OH2]_ax2_[F-]_ahf_20_4
67
+ mn_2_eq_C=O_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_6
68
+ co_2_eq_[SH2]_ax1_N#[C-]_ax2_N#CC_ahf_20_4
69
+ fe_2_eq_N#CC_ax1_[OH2]_ax2_[C-]#[O+]_ahf_20_5
70
+ cr_3_eq_N_ax1_[PH3]_ax2_[SH2]_ahf_20_4
71
+ mn_2_eq_N_ax1_[I-]_ax2_[I-]_ahf_20_2
72
+ co_2_eq_[SH2]_ax1_C=O_ax2_C=O_ahf_20_2
73
+ mn_2_eq_C=O_ax1_c1ccncc1_ax2_C=O_ahf_20_2
74
+ mn_2_eq_C=O_ax1_[OH-]_ax2_[OH-]_ahf_20_6
75
+ co_3_eq_[OH-]_ax1_[OH-]_ax2_N#CC_ahf_20_5
76
+ mn_3_eq_[SH2]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_5
77
+ mn_2_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_[O-][O-]_ax2_[SH2]_ahf_20_2
78
+ cr_3_eq_[C-]#[O+]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_2
79
+ mn_2_eq_[SH2]_ax1_[SH2]_ax2_[SH2]_ahf_20_6
80
+ fe_3_eq_[OH-]_ax1_[S--]_ax2_[PH3]_ahf_20_6
81
+ cr_3_eq_[I-]_ax1_[OH2]_ax2_[C-]#[O+]_ahf_20_2
82
+ cr_3_eq_[O-][O-]_ax1_[OH-]_ax2_[OH-]_ahf_20_2
83
+ co_2_eq_[C-]#[O+]_ax1_[OH2]_ax2_C=O_ahf_20_4
84
+ co_3_eq_[C-]#[O+]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_5
85
+ cr_3_eq_N_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
86
+ mn_3_eq_c1ccncc1_ax1_N_ax2_[C-]#[O+]_ahf_20_5
87
+ fe_3_eq_N_ax1_c1ccncc1_ax2_N_ahf_20_6
88
+ mn_2_eq_N_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_2
89
+ co_2_eq_c1ccncc1_ax1_[OH2]_ax2_[OH2]_ahf_20_4
90
+ mn_2_eq_C=O_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_2
91
+ mn_3_eq_[I-]_ax1_[OH-]_ax2_[OH2]_ahf_20_5
92
+ cr_3_eq_N#C[O-]_ax1_N_ax2_N_ahf_20_4
93
+ mn_3_eq_[SH2]_ax1_[C-]#[O+]_ax2_[F-]_ahf_20_5
94
+ cr_2_eq_[OH-]_ax1_N#C[O-]_ax2_N#CC_ahf_20_5
95
+ co_2_eq_[SH2]_ax1_[OH2]_ax2_[OH2]_ahf_20_4
96
+ cr_2_eq_[I-]_ax1_[OH2]_ax2_[C-]#[O+]_ahf_20_5
97
+ cr_3_eq_[O-][O-]_ax1_N_ax2_[F-]_ahf_20_2
98
+ mn_2_eq_[O-][O-]_ax1_N_ax2_N_ahf_20_2
99
+ cr_3_eq_[OH2]_ax1_N#CC_ax2_N#CC_ahf_20_2
100
+ cr_2_eq_N#C[O-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_5
101
+ cr_3_eq_[PH3]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_2
102
+ fe_3_eq_[PH3]_ax1_N_ax2_[F-]_ahf_20_6
103
+ fe_3_eq_[OH2]_ax1_N#CC_ax2_N#CC_ahf_20_2
104
+ cr_3_eq_[I-]_ax1_[PH3]_ax2_[PH3]_ahf_20_4
105
+ mn_2_eq_[PH3]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_6
106
+ fe_3_eq_N#CC_ax1_N_ax2_[SH2]_ahf_20_2
107
+ fe_3_eq_[OH-]_ax1_N_ax2_N_ahf_20_2
108
+ mn_3_eq_[SH2]_ax1_N_ax2_[S--]_ahf_20_5
109
+ cr_3_eq_[S--]_ax1_N#CC_ax2_[C-]#[O+]_ahf_20_4
110
+ fe_3_eq_C=O_ax1_c1ccncc1_ax2_[F-]_ahf_20_2
111
+ co_3_eq_[PH3]_ax1_N#CC_ax2_N#CC_ahf_20_5
112
+ fe_3_eq_N#CC_ax1_N#[C-]_ax2_[C-]#[O+]_ahf_20_6
113
+ fe_3_eq_N_ax1_c1ccncc1_ax2_C=O_ahf_20_6
114
+ cr_3_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_N#C[O-]_ax2_[F-]_ahf_20_4
115
+ co_2_eq_[PH3]_ax1_[I-]_ax2_[OH2]_ahf_20_2
116
+ mn_2_eq_N#CC_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_6
117
+ co_2_eq_[OH2]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_4
118
+ fe_3_eq_[C-]#[O+]_ax1_[O-][O-]_ax2_N#CC_ahf_20_2
119
+ mn_3_eq_[OH2]_ax1_N_ax2_N_ahf_20_5
120
+ cr_3_eq_c1ccncc1_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_4
121
+ cr_3_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_[I-]_ax2_[I-]_ahf_20_2
122
+ cr_2_eq_[I-]_ax1_[SH2]_ax2_[SH2]_ahf_20_5
123
+ co_3_eq_N#C[O-]_ax1_[OH-]_ax2_C=O_ahf_20_5
124
+ cr_3_eq_c1ccncc1_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_4
125
+ co_2_eq_[C-]#[O+]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_2
126
+ co_3_eq_N#CC_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_5
127
+ co_3_eq_[F-]_ax1_[PH3]_ax2_[PH3]_ahf_20_5
128
+ cr_2_eq_[OH2]_ax1_N#CC_ax2_N#CC_ahf_20_5
129
+ fe_2_eq_N#C[O-]_ax1_[OH2]_ax2_[SH2]_ahf_20_5
130
+ mn_3_eq_[SH2]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
131
+ co_2_eq_C=O_ax1_N#CC_ax2_[PH3]_ahf_20_2
132
+ mn_2_eq_c1ccncc1_ax1_[SH2]_ax2_[SH2]_ahf_20_6
133
+ fe_2_eq_[SH2]_ax1_[OH-]_ax2_N#[C-]_ahf_20_5
134
+ mn_2_eq_N#CC_ax1_[O-][O-]_ax2_N#C[O-]_ahf_20_2
135
+ mn_3_eq_N#C[O-]_ax1_[PH3]_ax2_[PH3]_ahf_20_5
136
+ co_3_eq_N#[C-]_ax1_c1ccncc1_ax2_[F-]_ahf_20_5
137
+ mn_2_eq_[PH3]_ax1_[SH2]_ax2_[SH2]_ahf_20_2
138
+ mn_3_eq_[OH-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_5
139
+ fe_3_eq_N_ax1_[SH2]_ax2_[SH2]_ahf_20_2
140
+ fe_2_eq_[O-][O-]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_5
141
+ co_3_eq_[PH3]_ax1_[I-]_ax2_[OH2]_ahf_20_5
142
+ fe_3_eq_N#CC_ax1_[PH3]_ax2_[PH3]_ahf_20_6
143
+ co_2_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_2
144
+ cr_2_eq_[PH3]_ax1_N#[C-]_ax2_C=O_ahf_20_5
145
+ co_3_eq_[PH3]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_5
146
+ mn_2_eq_[SH2]_ax1_N_ax2_[S--]_ahf_20_6
147
+ cr_3_eq_[I-]_ax1_[PH3]_ax2_[PH3]_ahf_20_2
148
+ fe_2_eq_c1ccncc1_ax1_C=O_ax2_C=O_ahf_20_5
149
+ mn_2_eq_C=O_ax1_[PH3]_ax2_[PH3]_ahf_20_6
150
+ co_3_eq_[OH-]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
151
+ fe_3_eq_[OH-]_ax1_[F-]_ax2_[F-]_ahf_20_6
152
+ cr_3_eq_[I-]_ax1_[F-]_ax2_[F-]_ahf_20_4
153
+ fe_3_eq_N#C[O-]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
154
+ fe_2_eq_[SH2]_ax1_c1ccncc1_ax2_C=O_ahf_20_5
155
+ cr_2_eq_[O-][O-]_ax1_C=O_ax2_C=O_ahf_20_5
156
+ fe_3_eq_[OH-]_ax1_N_ax2_N_ahf_20_6
157
+ mn_2_eq_N#CC_ax1_c1ccncc1_ax2_[F-]_ahf_20_2
158
+ cr_3_eq_C=O_ax1_N#C[O-]_ax2_[PH3]_ahf_20_4
159
+ mn_3_eq_N#C[O-]_ax1_[C-]#[O+]_ax2_[F-]_ahf_20_5
160
+ mn_2_eq_N#C[O-]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_6
161
+ mn_2_eq_[OH2]_ax1_[OH2]_ax2_[OH2]_ahf_20_2
162
+ fe_2_eq_[O-][O-]_ax1_N_ax2_N_ahf_20_5
163
+ co_2_eq_N_ax1_[OH2]_ax2_[OH2]_ahf_20_2
164
+ mn_3_eq_[F-]_ax1_N#CC_ax2_c1ccncc1_ahf_20_5
165
+ cr_3_eq_c1ccncc1_ax1_N#CC_ax2_N#CC_ahf_20_4
166
+ cr_3_eq_[OH-]_ax1_C=O_ax2_C=O_ahf_20_2
167
+ cr_3_eq_N#CC_ax1_[O-][O-]_ax2_c1ccncc1_ahf_20_4
168
+ co_2_eq_c1ccncc1_ax1_N#CC_ax2_N#CC_ahf_20_2
169
+ fe_2_eq_[C-]#[O+]_ax1_[O-][O-]_ax2_N#CC_ahf_20_5
170
+ co_2_eq_[OH2]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_4
171
+ fe_3_eq_N#[C-]_ax1_N_ax2_N_ahf_20_2
172
+ mn_2_eq_N#[C-]_ax1_C=O_ax2_C=O_ahf_20_2
173
+ co_2_eq_N#CC_ax1_[OH-]_ax2_N#CC_ahf_20_2
174
+ co_3_eq_[OH2]_ax1_[OH2]_ax2_N#CC_ahf_20_5
175
+ co_2_eq_[C-]#[O+]_ax1_[OH2]_ax2_N_ahf_20_2
176
+ cr_3_eq_N#CC_ax1_[O-][O-]_ax2_c1ccncc1_ahf_20_2
177
+ fe_2_eq_[S--]_ax1_[O-][O-]_ax2_C=O_ahf_20_5
178
+ mn_2_eq_[PH3]_ax1_[OH2]_ax2_[OH2]_ahf_20_2
179
+ co_2_eq_[I-]_ax1_N_ax2_N_ahf_20_2
180
+ mn_2_eq_C=O_ax1_c1ccncc1_ax2_[F-]_ahf_20_2
181
+ mn_2_eq_[OH2]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
182
+ co_2_eq_c1ccncc1_ax1_[I-]_ax2_N_ahf_20_2
183
+ mn_2_eq_[I-]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_6
184
+ mn_3_eq_[OH2]_ax1_N#CC_ax2_[PH3]_ahf_20_5
185
+ co_2_eq_N_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_4
186
+ cr_3_eq_N_ax1_c1ccncc1_ax2_[PH3]_ahf_20_4
187
+ mn_2_eq_[SH2]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
188
+ co_3_eq_N_ax1_N_ax2_N_ahf_20_5
189
+ cr_3_eq_C=O_ax1_C=O_ax2_C=O_ahf_20_2
190
+ mn_2_eq_[C-]#[O+]_ax1_N#CC_ax2_N#CC_ahf_20_2
191
+ co_2_eq_N#CC_ax1_[I-]_ax2_[I-]_ahf_20_4
192
+ fe_3_eq_N_ax1_[PH3]_ax2_[PH3]_ahf_20_6
193
+ cr_3_eq_[PH3]_ax1_C=O_ax2_C=O_ahf_20_4
194
+ mn_2_eq_N_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_C=O_ahf_20_2
195
+ mn_2_eq_N_ax1_[OH-]_ax2_[SH2]_ahf_20_2
196
+ mn_2_eq_C=O_ax1_[S--]_ax2_[F-]_ahf_20_2
197
+ cr_2_eq_N#C[O-]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_5
198
+ co_3_eq_c1ccncc1_ax1_[PH3]_ax2_[PH3]_ahf_20_5
199
+ cr_3_eq_[S--]_ax1_N_ax2_N_ahf_20_2
200
+ mn_2_eq_[OH2]_ax1_N#CC_ax2_[PH3]_ahf_20_2
201
+ co_2_eq_N#[C-]_ax1_N#[C-]_ax2_[PH3]_ahf_20_2
202
+ cr_3_eq_[OH2]_ax1_N#C[O-]_ax2_[OH2]_ahf_20_4
203
+ mn_3_eq_[PH3]_ax1_[OH2]_ax2_[OH2]_ahf_20_5
204
+ mn_2_eq_[OH2]_ax1_[OH2]_ax2_[OH2]_ahf_20_6
205
+ co_2_eq_[OH-]_ax1_[F-]_ax2_[F-]_ahf_20_2
206
+ fe_3_eq_C=O_ax1_C=O_ax2_C=O_ahf_20_2
207
+ fe_2_eq_C=O_ax1_[SH2]_ax2_[SH2]_ahf_20_5
208
+ cr_3_eq_N#CC_ax1_N_ax2_N_ahf_20_4
209
+ mn_2_eq_C=O_ax1_[OH-]_ax2_C=O_ahf_20_6
210
+ mn_3_eq_[O-][O-]_ax1_[OH2]_ax2_c1ccncc1_ahf_20_5
211
+ co_2_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_[F-]_ax2_[F-]_ahf_20_2
212
+ cr_3_eq_[OH2]_ax1_[O-][O-]_ax2_C=O_ahf_20_4
213
+ fe_2_eq_[I-]_ax1_[PH3]_ax2_[PH3]_ahf_20_5
214
+ fe_3_eq_[SH2]_ax1_c1ccncc1_ax2_C=O_ahf_20_6
215
+ mn_3_eq_N#CC_ax1_N_ax2_N_ahf_20_5
216
+ mn_3_eq_[OH2]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
217
+ cr_3_eq_[OH-]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_4
218
+ fe_2_eq_[SH2]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_5
219
+ mn_2_eq_N_ax1_[OH2]_ax2_[OH2]_ahf_20_2
220
+ mn_2_eq_N#C[O-]_ax1_[PH3]_ax2_[PH3]_ahf_20_6
221
+ fe_3_eq_N#C[O-]_ax1_[OH2]_ax2_[OH2]_ahf_20_2
222
+ co_2_eq_[PH3]_ax1_[OH2]_ax2_[OH2]_ahf_20_4
223
+ cr_3_eq_[F-]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_4
224
+ cr_3_eq_[OH2]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
225
+ mn_3_eq_[SH2]_ax1_N#[C-]_ax2_C=O_ahf_20_5
226
+ mn_2_eq_[PH3]_ax1_[O-][O-]_ax2_[OH2]_ahf_20_6
227
+ mn_2_eq_[S--]_ax1_[I-]_ax2_N#CC_ahf_20_2
228
+ mn_2_eq_C=O_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_6
229
+ cr_3_eq_N#[C-]_ax1_[C-]#[O+]_ax2_[SH2]_ahf_20_4
230
+ mn_3_eq_[I-]_ax1_[F-]_ax2_[F-]_ahf_20_5
231
+ cr_2_eq_[S--]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_5
232
+ fe_2_eq_[O-][O-]_ax1_[OH-]_ax2_[OH-]_ahf_20_5
233
+ cr_2_eq_N#C[O-]_ax1_[F-]_ax2_[F-]_ahf_20_5
234
+ mn_2_eq_C=O_ax1_[OH2]_ax2_N_ahf_20_6
235
+ fe_2_eq_N#CC_ax1_[OH-]_ax2_[OH-]_ahf_20_5
236
+ co_2_eq_[OH2]_ax1_C=O_ax2_C=O_ahf_20_4
237
+ fe_2_eq_N_ax1_N#[C-]_ax2_[C-]#[O+]_ahf_20_5
238
+ fe_2_eq_[OH-]_ax1_[PH3]_ax2_[SH2]_ahf_20_5
239
+ co_2_eq_N#CC_ax1_[I-]_ax2_[I-]_ahf_20_2
240
+ co_2_eq_N#[C-]_ax1_N#C[O-]_ax2_[OH-]_ahf_20_4
241
+ cr_3_eq_N#[C-]_ax1_[O-][O-]_ax2_N_ahf_20_2
242
+ cr_3_eq_c1ccncc1_ax1_[OH2]_ax2_[OH2]_ahf_20_2
243
+ co_2_eq_C=O_ax1_[OH2]_ax2_[OH2]_ahf_20_4
244
+ cr_3_eq_c1ccncc1_ax1_[PH3]_ax2_[PH3]_ahf_20_2
245
+ mn_3_eq_N#CC_ax1_c1ccncc1_ax2_[F-]_ahf_20_5
246
+ fe_3_eq_N#CC_ax1_[I-]_ax2_N#[C-]_ahf_20_2
247
+ co_3_eq_[I-]_ax1_[F-]_ax2_[SH2]_ahf_20_5
248
+ co_3_eq_C=O_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_5
249
+ cr_3_eq_[OH2]_ax1_N#C[O-]_ax2_c1ccncc1_ahf_20_4
250
+ cr_3_eq_N#C[O-]_ax1_[F-]_ax2_[F-]_ahf_20_4
251
+ mn_3_eq_[I-]_ax1_N_ax2_N_ahf_20_5
252
+ cr_3_eq_[C-]#[O+]_ax1_[S--]_ax2_[S--]_ahf_20_2
253
+ fe_2_eq_N_ax1_c1ccncc1_ax2_C=O_ahf_20_5
254
+ mn_3_eq_[C-]#[O+]_ax1_[OH2]_ax2_[OH2]_ahf_20_5
255
+ mn_2_eq_[F-]_ax1_[OH-]_ax2_[OH-]_ahf_20_2
256
+ co_2_eq_c1ccncc1_ax1_[PH3]_ax2_[PH3]_ahf_20_4
257
+ mn_3_eq_N#CC_ax1_[OH-]_ax2_[OH-]_ahf_20_5
258
+ cr_3_eq_C=O_ax1_N_ax2_N_ahf_20_4
259
+ co_2_eq_N#CC_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
260
+ fe_2_eq_[PH3]_ax1_N#C[O-]_ax2_[F-]_ahf_20_5
261
+ co_2_eq_N#CC_ax1_[OH-]_ax2_[OH-]_ahf_20_2
262
+ cr_3_eq_[I-]_ax1_[I-]_ax2_[I-]_ahf_20_4
263
+ co_3_eq_c1ccncc1_ax1_[PH3]_ax2_[PH3]_ahf_20_5
264
+ fe_3_eq_[S--]_ax1_[I-]_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_2
265
+ fe_2_eq_[SH2]_ax1_[I-]_ax2_[I-]_ahf_20_5
266
+ mn_2_eq_C=O_ax1_[OH-]_ax2_C=O_ahf_20_2
267
+ mn_2_eq_N_ax1_N#C[O-]_ax2_[OH2]_ahf_20_2
268
+ co_2_eq_c1ccncc1_ax1_N_ax2_N_ahf_20_2
269
+ mn_2_eq_N#CC_ax1_[O-][O-]_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_6
270
+ co_3_eq_N#C[O-]_ax1_[PH3]_ax2_[SH2]_ahf_20_5
271
+ fe_3_eq_N#CC_ax1_N#CC_ax2_N_ahf_20_6
272
+ co_3_eq_N#C[O-]_ax1_N#CC_ax2_[F-]_ahf_20_5
273
+ cr_2_eq_[S--]_ax1_[S--]_ax2_[PH3]_ahf_20_5
274
+ mn_3_eq_N#CC_ax1_[S--]_ax2_[S--]_ahf_20_5
275
+ cr_3_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_[SH2]_ax2_[SH2]_ahf_20_2
276
+ co_2_eq_[OH2]_ax1_[I-]_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_2
277
+ co_2_eq_N#[C-]_ax1_C=O_ax2_C=O_ahf_20_2
278
+ mn_2_eq_[OH-]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_6
279
+ co_2_eq_[PH3]_ax1_N_ax2_N_ahf_20_2
280
+ co_3_eq_[OH-]_ax1_[O-][O-]_ax2_[F-]_ahf_20_5
281
+ cr_2_eq_[S--]_ax1_N_ax2_N_ahf_20_5
282
+ co_2_eq_[O-][O-]_ax1_C=O_ax2_C=O_ahf_20_2
283
+ co_2_eq_N_ax1_N#CC_ax2_N#CC_ahf_20_2
284
+ fe_3_eq_N#C[O-]_ax1_[SH2]_ax2_[SH2]_ahf_20_2
285
+ mn_2_eq_[OH-]_ax1_[F-]_ax2_[F-]_ahf_20_6
286
+ co_3_eq_[PH3]_ax1_[OH-]_ax2_c1ccncc1_ahf_20_5
287
+ fe_3_eq_[SH2]_ax1_[I-]_ax2_[I-]_ahf_20_6
288
+ mn_2_eq_N#[C-]_ax1_[OH2]_ax2_[OH2]_ahf_20_2
289
+ cr_3_eq_N_ax1_N#[C-]_ax2_N#[C-]_ahf_20_4
290
+ cr_2_eq_C=O_ax1_[S--]_ax2_[S--]_ahf_20_5
291
+ mn_2_eq_C=O_ax1_N#C[O-]_ax2_[S--]_ahf_20_6
292
+ fe_3_eq_[SH2]_ax1_[PH3]_ax2_[PH3]_ahf_20_6
293
+ mn_2_eq_N_ax1_[SH2]_ax2_[SH2]_ahf_20_6
294
+ co_2_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_[OH-]_ax2_[OH-]_ahf_20_2
295
+ mn_2_eq_[F-]_ax1_[O-][O-]_ax2_N#C[O-]_ahf_20_2
296
+ cr_2_eq_c1ccncc1_ax1_[OH2]_ax2_[OH2]_ahf_20_5
297
+ fe_3_eq_[C-]#[O+]_ax1_N#[C-]_ax2_[PH3]_ahf_20_6
298
+ fe_3_eq_[C-]#[O+]_ax1_[OH-]_ax2_c1ccncc1_ahf_20_6
299
+ cr_3_eq_[OH2]_ax1_N#C[O-]_ax2_[OH2]_ahf_20_2
300
+ mn_3_eq_[O-][O-]_ax1_[I-]_ax2_C=O_ahf_20_5
301
+ fe_3_eq_C=O_ax1_N#[C-]_ax2_N#CC_ahf_20_6
302
+ cr_3_eq_[PH3]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_4
303
+ mn_3_eq_[O-][O-]_ax1_N#CC_ax2_N#CC_ahf_20_5
304
+ co_2_eq_[OH2]_ax1_[PH3]_ax2_[PH3]_ahf_20_4
305
+ mn_3_eq_C=O_ax1_N#C[O-]_ax2_[PH3]_ahf_20_5
306
+ mn_3_eq_N_ax1_N_ax2_N_ahf_20_5
307
+ mn_3_eq_[O-][O-]_ax1_[OH2]_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_5
308
+ fe_3_eq_[OH2]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
309
+ mn_2_eq_C=O_ax1_N#[C-]_ax2_N#[C-]_ahf_20_2
310
+ fe_3_eq_N#[C-]_ax1_[OH-]_ax2_[S--]_ahf_20_2
311
+ co_2_eq_N#[C-]_ax1_c1ccncc1_ax2_[F-]_ahf_20_2
312
+ fe_3_eq_[SH2]_ax1_N#C[O-]_ax2_[S--]_ahf_20_6
313
+ co_2_eq_C=O_ax1_[OH2]_ax2_[S--]_ahf_20_2
314
+ mn_3_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_[O-][O-]_ax2_[SH2]_ahf_20_5
315
+ co_2_eq_[OH2]_ax1_[I-]_ax2_[I-]_ahf_20_2
316
+ cr_2_eq_[O-][O-]_ax1_[PH3]_ax2_[PH3]_ahf_20_5
317
+ fe_3_eq_[F-]_ax1_[OH2]_ax2_[OH2]_ahf_20_2
318
+ cr_3_eq_[SH2]_ax1_C=O_ax2_C=O_ahf_20_2
319
+ mn_3_eq_N#[C-]_ax1_[OH2]_ax2_[OH2]_ahf_20_5
320
+ cr_2_eq_C=O_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
321
+ co_2_eq_[SH2]_ax1_[OH-]_ax2_[PH3]_ahf_20_4
322
+ cr_3_eq_N#C[O-]_ax1_[OH-]_ax2_[OH-]_ahf_20_4
323
+ cr_2_eq_N#C[O-]_ax1_[OH-]_ax2_[OH-]_ahf_20_5
324
+ cr_3_eq_C=O_ax1_[SH2]_ax2_[SH2]_ahf_20_2
325
+ cr_3_eq_[OH2]_ax1_[PH3]_ax2_[PH3]_ahf_20_4
326
+ co_2_eq_[PH3]_ax1_[OH-]_ax2_N#CC_ahf_20_4
327
+ co_2_eq_N_ax1_[PH3]_ax2_[PH3]_ahf_20_2
328
+ cr_3_eq_C=O_ax1_c1ccncc1_ax2_[F-]_ahf_20_4
329
+ fe_3_eq_N#[C-]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_2
330
+ fe_3_eq_[F-]_ax1_N#CC_ax2_N#CC_ahf_20_6
331
+ cr_3_eq_c1ccncc1_ax1_[OH2]_ax2_[OH2]_ahf_20_4
332
+ mn_2_eq_[OH2]_ax1_C=O_ax2_C=O_ahf_20_2
333
+ mn_2_eq_[SH2]_ax1_c1ccncc1_ax2_[SH2]_ahf_20_2
334
+ cr_3_eq_N#C[O-]_ax1_N_ax2_[S--]_ahf_20_4
335
+ mn_3_eq_N_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_5
336
+ co_2_eq_[C-]#[O+]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_4
337
+ fe_2_eq_c1ccncc1_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
338
+ mn_2_eq_C=O_ax1_N_ax2_N_ahf_20_6
339
+ co_2_eq_[OH2]_ax1_[SH2]_ax2_[SH2]_ahf_20_2
340
+ cr_3_eq_[I-]_ax1_[SH2]_ax2_[SH2]_ahf_20_4
341
+ cr_3_eq_[PH3]_ax1_[OH-]_ax2_[PH3]_ahf_20_2
342
+ mn_2_eq_[F-]_ax1_[O-][O-]_ax2_C=O_ahf_20_2
343
+ co_2_eq_[S--]_ax1_[I-]_ax2_N#C[O-]_ahf_20_2
344
+ fe_2_eq_[PH3]_ax1_N#CC_ax2_N#CC_ahf_20_5
345
+ co_2_eq_c1ccncc1_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
346
+ co_2_eq_N_ax1_N#C[O-]_ax2_N#CC_ahf_20_2
347
+ cr_2_eq_c1ccncc1_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
348
+ mn_2_eq_N_ax1_C=O_ax2_C=O_ahf_20_6
349
+ mn_3_eq_[OH2]_ax1_[OH2]_ax2_[OH2]_ahf_20_5
350
+ mn_2_eq_[C-]#[O+]_ax1_[OH2]_ax2_[OH2]_ahf_20_6
351
+ co_2_eq_N#CC_ax1_[OH-]_ax2_[C-]#[O+]_ahf_20_4
352
+ co_2_eq_N_ax1_[OH-]_ax2_c1ccncc1_ahf_20_2
353
+ co_2_eq_[F-]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_[PH3]_ahf_20_2
354
+ fe_2_eq_C=O_ax1_C=O_ax2_C=O_ahf_20_5
355
+ co_2_eq_[O-][O-]_ax1_C=O_ax2_C=O_ahf_20_4
356
+ mn_2_eq_N_ax1_N_ax2_N_ahf_20_2
357
+ cr_3_eq_N#[C-]_ax1_[OH-]_ax2_[OH-]_ahf_20_2
358
+ fe_3_eq_[PH3]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_6
359
+ mn_2_eq_N#C[O-]_ax1_N_ax2_[PH3]_ahf_20_2
360
+ mn_2_eq_[OH-]_ax1_N_ax2_C=O_ahf_20_2
361
+ cr_3_eq_N_ax1_C=O_ax2_C=O_ahf_20_2
362
+ mn_2_eq_[SH2]_ax1_C=O_ax2_C=O_ahf_20_2
363
+ fe_2_eq_c1ccncc1_ax1_[PH3]_ax2_[PH3]_ahf_20_5
364
+ cr_2_eq_[OH-]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
365
+ mn_3_eq_N#C[O-]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_5
366
+ co_2_eq_[PH3]_ax1_C=O_ax2_C=O_ahf_20_2
367
+ fe_2_eq_C=O_ax1_N#[C-]_ax2_N#CC_ahf_20_5
368
+ co_2_eq_c1ccncc1_ax1_[SH2]_ax2_[SH2]_ahf_20_2
369
+ mn_2_eq_[O-][O-]_ax1_[OH2]_ax2_c1ccncc1_ahf_20_2
370
+ cr_3_eq_[OH2]_ax1_[C-]#[O+]_ax2_[PH3]_ahf_20_4
371
+ mn_2_eq_[O-][O-]_ax1_N#CC_ax2_N#CC_ahf_20_6
372
+ fe_3_eq_[F-]_ax1_N_ax2_N_ahf_20_2
373
+ cr_3_eq_c1ccncc1_ax1_N_ax2_N_ahf_20_4
374
+ cr_3_eq_[O-][O-]_ax1_[OH-]_ax2_[OH2]_ahf_20_4
375
+ co_3_eq_[I-]_ax1_[I-]_ax2_[I-]_ahf_20_5
376
+ co_3_eq_c1ccncc1_ax1_N#[C-]_ax2_N#[C-]_ahf_20_5
377
+ cr_3_eq_N_ax1_c1ccncc1_ax2_[SH2]_ahf_20_4
378
+ fe_3_eq_N_ax1_[OH2]_ax2_[OH2]_ahf_20_2
379
+ co_2_eq_N#CC_ax1_[SH2]_ax2_[SH2]_ahf_20_2
380
+ cr_3_eq_[PH3]_ax1_[SH2]_ax2_[SH2]_ahf_20_2
381
+ cr_2_eq_[O-][O-]_ax1_N#CC_ax2_N#CC_ahf_20_5
382
+ fe_3_eq_[C-]#[O+]_ax1_N#C[O-]_ax2_[OH2]_ahf_20_2
383
+ fe_3_eq_C=O_ax1_[SH2]_ax2_[SH2]_ahf_20_2
384
+ cr_3_eq_[PH3]_ax1_N#[C-]_ax2_C=O_ahf_20_4
385
+ mn_2_eq_[O-][O-]_ax1_[O-][O-]_ax2_[I-]_ahf_20_6
386
+ fe_3_eq_[F-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_6
387
+ mn_2_eq_C=O_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_2
388
+ cr_3_eq_N_ax1_N_ax2_N_ahf_20_2
389
+ co_2_eq_[OH-]_ax1_[OH-]_ax2_[PH3]_ahf_20_4
390
+ fe_3_eq_N#C[O-]_ax1_N#CC_ax2_N#CC_ahf_20_2
391
+ cr_2_eq_N_ax1_[OH2]_ax2_[OH2]_ahf_20_5
392
+ mn_2_eq_[PH3]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_6
393
+ mn_2_eq_C=O_ax1_N#[C-]_ax2_N#[C-]_ahf_20_6
394
+ fe_2_eq_[OH2]_ax1_[OH2]_ax2_[OH2]_ahf_20_5
395
+ cr_3_eq_[SH2]_ax1_[OH2]_ax2_[OH2]_ahf_20_2
396
+ cr_3_eq_N#C[O-]_ax1_[PH3]_ax2_[PH3]_ahf_20_2
397
+ co_2_eq_[C-]#[O+]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_4
398
+ fe_3_eq_C=O_ax1_[OH2]_ax2_[PH3]_ahf_20_2
399
+ mn_2_eq_C=O_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_6
400
+ cr_2_eq_N#C[O-]_ax1_[OH2]_ax2_[OH2]_ahf_20_5
401
+ cr_3_eq_c1ccncc1_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_4
402
+ cr_3_eq_N#[C-]_ax1_[I-]_ax2_[I-]_ahf_20_4
403
+ co_3_eq_N#CC_ax1_N#CC_ax2_[F-]_ahf_20_5
404
+ fe_3_eq_[C-]#[O+]_ax1_[OH-]_ax2_c1ccncc1_ahf_20_2
405
+ co_2_eq_[C-]#[O+]_ax1_[S--]_ax2_[S--]_ahf_20_4
406
+ mn_3_eq_[S--]_ax1_[OH2]_ax2_[OH2]_ahf_20_5
407
+ cr_2_eq_N#[C-]_ax1_[OH2]_ax2_[OH2]_ahf_20_5
408
+ fe_3_eq_N#CC_ax1_[OH2]_ax2_[OH2]_ahf_20_2
409
+ cr_3_eq_[OH2]_ax1_[O-][O-]_ax2_N_ahf_20_2
410
+ mn_2_eq_[OH2]_ax1_C=O_ax2_C=O_ahf_20_6
411
+ co_2_eq_[SH2]_ax1_[SH2]_ax2_[SH2]_ahf_20_4
412
+ fe_3_eq_[PH3]_ax1_N_ax2_[C-]#[O+]_ahf_20_6
413
+ cr_3_eq_[PH3]_ax1_[SH2]_ax2_[SH2]_ahf_20_4
414
+ fe_2_eq_N#CC_ax1_c1ccncc1_ax2_N_ahf_20_5
415
+ cr_3_eq_[PH3]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_4
416
+ mn_2_eq_[OH-]_ax1_[PH3]_ax2_[SH2]_ahf_20_6
417
+ cr_3_eq_c1ccncc1_ax1_[SH2]_ax2_[SH2]_ahf_20_4
418
+ cr_2_eq_[S--]_ax1_C=O_ax2_[S--]_ahf_20_5
419
+ co_2_eq_N#CC_ax1_C=O_ax2_C=O_ahf_20_4
420
+ co_3_eq_N_ax1_N#CC_ax2_N#CC_ahf_20_5
421
+ cr_2_eq_[SH2]_ax1_[OH2]_ax2_[OH2]_ahf_20_5
422
+ cr_3_eq_[O-][O-]_ax1_N#CC_ax2_C=O_ahf_20_4
423
+ fe_2_eq_[OH2]_ax1_N_ax2_N_ahf_20_5
424
+ mn_3_eq_C=O_ax1_N#[C-]_ax2_N#[C-]_ahf_20_5
425
+ fe_3_eq_[SH2]_ax1_[OH-]_ax2_N_ahf_20_6
426
+ mn_2_eq_N#C[O-]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_2
427
+ cr_3_eq_[OH2]_ax1_[O-][O-]_ax2_[F-]_ahf_20_2
428
+ mn_2_eq_[O-][O-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_2
429
+ cr_3_eq_[SH2]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
430
+ co_3_eq_N#[C-]_ax1_[OH2]_ax2_[OH2]_ahf_20_5
431
+ co_3_eq_[C-]#[O+]_ax1_N_ax2_N_ahf_20_5
432
+ co_3_eq_[C-]#[O+]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_5
433
+ mn_3_eq_[SH2]_ax1_N#CC_ax2_N#CC_ahf_20_5
434
+ fe_3_eq_N#CC_ax1_[SH2]_ax2_[SH2]_ahf_20_6
435
+ fe_3_eq_c1ccncc1_ax1_[OH2]_ax2_[OH2]_ahf_20_2
436
+ cr_3_eq_N_ax1_[O-][O-]_ax2_N#C[O-]_ahf_20_4
437
+ fe_3_eq_c1ccncc1_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
438
+ fe_3_eq_[OH-]_ax1_c1ccncc1_ax2_[PH3]_ahf_20_6
439
+ mn_2_eq_[S--]_ax1_[OH2]_ax2_[OH2]_ahf_20_2
440
+ mn_3_eq_N#CC_ax1_[PH3]_ax2_[PH3]_ahf_20_5
441
+ co_2_eq_[PH3]_ax1_N#CC_ax2_N#CC_ahf_20_4
442
+ fe_3_eq_[PH3]_ax1_N_ax2_[F-]_ahf_20_2
443
+ mn_2_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_N#CC_ax2_N#CC_ahf_20_2
444
+ mn_2_eq_N#CC_ax1_N_ax2_N_ahf_20_2
445
+ mn_3_eq_[OH-]_ax1_[OH-]_ax2_[OH-]_ahf_20_5
446
+ cr_3_eq_[OH2]_ax1_N_ax2_[SH2]_ahf_20_4
447
+ co_3_eq_N_ax1_[I-]_ax2_N_ahf_20_5
448
+ fe_3_eq_[F-]_ax1_N#CC_ax2_N#CC_ahf_20_2
449
+ mn_2_eq_[SH2]_ax1_N#C[O-]_ax2_[C-]#[O+]_ahf_20_2
450
+ co_2_eq_[F-]_ax1_[PH3]_ax2_[PH3]_ahf_20_4
451
+ cr_2_eq_c1ccncc1_ax1_[S--]_ax2_[S--]_ahf_20_5
452
+ mn_2_eq_[PH3]_ax1_[S--]_ax2_[S--]_ahf_20_6
453
+ mn_2_eq_N#C[O-]_ax1_[SH2]_ax2_[SH2]_ahf_20_6
454
+ co_2_eq_N#C[O-]_ax1_[PH3]_ax2_[SH2]_ahf_20_4
455
+ co_2_eq_C=O_ax1_[F-]_ax2_[F-]_ahf_20_2
456
+ mn_2_eq_[C-]#[O+]_ax1_[OH-]_ax2_[OH-]_ahf_20_6
457
+ fe_3_eq_[I-]_ax1_[SH2]_ax2_[SH2]_ahf_20_2
458
+ mn_3_eq_[O-][O-]_ax1_N#CC_ax2_C=O_ahf_20_5
459
+ mn_3_eq_[SH2]_ax1_N#C[O-]_ax2_N#[C-]_ahf_20_5
460
+ co_3_eq_[F-]_ax1_[OH-]_ax2_[OH-]_ahf_20_5
461
+ co_3_eq_N#CC_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
462
+ cr_3_eq_[S--]_ax1_[I-]_ax2_[OH2]_ahf_20_2
463
+ co_2_eq_N#CC_ax1_C=O_ax2_C=O_ahf_20_2
464
+ mn_3_eq_C=O_ax1_N#C[O-]_ax2_[S--]_ahf_20_5
465
+ fe_3_eq_c1ccncc1_ax1_[OH-]_ax2_[OH-]_ahf_20_6
466
+ mn_3_eq_N#C[O-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_5
467
+ mn_2_eq_C=O_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_6
468
+ co_2_eq_C=O_ax1_[OH2]_ax2_[OH2]_ahf_20_2
469
+ mn_3_eq_[PH3]_ax1_N#CC_ax2_N#CC_ahf_20_5
470
+ cr_3_eq_[O-][O-]_ax1_[O-][O-]_ax2_c1ccncc1_ahf_20_2
471
+ cr_2_eq_N#CC_ax1_[OH2]_ax2_[OH2]_ahf_20_5
472
+ mn_2_eq_[PH3]_ax1_N#C[O-]_ax2_[OH2]_ahf_20_2
473
+ fe_3_eq_N_ax1_[OH-]_ax2_[OH-]_ahf_20_2
474
+ co_2_eq_[OH2]_ax1_N#C[O-]_ax2_[C-]#[O+]_ahf_20_2
475
+ fe_2_eq_N_ax1_[PH3]_ax2_[PH3]_ahf_20_5
476
+ cr_2_eq_N#C[O-]_ax1_[I-]_ax2_[I-]_ahf_20_5
477
+ mn_2_eq_[F-]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
478
+ cr_2_eq_[SH2]_ax1_c1ccncc1_ax2_C=O_ahf_20_5
479
+ mn_3_eq_[I-]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
480
+ co_3_eq_N#CC_ax1_[O-][O-]_ax2_[SH2]_ahf_20_5
481
+ co_2_eq_[S--]_ax1_[O-][O-]_ax2_N_ahf_20_2
482
+ fe_3_eq_[C-]#[O+]_ax1_N#CC_ax2_[S--]_ahf_20_6
483
+ co_2_eq_[C-]#[O+]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_2
484
+ co_3_eq_[O-][O-]_ax1_[I-]_ax2_N#C[O-]_ahf_20_5
485
+ cr_3_eq_C=O_ax1_[SH2]_ax2_[SH2]_ahf_20_4
486
+ cr_3_eq_[C-]#[O+]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_2
487
+ mn_2_eq_N#CC_ax1_[PH3]_ax2_[PH3]_ahf_20_6
488
+ fe_3_eq_N#CC_ax1_[OH-]_ax2_[OH-]_ahf_20_2
489
+ cr_3_eq_[SH2]_ax1_N#CC_ax2_N#CC_ahf_20_2
490
+ mn_3_eq_C=O_ax1_c1ccncc1_ax2_C=O_ahf_20_5
491
+ mn_3_eq_c1ccncc1_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
492
+ fe_2_eq_[PH3]_ax1_c1ccncc1_ax2_[PH3]_ahf_20_5
493
+ fe_3_eq_N_ax1_N_ax2_N_ahf_20_6
494
+ co_2_eq_[PH3]_ax1_C=O_ax2_C=O_ahf_20_4
495
+ cr_2_eq_N_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_5
496
+ fe_3_eq_[F-]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_2
497
+ fe_3_eq_C=O_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
498
+ mn_2_eq_[C-]#[O+]_ax1_N#CC_ax2_N#CC_ahf_20_6
499
+ cr_2_eq_[PH3]_ax1_[I-]_ax2_[I-]_ahf_20_5
500
+ fe_3_eq_[SH2]_ax1_N_ax2_N_ahf_20_6
501
+ co_2_eq_N_ax1_N_ax2_N_ahf_20_2
502
+ fe_2_eq_[O-][O-]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_5
503
+ co_2_eq_N#C[O-]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_2
504
+ co_3_eq_N#[C-]_ax1_N#[C-]_ax2_[PH3]_ahf_20_5
505
+ cr_2_eq_[F-]_ax1_[O-][O-]_ax2_[SH2]_ahf_20_5
506
+ fe_2_eq_[SH2]_ax1_c1ccncc1_ax2_N_ahf_20_5
507
+ co_3_eq_N#[C-]_ax1_C=O_ax2_[PH3]_ahf_20_5
508
+ fe_3_eq_N#[C-]_ax1_N_ax2_N_ahf_20_2
509
+ cr_2_eq_[OH2]_ax1_C=O_ax2_C=O_ahf_20_5
510
+ mn_2_eq_N#C[O-]_ax1_[C-]#[O+]_ax2_[F-]_ahf_20_2
511
+ fe_2_eq_[O-][O-]_ax1_[OH2]_ax2_N#CC_ahf_20_5
512
+ co_3_eq_N#[C-]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_5
513
+ co_2_eq_c1ccncc1_ax1_[PH3]_ax2_[PH3]_ahf_20_4
514
+ mn_2_eq_[PH3]_ax1_[OH-]_ax2_[OH-]_ahf_20_6
515
+ fe_3_eq_c1ccncc1_ax1_[OH-]_ax2_[OH-]_ahf_20_2
516
+ cr_3_eq_[O-][O-]_ax1_[I-]_ax2_[I-]_ahf_20_2
517
+ co_3_eq_[F-]_ax1_[O-][O-]_ax2_[C-]#[O+]_ahf_20_5
518
+ cr_2_eq_[S--]_ax1_N#C[O-]_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_5
519
+ cr_3_eq_[F-]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
520
+ fe_2_eq_[SH2]_ax1_[PH3]_ax2_[SH2]_ahf_20_5
521
+ mn_3_eq_N#CC_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
522
+ co_2_eq_[S--]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_C=O_ahf_20_4
523
+ co_2_eq_[F-]_ax1_[SH2]_ax2_[SH2]_ahf_20_4
524
+ cr_3_eq_N_ax1_[SH2]_ax2_[SH2]_ahf_20_4
525
+ mn_2_eq_N_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
526
+ fe_3_eq_[SH2]_ax1_[OH-]_ax2_[OH-]_ahf_20_6
527
+ fe_3_eq_[OH-]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_6
528
+ cr_3_eq_[OH2]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_4
529
+ cr_3_eq_N#CC_ax1_[SH2]_ax2_[SH2]_ahf_20_2
530
+ cr_2_eq_[O-][O-]_ax1_[O-][O-]_ax2_c1ccncc1_ahf_20_5
531
+ mn_3_eq_[I-]_ax1_C=O_ax2_C=O_ahf_20_5
532
+ co_2_eq_N#C[O-]_ax1_N_ax2_N_ahf_20_2
533
+ cr_3_eq_[SH2]_ax1_c1ccncc1_ax2_C=O_ahf_20_4
534
+ co_3_eq_[C-]#[O+]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_5
535
+ co_2_eq_[SH2]_ax1_C=O_ax2_C=O_ahf_20_4
536
+ mn_3_eq_[OH-]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_5
537
+ cr_3_eq_C=O_ax1_N#[C-]_ax2_N#[C-]_ahf_20_2
538
+ co_2_eq_[PH3]_ax1_[OH2]_ax2_[OH2]_ahf_20_2
539
+ mn_2_eq_[SH2]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_[PH3]_ahf_20_6
540
+ cr_3_eq_[S--]_ax1_C=O_ax2_[S--]_ahf_20_4
541
+ fe_2_eq_[I-]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
542
+ co_2_eq_N#[C-]_ax1_C=O_ax2_[PH3]_ahf_20_4
543
+ mn_2_eq_N#C[O-]_ax1_N#[C-]_ax2_c1ccncc1_ahf_20_2
544
+ fe_3_eq_N_ax1_c1ccncc1_ax2_C=O_ahf_20_2
545
+ mn_3_eq_[OH2]_ax1_[I-]_ax2_[I-]_ahf_20_5
546
+ mn_2_eq_C=O_ax1_N_ax2_N_ahf_20_2
547
+ co_2_eq_C=O_ax1_[PH3]_ax2_[PH3]_ahf_20_2
548
+ cr_2_eq_N#[C-]_ax1_[C-]#[O+]_ax2_[PH3]_ahf_20_5
549
+ mn_2_eq_C=O_ax1_[SH2]_ax2_[SH2]_ahf_20_2
550
+ co_2_eq_N#CC_ax1_[OH-]_ax2_[C-]#[O+]_ahf_20_2
551
+ cr_3_eq_[I-]_ax1_[OH-]_ax2_[SH2]_ahf_20_2
552
+ mn_3_eq_[OH-]_ax1_c1ccncc1_ax2_[PH3]_ahf_20_5
553
+ mn_3_eq_[SH2]_ax1_[OH2]_ax2_[S--]_ahf_20_5
554
+ cr_3_eq_[O-][O-]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_2
555
+ co_3_eq_[OH-]_ax1_[PH3]_ax2_[PH3]_ahf_20_5
556
+ fe_3_eq_[SH2]_ax1_[I-]_ax2_[PH3]_ahf_20_2
557
+ cr_3_eq_c1ccncc1_ax1_C=O_ax2_C=O_ahf_20_4
558
+ co_2_eq_[I-]_ax1_[OH2]_ax2_[OH2]_ahf_20_4
559
+ cr_3_eq_N#C[O-]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_2
560
+ co_2_eq_[F-]_ax1_[OH-]_ax2_N_ahf_20_2
561
+ co_3_eq_c1ccncc1_ax1_N_ax2_C=O_ahf_20_5
562
+ mn_2_eq_C=O_ax1_[I-]_ax2_N#C[O-]_ahf_20_6
563
+ co_2_eq_[OH-]_ax1_[OH-]_ax2_[PH3]_ahf_20_2
564
+ co_2_eq_[S--]_ax1_N#C[O-]_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_2
565
+ cr_3_eq_C=O_ax1_N#C[O-]_ax2_[PH3]_ahf_20_2
566
+ cr_3_eq_N#[C-]_ax1_C=O_ax2_C=O_ahf_20_4
567
+ mn_2_eq_[OH2]_ax1_N_ax2_N_ahf_20_6
568
+ cr_3_eq_[OH2]_ax1_N#CC_ax2_c1ccncc1_ahf_20_2
569
+ fe_3_eq_[O-][O-]_ax1_N#C[O-]_ax2_[C-]#[O+]_ahf_20_2
570
+ mn_2_eq_[PH3]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
571
+ fe_3_eq_N#[C-]_ax1_[OH2]_ax2_[OH2]_ahf_20_2
572
+ co_3_eq_c1ccncc1_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
573
+ mn_3_eq_C=O_ax1_[I-]_ax2_N#C[O-]_ahf_20_5
574
+ co_3_eq_c1ccncc1_ax1_N#CC_ax2_N#CC_ahf_20_5
575
+ mn_2_eq_[I-]_ax1_N_ax2_N_ahf_20_6
576
+ cr_3_eq_N#CC_ax1_[OH2]_ax2_[OH2]_ahf_20_4
577
+ mn_2_eq_C=O_ax1_N#C[O-]_ax2_[S--]_ahf_20_2
578
+ cr_2_eq_C=O_ax1_N#C[O-]_ax2_[PH3]_ahf_20_5
579
+ cr_2_eq_[PH3]_ax1_[F-]_ax2_[PH3]_ahf_20_5
580
+ mn_3_eq_[SH2]_ax1_N#C[O-]_ax2_[C-]#[O+]_ahf_20_5
581
+ co_2_eq_N_ax1_[OH-]_ax2_[OH2]_ahf_20_4
582
+ cr_3_eq_[PH3]_ax1_[OH-]_ax2_[PH3]_ahf_20_4
583
+ fe_2_eq_c1ccncc1_ax1_[OH-]_ax2_[OH-]_ahf_20_5
584
+ fe_3_eq_[PH3]_ax1_[PH3]_ax2_[PH3]_ahf_20_6
585
+ fe_3_eq_[OH-]_ax1_N_ax2_N_ahf_20_2
586
+ cr_3_eq_[OH2]_ax1_[S--]_ax2_[F-]_ahf_20_4
587
+ co_2_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_2
588
+ cr_3_eq_[SH2]_ax1_C=O_ax2_C=O_ahf_20_4
589
+ mn_3_eq_N#CC_ax1_N#[C-]_ax2_N_ahf_20_5
590
+ cr_3_eq_[I-]_ax1_C=O_ax2_C=O_ahf_20_2
591
+ cr_3_eq_C=O_ax1_[OH-]_ax2_N_ahf_20_2
592
+ co_2_eq_[I-]_ax1_[OH2]_ax2_[OH2]_ahf_20_2
593
+ co_3_eq_N#[C-]_ax1_N#C[O-]_ax2_[OH-]_ahf_20_5
594
+ mn_2_eq_[OH2]_ax1_N#CC_ax2_N#CC_ahf_20_6
595
+ fe_3_eq_N#CC_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
596
+ mn_2_eq_[OH-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_6
597
+ cr_3_eq_[SH2]_ax1_[PH3]_ax2_[PH3]_ahf_20_4
598
+ mn_3_eq_[OH2]_ax1_N#[C-]_ax2_[PH3]_ahf_20_5
599
+ fe_2_eq_N_ax1_[OH2]_ax2_[OH2]_ahf_20_5
600
+ fe_3_eq_[O-][O-]_ax1_[OH2]_ax2_N#CC_ahf_20_2
601
+ cr_2_eq_N#[C-]_ax1_[O-][O-]_ax2_N_ahf_20_5
602
+ cr_3_eq_[O-][O-]_ax1_[S--]_ax2_[F-]_ahf_20_4
603
+ fe_3_eq_c1ccncc1_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_6
604
+ cr_2_eq_[C-]#[O+]_ax1_[C-]#[O+]_ax2_[S--]_ahf_20_5
605
+ co_2_eq_N_ax1_[SH2]_ax2_[SH2]_ahf_20_2
606
+ cr_3_eq_C=O_ax1_N_ax2_N_ahf_20_2
607
+ cr_2_eq_N#[C-]_ax1_[PH3]_ax2_[PH3]_ahf_20_5
608
+ cr_2_eq_[F-]_ax1_[OH2]_ax2_[PH3]_ahf_20_5
609
+ fe_3_eq_C=O_ax1_c1ccncc1_ax2_[F-]_ahf_20_6
610
+ cr_3_eq_N_ax1_[PH3]_ax2_[SH2]_ahf_20_2
611
+ co_2_eq_N#[C-]_ax1_[OH2]_ax2_[OH2]_ahf_20_4
612
+ fe_3_eq_[OH-]_ax1_N_ax2_[S--]_ahf_20_6
613
+ co_2_eq_C=O_ax1_N#[C-]_ax2_N#CC_ahf_20_4
614
+ co_2_eq_[SH2]_ax1_[PH3]_ax2_[PH3]_ahf_20_2
615
+ fe_2_eq_N_ax1_[OH-]_ax2_[OH-]_ahf_20_5
616
+ fe_3_eq_[PH3]_ax1_N#CC_ax2_N#CC_ahf_20_2
617
+ cr_3_eq_C=O_ax1_[S--]_ax2_[S--]_ahf_20_4
618
+ cr_3_eq_[OH2]_ax1_[O-][O-]_ax2_C=O_ahf_20_2
619
+ co_3_eq_[SH2]_ax1_[I-]_ax2_[I-]_ahf_20_5
620
+ mn_2_eq_N#CC_ax1_[I-]_ax2_[I-]_ahf_20_2
621
+ co_3_eq_[OH2]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_5
622
+ co_3_eq_[OH-]_ax1_[OH-]_ax2_[PH3]_ahf_20_5
623
+ mn_2_eq_c1ccncc1_ax1_N#CC_ax2_[F-]_ahf_20_6
624
+ mn_2_eq_[SH2]_ax1_N#[C-]_ax2_C=O_ahf_20_6
625
+ co_3_eq_c1ccncc1_ax1_[I-]_ax2_N_ahf_20_5
626
+ mn_2_eq_C=O_ax1_[OH2]_ax2_[OH2]_ahf_20_6
627
+ fe_3_eq_N_ax1_N#[C-]_ax2_[C-]#[O+]_ahf_20_6
628
+ fe_3_eq_[SH2]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_6
629
+ fe_3_eq_C=O_ax1_N_ax2_N_ahf_20_2
630
+ co_2_eq_c1ccncc1_ax1_N_ax2_N_ahf_20_4
631
+ mn_3_eq_c1ccncc1_ax1_C=O_ax2_C=O_ahf_20_5
632
+ mn_2_eq_[C-]#[O+]_ax1_[PH3]_ax2_[PH3]_ahf_20_6
633
+ fe_3_eq_[OH-]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_2
634
+ mn_2_eq_[O-][O-]_ax1_N#CC_ax2_C=O_ahf_20_2
635
+ cr_3_eq_C=O_ax1_N#C[O-]_ax2_[F-]_ahf_20_4
636
+ fe_3_eq_C=O_ax1_C=O_ax2_C=O_ahf_20_6
637
+ co_3_eq_C=O_ax1_[C-]#[O+]_ax2_[F-]_ahf_20_5
638
+ mn_3_eq_[C-]#[O+]_ax1_[I-]_ax2_[OH-]_ahf_20_5
639
+ fe_3_eq_N#CC_ax1_C=O_ax2_C=O_ahf_20_2
640
+ cr_3_eq_[F-]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_2
641
+ fe_3_eq_[F-]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
642
+ cr_2_eq_C=O_ax1_c1ccncc1_ax2_[F-]_ahf_20_5
643
+ cr_3_eq_N#CC_ax1_[OH2]_ax2_[OH2]_ahf_20_2
644
+ cr_2_eq_N#[C-]_ax1_[OH-]_ax2_[OH-]_ahf_20_5
645
+ mn_2_eq_[PH3]_ax1_[I-]_ax2_[S--]_ahf_20_2
646
+ co_3_eq_[OH-]_ax1_[F-]_ax2_[F-]_ahf_20_5
647
+ co_2_eq_N_ax1_N#C[O-]_ax2_N#CC_ahf_20_4
648
+ cr_2_eq_[O-][O-]_ax1_[OH2]_ax2_[F-]_ahf_20_5
649
+ cr_2_eq_[OH2]_ax1_[PH3]_ax2_[PH3]_ahf_20_5
650
+ mn_2_eq_[OH-]_ax1_[S--]_ax2_[S--]_ahf_20_2
651
+ cr_3_eq_[S--]_ax1_[PH3]_ax2_[PH3]_ahf_20_4
652
+ mn_2_eq_[OH2]_ax1_N_ax2_[SH2]_ahf_20_2
653
+ cr_2_eq_[F-]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_5
654
+ co_2_eq_N#C[O-]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_4
655
+ fe_3_eq_[SH2]_ax1_[I-]_ax2_[PH3]_ahf_20_6
656
+ co_2_eq_[C-]#[O+]_ax1_[O-][O-]_ax2_[F-]_ahf_20_4
657
+ co_2_eq_[O-][O-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_2
658
+ co_2_eq_[OH2]_ax1_C=O_ax2_C=O_ahf_20_2
659
+ fe_2_eq_C=O_ax1_[OH2]_ax2_[OH2]_ahf_20_5
660
+ fe_2_eq_N#CC_ax1_N#CC_ax2_N_ahf_20_5
661
+ fe_3_eq_[S--]_ax1_[I-]_ax2_N#CC_ahf_20_2
662
+ mn_2_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_[OH2]_ax2_[OH2]_ahf_20_2
663
+ fe_3_eq_[O-][O-]_ax1_[O-][O-]_ax2_[PH3]_ahf_20_2
664
+ fe_3_eq_N_ax1_[S--]_ax2_[S--]_ahf_20_6
665
+ fe_2_eq_[OH2]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_5
666
+ co_3_eq_N#C[O-]_ax1_c1ccncc1_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_5
667
+ cr_3_eq_[O-][O-]_ax1_[O-][O-]_ax2_c1ccncc1_ahf_20_4
668
+ co_2_eq_N_ax1_[OH2]_ax2_[OH2]_ahf_20_4
669
+ co_3_eq_N_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_5
670
+ co_2_eq_[S--]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_C=O_ahf_20_2
671
+ fe_3_eq_N#[C-]_ax1_[I-]_ax2_[I-]_ahf_20_2
672
+ fe_3_eq_C=O_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_2
673
+ fe_3_eq_N_ax1_[S--]_ax2_[S--]_ahf_20_2
674
+ mn_3_eq_N_ax1_[OH-]_ax2_[SH2]_ahf_20_5
675
+ mn_2_eq_[OH-]_ax1_[OH-]_ax2_[OH-]_ahf_20_2
676
+ mn_3_eq_N#[C-]_ax1_N_ax2_[F-]_ahf_20_5
677
+ mn_2_eq_[SH2]_ax1_[C-]#[O+]_ax2_[F-]_ahf_20_6
678
+ cr_2_eq_[O-][O-]_ax1_N#CC_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_5
679
+ co_2_eq_[F-]_ax1_[OH-]_ax2_N_ahf_20_4
680
+ mn_3_eq_c1ccncc1_ax1_[O-][O-]_ax2_N_ahf_20_5
681
+ fe_3_eq_[I-]_ax1_N#C[O-]_ax2_[PH3]_ahf_20_6
682
+ co_2_eq_[O-][O-]_ax1_[OH2]_ax2_[OH2]_ahf_20_2
683
+ co_2_eq_[PH3]_ax1_[F-]_ax2_[F-]_ahf_20_4
684
+ cr_3_eq_N_ax1_[OH2]_ax2_[OH2]_ahf_20_2
685
+ fe_3_eq_[S--]_ax1_[O-][O-]_ax2_C=O_ahf_20_6
686
+ co_2_eq_[O-][O-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_4
687
+ fe_2_eq_[C-]#[O+]_ax1_N_ax2_C=O_ahf_20_5
688
+ fe_3_eq_C=O_ax1_[O-][O-]_ax2_[F-]_ahf_20_6
689
+ mn_2_eq_[C-]#[O+]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_2
690
+ fe_3_eq_[PH3]_ax1_[S--]_ax2_[S--]_ahf_20_6
691
+ fe_3_eq_N#[C-]_ax1_N_ax2_N_ahf_20_6
692
+ cr_2_eq_[I-]_ax1_N#CC_ax2_N#CC_ahf_20_5
693
+ mn_2_eq_[O-][O-]_ax1_N#C[O-]_ax2_[OH2]_ahf_20_2
694
+ fe_2_eq_C=O_ax1_N#CC_ax2_N#CC_ahf_20_5
695
+ fe_3_eq_[I-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_6
696
+ cr_2_eq_[OH2]_ax1_[O-][O-]_ax2_N_ahf_20_5
697
+ mn_3_eq_[OH-]_ax1_N_ax2_C=O_ahf_20_5
698
+ co_2_eq_c1ccncc1_ax1_N#[C-]_ax2_N#[C-]_ahf_20_2
699
+ co_2_eq_C=O_ax1_N#[C-]_ax2_N#[C-]_ahf_20_4
700
+ cr_3_eq_N#[C-]_ax1_[OH-]_ax2_[SH2]_ahf_20_2
701
+ co_2_eq_c1ccncc1_ax1_N_ax2_C=O_ahf_20_4
702
+ fe_3_eq_N#CC_ax1_[OH-]_ax2_[OH-]_ahf_20_6
703
+ fe_3_eq_[F-]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_[SH2]_ahf_20_6
704
+ fe_3_eq_c1ccncc1_ax1_N#CC_ax2_N_ahf_20_6
705
+ fe_3_eq_[PH3]_ax1_[I-]_ax2_N_ahf_20_6
706
+ fe_2_eq_c1ccncc1_ax1_N#CC_ax2_N#CC_ahf_20_5
707
+ fe_2_eq_[F-]_ax1_[OH2]_ax2_[OH2]_ahf_20_5
708
+ co_2_eq_[F-]_ax1_[OH-]_ax2_[OH-]_ahf_20_2
709
+ mn_2_eq_C=O_ax1_c1ccncc1_ax2_C=O_ahf_20_6
710
+ cr_3_eq_N_ax1_c1ccncc1_ax2_[PH3]_ahf_20_2
711
+ fe_3_eq_[C-]#[O+]_ax1_N_ax2_[PH3]_ahf_20_2
712
+ fe_3_eq_C=O_ax1_[OH2]_ax2_[OH2]_ahf_20_6
713
+ cr_3_eq_[O-][O-]_ax1_[PH3]_ax2_[PH3]_ahf_20_4
714
+ cr_3_eq_[OH-]_ax1_[PH3]_ax2_[PH3]_ahf_20_4
715
+ mn_2_eq_[SH2]_ax1_N#C[O-]_ax2_[C-]#[O+]_ahf_20_6
716
+ mn_3_eq_N#CC_ax1_[SH2]_ax2_[SH2]_ahf_20_5
717
+ fe_2_eq_[OH2]_ax1_C=O_ax2_C=O_ahf_20_5
718
+ co_2_eq_N#[C-]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_[PH3]_ahf_20_2
719
+ co_2_eq_[SH2]_ax1_N#CC_ax2_[PH3]_ahf_20_4
720
+ co_2_eq_[OH-]_ax1_N_ax2_N_ahf_20_2
721
+ cr_2_eq_N_ax1_c1ccncc1_ax2_[PH3]_ahf_20_5
722
+ co_2_eq_N_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_4
723
+ fe_2_eq_N#CC_ax1_C=O_ax2_C=O_ahf_20_5
724
+ co_3_eq_[I-]_ax1_[OH2]_ax2_[OH2]_ahf_20_5
725
+ fe_2_eq_N_ax1_[C-]#[O+]_ax2_[F-]_ahf_20_5
726
+ fe_2_eq_[O-][O-]_ax1_[OH-]_ax2_[F-]_ahf_20_5
727
+ fe_2_eq_[C-]#[O+]_ax1_[OH-]_ax2_C=O_ahf_20_5
728
+ fe_2_eq_[SH2]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
729
+ co_3_eq_N#CC_ax1_[OH2]_ax2_[OH2]_ahf_20_5
730
+ mn_3_eq_[OH2]_ax1_[SH2]_ax2_[SH2]_ahf_20_5
731
+ cr_2_eq_N#[C-]_ax1_C=O_ax2_[PH3]_ahf_20_5
732
+ co_3_eq_N#C[O-]_ax1_N_ax2_N_ahf_20_5
733
+ co_2_eq_[PH3]_ax1_N_ax2_N_ahf_20_4
734
+ co_3_eq_N#CC_ax1_C=O_ax2_C=O_ahf_20_5
735
+ cr_3_eq_N_ax1_C=O_ax2_C=O_ahf_20_4
736
+ cr_3_eq_c1ccncc1_ax1_N#C[O-]_ax2_[OH2]_ahf_20_4
737
+ mn_2_eq_C=O_ax1_[OH2]_ax2_N_ahf_20_2
738
+ mn_2_eq_[C-]#[O+]_ax1_[OH-]_ax2_[OH-]_ahf_20_2
739
+ cr_2_eq_N#[C-]_ax1_[C-]#[O+]_ax2_[SH2]_ahf_20_5
740
+ fe_2_eq_[OH2]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_5
741
+ mn_3_eq_C=O_ax1_N_ax2_N_ahf_20_5
742
+ mn_2_eq_N#[C-]_ax1_N#[C-]_ax2_[F-]_ahf_20_2
743
+ cr_3_eq_N_ax1_N#CC_ax2_N#CC_ahf_20_2
744
+ co_3_eq_[SH2]_ax1_[I-]_ax2_N_ahf_20_5
745
+ fe_3_eq_N#C[O-]_ax1_[S--]_ax2_[F-]_ahf_20_2
746
+ fe_3_eq_N#CC_ax1_N#[C-]_ax2_[C-]#[O+]_ahf_20_2
747
+ cr_3_eq_N#C[O-]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_4
748
+ co_2_eq_[C-]#[O+]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_4
749
+ fe_2_eq_N_ax1_[S--]_ax2_[S--]_ahf_20_5
750
+ mn_2_eq_C=O_ax1_N#C[O-]_ax2_[PH3]_ahf_20_2
751
+ co_3_eq_N#C[O-]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_5
752
+ co_2_eq_[OH-]_ax1_[PH3]_ax2_[PH3]_ahf_20_2
753
+ fe_2_eq_[PH3]_ax1_[OH-]_ax2_[OH-]_ahf_20_5
754
+ mn_3_eq_[PH3]_ax1_[PH3]_ax2_[PH3]_ahf_20_5
755
+ mn_3_eq_[PH3]_ax1_[I-]_ax2_[S--]_ahf_20_5
756
+ mn_2_eq_N#CC_ax1_[S--]_ax2_[S--]_ahf_20_2
757
+ co_2_eq_[PH3]_ax1_[OH-]_ax2_c1ccncc1_ahf_20_2
758
+ fe_2_eq_N#CC_ax1_N#CC_ax2_c1ccncc1_ahf_20_5
759
+ co_3_eq_[I-]_ax1_N_ax2_N_ahf_20_5
760
+ co_2_eq_[C-]#[O+]_ax1_c1ccncc1_ax2_C=O_ahf_20_4
761
+ fe_3_eq_c1ccncc1_ax1_[PH3]_ax2_[PH3]_ahf_20_6
762
+ cr_2_eq_N_ax1_[SH2]_ax2_[SH2]_ahf_20_5
763
+ co_2_eq_C=O_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_2
764
+ cr_3_eq_N#CC_ax1_N#CC_ax2_[SH2]_ahf_20_4
765
+ fe_3_eq_c1ccncc1_ax1_[SH2]_ax2_[SH2]_ahf_20_2
766
+ cr_3_eq_[OH-]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
767
+ cr_2_eq_N_ax1_[PH3]_ax2_[SH2]_ahf_20_5
768
+ mn_2_eq_[OH2]_ax1_N#[C-]_ax2_[PH3]_ahf_20_2
769
+ fe_2_eq_C=O_ax1_N_ax2_N_ahf_20_5
770
+ mn_2_eq_C=O_ax1_c1ccncc1_ax2_[F-]_ahf_20_6
771
+ cr_2_eq_N#C[O-]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_5
772
+ fe_2_eq_C=O_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_5
773
+ fe_3_eq_[OH2]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_6
774
+ co_2_eq_N#CC_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_[F-]_ahf_20_4
775
+ fe_3_eq_[F-]_ax1_N_ax2_N_ahf_20_6
776
+ co_2_eq_[C-]#[O+]_ax1_[OH2]_ax2_C=O_ahf_20_2
777
+ co_2_eq_[SH2]_ax1_N#CC_ax2_[PH3]_ahf_20_2
778
+ cr_3_eq_N#C[O-]_ax1_[OH2]_ax2_[OH2]_ahf_20_4
779
+ mn_2_eq_N#CC_ax1_[I-]_ax2_[PH3]_ahf_20_2
780
+ cr_3_eq_[OH-]_ax1_C=O_ax2_C=O_ahf_20_4
781
+ mn_3_eq_[OH2]_ax1_C=O_ax2_C=O_ahf_20_5
782
+ fe_3_eq_[I-]_ax1_N#C[O-]_ax2_[PH3]_ahf_20_2
783
+ mn_3_eq_[SH2]_ax1_C=O_ax2_C=O_ahf_20_5
784
+ cr_3_eq_[OH2]_ax1_N#CC_ax2_N#CC_ahf_20_4
785
+ cr_3_eq_C=O_ax1_[I-]_ax2_N_ahf_20_4
786
+ mn_2_eq_N#C[O-]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_6
787
+ fe_2_eq_[F-]_ax1_[F-]_ax2_[F-]_ahf_20_5
788
+ mn_3_eq_[OH2]_ax1_N_ax2_[SH2]_ahf_20_5
789
+ co_3_eq_[C-]#[O+]_ax1_[S--]_ax2_[S--]_ahf_20_5
790
+ co_2_eq_[OH2]_ax1_[I-]_ax2_[I-]_ahf_20_4
791
+ mn_2_eq_c1ccncc1_ax1_C=O_ax2_C=O_ahf_20_2
792
+ cr_3_eq_[I-]_ax1_N#CC_ax2_N#CC_ahf_20_4
793
+ fe_2_eq_N#CC_ax1_N#C[O-]_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_5
794
+ mn_3_eq_N#CC_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_5
795
+ fe_2_eq_[PH3]_ax1_N#CC_ax2_[PH3]_ahf_20_5
796
+ cr_2_eq_N_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
797
+ cr_2_eq_N_ax1_N#CC_ax2_[F-]_ahf_20_5
798
+ fe_2_eq_[O-][O-]_ax1_[O-][O-]_ax2_[PH3]_ahf_20_5
799
+ mn_2_eq_[SH2]_ax1_N#C[O-]_ax2_N#[C-]_ahf_20_6
800
+ mn_3_eq_N#C[O-]_ax1_[OH2]_ax2_[OH2]_ahf_20_5
801
+ co_3_eq_[OH-]_ax1_[OH-]_ax2_[OH-]_ahf_20_5
802
+ cr_3_eq_N#CC_ax1_[OH-]_ax2_[OH-]_ahf_20_2
803
+ mn_3_eq_[OH-]_ax1_N#C[O-]_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_5
804
+ mn_3_eq_[S--]_ax1_[OH-]_ax2_[OH-]_ahf_20_5
805
+ co_2_eq_C=O_ax1_N#[C-]_ax2_N#[C-]_ahf_20_2
806
+ mn_3_eq_C=O_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_5
807
+ mn_2_eq_N_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_6
808
+ cr_3_eq_[I-]_ax1_N_ax2_N_ahf_20_4
809
+ mn_2_eq_C=O_ax1_C=O_ax2_C=O_ahf_20_2
810
+ cr_3_eq_[OH2]_ax1_N_ax2_[SH2]_ahf_20_2
811
+ mn_2_eq_N#CC_ax1_[OH-]_ax2_[OH-]_ahf_20_2
812
+ cr_3_eq_[C-]#[O+]_ax1_[OH2]_ax2_[S--]_ahf_20_2
813
+ fe_3_eq_N_ax1_[I-]_ax2_[I-]_ahf_20_6
814
+ fe_2_eq_[PH3]_ax1_[PH3]_ax2_[PH3]_ahf_20_5
815
+ fe_2_eq_[SH2]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_5
816
+ fe_3_eq_[PH3]_ax1_C=O_ax2_[PH3]_ahf_20_2
817
+ fe_2_eq_N#[C-]_ax1_[F-]_ax2_[F-]_ahf_20_5
818
+ co_3_eq_N#CC_ax1_[OH2]_ax2_[C-]#[O+]_ahf_20_5
819
+ mn_2_eq_[PH3]_ax1_[I-]_ax2_[S--]_ahf_20_6
820
+ cr_2_eq_[I-]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
821
+ mn_2_eq_[C-]#[O+]_ax1_[I-]_ax2_[I-]_ahf_20_6
822
+ cr_3_eq_[OH-]_ax1_N#C[O-]_ax2_N#CC_ahf_20_4
823
+ co_2_eq_N#CC_ax1_N#CC_ax2_N#CC_ahf_20_2
824
+ mn_2_eq_[SH2]_ax1_N_ax2_N_ahf_20_2
825
+ co_3_eq_[OH-]_ax1_N_ax2_N_ahf_20_5
826
+ mn_2_eq_[PH3]_ax1_[OH-]_ax2_C=O_ahf_20_6
827
+ mn_3_eq_c1ccncc1_ax1_N#[C-]_ax2_[F-]_ahf_20_5
828
+ fe_2_eq_[C-]#[O+]_ax1_[I-]_ax2_N#[C-]_ahf_20_5
829
+ fe_3_eq_[OH2]_ax1_[O-][O-]_ax2_C=O_ahf_20_6
830
+ mn_2_eq_C=O_ax1_[OH-]_ax2_N_ahf_20_6
831
+ fe_3_eq_C=O_ax1_N#C[O-]_ax2_[PH3]_ahf_20_6
832
+ co_2_eq_N#C[O-]_ax1_[PH3]_ax2_[SH2]_ahf_20_2
833
+ cr_3_eq_[O-][O-]_ax1_[PH3]_ax2_[PH3]_ahf_20_2
834
+ cr_3_eq_[PH3]_ax1_N_ax2_N_ahf_20_4
835
+ cr_3_eq_N#C[O-]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_2
836
+ co_2_eq_C=O_ax1_N#CC_ax2_N#CC_ahf_20_4
837
+ mn_3_eq_N_ax1_[I-]_ax2_[I-]_ahf_20_5
838
+ co_3_eq_[PH3]_ax1_c1ccncc1_ax2_[S--]_ahf_20_5
839
+ fe_3_eq_[OH2]_ax1_N_ax2_N_ahf_20_6
840
+ mn_3_eq_[C-]#[O+]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_5
841
+ fe_2_eq_[F-]_ax1_[OH-]_ax2_[OH-]_ahf_20_5
842
+ cr_3_eq_[S--]_ax1_[OH-]_ax2_N#CC_ahf_20_4
843
+ fe_2_eq_c1ccncc1_ax1_C=O_ax2_[F-]_ahf_20_5
844
+ fe_3_eq_[F-]_ax1_[OH2]_ax2_[OH2]_ahf_20_6
845
+ fe_2_eq_[OH-]_ax1_[F-]_ax2_[F-]_ahf_20_5
846
+ cr_2_eq_N#CC_ax1_N_ax2_N_ahf_20_5
847
+ cr_3_eq_[I-]_ax1_[OH-]_ax2_[C-]#[O+]_ahf_20_2
848
+ fe_3_eq_C=O_ax1_[SH2]_ax2_[SH2]_ahf_20_6
849
+ co_3_eq_[OH2]_ax1_[OH-]_ax2_[OH-]_ahf_20_5
850
+ co_2_eq_c1ccncc1_ax1_C=O_ax2_C=O_ahf_20_2
851
+ cr_2_eq_C=O_ax1_C=O_ax2_C=O_ahf_20_5
852
+ cr_3_eq_[S--]_ax1_N_ax2_N_ahf_20_4
853
+ co_2_eq_[S--]_ax1_c1ccncc1_ax2_N_ahf_20_2
854
+ co_3_eq_c1ccncc1_ax1_[O-][O-]_ax2_N_ahf_20_5
855
+ co_2_eq_c1ccncc1_ax1_[OH2]_ax2_[OH2]_ahf_20_2
856
+ mn_2_eq_N_ax1_[OH2]_ax2_[OH2]_ahf_20_6
857
+ cr_3_eq_N#CC_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_2
858
+ cr_3_eq_[S--]_ax1_N_ax2_N_ahf_20_4
859
+ mn_2_eq_[SH2]_ax1_C=O_ax2_C=O_ahf_20_6
860
+ mn_2_eq_N#CC_ax1_C=O_ax2_C=O_ahf_20_2
861
+ mn_2_eq_C=O_ax1_N#CC_ax2_N#CC_ahf_20_2
862
+ co_2_eq_N#[C-]_ax1_N_ax2_[F-]_ahf_20_2
863
+ co_3_eq_N_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
864
+ cr_3_eq_[O-][O-]_ax1_N#CC_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_2
865
+ mn_2_eq_[S--]_ax1_c1ccncc1_ax2_N_ahf_20_2
866
+ co_2_eq_C=O_ax1_[OH2]_ax2_[S--]_ahf_20_4
867
+ mn_2_eq_c1ccncc1_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_6
868
+ mn_2_eq_[C-]#[O+]_ax1_N#CC_ax2_[PH3]_ahf_20_2
869
+ cr_3_eq_[O-][O-]_ax1_C=O_ax2_C=O_ahf_20_2
870
+ fe_2_eq_[PH3]_ax1_[I-]_ax2_N_ahf_20_5
871
+ mn_3_eq_N_ax1_C=O_ax2_C=O_ahf_20_5
872
+ cr_3_eq_N#[C-]_ax1_[C-]#[O+]_ax2_[PH3]_ahf_20_4
873
+ mn_2_eq_[PH3]_ax1_[O-][O-]_ax2_[I-]_ahf_20_2
874
+ fe_3_eq_[S--]_ax1_N_ax2_[F-]_ahf_20_2
875
+ cr_3_eq_N#C[O-]_ax1_N#CC_ax2_N#CC_ahf_20_4
876
+ fe_3_eq_N_ax1_[OH2]_ax2_[OH2]_ahf_20_6
877
+ fe_3_eq_N#CC_ax1_[F-]_ax2_[F-]_ahf_20_2
878
+ cr_3_eq_[OH2]_ax1_[O-][O-]_ax2_[F-]_ahf_20_4
879
+ cr_3_eq_[SH2]_ax1_[I-]_ax2_[I-]_ahf_20_4
880
+ cr_3_eq_N#[C-]_ax1_N#CC_ax2_N_ahf_20_4
881
+ fe_3_eq_[I-]_ax1_[SH2]_ax2_[SH2]_ahf_20_6
882
+ mn_2_eq_[O-][O-]_ax1_[I-]_ax2_[SH2]_ahf_20_2
883
+ mn_3_eq_c1ccncc1_ax1_N#CC_ax2_[F-]_ahf_20_5
884
+ co_3_eq_[OH2]_ax1_N_ax2_N_ahf_20_5
885
+ cr_3_eq_c1ccncc1_ax1_N_ax2_N_ahf_20_2
886
+ mn_2_eq_c1ccncc1_ax1_[O-][O-]_ax2_N_ahf_20_6
887
+ fe_2_eq_[C-]#[O+]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_5
888
+ cr_3_eq_N#CC_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_4
889
+ cr_3_eq_[S--]_ax1_C=O_ax2_C=O_ahf_20_4
890
+ fe_3_eq_N#C[O-]_ax1_[S--]_ax2_[S--]_ahf_20_2
891
+ fe_3_eq_[C-]#[O+]_ax1_[I-]_ax2_N#C[O-]_ahf_20_2
892
+ fe_3_eq_[OH2]_ax1_[O-][O-]_ax2_N#CC_ahf_20_2
893
+ cr_3_eq_[S--]_ax1_[SH2]_ax2_[SH2]_ahf_20_4
894
+ fe_2_eq_N#C[O-]_ax1_[OH2]_ax2_[OH2]_ahf_20_5
895
+ mn_2_eq_[PH3]_ax1_[OH2]_ax2_[OH2]_ahf_20_6
896
+ cr_3_eq_N_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_4
897
+ fe_3_eq_N_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_2
898
+ cr_2_eq_[I-]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_5
899
+ cr_3_eq_[OH-]_ax1_[O-][O-]_ax2_[OH-]_ahf_20_2
900
+ co_2_eq_[S--]_ax1_N#[C-]_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_4
901
+ mn_2_eq_N#[C-]_ax1_[SH2]_ax2_[SH2]_ahf_20_6
902
+ fe_3_eq_[PH3]_ax1_c1ccncc1_ax2_[PH3]_ahf_20_2
903
+ cr_3_eq_[O-][O-]_ax1_[S--]_ax2_[F-]_ahf_20_2
904
+ fe_3_eq_N#[C-]_ax1_[F-]_ax2_[F-]_ahf_20_6
905
+ fe_3_eq_[O-][O-]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_6
906
+ cr_3_eq_[PH3]_ax1_N_ax2_N_ahf_20_2
907
+ mn_2_eq_[O-][O-]_ax1_[I-]_ax2_C=O_ahf_20_2
908
+ mn_2_eq_[OH-]_ax1_c1ccncc1_ax2_[PH3]_ahf_20_2
909
+ cr_3_eq_[O-][O-]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_2
910
+ cr_2_eq_[O-][O-]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_5
911
+ mn_3_eq_N_ax1_N#[C-]_ax2_N#[C-]_ahf_20_5
912
+ co_3_eq_[I-]_ax1_[PH3]_ax2_[PH3]_ahf_20_5
913
+ mn_2_eq_[F-]_ax1_[C-]#[O+]_ax2_[F-]_ahf_20_2
914
+ cr_2_eq_[C-]#[O+]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_5
915
+ cr_2_eq_c1ccncc1_ax1_N_ax2_N_ahf_20_5
916
+ cr_3_eq_[C-]#[O+]_ax1_[S--]_ax2_[S--]_ahf_20_4
917
+ mn_2_eq_N#CC_ax1_C=O_ax2_C=O_ahf_20_6
918
+ fe_2_eq_[C-]#[O+]_ax1_N#C[O-]_ax2_[OH2]_ahf_20_5
919
+ co_3_eq_[OH-]_ax1_N_ax2_[F-]_ahf_20_5
920
+ mn_2_eq_N#CC_ax1_[S--]_ax2_[S--]_ahf_20_6
921
+ co_3_eq_N#[C-]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_5
922
+ fe_2_eq_C=O_ax1_N#C[O-]_ax2_[PH3]_ahf_20_5
923
+ mn_2_eq_N_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_C=O_ahf_20_6
924
+ mn_3_eq_[PH3]_ax1_[O-][O-]_ax2_[OH2]_ahf_20_5
925
+ mn_2_eq_[OH2]_ax1_N#CC_ax2_N#CC_ahf_20_2
926
+ mn_2_eq_[OH2]_ax1_N#C[O-]_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_6
927
+ mn_2_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_N#C[O-]_ax2_[OH2]_ahf_20_2
928
+ fe_2_eq_N_ax1_c1ccncc1_ax2_N_ahf_20_5
929
+ mn_2_eq_N#[C-]_ax1_N#CC_ax2_N#CC_ahf_20_2
930
+ mn_2_eq_N#CC_ax1_[I-]_ax2_[PH3]_ahf_20_6
931
+ mn_3_eq_[PH3]_ax1_N#C[O-]_ax2_[SH2]_ahf_20_5
932
+ cr_3_eq_N#C[O-]_ax1_N#CC_ax2_N#CC_ahf_20_2
933
+ mn_3_eq_N#C[O-]_ax1_C=O_ax2_C=O_ahf_20_5
934
+ mn_3_eq_[C-]#[O+]_ax1_N#CC_ax2_N#CC_ahf_20_5
935
+ fe_3_eq_[F-]_ax1_C=O_ax2_[F-]_ahf_20_6
936
+ mn_2_eq_[O-][O-]_ax1_[O-][O-]_ax2_[I-]_ahf_20_2
937
+ cr_3_eq_[I-]_ax1_c1ccncc1_ax2_N_ahf_20_2
938
+ fe_3_eq_[I-]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_2
939
+ cr_3_eq_[S--]_ax1_N#CC_ax2_N#CC_ahf_20_4
940
+ fe_3_eq_c1ccncc1_ax1_C=O_ax2_C=O_ahf_20_6
941
+ co_2_eq_C=O_ax1_C=O_ax2_C=O_ahf_20_2
942
+ mn_2_eq_[PH3]_ax1_N#C[O-]_ax2_[OH2]_ahf_20_6
943
+ co_3_eq_N#CC_ax1_[OH-]_ax2_N#CC_ahf_20_5
944
+ co_2_eq_[OH2]_ax1_N#C[O-]_ax2_[C-]#[O+]_ahf_20_4
945
+ fe_3_eq_c1ccncc1_ax1_C=O_ax2_[F-]_ahf_20_2
946
+ mn_3_eq_[OH2]_ax1_N#CC_ax2_C=O_ahf_20_5
947
+ fe_3_eq_[PH3]_ax1_[OH-]_ax2_[OH-]_ahf_20_2
948
+ fe_3_eq_N_ax1_[OH2]_ax2_[SH2]_ahf_20_6
949
+ fe_3_eq_[SH2]_ax1_[I-]_ax2_[I-]_ahf_20_2
950
+ mn_2_eq_c1ccncc1_ax1_N#C[O-]_ax2_N_ahf_20_6
951
+ cr_3_eq_[F-]_ax1_[OH-]_ax2_[OH-]_ahf_20_4
952
+ fe_3_eq_N_ax1_[I-]_ax2_[I-]_ahf_20_2
953
+ co_3_eq_[OH2]_ax1_N#CC_ax2_N#CC_ahf_20_5
954
+ mn_2_eq_[PH3]_ax1_N_ax2_N_ahf_20_2
955
+ cr_2_eq_N#[C-]_ax1_[O-][O-]_ax2_N#[C-]_ahf_20_5
956
+ co_3_eq_N#C[O-]_ax1_[OH2]_ax2_[OH2]_ahf_20_5
957
+ co_2_eq_N#CC_ax1_[OH2]_ax2_[C-]#[O+]_ahf_20_4
958
+ cr_2_eq_C=O_ax1_N#CC_ax2_N#CC_ahf_20_5
959
+ mn_2_eq_N#CC_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
960
+ mn_2_eq_N_ax1_N_ax2_N_ahf_20_6
961
+ fe_3_eq_[F-]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_6
962
+ fe_2_eq_[PH3]_ax1_[OH2]_ax2_[OH2]_ahf_20_5
963
+ mn_2_eq_[OH2]_ax1_[I-]_ax2_[I-]_ahf_20_6
964
+ fe_3_eq_N#C[O-]_ax1_[OH2]_ax2_[PH3]_ahf_20_6
965
+ co_3_eq_N#[C-]_ax1_N_ax2_[F-]_ahf_20_5
966
+ fe_3_eq_[OH2]_ax1_N_ax2_N_ahf_20_2
967
+ mn_2_eq_N#[C-]_ax1_N#[C-]_ax2_[F-]_ahf_20_6
968
+ cr_2_eq_N#[C-]_ax1_[I-]_ax2_[S--]_ahf_20_5
969
+ mn_2_eq_c1ccncc1_ax1_N#C[O-]_ax2_N_ahf_20_2
970
+ co_3_eq_N#CC_ax1_[OH-]_ax2_[OH-]_ahf_20_5
971
+ co_3_eq_N_ax1_[I-]_ax2_N#C[O-]_ahf_20_5
972
+ mn_3_eq_[PH3]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
973
+ cr_3_eq_[PH3]_ax1_C=O_ax2_C=O_ahf_20_2
974
+ mn_3_eq_N#CC_ax1_N#CC_ax2_N#CC_ahf_20_5
975
+ co_2_eq_N#CC_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_4
976
+ fe_3_eq_[F-]_ax1_[OH-]_ax2_[OH-]_ahf_20_6
977
+ mn_2_eq_N_ax1_[I-]_ax2_[I-]_ahf_20_6
978
+ co_2_eq_[PH3]_ax1_[F-]_ax2_[F-]_ahf_20_2
979
+ fe_3_eq_c1ccncc1_ax1_C=O_ax2_C=O_ahf_20_2
980
+ mn_3_eq_[PH3]_ax1_[OH-]_ax2_C=O_ahf_20_5
981
+ fe_3_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_C=O_ax2_C=O_ahf_20_2
982
+ co_2_eq_C=O_ax1_[C-]#[O+]_ax2_[F-]_ahf_20_4
983
+ co_2_eq_C=O_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_2
984
+ cr_3_eq_N#[C-]_ax1_[PH3]_ax2_[PH3]_ahf_20_4
985
+ co_2_eq_[SH2]_ax1_[OH-]_ax2_[PH3]_ahf_20_2
986
+ co_2_eq_[OH2]_ax1_[OH2]_ax2_N#CC_ahf_20_4
987
+ fe_3_eq_[I-]_ax1_[PH3]_ax2_[PH3]_ahf_20_2
988
+ mn_3_eq_N#CC_ax1_C=O_ax2_C=O_ahf_20_5
989
+ fe_2_eq_C=O_ax1_[OH2]_ax2_[PH3]_ahf_20_5
990
+ fe_3_eq_[SH2]_ax1_[OH2]_ax2_[OH2]_ahf_20_6
991
+ mn_3_eq_[OH-]_ax1_[F-]_ax2_[F-]_ahf_20_5
992
+ co_2_eq_[SH2]_ax1_[I-]_ax2_[I-]_ahf_20_2
993
+ co_2_eq_[PH3]_ax1_c1ccncc1_ax2_N_ahf_20_2
994
+ cr_2_eq_N#[C-]_ax1_[I-]_ax2_[I-]_ahf_20_5
995
+ mn_2_eq_[OH2]_ax1_[SH2]_ax2_[SH2]_ahf_20_6
996
+ mn_2_eq_[S--]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_2
997
+ mn_2_eq_N_ax1_N#CC_ax2_[SH2]_ahf_20_6
998
+ fe_2_eq_[SH2]_ax1_C=O_ax2_C=O_ahf_20_5
999
+ co_3_eq_[OH2]_ax1_[I-]_ax2_[I-]_ahf_20_5
1000
+ cr_2_eq_[PH3]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_[C-]#[O+]_ahf_20_5
1001
+ fe_2_eq_[O-][O-]_ax1_N#C[O-]_ax2_[C-]#[O+]_ahf_20_5
1002
+ co_2_eq_[SH2]_ax1_[I-]_ax2_[PH3]_ahf_20_2
1003
+ cr_2_eq_[S--]_ax1_C=O_ax2_C=O_ahf_20_5
1004
+ mn_3_eq_[F-]_ax1_[C-]#[O+]_ax2_[F-]_ahf_20_5
1005
+ fe_3_eq_N#[C-]_ax1_[OH-]_ax2_[OH2]_ahf_20_2
1006
+ fe_3_eq_[SH2]_ax1_[SH2]_ax2_[SH2]_ahf_20_2
1007
+ fe_3_eq_[C-]#[O+]_ax1_[OH-]_ax2_C=O_ahf_20_2
1008
+ fe_3_eq_C=O_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_6
1009
+ co_2_eq_[SH2]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_2
1010
+ cr_3_eq_N#CC_ax1_[PH3]_ax2_[PH3]_ahf_20_2
1011
+ mn_2_eq_[SH2]_ax1_N#C[O-]_ax2_[S--]_ahf_20_6
1012
+ fe_2_eq_N#CC_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
1013
+ co_2_eq_[PH3]_ax1_[I-]_ax2_[C-]#[O+]_ahf_20_2
1014
+ fe_2_eq_N#C[O-]_ax1_[S--]_ax2_[F-]_ahf_20_5
1015
+ co_2_eq_N_ax1_[OH-]_ax2_[OH2]_ahf_20_2
1016
+ fe_3_eq_c1ccncc1_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_6
1017
+ fe_3_eq_[OH2]_ax1_[O-][O-]_ax2_C=O_ahf_20_2
1018
+ cr_3_eq_[O-][O-]_ax1_N#CC_ax2_C=O_ahf_20_2
1019
+ co_2_eq_[C-]#[O+]_ax1_[O-][O-]_ax2_[F-]_ahf_20_2
1020
+ mn_3_eq_[PH3]_ax1_C=O_ax2_C=O_ahf_20_5
1021
+ mn_2_eq_[OH-]_ax1_[F-]_ax2_[F-]_ahf_20_2
1022
+ mn_2_eq_C=O_ax1_[OH2]_ax2_[OH2]_ahf_20_2
1023
+ co_2_eq_[C-]#[O+]_ax1_[OH-]_ax2_[OH-]_ahf_20_2
1024
+ mn_2_eq_[SH2]_ax1_N_ax2_N_ahf_20_6
1025
+ fe_3_eq_[F-]_ax1_[F-]_ax2_[F-]_ahf_20_6
1026
+ cr_3_eq_[I-]_ax1_[OH-]_ax2_[SH2]_ahf_20_4
1027
+ fe_2_eq_[OH2]_ax1_N#CC_ax2_N#CC_ahf_20_5
1028
+ co_3_eq_[C-]#[O+]_ax1_[OH-]_ax2_N#[C-]_ahf_20_5
1029
+ co_3_eq_[SH2]_ax1_[I-]_ax2_[PH3]_ahf_20_5
1030
+ cr_3_eq_N#[C-]_ax1_[OH-]_ax2_[SH2]_ahf_20_4
1031
+ co_2_eq_[O-][O-]_ax1_[SH2]_ax2_[SH2]_ahf_20_2
1032
+ fe_2_eq_N_ax1_N_ax2_N_ahf_20_5
1033
+ fe_2_eq_[SH2]_ax1_[OH2]_ax2_[OH2]_ahf_20_5
1034
+ cr_2_eq_[S--]_ax1_N_ax2_N_ahf_20_5
1035
+ mn_3_eq_[SH2]_ax1_N_ax2_N_ahf_20_5
1036
+ fe_3_eq_[I-]_ax1_[PH3]_ax2_[PH3]_ahf_20_6
1037
+ mn_3_eq_[SH2]_ax1_[O-][O-]_ax2_N#C[O-]_ahf_20_5
1038
+ cr_2_eq_N#CC_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
1039
+ mn_2_eq_N#C[O-]_ax1_c1ccncc1_ax2_C=O_ahf_20_2
1040
+ fe_3_eq_N#CC_ax1_[OH2]_ax2_[C-]#[O+]_ahf_20_2
1041
+ fe_3_eq_c1ccncc1_ax1_[OH2]_ax2_[OH2]_ahf_20_6
1042
+ fe_2_eq_C=O_ax1_c1ccncc1_ax2_[F-]_ahf_20_5
1043
+ mn_2_eq_[S--]_ax1_[OH-]_ax2_[OH-]_ahf_20_6
1044
+ mn_3_eq_c1ccncc1_ax1_[S--]_ax2_[F-]_ahf_20_5
1045
+ cr_2_eq_[OH-]_ax1_[PH3]_ax2_[PH3]_ahf_20_5
1046
+ cr_3_eq_[S--]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_2
1047
+ mn_2_eq_[PH3]_ax1_N#CC_ax2_N#CC_ahf_20_2
1048
+ mn_3_eq_[F-]_ax1_[OH-]_ax2_[OH-]_ahf_20_5
1049
+ fe_2_eq_[OH-]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
1050
+ fe_3_eq_[SH2]_ax1_[OH-]_ax2_N_ahf_20_2
1051
+ cr_3_eq_N#C[O-]_ax1_N_ax2_[S--]_ahf_20_2
1052
+ cr_2_eq_N_ax1_N#[C-]_ax2_N#[C-]_ahf_20_5
1053
+ mn_2_eq_[S--]_ax1_c1ccncc1_ax2_C=O_ahf_20_2
1054
+ mn_3_eq_[PH3]_ax1_[OH-]_ax2_[OH-]_ahf_20_5
1055
+ mn_2_eq_N#C[O-]_ax1_N#[C-]_ax2_c1ccncc1_ahf_20_6
1056
+ fe_3_eq_C=O_ax1_[OH-]_ax2_[OH-]_ahf_20_6
1057
+ cr_3_eq_[S--]_ax1_[PH3]_ax2_[PH3]_ahf_20_2
1058
+ fe_3_eq_[F-]_ax1_[OH-]_ax2_[OH-]_ahf_20_2
1059
+ cr_3_eq_c1ccncc1_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_2
1060
+ co_2_eq_[OH2]_ax1_[SH2]_ax2_[SH2]_ahf_20_4
1061
+ fe_3_eq_[C-]#[O+]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
1062
+ fe_3_eq_N#CC_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_6
1063
+ fe_3_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_C=O_ax2_[F-]_ahf_20_2
1064
+ mn_2_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_N#CC_ax2_C=O_ahf_20_2
1065
+ co_2_eq_[O-][O-]_ax1_[I-]_ax2_N#C[O-]_ahf_20_2
1066
+ fe_3_eq_[F-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_2
1067
+ mn_3_eq_N#[C-]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_5
1068
+ co_2_eq_[SH2]_ax1_N#CC_ax2_N#CC_ahf_20_4
1069
+ fe_3_eq_[OH2]_ax1_[OH-]_ax2_[OH-]_ahf_20_2
1070
+ cr_2_eq_[SH2]_ax1_C=O_ax2_C=O_ahf_20_5
1071
+ co_2_eq_C=O_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_4
1072
+ fe_3_eq_[C-]#[O+]_ax1_[I-]_ax2_N#[C-]_ahf_20_2
1073
+ fe_2_eq_[PH3]_ax1_C=O_ax2_[PH3]_ahf_20_5
1074
+ fe_2_eq_N#C[O-]_ax1_[SH2]_ax2_[SH2]_ahf_20_5
1075
+ cr_3_eq_N#[C-]_ax1_[SH2]_ax2_[SH2]_ahf_20_2
1076
+ fe_2_eq_[SH2]_ax1_[PH3]_ax2_[PH3]_ahf_20_5
1077
+ co_2_eq_[PH3]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_4
1078
+ co_2_eq_N_ax1_[PH3]_ax2_[PH3]_ahf_20_4
1079
+ cr_2_eq_[PH3]_ax1_N_ax2_N_ahf_20_5
1080
+ cr_2_eq_N#[C-]_ax1_C=O_ax2_C=O_ahf_20_5
1081
+ cr_3_eq_[OH2]_ax1_C=O_ax2_C=O_ahf_20_2
1082
+ co_2_eq_N#CC_ax1_[O-][O-]_ax2_[SH2]_ahf_20_4
1083
+ mn_2_eq_[PH3]_ax1_[OH2]_ax2_[OH2]_ahf_20_2
1084
+ cr_3_eq_[S--]_ax1_N_ax2_N_ahf_20_2
1085
+ mn_2_eq_N#CC_ax1_N#CC_ax2_N#CC_ahf_20_6
1086
+ cr_2_eq_[SH2]_ax1_[I-]_ax2_[I-]_ahf_20_5
1087
+ co_2_eq_N#CC_ax1_[OH-]_ax2_N#CC_ahf_20_4
1088
+ cr_3_eq_[O-][O-]_ax1_C=O_ax2_C=O_ahf_20_4
1089
+ co_2_eq_C=O_ax1_[F-]_ax2_[F-]_ahf_20_4
1090
+ co_2_eq_[SH2]_ax1_[I-]_ax2_N_ahf_20_2
1091
+ mn_3_eq_c1ccncc1_ax1_N#CC_ax2_N#CC_ahf_20_5
1092
+ fe_2_eq_[S--]_ax1_[I-]_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_5
1093
+ co_2_eq_[OH2]_ax1_[OH-]_ax2_[OH-]_ahf_20_2
1094
+ cr_3_eq_[SH2]_ax1_[OH2]_ax2_[S--]_ahf_20_2
1095
+ fe_3_eq_c1ccncc1_ax1_C=O_ax2_[F-]_ahf_20_6
1096
+ fe_2_eq_[I-]_ax1_[I-]_ax2_[I-]_ahf_20_5
1097
+ mn_2_eq_[SH2]_ax1_[C-]#[O+]_ax2_[F-]_ahf_20_2
1098
+ mn_2_eq_[OH-]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_2
1099
+ cr_3_eq_[I-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_4
1100
+ mn_3_eq_[OH2]_ax1_N#CC_ax2_N#CC_ahf_20_5
1101
+ co_2_eq_N#CC_ax1_N#CC_ax2_[F-]_ahf_20_2
1102
+ fe_3_eq_N#CC_ax1_[SH2]_ax2_[SH2]_ahf_20_2
1103
+ fe_3_eq_N#C[O-]_ax1_[S--]_ax2_[PH3]_ahf_20_6
1104
+ mn_2_eq_[SH2]_ax1_N#CC_ax2_N#CC_ahf_20_2
1105
+ mn_2_eq_[S--]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_6
1106
+ mn_3_eq_N#CC_ax1_[OH2]_ax2_[OH2]_ahf_20_5
1107
+ cr_3_eq_N#CC_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_4
1108
+ co_3_eq_[OH-]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_[SH2]_ahf_20_5
1109
+ mn_3_eq_C=O_ax1_[SH2]_ax2_[SH2]_ahf_20_5
1110
+ mn_2_eq_[C-]#[O+]_ax1_[OH2]_ax2_[OH2]_ahf_20_2
1111
+ cr_3_eq_[O-][O-]_ax1_[OH-]_ax2_[OH-]_ahf_20_4
1112
+ cr_3_eq_C=O_ax1_[PH3]_ax2_[PH3]_ahf_20_2
1113
+ cr_2_eq_[PH3]_ax1_[OH-]_ax2_[PH3]_ahf_20_5
1114
+ mn_2_eq_c1ccncc1_ax1_[O-][O-]_ax2_N#C[O-]_ahf_20_2
1115
+ co_2_eq_[C-]#[O+]_ax1_[OH2]_ax2_N_ahf_20_4
1116
+ cr_3_eq_[OH2]_ax1_C=O_ax2_C=O_ahf_20_4
1117
+ fe_3_eq_C=O_ax1_[O-][O-]_ax2_[F-]_ahf_20_2
1118
+ co_2_eq_N_ax1_N_ax2_N_ahf_20_4
1119
+ cr_3_eq_c1ccncc1_ax1_[I-]_ax2_[I-]_ahf_20_4
1120
+ cr_3_eq_[I-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_2
1121
+ co_2_eq_N#C[O-]_ax1_[OH2]_ax2_[OH2]_ahf_20_2
1122
+ cr_2_eq_N#CC_ax1_[SH2]_ax2_[SH2]_ahf_20_5
1123
+ co_2_eq_[PH3]_ax1_c1ccncc1_ax2_[S--]_ahf_20_4
1124
+ mn_3_eq_N#[C-]_ax1_N#CC_ax2_N#CC_ahf_20_5
1125
+ co_2_eq_[PH3]_ax1_[OH-]_ax2_N#CC_ahf_20_2
1126
+ co_2_eq_[SH2]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
1127
+ cr_3_eq_[I-]_ax1_N#CC_ax2_N#CC_ahf_20_4
1128
+ mn_2_eq_[F-]_ax1_[OH-]_ax2_[OH-]_ahf_20_6
1129
+ fe_3_eq_[OH-]_ax1_[F-]_ax2_[F-]_ahf_20_2
1130
+ mn_2_eq_[SH2]_ax1_[OH-]_ax2_N#[C-]_ahf_20_6
1131
+ cr_3_eq_N#CC_ax1_[OH-]_ax2_[OH-]_ahf_20_4
1132
+ cr_2_eq_N#CC_ax1_[O-][O-]_ax2_c1ccncc1_ahf_20_5
1133
+ fe_3_eq_[S--]_ax1_[O-][O-]_ax2_C=O_ahf_20_2
1134
+ cr_3_eq_[C-]#[O+]_ax1_[C-]#[O+]_ax2_[S--]_ahf_20_4
1135
+ mn_2_eq_[SH2]_ax1_[O-][O-]_ax2_N#C[O-]_ahf_20_6
1136
+ co_2_eq_[OH-]_ax1_[OH-]_ax2_[OH-]_ahf_20_2
1137
+ cr_3_eq_N#C[O-]_ax1_[PH3]_ax2_[PH3]_ahf_20_4
1138
+ co_2_eq_[PH3]_ax1_c1ccncc1_ax2_[S--]_ahf_20_2
1139
+ cr_3_eq_N#[C-]_ax1_C=O_ax2_[PH3]_ahf_20_2
1140
+ mn_2_eq_[O-][O-]_ax1_N#CC_ax2_N#CC_ahf_20_2
1141
+ co_2_eq_N_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_2
1142
+ co_2_eq_N#CC_ax1_[PH3]_ax2_[PH3]_ahf_20_2
1143
+ co_2_eq_[PH3]_ax1_[I-]_ax2_[OH2]_ahf_20_4
1144
+ mn_2_eq_[PH3]_ax1_[PH3]_ax2_[PH3]_ahf_20_6
1145
+ co_3_eq_[PH3]_ax1_[I-]_ax2_[C-]#[O+]_ahf_20_5
1146
+ mn_2_eq_[O-][O-]_ax1_[PH3]_ax2_[PH3]_ahf_20_6
1147
+ fe_2_eq_N#CC_ax1_[SH2]_ax2_[SH2]_ahf_20_5
1148
+ co_2_eq_[OH-]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
1149
+ co_2_eq_[PH3]_ax1_c1ccncc1_ax2_N_ahf_20_4
1150
+ co_2_eq_[PH3]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_4
1151
+ co_2_eq_[S--]_ax1_N#[C-]_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_2
1152
+ co_2_eq_C=O_ax1_N#[C-]_ax2_N#CC_ahf_20_2
1153
+ cr_3_eq_[OH2]_ax1_N#CC_ax2_[S--]_ahf_20_2
1154
+ mn_2_eq_[PH3]_ax1_[O-][O-]_ax2_[OH2]_ahf_20_2
1155
+ fe_3_eq_[S--]_ax1_[OH-]_ax2_[PH3]_ahf_20_2
1156
+ cr_2_eq_N#CC_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_5
1157
+ co_3_eq_[C-]#[O+]_ax1_c1ccncc1_ax2_C=O_ahf_20_5
1158
+ fe_3_eq_[PH3]_ax1_c1ccncc1_ax2_[PH3]_ahf_20_6
1159
+ cr_2_eq_c1ccncc1_ax1_[PH3]_ax2_[PH3]_ahf_20_5
1160
+ mn_2_eq_N#CC_ax1_N#[C-]_ax2_N_ahf_20_2
1161
+ fe_3_eq_N_ax1_N_ax2_N_ahf_20_2
1162
+ cr_2_eq_N_ax1_N#CC_ax2_N#CC_ahf_20_5
1163
+ mn_2_eq_[OH2]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_6
1164
+ fe_3_eq_c1ccncc1_ax1_[PH3]_ax2_[PH3]_ahf_20_2
1165
+ fe_2_eq_[OH2]_ax1_[OH-]_ax2_[OH-]_ahf_20_5
1166
+ fe_3_eq_[O-][O-]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_6
1167
+ co_2_eq_[O-][O-]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_2
1168
+ co_2_eq_c1ccncc1_ax1_N#[C-]_ax2_C=O_ahf_20_2
1169
+ co_2_eq_[OH2]_ax1_N_ax2_N_ahf_20_2
1170
+ co_2_eq_C=O_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
1171
+ cr_2_eq_[F-]_ax1_N#CC_ax2_N#CC_ahf_20_5
1172
+ mn_2_eq_[S--]_ax1_C=O_ax2_C=O_ahf_20_2
1173
+ fe_3_eq_[C-]#[O+]_ax1_N_ax2_C=O_ahf_20_6
1174
+ co_2_eq_[O-][O-]_ax1_[O-][O-]_ax2_[I-]_ahf_20_2
1175
+ fe_3_eq_c1ccncc1_ax1_[OH2]_ax2_[F-]_ahf_20_6
1176
+ mn_2_eq_[SH2]_ax1_[OH2]_ax2_[S--]_ahf_20_6
1177
+ mn_2_eq_[OH2]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_2
1178
+ co_3_eq_[C-]#[O+]_ax1_[O-][O-]_ax2_[F-]_ahf_20_5
1179
+ fe_3_eq_N_ax1_[OH-]_ax2_[OH-]_ahf_20_6
1180
+ cr_3_eq_[I-]_ax1_[I-]_ax2_[I-]_ahf_20_2
1181
+ cr_3_eq_[F-]_ax1_N#CC_ax2_N#CC_ahf_20_2
1182
+ cr_3_eq_N#[C-]_ax1_[OH-]_ax2_[OH-]_ahf_20_4
1183
+ mn_3_eq_N#[C-]_ax1_[SH2]_ax2_[SH2]_ahf_20_5
1184
+ cr_3_eq_C=O_ax1_[OH2]_ax2_[F-]_ahf_20_2
1185
+ fe_3_eq_[SH2]_ax1_[OH-]_ax2_N#[C-]_ahf_20_2
1186
+ fe_3_eq_[OH2]_ax1_[PH3]_ax2_[PH3]_ahf_20_6
1187
+ mn_2_eq_N#[C-]_ax1_N_ax2_[F-]_ahf_20_2
1188
+ mn_2_eq_[PH3]_ax1_N#C[O-]_ax2_[SH2]_ahf_20_6
1189
+ mn_2_eq_C=O_ax1_[SH2]_ax2_[SH2]_ahf_20_6
1190
+ cr_3_eq_[S--]_ax1_[OH-]_ax2_[S--]_ahf_20_2
1191
+ mn_3_eq_N_ax1_[OH2]_ax2_[OH2]_ahf_20_5
1192
+ cr_3_eq_[PH3]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_4
1193
+ mn_3_eq_[SH2]_ax1_[OH-]_ax2_N#[C-]_ahf_20_5
1194
+ fe_3_eq_[I-]_ax1_N#CC_ax2_N#CC_ahf_20_2
1195
+ fe_3_eq_N#[C-]_ax1_[OH-]_ax2_[OH2]_ahf_20_6
1196
+ fe_2_eq_c1ccncc1_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_5
1197
+ cr_3_eq_C=O_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_4
1198
+ co_2_eq_N_ax1_[SH2]_ax2_[SH2]_ahf_20_4
1199
+ mn_2_eq_C=O_ax1_[PH3]_ax2_[PH3]_ahf_20_2
1200
+ co_2_eq_[SH2]_ax1_N#CC_ax2_N#CC_ahf_20_2
1201
+ cr_2_eq_N#CC_ax1_[OH-]_ax2_[OH-]_ahf_20_5
1202
+ co_2_eq_C=O_ax1_[OH-]_ax2_[OH-]_ahf_20_4
1203
+ co_3_eq_[OH2]_ax1_[OH2]_ax2_[OH2]_ahf_20_5
1204
+ cr_2_eq_[I-]_ax1_N#CC_ax2_N#CC_ahf_20_5
1205
+ fe_2_eq_[SH2]_ax1_[I-]_ax2_[PH3]_ahf_20_5
1206
+ co_2_eq_[PH3]_ax1_[I-]_ax2_[I-]_ahf_20_4
1207
+ co_2_eq_[C-]#[O+]_ax1_[O-][O-]_ax2_[C-]#[O+]_ahf_20_4
1208
+ cr_3_eq_[O-][O-]_ax1_N#[C-]_ax2_[F-]_ahf_20_4
1209
+ cr_3_eq_[O-][O-]_ax1_N#C[O-]_ax2_C=O_ahf_20_4
1210
+ cr_3_eq_N_ax1_[OH2]_ax2_[OH2]_ahf_20_4
1211
+ cr_3_eq_[PH3]_ax1_[O-][O-]_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_4
1212
+ cr_3_eq_[F-]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_4
1213
+ mn_3_eq_N#[C-]_ax1_C=O_ax2_C=O_ahf_20_5
1214
+ co_2_eq_C=O_ax1_[OH-]_ax2_[OH-]_ahf_20_2
1215
+ co_3_eq_N_ax1_C=O_ax2_C=O_ahf_20_5
1216
+ co_2_eq_C=O_ax1_N_ax2_N_ahf_20_2
1217
+ mn_2_eq_N#CC_ax1_[OH2]_ax2_[OH2]_ahf_20_6
1218
+ fe_3_eq_N_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
1219
+ co_2_eq_[PH3]_ax1_[PH3]_ax2_[PH3]_ahf_20_4
1220
+ mn_3_eq_[C-]#[O+]_ax1_[PH3]_ax2_[PH3]_ahf_20_5
1221
+ fe_3_eq_[OH2]_ax1_C=O_ax2_C=O_ahf_20_6
1222
+ cr_2_eq_[O-][O-]_ax1_N_ax2_[F-]_ahf_20_5
1223
+ fe_3_eq_N#[C-]_ax1_[S--]_ax2_[S--]_ahf_20_2
1224
+ cr_3_eq_N#[C-]_ax1_[C-]#[O+]_ax2_[PH3]_ahf_20_2
1225
+ co_3_eq_[F-]_ax1_[O-][O-]_ax2_[PH3]_ahf_20_5
1226
+ cr_2_eq_[OH2]_ax1_N#CC_ax2_c1ccncc1_ahf_20_5
1227
+ cr_3_eq_[S--]_ax1_[I-]_ax2_[I-]_ahf_20_2
1228
+ co_2_eq_[OH2]_ax1_N#CC_ax2_N#CC_ahf_20_2
1229
+ cr_3_eq_[S--]_ax1_N#C[O-]_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_2
1230
+ co_2_eq_c1ccncc1_ax1_N_ax2_C=O_ahf_20_2
1231
+ mn_3_eq_C=O_ax1_c1ccncc1_ax2_[F-]_ahf_20_5
1232
+ cr_3_eq_[I-]_ax1_N_ax2_N_ahf_20_2
1233
+ mn_2_eq_N_ax1_N#CC_ax2_N#CC_ahf_20_2
1234
+ mn_3_eq_C=O_ax1_[PH3]_ax2_[PH3]_ahf_20_5
1235
+ mn_2_eq_c1ccncc1_ax1_N_ax2_N_ahf_20_6
1236
+ cr_3_eq_[OH2]_ax1_[S--]_ax2_[F-]_ahf_20_2
1237
+ fe_3_eq_N#C[O-]_ax1_[SH2]_ax2_[SH2]_ahf_20_6
1238
+ mn_2_eq_C=O_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_2
1239
+ fe_3_eq_[PH3]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_2
1240
+ co_3_eq_C=O_ax1_[I-]_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_5
1241
+ fe_2_eq_[OH-]_ax1_N_ax2_N_ahf_20_5
1242
+ mn_2_eq_N#[C-]_ax1_N#CC_ax2_N#CC_ahf_20_6
1243
+ mn_3_eq_N#C[O-]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_5
1244
+ cr_2_eq_c1ccncc1_ax1_N#CC_ax2_N#CC_ahf_20_5
1245
+ co_2_eq_[OH-]_ax1_N#C[O-]_ax2_[OH-]_ahf_20_4
1246
+ fe_2_eq_[F-]_ax1_N#CC_ax2_N#CC_ahf_20_5
1247
+ cr_3_eq_N#CC_ax1_C=O_ax2_C=O_ahf_20_4
1248
+ mn_2_eq_[OH2]_ax1_N_ax2_N_ahf_20_2
1249
+ mn_2_eq_C=O_ax1_N#CC_ax2_N#CC_ahf_20_6
1250
+ co_2_eq_c1ccncc1_ax1_[SH2]_ax2_[SH2]_ahf_20_4
1251
+ mn_3_eq_[OH-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_5
1252
+ cr_2_eq_[C-]#[O+]_ax1_[OH2]_ax2_[S--]_ahf_20_5
1253
+ co_3_eq_[SH2]_ax1_[OH-]_ax2_[PH3]_ahf_20_5
1254
+ mn_2_eq_[SH2]_ax1_[PH3]_ax2_[PH3]_ahf_20_6
1255
+ co_2_eq_c1ccncc1_ax1_[I-]_ax2_[OH-]_ahf_20_2
1256
+ cr_3_eq_[F-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_2
1257
+ fe_3_eq_[O-][O-]_ax1_N_ax2_N_ahf_20_2
1258
+ cr_2_eq_[SH2]_ax1_[I-]_ax2_[C-]#[O+]_ahf_20_5
1259
+ cr_3_eq_N_ax1_N#[C-]_ax2_N#[C-]_ahf_20_2
1260
+ cr_3_eq_[O-][O-]_ax1_N#CC_ax2_N#CC_ahf_20_2
1261
+ cr_3_eq_[SH2]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_4
1262
+ fe_3_eq_[C-]#[O+]_ax1_N#CC_ax2_[S--]_ahf_20_2
1263
+ co_2_eq_[OH2]_ax1_[PH3]_ax2_[PH3]_ahf_20_2
1264
+ mn_2_eq_[C-]#[O+]_ax1_[I-]_ax2_[I-]_ahf_20_2
1265
+ cr_3_eq_[OH2]_ax1_[C-]#[O+]_ax2_[PH3]_ahf_20_2
1266
+ cr_3_eq_[OH2]_ax1_N#CC_ax2_[S--]_ahf_20_4
1267
+ mn_3_eq_[PH3]_ax1_N#C[O-]_ax2_[OH2]_ahf_20_5
1268
+ mn_2_eq_[OH2]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_[PH3]_ahf_20_2
1269
+ fe_3_eq_[SH2]_ax1_[PH3]_ax2_[PH3]_ahf_20_2
1270
+ fe_3_eq_[O-][O-]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_2
1271
+ mn_2_eq_[SH2]_ax1_[OH-]_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_6
1272
+ co_3_eq_N#CC_ax1_[OH-]_ax2_[C-]#[O+]_ahf_20_5
1273
+ cr_3_eq_[F-]_ax1_[OH2]_ax2_[PH3]_ahf_20_2
1274
+ co_2_eq_[OH2]_ax1_[OH-]_ax2_[OH-]_ahf_20_4
1275
+ co_2_eq_[I-]_ax1_[PH3]_ax2_[PH3]_ahf_20_2
1276
+ mn_2_eq_[SH2]_ax1_[OH2]_ax2_[OH2]_ahf_20_2
1277
+ mn_2_eq_[OH2]_ax1_[I-]_ax2_[I-]_ahf_20_2
1278
+ fe_3_eq_N#C[O-]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_2
1279
+ cr_3_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_C=O_ax2_C=O_ahf_20_2
1280
+ mn_2_eq_[O-][O-]_ax1_[OH-]_ax2_[C-]#[O+]_ahf_20_2
1281
+ fe_3_eq_N#C[O-]_ax1_N#CC_ax2_N#CC_ahf_20_6
1282
+ fe_3_eq_[PH3]_ax1_[OH2]_ax2_[OH2]_ahf_20_6
1283
+ cr_3_eq_[OH2]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_2
1284
+ fe_3_eq_[C-]#[O+]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_6
1285
+ mn_2_eq_[PH3]_ax1_[S--]_ax2_[S--]_ahf_20_2
1286
+ co_2_eq_[OH2]_ax1_[OH2]_ax2_[OH2]_ahf_20_4
1287
+ mn_3_eq_[PH3]_ax1_N_ax2_N_ahf_20_5
1288
+ co_3_eq_[PH3]_ax1_[PH3]_ax2_[PH3]_ahf_20_5
1289
+ fe_2_eq_[I-]_ax1_[SH2]_ax2_[SH2]_ahf_20_5
1290
+ mn_2_eq_[PH3]_ax1_[SH2]_ax2_[SH2]_ahf_20_6
1291
+ co_3_eq_c1ccncc1_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
1292
+ mn_3_eq_c1ccncc1_ax1_[PH3]_ax2_[PH3]_ahf_20_5
1293
+ fe_2_eq_c1ccncc1_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_5
1294
+ cr_3_eq_[OH2]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_4
1295
+ fe_3_eq_[SH2]_ax1_[OH-]_ax2_[OH-]_ahf_20_2
1296
+ mn_2_eq_[PH3]_ax1_[O-][O-]_ax2_[I-]_ahf_20_6
1297
+ cr_2_eq_[OH-]_ax1_C=O_ax2_C=O_ahf_20_5
1298
+ fe_3_eq_N#CC_ax1_c1ccncc1_ax2_N_ahf_20_6
1299
+ cr_3_eq_c1ccncc1_ax1_[S--]_ax2_[S--]_ahf_20_4
1300
+ fe_3_eq_N#C[O-]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_6
1301
+ cr_3_eq_[O-][O-]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_4
1302
+ cr_2_eq_c1ccncc1_ax1_N#[C-]_ax2_[C-]#[O+]_ahf_20_5
1303
+ mn_3_eq_N#CC_ax1_c1ccncc1_ax2_C=O_ahf_20_5
1304
+ fe_3_eq_[PH3]_ax1_[OH-]_ax2_[OH-]_ahf_20_6
1305
+ mn_3_eq_C=O_ax1_[OH-]_ax2_[OH-]_ahf_20_5
1306
+ co_3_eq_[PH3]_ax1_[I-]_ax2_[I-]_ahf_20_5
1307
+ mn_2_eq_N_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_6
1308
+ co_2_eq_N_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
1309
+ cr_3_eq_N#CC_ax1_N_ax2_N_ahf_20_2
1310
+ fe_3_eq_N_ax1_c1ccncc1_ax2_N_ahf_20_2
1311
+ fe_3_eq_C=O_ax1_N_ax2_N_ahf_20_6
1312
+ mn_3_eq_C=O_ax1_[F-]_ax2_[F-]_ahf_20_5
1313
+ fe_2_eq_N#CC_ax1_[PH3]_ax2_[PH3]_ahf_20_5
1314
+ cr_2_eq_C=O_ax1_[PH3]_ax2_[PH3]_ahf_20_5
1315
+ mn_2_eq_[SH2]_ax1_[SH2]_ax2_[SH2]_ahf_20_2
1316
+ mn_3_eq_[SH2]_ax1_[O-][O-]_ax2_[F-]_ahf_20_5
1317
+ mn_3_eq_N#C[O-]_ax1_N_ax2_[PH3]_ahf_20_5
1318
+ fe_3_eq_c1ccncc1_ax1_N#CC_ax2_N#CC_ahf_20_2
1319
+ cr_3_eq_[OH2]_ax1_[O-][O-]_ax2_N_ahf_20_4
1320
+ co_2_eq_N_ax1_[OH2]_ax2_[C-]#[O+]_ahf_20_4
1321
+ cr_2_eq_[O-][O-]_ax1_[OH-]_ax2_[OH2]_ahf_20_5
1322
+ co_2_eq_N_ax1_[OH2]_ax2_[C-]#[O+]_ahf_20_2
1323
+ co_3_eq_[F-]_ax1_N#CC_ax2_C=O_ahf_20_5
1324
+ fe_2_eq_N#C[O-]_ax1_N#CC_ax2_N#CC_ahf_20_5
1325
+ mn_2_eq_[C-]#[O+]_ax1_[I-]_ax2_[OH-]_ahf_20_2
1326
+ cr_2_eq_C=O_ax1_[OH2]_ax2_[F-]_ahf_20_5
1327
+ mn_2_eq_[C-]#[O+]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_6
1328
+ cr_3_eq_[C-]#[O+]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_4
1329
+ mn_2_eq_N#CC_ax1_N#CC_ax2_[S--]_ahf_20_2
1330
+ mn_3_eq_N#C[O-]_ax1_[SH2]_ax2_[SH2]_ahf_20_5
1331
+ cr_3_eq_[S--]_ax1_[OH-]_ax2_N#CC_ahf_20_2
1332
+ cr_2_eq_N#CC_ax1_N#CC_ax2_[SH2]_ahf_20_5
1333
+ mn_2_eq_c1ccncc1_ax1_N_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_6
1334
+ cr_2_eq_[F-]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
1335
+ co_3_eq_N_ax1_N#C[O-]_ax2_N#CC_ahf_20_5
1336
+ cr_2_eq_[OH2]_ax1_N#C[O-]_ax2_c1ccncc1_ahf_20_5
1337
+ mn_3_eq_N_ax1_N#C[O-]_ax2_[OH2]_ahf_20_5
1338
+ fe_3_eq_[C-]#[O+]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_2
1339
+ fe_3_eq_N_ax1_[OH2]_ax2_[SH2]_ahf_20_2
1340
+ co_2_eq_[OH-]_ax1_N_ax2_[F-]_ahf_20_2
1341
+ fe_3_eq_[OH2]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_6
1342
+ co_2_eq_c1ccncc1_ax1_N#[C-]_ax2_N#[C-]_ahf_20_4
1343
+ fe_2_eq_N_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
1344
+ cr_3_eq_[F-]_ax1_[OH2]_ax2_[PH3]_ahf_20_4
1345
+ mn_3_eq_N_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
1346
+ fe_2_eq_C=O_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
1347
+ cr_3_eq_c1ccncc1_ax1_[PH3]_ax2_[PH3]_ahf_20_4
1348
+ fe_3_eq_N#CC_ax1_[F-]_ax2_[F-]_ahf_20_6
1349
+ cr_3_eq_N#CC_ax1_N#[C-]_ax2_N#[C-]_ahf_20_2
1350
+ mn_2_eq_N#CC_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_2
1351
+ co_2_eq_[OH2]_ax1_[I-]_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_4
1352
+ mn_2_eq_N_ax1_N#CC_ax2_[SH2]_ahf_20_2
1353
+ cr_3_eq_C=O_ax1_[I-]_ax2_N_ahf_20_2
1354
+ cr_3_eq_C=O_ax1_[OH-]_ax2_N_ahf_20_4
1355
+ mn_2_eq_[OH2]_ax1_[PH3]_ax2_[PH3]_ahf_20_2
1356
+ co_3_eq_[PH3]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_5
1357
+ mn_2_eq_N#[C-]_ax1_[OH2]_ax2_[OH2]_ahf_20_6
1358
+ co_2_eq_[OH2]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_4
1359
+ fe_3_eq_[O-][O-]_ax1_N#CC_ax2_C=O_ahf_20_6
1360
+ mn_3_eq_N_ax1_[SH2]_ax2_[SH2]_ahf_20_5
1361
+ fe_2_eq_c1ccncc1_ax1_[OH2]_ax2_[OH2]_ahf_20_5
1362
+ co_2_eq_[OH2]_ax1_[OH2]_ax2_N#CC_ahf_20_2
1363
+ fe_3_eq_[O-][O-]_ax1_[OH-]_ax2_[OH-]_ahf_20_6
1364
+ cr_3_eq_N#[C-]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_4
1365
+ mn_2_eq_c1ccncc1_ax1_[OH2]_ax2_[OH2]_ahf_20_2
1366
+ co_2_eq_[PH3]_ax1_N#CC_ax2_N#CC_ahf_20_2
1367
+ cr_2_eq_[O-][O-]_ax1_N#CC_ax2_C=O_ahf_20_5
1368
+ mn_3_eq_C=O_ax1_C=O_ax2_C=O_ahf_20_5
1369
+ co_2_eq_[OH2]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_2
1370
+ mn_2_eq_[OH2]_ax1_[SH2]_ax2_[SH2]_ahf_20_2
1371
+ co_2_eq_[F-]_ax1_[OH-]_ax2_[OH-]_ahf_20_4
1372
+ cr_3_eq_N#C[O-]_ax1_[OH-]_ax2_[OH-]_ahf_20_2
1373
+ fe_3_eq_N#CC_ax1_N_ax2_[SH2]_ahf_20_6
1374
+ mn_2_eq_N#C[O-]_ax1_c1ccncc1_ax2_C=O_ahf_20_6
1375
+ mn_2_eq_c1ccncc1_ax1_N#[C-]_ax2_[F-]_ahf_20_6
1376
+ co_2_eq_[C-]#[O+]_ax1_N_ax2_N_ahf_20_2
1377
+ cr_2_eq_[SH2]_ax1_N#CC_ax2_N#CC_ahf_20_5
1378
+ fe_2_eq_C=O_ax1_[OH-]_ax2_[OH-]_ahf_20_5
1379
+ fe_3_eq_[I-]_ax1_N#CC_ax2_N#CC_ahf_20_6
1380
+ cr_3_eq_C=O_ax1_[S--]_ax2_[S--]_ahf_20_2
1381
+ mn_2_eq_N#CC_ax1_N#CC_ax2_[S--]_ahf_20_6
1382
+ mn_3_eq_C=O_ax1_[OH2]_ax2_N_ahf_20_5
1383
+ co_3_eq_C=O_ax1_[O-][O-]_ax2_[S--]_ahf_20_5
1384
+ mn_2_eq_[S--]_ax1_[OH-]_ax2_[OH-]_ahf_20_2
1385
+ mn_2_eq_[OH2]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_6
1386
+ mn_2_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_2
1387
+ cr_2_eq_N_ax1_N_ax2_N_ahf_20_5
1388
+ fe_2_eq_C=O_ax1_[O-][O-]_ax2_[F-]_ahf_20_5
1389
+ mn_2_eq_[OH-]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_2
1390
+ co_2_eq_[PH3]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_2
1391
+ cr_2_eq_N#[C-]_ax1_[SH2]_ax2_[SH2]_ahf_20_5
1392
+ fe_2_eq_[PH3]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_5
1393
+ fe_3_eq_[C-]#[O+]_ax1_[I-]_ax2_[F-]_ahf_20_6
1394
+ fe_3_eq_[O-][O-]_ax1_[OH-]_ax2_[F-]_ahf_20_2
1395
+ co_2_eq_[O-][O-]_ax1_N#CC_ax2_[S--]_ahf_20_4
1396
+ cr_3_eq_[I-]_ax1_c1ccncc1_ax2_N_ahf_20_4
1397
+ cr_2_eq_N#C[O-]_ax1_N_ax2_N_ahf_20_5
1398
+ co_3_eq_C=O_ax1_N#[C-]_ax2_N#CC_ahf_20_5
1399
+ co_2_eq_[C-]#[O+]_ax1_[OH-]_ax2_N#[C-]_ahf_20_4
1400
+ fe_3_eq_c1ccncc1_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_2
1401
+ co_2_eq_c1ccncc1_ax1_[O-][O-]_ax2_N_ahf_20_2
1402
+ fe_2_eq_N#CC_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
1403
+ fe_3_eq_[C-]#[O+]_ax1_N#C[O-]_ax2_[OH2]_ahf_20_6
1404
+ cr_3_eq_[S--]_ax1_C=O_ax2_[S--]_ahf_20_2
1405
+ co_2_eq_[F-]_ax1_[PH3]_ax2_[PH3]_ahf_20_2
1406
+ mn_2_eq_N#CC_ax1_c1ccncc1_ax2_C=O_ahf_20_2
1407
+ mn_2_eq_[S--]_ax1_C=O_ax2_[PH3]_ahf_20_2
1408
+ cr_3_eq_[S--]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_4
1409
+ mn_2_eq_N#CC_ax1_[SH2]_ax2_[SH2]_ahf_20_6
1410
+ co_2_eq_[OH-]_ax1_[PH3]_ax2_[PH3]_ahf_20_4
1411
+ mn_2_eq_N#CC_ax1_c1ccncc1_ax2_C=O_ahf_20_6
1412
+ co_2_eq_[PH3]_ax1_[I-]_ax2_[I-]_ahf_20_2
1413
+ mn_3_eq_c1ccncc1_ax1_N#C[O-]_ax2_N_ahf_20_5
1414
+ fe_2_eq_c1ccncc1_ax1_[OH2]_ax2_[F-]_ahf_20_5
1415
+ fe_3_eq_N#CC_ax1_N#CC_ax2_N_ahf_20_2
1416
+ fe_3_eq_[PH3]_ax1_N#C[O-]_ax2_[F-]_ahf_20_2
1417
+ co_2_eq_C=O_ax1_[C-]#[O+]_ax2_[F-]_ahf_20_2
1418
+ cr_3_eq_[SH2]_ax1_[I-]_ax2_[C-]#[O+]_ahf_20_4
1419
+ fe_3_eq_N#C[O-]_ax1_c1ccncc1_ax2_[F-]_ahf_20_2
1420
+ mn_3_eq_[O-][O-]_ax1_[OH-]_ax2_[OH-]_ahf_20_5
1421
+ fe_3_eq_N#C[O-]_ax1_[OH2]_ax2_[OH2]_ahf_20_6
1422
+ fe_2_eq_N_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_5
1423
+ fe_3_eq_C=O_ax1_N#CC_ax2_N#CC_ahf_20_6
1424
+ cr_3_eq_N#[C-]_ax1_[OH2]_ax2_[OH2]_ahf_20_2
1425
+ cr_3_eq_[OH2]_ax1_N#CC_ax2_c1ccncc1_ahf_20_4
1426
+ fe_3_eq_C=O_ax1_N_ax2_N_ahf_20_6
1427
+ fe_2_eq_[F-]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
1428
+ cr_2_eq_[OH2]_ax1_[O-][O-]_ax2_[F-]_ahf_20_5
1429
+ co_3_eq_[PH3]_ax1_[OH-]_ax2_N#CC_ahf_20_5
1430
+ mn_3_eq_[OH2]_ax1_[F-]_ax2_[SH2]_ahf_20_5
1431
+ cr_3_eq_C=O_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
1432
+ co_3_eq_[PH3]_ax1_[F-]_ax2_[F-]_ahf_20_5
1433
+ mn_3_eq_c1ccncc1_ax1_[OH2]_ax2_[OH2]_ahf_20_5
1434
+ cr_3_eq_[I-]_ax1_[SH2]_ax2_[SH2]_ahf_20_2
1435
+ co_2_eq_c1ccncc1_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_4
1436
+ fe_2_eq_c1ccncc1_ax1_[O-][O-]_ax2_[C-]#[O+]_ahf_20_5
1437
+ fe_2_eq_[OH2]_ax1_[O-][O-]_ax2_N#CC_ahf_20_5
1438
+ mn_3_eq_N#CC_ax1_[I-]_ax2_[I-]_ahf_20_5
1439
+ mn_3_eq_c1ccncc1_ax1_N_ax2_N_ahf_20_5
1440
+ co_2_eq_N#CC_ax1_[OH-]_ax2_[OH-]_ahf_20_4
1441
+ mn_2_eq_[I-]_ax1_C=O_ax2_C=O_ahf_20_6
1442
+ cr_3_eq_N_ax1_N_ax2_N_ahf_20_4
1443
+ fe_3_eq_C=O_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_2
1444
+ fe_3_eq_N#CC_ax1_N#C[O-]_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_6
1445
+ cr_3_eq_[O-][O-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_4
1446
+ cr_3_eq_[OH-]_ax1_[OH2]_ax2_[OH2]_ahf_20_4
1447
+ mn_2_eq_c1ccncc1_ax1_N_ax2_[C-]#[O+]_ahf_20_6
1448
+ cr_3_eq_N#CC_ax1_N#[C-]_ax2_N#[C-]_ahf_20_4
1449
+ mn_3_eq_C=O_ax1_[S--]_ax2_[F-]_ahf_20_5
1450
+ co_2_eq_[OH2]_ax1_N#CC_ax2_N#CC_ahf_20_4
1451
+ mn_2_eq_c1ccncc1_ax1_N_ax2_N_ahf_20_2
1452
+ mn_2_eq_[F-]_ax1_N#CC_ax2_c1ccncc1_ahf_20_2
1453
+ mn_2_eq_N#C[O-]_ax1_C=O_ax2_C=O_ahf_20_6
1454
+ cr_2_eq_[PH3]_ax1_[OH2]_ax2_[OH2]_ahf_20_5
1455
+ cr_3_eq_[I-]_ax1_N#CC_ax2_N#CC_ahf_20_2
1456
+ mn_2_eq_C=O_ax1_[OH-]_ax2_N_ahf_20_2
1457
+ cr_3_eq_[PH3]_ax1_[OH2]_ax2_[OH2]_ahf_20_4
1458
+ fe_3_eq_N#CC_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
1459
+ fe_2_eq_[PH3]_ax1_[SH2]_ax2_[SH2]_ahf_20_5
1460
+ cr_3_eq_N_ax1_c1ccncc1_ax2_[SH2]_ahf_20_2
1461
+ fe_3_eq_[OH2]_ax1_C=O_ax2_C=O_ahf_20_2
1462
+ fe_3_eq_C=O_ax1_[OH-]_ax2_[OH-]_ahf_20_2
1463
+ fe_3_eq_c1ccncc1_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_6
1464
+ co_2_eq_c1ccncc1_ax1_[I-]_ax2_[OH-]_ahf_20_4
1465
+ mn_2_eq_N#C[O-]_ax1_[C-]#[O+]_ax2_[F-]_ahf_20_6
1466
+ cr_3_eq_N_ax1_[SH2]_ax2_[SH2]_ahf_20_2
1467
+ mn_2_eq_[S--]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_2
1468
+ co_2_eq_C=O_ax1_N#CC_ax2_[PH3]_ahf_20_4
1469
+ cr_3_eq_[PH3]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
1470
+ co_3_eq_N_ax1_[OH-]_ax2_[OH2]_ahf_20_5
1471
+ cr_2_eq_[PH3]_ax1_N#CC_ax2_N#CC_ahf_20_5
1472
+ fe_3_eq_c1ccncc1_ax1_N#CC_ax2_N#CC_ahf_20_6
1473
+ co_2_eq_[PH3]_ax1_[I-]_ax2_[C-]#[O+]_ahf_20_4
1474
+ co_2_eq_C=O_ax1_[O-][O-]_ax2_[S--]_ahf_20_2
1475
+ mn_2_eq_[PH3]_ax1_N#CC_ax2_N#CC_ahf_20_6
1476
+ cr_3_eq_N#C[O-]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_4
1477
+ cr_3_eq_[O-][O-]_ax1_N#CC_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_4
1478
+ fe_2_eq_[C-]#[O+]_ax1_[I-]_ax2_[F-]_ahf_20_5
1479
+ cr_3_eq_N#CC_ax1_[SH2]_ax2_[SH2]_ahf_20_4
1480
+ co_3_eq_[SH2]_ax1_[OH2]_ax2_[OH2]_ahf_20_5
1481
+ cr_2_eq_[I-]_ax1_N_ax2_N_ahf_20_5
1482
+ co_2_eq_[C-]#[O+]_ax1_[OH-]_ax2_N#[C-]_ahf_20_2
1483
+ mn_2_eq_[O-][O-]_ax1_N#CC_ax2_C=O_ahf_20_6
1484
+ fe_3_eq_[I-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_2
1485
+ co_2_eq_[F-]_ax1_[SH2]_ax2_[SH2]_ahf_20_2
1486
+ mn_3_eq_[OH2]_ax1_N#C[O-]_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_5
1487
+ cr_2_eq_N#CC_ax1_N#[C-]_ax2_N#[C-]_ahf_20_5
1488
+ cr_2_eq_C=O_ax1_[F-]_ax2_[F-]_ahf_20_5
1489
+ cr_3_eq_N#[C-]_ax1_[PH3]_ax2_[PH3]_ahf_20_2
1490
+ cr_3_eq_[F-]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_2
1491
+ fe_3_eq_N#C[O-]_ax1_c1ccncc1_ax2_[F-]_ahf_20_6
1492
+ cr_3_eq_[OH-]_ax1_[PH3]_ax2_[PH3]_ahf_20_2
1493
+ co_2_eq_c1ccncc1_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
1494
+ cr_3_eq_[S--]_ax1_C=O_ax2_C=O_ahf_20_2
1495
+ co_3_eq_C=O_ax1_[OH2]_ax2_[OH2]_ahf_20_5
1496
+ cr_2_eq_[OH2]_ax1_[S--]_ax2_[F-]_ahf_20_5
1497
+ fe_3_eq_[PH3]_ax1_[OH2]_ax2_[OH2]_ahf_20_2
1498
+ fe_3_eq_c1ccncc1_ax1_[O-][O-]_ax2_[C-]#[O+]_ahf_20_6
1499
+ cr_2_eq_[OH2]_ax1_N_ax2_[SH2]_ahf_20_5
1500
+ cr_2_eq_[OH2]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_5
1501
+ mn_2_eq_N#CC_ax1_[SH2]_ax2_[SH2]_ahf_20_2
1502
+ cr_2_eq_[OH2]_ax1_[C-]#[O+]_ax2_[PH3]_ahf_20_5
1503
+ fe_2_eq_N#[C-]_ax1_[OH-]_ax2_[OH2]_ahf_20_5
1504
+ mn_2_eq_[OH2]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_[PH3]_ahf_20_6
1505
+ co_2_eq_[OH-]_ax1_[OH-]_ax2_N#CC_ahf_20_2
1506
+ cr_3_eq_[OH-]_ax1_[OH2]_ax2_[OH2]_ahf_20_2
1507
+ fe_3_eq_[S--]_ax1_c1ccncc1_ax2_[F-]_ahf_20_2
1508
+ mn_2_eq_[SH2]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_6
1509
+ mn_2_eq_N#C[O-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_6
1510
+ cr_3_eq_C=O_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_2
1511
+ fe_3_eq_c1ccncc1_ax1_N_ax2_N_ahf_20_6
1512
+ cr_3_eq_N_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_4
1513
+ mn_2_eq_C=O_ax1_[OH2]_ax2_[SH2]_ahf_20_6
1514
+ co_3_eq_N#[C-]_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_[PH3]_ahf_20_5
1515
+ cr_3_eq_N#[C-]_ax1_C=O_ax2_[PH3]_ahf_20_4
1516
+ fe_2_eq_[OH-]_ax1_N#CC_ax2_N#CC_ahf_20_5
1517
+ co_3_eq_[O-][O-]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_5
1518
+ mn_2_eq_N#C[O-]_ax1_N_ax2_[PH3]_ahf_20_6
1519
+ mn_2_eq_c1ccncc1_ax1_[O-][O-]_ax2_N_ahf_20_2
1520
+ cr_2_eq_N#C[O-]_ax1_N#CC_ax2_N#CC_ahf_20_5
1521
+ fe_3_eq_[S--]_ax1_[F-]_ax2_[PH3]_ahf_20_2
1522
+ cr_2_eq_[OH2]_ax1_[O-][O-]_ax2_C=O_ahf_20_5
1523
+ fe_3_eq_[SH2]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_2
1524
+ fe_3_eq_N#[C-]_ax1_[F-]_ax2_[F-]_ahf_20_2
1525
+ fe_2_eq_[O-][O-]_ax1_N#CC_ax2_C=O_ahf_20_5
1526
+ mn_2_eq_[PH3]_ax1_[PH3]_ax2_[PH3]_ahf_20_2
1527
+ fe_2_eq_[I-]_ax1_N#CC_ax2_N#CC_ahf_20_5
1528
+ co_3_eq_[F-]_ax1_[OH-]_ax2_N_ahf_20_5
1529
+ fe_2_eq_[SH2]_ax1_N_ax2_N_ahf_20_5
1530
+ cr_3_eq_[PH3]_ax1_[PH3]_ax2_[PH3]_ahf_20_4
1531
+ co_3_eq_[OH-]_ax1_N#C[O-]_ax2_[OH-]_ahf_20_5
1532
+ mn_2_eq_[SH2]_ax1_N#[C-]_ax2_C=O_ahf_20_2
1533
+ fe_3_eq_c1ccncc1_ax1_N_ax2_N_ahf_20_2
1534
+ cr_3_eq_N#CC_ax1_N#CC_ax2_[SH2]_ahf_20_2
1535
+ fe_2_eq_C=O_ax1_N_ax2_N_ahf_20_5
1536
+ mn_2_eq_C=O_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_2
1537
+ fe_3_eq_[PH3]_ax1_N#C[O-]_ax2_[F-]_ahf_20_6
1538
+ cr_3_eq_[S--]_ax1_N#CC_ax2_N#CC_ahf_20_2
1539
+ cr_2_eq_[C-]#[O+]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_5
1540
+ mn_2_eq_[SH2]_ax1_[PH3]_ax2_[PH3]_ahf_20_2
1541
+ cr_2_eq_[PH3]_ax1_N_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_5
1542
+ co_2_eq_N#C[O-]_ax1_N_ax2_N_ahf_20_4
1543
+ fe_2_eq_[OH-]_ax1_c1ccncc1_ax2_[PH3]_ahf_20_5
1544
+ cr_2_eq_N#[C-]_ax1_N#CC_ax2_N_ahf_20_5
1545
+ cr_2_eq_[F-]_ax1_[OH-]_ax2_N#CC_ahf_20_5
1546
+ cr_3_eq_[F-]_ax1_[OH-]_ax2_[OH-]_ahf_20_2
1547
+ fe_3_eq_[PH3]_ax1_[I-]_ax2_N_ahf_20_2
1548
+ co_2_eq_[PH3]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_2
1549
+ co_2_eq_C=O_ax1_[PH3]_ax2_[PH3]_ahf_20_4
1550
+ mn_2_eq_[PH3]_ax1_[OH2]_ax2_[OH2]_ahf_20_6
1551
+ fe_2_eq_N#C[O-]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
1552
+ fe_2_eq_N#CC_ax1_[I-]_ax2_N#[C-]_ahf_20_5
1553
+ mn_2_eq_N#CC_ax1_[I-]_ax2_[I-]_ahf_20_6
1554
+ cr_3_eq_[PH3]_ax1_[F-]_ax2_[PH3]_ahf_20_4
1555
+ cr_3_eq_[F-]_ax1_[OH-]_ax2_N#CC_ahf_20_4
1556
+ co_3_eq_C=O_ax1_N#[C-]_ax2_N#[C-]_ahf_20_5
1557
+ fe_3_eq_[O-][O-]_ax1_[OH2]_ax2_N#CC_ahf_20_6
1558
+ fe_3_eq_[S--]_ax1_N#CC_ax2_[S--]_ahf_20_2
1559
+ cr_2_eq_[SH2]_ax1_[PH3]_ax2_[PH3]_ahf_20_5
1560
+ co_2_eq_C=O_ax1_C=O_ax2_C=O_ahf_20_4
1561
+ co_2_eq_[SH2]_ax1_[I-]_ax2_N_ahf_20_4
1562
+ mn_2_eq_[OH-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_2
1563
+ co_3_eq_N#CC_ax1_N#CC_ax2_N#CC_ahf_20_5
1564
+ co_2_eq_N_ax1_N#CC_ax2_N#CC_ahf_20_4
1565
+ fe_3_eq_N_ax1_[PH3]_ax2_[PH3]_ahf_20_2
1566
+ co_2_eq_C=O_ax1_N#CC_ax2_N#CC_ahf_20_2
1567
+ cr_2_eq_[PH3]_ax1_C=O_ax2_C=O_ahf_20_5
1568
+ cr_3_eq_[PH3]_ax1_[F-]_ax2_[PH3]_ahf_20_2
1569
+ fe_3_eq_[OH-]_ax1_[C-]#[O+]_ax2_[C-]#[O+]_ahf_20_6
1570
+ fe_3_eq_[OH-]_ax1_[PH3]_ax2_[SH2]_ahf_20_6
1571
+ fe_2_eq_[PH3]_ax1_C=O_ax2_C=O_ahf_20_5
1572
+ fe_3_eq_[OH2]_ax1_N#C[O-]_ax2_N#C[O-]_ahf_20_2
1573
+ cr_2_eq_[SH2]_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_5
1574
+ mn_2_eq_[C-]#[O+]_ax1_[PH3]_ax2_[PH3]_ahf_20_2
1575
+ co_2_eq_[C-]#[O+]_ax1_[O-][O-]_ax2_[C-]#[O+]_ahf_20_2
1576
+ co_2_eq_[I-]_ax1_[PH3]_ax2_[PH3]_ahf_20_4
1577
+ fe_3_eq_[SH2]_ax1_[OH-]_ax2_N#[C-]_ahf_20_6
1578
+ fe_2_eq_[C-]#[O+]_ax1_[I-]_ax2_N#C[O-]_ahf_20_5
1579
+ mn_2_eq_c1ccncc1_ax1_[PH3]_ax2_[PH3]_ahf_20_2
1580
+ mn_2_eq_N_ax1_c1ccncc1_ax2_c1ccncc1_ahf_20_6
1581
+ fe_3_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_[I-]_ax2_[SH2]_ahf_20_2
1582
+ cr_3_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_[OH2]_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_2
1583
+ cr_3_eq_[OH2]_ax1_[O-][O-]_ax2_[O-][O-]_ahf_20_4
1584
+ cr_3_eq_[PH3]_ax1_[PH3]_ax2_[PH3]_ahf_20_2
1585
+ cr_3_eq_N#C[O-]_ax1_[OH2]_ax2_[OH2]_ahf_20_2
1586
+ cr_3_eq_[PH3]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_2
1587
+ cr_3_eq_[PH3]_ax1_N#CC_ax2_N#CC_ahf_20_2
1588
+ cr_3_eq_N_ax1_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax2_c3c(P(c1ccccc1)c2ccccc2)cccc3_ahf_20_4
1589
+ cr_3_eq_[O-][O-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_2
1590
+ cr_2_eq_c3c(P(c1ccccc1)c2ccccc2)cccc3_ax1_N_ax2_N_ahf_20_5
1591
+ co_2_eq_[O-][O-]_ax1_N#[C-]_ax2_N#[C-]_ahf_20_2