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{
  "date": "2024-11-18T03:44:08.306Z",
  "molecules": 21911,
  "errors": 17,
  "nogood": 12,
  "notfound": 2417,
  "dup": 540
}
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@cheminfo-bot
cheminfo-bot committed Nov 18, 2024
1 parent 5e2f0af commit 638f830
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Showing 4 changed files with 26 additions and 7 deletions.
14 changes: 10 additions & 4 deletions public/data.json
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8 changes: 7 additions & 1 deletion public/idcode.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -8059,6 +8059,7 @@ gGQ@@dtuT@@ Tert-Amyl alcohol
efuvDDBCLjohTtGPHbBH@zCcISg@MEDdediEKEDdeleEDdeUDeddeIIitMLmbSRsSr[[PPQUSTtrmMLtp@UUTUL@DNPsLdh XF-73
ek`XBL@AJfmc`HcpHVdLbbRrTTTTRTTbmThXLlbFRr`@j`ZBiXibJAq@@ Laropiprant
ffs``@H`YdTTTTTLQbJrxkUg^bfBH@bBjhb@@ Propylnorapomorphine
dkM@iJXIBJAICI@iBNj\bdEfbRtzk`@@@ Benzenediazonium tetrafluoroborate
gGPFAHR`Taj@rEdDfzj`@ Diboron tetrafluoride
gjLf`X@@DAX]^_@FF`px|W@Sjln@yEEEEEiEEmMhXmDhmDhiileeMDdimMDdeEFhBIFfku^_PTKUMUTuUUUUTtuUTmUUSURsUUT@@@ Zotarolimus
gC`hEaDIML@@ Chloroformic acid
Expand Down Expand Up @@ -16887,6 +16888,8 @@ fncab@KDeTDPdsJnnkJzpVRpPQUU@AP@@@ 25C-NB4OMe
fncab@KDdTEXdsJnnkJvpVZpPQUU@DP@@@ 25I-NB3OMe
fika`@O@LWIEMDeDbedhhdnBZN`HJjj```@@@ 25iP-NBOMe
gnIeph@HDEBpLAXePZMNwHZKD@X|HfWh\A`xXOTYrJIQQJJIQQSJZIFEJZJKKUISQKYQJISIJYGSYB^_NPjUjcIkwyjjjffBjjBjajZjjYZjZjiifIjDXHPSBAITTjYevP@ Moroidin
e`rp@d@HDLBAEKGHbjfnf^SP@cpHrRPzJJIQISJQYQqHrIQZJQVXzVO@trznvnkUUUUSRuUUUUSUUSUUeBXgBdfbret^WtAfLEcl@@ Atractyloside
edrp@bBLBJFECO@lfnaiaYWPLbCHPBH``BXIXx[l@tdNbbbTRTrdVT\RLbTVbdUfMg`JONmh_hZuUUUTtmUUUUTuUTuUYpaIHmIXji}@UCDYSEXG@@ Atractyloside
e`X\ID@MDcbEO@aiego`HcbHrJJKQFYQQFIJZJVZLBEUPPQMTuUTuTqTFJIESj[P@ Kaitocephalin
eMIH~GxRZ@ Gallium(I) oxide
gJR@aDQJyJ][@@ Cyanogen azide
Expand Down Expand Up @@ -17240,6 +17243,7 @@ dg~@@@RYfUWd}mh@@@@@@ Benzophenone imine
deT@H@qBqAqIqDfYu[hHB`@@ 1,2,4,5-Tetrabromobenzene
fe{qaBIZSAF@AD}CGSgIIKDeMeDedhd`IPX}Fm@DL@E@@@@@ Metanil Yellow
dmtL@@QTfyeQehBA@@ 2-Carboxybenzaldehyde
foAQ@BHH@ChRdrsJkjlYtt@@@@@@ Azoxybenzene
ekh\H@@DIA`LbbTTRRTRvfRRatTlLBRJZfzFZjjjjhHFJjbppbdl`@ Amesergide
gGP@Dkij`@ Neohexene
gNTMlpNPHHPEgGdEMnp@ Barium thiocyanate
Expand Down Expand Up @@ -19508,6 +19512,7 @@ gGQHLLQI[ih@ Bromomethyl ethyl ketone
fhfHZEdLTzFBTxJVcV|D@d@tScb\r^\KeSkc\z_\GlBTATATATZZZZ@@ Hafnium nitrate
eodZLL@MHjfebKG`HaBPpdLbdJbRrTtRRRbbRQdTRrVvNnjh@JX@JfjjAhCh@@ Asciminib
fns@`@@RrJJIKJSQSRHqgOIKV@`jjjjfJHJJfeZ@@ Avarol
fdlPX`ZRHs`eZMYw`qAfPsDYfLpFpuFxvdl{gReWZxwVys^XKQ[@@JhBh@@@tt@@ Antimony(III) oxide hydroxide nitrate
fjsa`@L`x[IEEEDhidhobTdzp_QSf`jBjJjhZhbTcDiQP@ (+)-Morphine
gJYheLQbJSrRuL@@ Bromine nitrate
gGPTHlQHVPRUZj@@ Tetraoxygen difluoride
Expand Down Expand Up @@ -21901,5 +21906,6 @@ ff}qB@MV|PDPdsJ~kZrkAEkAAESU@@@@@ BW-501C67
dknD@MBdin]vxZB@j`@@ 4-Hydroxy-3-methoxyamphetamine
dcm@@@UJfU]IivhFBH@@ Isotryptamine
dgoEaj[hSBFUt{CZjVgigmz~RjuYfZjfY`@ Protactinyl nitrate
fhi@Q@DJuxFIKDrJIRIPsESQoAjjjjjj@@ Dibromo neopentyl glycol diglycidyl ether
fhi@Q@NBmxFHsDRVe]Ufl{pZjjjjj`@@ Dibromo neopentyl glycol diglycidyl ether
fhaAp@@ZMYw`iRmMJjuUUUUP@@ Dipentaerythritol
fhy``@N@PdrsKsoSbk^Bu@p@@P@@@ Bentranil
8 changes: 7 additions & 1 deletion public/smiles.txt
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Expand Up @@ -8059,6 +8059,7 @@ Tert-Amyl alcohol CCC(C)(C)O
XF-73 C[N+](C)(C)CCCOC(C=C1)=CC=C1/C(C2=CC=C(/C=C3C=CC(/C(C4=CC=C(OCCC[N+](C)(C)C)C=C4)=C(N/5)/C=CC5=C\6)=N/3)N2)=C7N=C6C=C/7.[Cl-].[Cl-]
Laropiprant CS(=O)(=O)C1=CC(=CC2=C1N(C3=C2CC[C@@H]3CC(=O)O)CC4=CC=C(C=C4)Cl)F
Propylnorapomorphine CCCN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O
Benzenediazonium tetrafluoroborate [B-](F)(F)(F)F.C1=CC=C(C=C1)[N+]#N
Diboron tetrafluoride FB(F)B(F)F
Zotarolimus CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)n5cnnn5)C)C)O)OC)C)C)C)OC
Chloroformic acid ClC(=O)O
Expand Down Expand Up @@ -16887,6 +16888,8 @@ Anagyrine C1CCN2CC3CC(C2C1)CN4C3=CC=CC4=O
25I-NB3OMe COC1=CC=CC(=C1)CNCCC2=CC(=C(C=C2OC)I)OC
25iP-NBOMe CC(C)C1=C(C=C(C(=C1)OC)CCNCC2=CC=CC=C2OC)OC
Moroidin CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H]2Cc3c4ccc(cc4[nH]c3-n5cc(nc5)C[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)CCCNC(=[NH2+])N)C(=O)[O-])[C@H]([C@@H](C(=O)N1)NC(=O)[C@@H]6CCC(=O)N6)C(C)C)C(C)C
Atractyloside CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2C[C@H]([C@H]3CC[C@@]45C[C@@H](CC[C@H]4[C@@]3(C2)C)C(=C)[C@@H]5O)C(=O)O)CO)OS(=O)(=O)O)OS(=O)(=O)O
Atractyloside C=C1[C@@H]2CC[C@H]3[C@]4(C)C[C@H](O[C@@H]5O[C@H](CO)[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]5OC(=O)CC(C)C)C[C@@H](C(=O)O)[C@H]4CC[C@]3(C2)[C@H]1O.[K+].[K+]
Kaitocephalin O=C(O)[C@H](N)[C@H](O)[C@]2(C(=O)O)N[C@@H](C[C@H](NC(=O)c1cc(Cl)c(O)c(Cl)c1)C(=O)O)CC2
Gallium(I) oxide O([Ga])[Ga]
Cyanogen azide C(#N)N=[N+]=[N-]
Expand Down Expand Up @@ -17240,6 +17243,7 @@ Benzophenone imine C1=CC=C(C=C1)C(=N)C2=CC=CC=C2
1,2,4,5-Tetrabromobenzene C1=C(C(=CC(=C1Br)Br)Br)Br
Metanil Yellow C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]
2-Carboxybenzaldehyde C1=CC=C(C(=C1)C=O)C(=O)O
Azoxybenzene C1=CC=C(C=C1)N=[N+](C2=CC=CC=C2)[O-]
Amesergide CC(C)N1C=C2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)NC4CCCCC4)C5=C2C1=CC=C5
Neohexene CC(C)(C)C=C
Barium thiocyanate C(#N)[S-].C(#N)[S-].[Ba+2]
Expand Down Expand Up @@ -19508,6 +19512,7 @@ Bromomethyl ethyl ketone CCC(=O)CBr
Hafnium nitrate [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Hf+4]
Asciminib O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
Avarol C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=C(C=CC(=C3)O)O)CCC=C2C)C
Antimony(III) oxide hydroxide nitrate [Sb+3].[Sb+3].[Sb+3].[Sb+3].[O-2].[O-2].[O-2].[O-2].[OH-].[OH-].O=[N+]([O-])[O-].O=[N+]([O-])[O-]
(+)-Morphine CN1CC[C@@]23[C@H]4[C@@H]1CC5=C2C(=C(C=C5)O)O[C@@H]3[C@@H](C=C4)O
Bromine nitrate [N+](=O)([O-])OBr
Tetraoxygen difluoride FOOOOF
Expand Down Expand Up @@ -21901,5 +21906,6 @@ BW-501C67 C1=CC=C(C=C1)NCC(=NCCCOC2=CC=CC=C2Cl)N
4-Hydroxy-3-methoxyamphetamine CC(CC1=CC(=C(C=C1)O)OC)N
Isotryptamine C1=CC=C2C(=C1)C=CN2CCN
Protactinyl nitrate [Pa](O[N+]([O-])=O)(O[N+]([O-])=O)(O[N+]([O-])=O)=O
Dibromo neopentyl glycol diglycidyl ether CC(C)(C(OCC1CO1)Br)C(OCC2CO2)Br
Dibromo neopentyl glycol diglycidyl ether BrCC(COCC1CO1)(COCC2CO2)CBr
Dipentaerythritol C(C(CO)(CO)COCC(CO)(CO)CO)O
Bentranil C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2
3 changes: 2 additions & 1 deletion stats.json
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Expand Up @@ -3544,5 +3544,6 @@
{"date":"2024-11-14T03:40:29.976Z","molecules":21885,"errors":17,"nogood":12,"notfound":2426,"dup":540},
{"date":"2024-11-15T03:43:45.564Z","molecules":21901,"errors":17,"nogood":12,"notfound":2422,"dup":540},
{"date":"2024-11-16T03:42:44.918Z","molecules":21906,"errors":17,"nogood":12,"notfound":2420,"dup":540},
{"date":"2024-11-17T03:44:20.636Z","molecules":21905,"errors":17,"nogood":12,"notfound":2419,"dup":540}
{"date":"2024-11-17T03:44:20.636Z","molecules":21905,"errors":17,"nogood":12,"notfound":2419,"dup":540},
{"date":"2024-11-18T03:44:08.306Z","molecules":21911,"errors":17,"nogood":12,"notfound":2417,"dup":540}
]

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