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{ "date": "2026-01-28T04:03:36.374Z", "molecules": 24210, "errors": 31, "nogood": 24, "notfound": 2304, "dup": 530 }
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+35
-13
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4 files changed

+35
-13
lines changed

public/data.json

Lines changed: 13 additions & 6 deletions
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public/idcode.txt

Lines changed: 10 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -6883,7 +6883,7 @@ dg^@pCBPRPrPrJPqIPjCMT@ET@@ Norfenfluramine
68836883
fhyP@@@VRe]VYWISUoAjjjP`J@@@ Indalpine
68846884
fns``@K@]dbbRTVbRbRRoEVcUmAAQUAT@PbbE@@ Femoxetine
68856885
fnkpb@ARJihHcHhdihdhdddlZ\tzI\u`BFjhhH``@@ 7-Hydroxyamoxapine
6886-
emWRF@@DMBhPEmlRQ\bbTRRLRbVRbRbbRNTTRaRHhl\zFiYZVjZfZijfjZfjZidDXrlIKq^P Phycocyanobilin
6886+
emWRF@@DMBhPEmlRQ\bbTRRLRbVRbRbbRNTTRaRHhl\zFiyZfZffZijfjZffZihNTPp~KsS@ Phycocyanobilin
68876887
eeSRCFBMOAihDLCKGHT\ZV^P@bPH^BBP`WPetGNqxVYYrRRqIQJQIjIKJIIJIRZr@BJ^AUMK[_@kPADmT@DuA@mKB@@@@ Bisdisulizole disodium
68886888
do~L@CB]RfyV~^F`HJj`@@ Methoxamine
68896889
fco@r@CQ[t\pQFQQQIYQQIJKSIKEgOYRV@`hJBhjjhJdeYAbTU@@ Dapagliflozin
@@ -13554,7 +13554,7 @@ dknH@FAIfYVyNhJB`RId@ N-Methylpseudoephedrine
1355413554
foAq@@DR\AIefUWUXsfh@@@@@@ 4-Pyridylnicotinamide
1355513555
fic@B@@^BUJjjjjjjuUUUUUUU@@@ Trioctylphosphine
1355613556
fha@cPDX@DPdJRCI@TaJPuHFdGRGi@LaddedLadLdmUUUT@@ Perfluorobutanesulfonyl fluoride
13557-
fhiq@@AJ|AJYYU_V`mVjhJBJhQAT`@ PF-592,379
13557+
fhiq@@AJ|AJYYU_V`mVjhJBJhQAT`@ PF-592379
1355813558
fgAP@@@\rQIPqQIDihvk@AUUQP@@ RJR-2429
1355913559
foA`a@NRTBH]DYEEDhid\pQkPD@pD@@@ Quinclorac
1356013560
dklF@@ZUttfUgfifejYh@@ Chelidonic acid
@@ -23969,7 +23969,7 @@ foA``@K@TeLkvkXipUA@UUP@@ DOH-5-hemiFLY
2396923969
gJAeUbGjOPvZfsE`@@ Plutonium(III) oxide
2397023970
foQQ@BBV@CbSdTTRdTqSEZMYtDEQTe@@@ Dehydrobufotenine
2397123971
dil@`@kDff_JIbyaxZjjjh@@ Iodocubane
23972-
dcmB@LHNG\dTTJaVUttuUUP@@ Ribose aminooxazoline
23972+
dcmB@LHNG\dTTJaVUttuUUQIJcJT@ Ribose aminooxazoline
2397323973
foAQ@@NFAdTTRbcRSA\e@QCUQ@@@ 4-HO-NET
2397423974
f`qQ@@NFAdTTRbcRRXKdhBHZjb@@ 4-HO-NPT
2397523975
do~D`GJPqDfYUuUa``bjh@@ 2CB-2-EtO
@@ -24184,6 +24184,7 @@ fif@V`lDhpTeZl{pXirVk^cAaPpdAG@`pPCX[Sf\km]{`}`Fd`\dCd`@@@BtmKP@@ Holmium(III) s
2418424184
fmoaC@AP@DDBBaBU\kKjvwJkrS`}VN[TuTDQAHT@H@@ SW033291
2418524185
gNpP@btf{ZY@@ 2,3-Dioxopropanoic acid
2418624186
e`ZVDD@NKHemciO`IABPrJSIYSQIIJJFYJYIL\N^IYIUS[GWUUTp@UUMKULUR@TRP@ HW201877
24187+
ehp@HPhphdlbjfnaiemckgo`XT\RZV^QYU]S[W_PpORCtP}LOPcth}FESaTDUIEQQTtUCERqT\UOEPBXIPgBRIhea~GD^QuGt\q{G\_qpfbYIlfJZiffzXYifV[YcfnYyofAZEdVqXejVY[eaVeYUmVMZugV}XM`@@@ Silver decamolybdate
2418724188
fa{q@@DVBCHhhhddmBlhdiHvg^CUkUAPTM@AQ@@@ ML148
2418824189
fciC@AZST\@AA@`hPeWJrzmmsJoINBt\umSUPQELuU@l@P@ SW209415
2418924190
dcNB@AAIUInYYGV``X@@ Cinchomeronic acid
@@ -24201,3 +24202,9 @@ gB@BQfSHVQl`UITzP@@ Potassium antimonide
2420124202
fly`R@AXlxH@cIEEhhdeEh]^ihJBXZHTP@ SXC-2023
2420224203
fn}@P@@DeiIf[U}UUU`fiZijjjj@@ Rapanone
2420324204
ffs`P@L`QRrSKL{nrllyhr\ejuRDAUUUEHcDh@ Pudafensine
24205+
dcvL`L[a@HrIQJJXuTsUBH@ N-Acetylcysteine ethyl ester
24206+
gB@BQfS@VAl@UITzP@@ Lithium antimonide
24207+
ee]YN@@BMDbmckbYPDIOIh^\bfbbTlRTVbTRTLtJTVbtW@cWSUUMUMUUKUUMUUTqaEHEEhcJT@@ Orenetide
24208+
ek`ZLD@CGO@fbAm`HbRPrJJIIJGJISQIIYY`SPpIKjZBBJjZhHHjI@@@ Cligosiban
24209+
fa{@c@@]u@F`KPFQQISQJQQiSQJcENbdkVfjjjjjjjfLddzAbTU@Xqi@L`VP@ Deuterated testosterone
24210+
fmg`R@EF[vXHcHhdlddiiDdXhbjLbf@Bjfjjijbae@@ UK-447841

public/smiles.txt

Lines changed: 10 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -6883,7 +6883,7 @@ Norfenfluramine FC(F)(F)c1cccc(c1)CC(N)C
68836883
Indalpine c2(c1ccccc1[nH]c2)CCC3CCNCC3
68846884
Femoxetine O(c1ccc(OC)cc1)C[C@@H]3[C@@H](c2ccccc2)CCN(C)C3
68856885
7-Hydroxyamoxapine C1CN(CCN1)C2=NC3=C(C=C(C=C3)O)OC4=C2C=C(C=C4)Cl
6886-
Phycocyanobilin CC[C@@H]\1[C@H](C(=O)N/C1=C\C2=C(C(=C(N2)/C=C\3/C(=C(/C(=C\C4=NC(=O)C(=C4C)CC)/N3)C)CCC(=O)O)CCC(=O)O)C)C
6886+
Phycocyanobilin C/C=C1C(=C/c2[nH]c(/C=C3\N=C(/C=C4\NC(=O)C(CC)=C4C)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)/NC(=O)[C@@H]/1C
68876887
Bisdisulizole disodium C1=CC(=CC=C1C2=NC3=C(C=C(C=C3N2)S(=O)(=O)O)S(=O)(=O)[O-])C4=NC5=C(C=C(C=C5N4)S(=O)(=O)O)S(=O)(=O)[O-].[Na+].[Na+]
68886888
Methoxamine O(c1ccc(OC)cc1C(O)C(N)C)C
68896889
Dapagliflozin CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1
@@ -13554,7 +13554,7 @@ N-Methylpseudoephedrine O[C@@H](c1ccccc1)[C@@H](N(C)C)C
1355413554
4-Pyridylnicotinamide O=C(Nc1ccncc1)c2cccnc2
1355513555
Trioctylphosphine CCCCCCCCP(CCCCCCCC)CCCCCCCC
1355613556
Perfluorobutanesulfonyl fluoride C(C(C(F)(F)S(=O)(=O)F)(F)F)(C(F)(F)F)(F)F
13557-
PF-592,379 CCCN([C@@H](C)CO1)C[C@H]1C2=CN=C(N)C=C2
13557+
PF-592379 CCCN([C@@H](C)CO1)C[C@H]1C2=CN=C(N)C=C2
1355813558
RJR-2429 C1(C2N(CC3)CCC3C2)=CN=CC=C1
1355913559
Quinclorac O=C(O)c1c(Cl)ccc2cc(Cl)cnc12
1356013560
Chelidonic acid O=C\1/C=C(\O/C(C(=O)O)=C/1)C(=O)O
@@ -23969,7 +23969,7 @@ DOH-5-hemiFLY CC(CC1=C(C=CC2=C1CCO2)OC)N
2396923969
Plutonium(III) oxide [O-2].[O-2].[O-2].[Pu+3].[Pu+3]
2397023970
Dehydrobufotenine C[N+]1(CCC2=CNC3=C2C1=C(C=C3)[O-])C
2397123971
Iodocubane C12C3C4C1C5C2C3C45I
23972-
Ribose aminooxazoline C(C1C(C2C(O1)N=C(O2)N)O)O
23972+
Ribose aminooxazoline C([C@@H]1[C@H]([C@@H]2[C@H](O1)N=C(O2)N)O)O
2397323973
4-HO-NET CCNCCC1=CNC2=C1C(=CC=C2)O
2397423974
4-HO-NPT CCCNCCC1=CNC2=C1C(=CC=C2)O
2397523975
2CB-2-EtO CCOC1=CC(=C(C=C1CCN)OC)Br
@@ -24184,6 +24184,7 @@ Holmium(III) sulfate O.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)
2418424184
SW033291 CCCCS(=O)C1=C(C2=C(C=C(C=C2S1)C3=CC=CS3)C4=CC=CC=C4)N
2418524185
2,3-Dioxopropanoic acid O=CC(=O)C(=O)O
2418624186
HW201877 O=C1N2C=CC(=CC2=NN1C)N1C[C@H]2C[C@H]2c2cc(cnc12)C(=O)N1CCC(F)(F)CC1
24187+
Silver decamolybdate [Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Mo+6].[Mo+6].[Mo+6].[Mo+6].[Mo+6].[Mo+6].[Mo+6].[Mo+6].[Mo+6].[Mo+6].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
2418724188
ML148 CC1=CC(=CC=C1)N2C=NC3=C2C=CC(=C3)C(=O)N4CCCCC4
2418824189
SW209415 Cn1c(cnc1C)c1cc(nc2sc([S@](=O)CCCC)c(N)c21)c1sccn1
2418924190
Cinchomeronic acid O=C(O)C=1C=NC=CC1C(=O)O
@@ -24201,3 +24202,9 @@ Potassium antimonide [K+].[K+].[K+].[Sb-3]
2420124202
SXC-2023 CC1=CC=C(C=C1)C(=O)SC[C@@H](C(=O)O)NC(=O)C
2420224203
Rapanone CCCCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O
2420324204
Pudafensine COC1=CC2=C(C=C(C=C2)OC3C[C@H]4CC[C@@H](C3)N4)OC1=O
24205+
N-Acetylcysteine ethyl ester CCOC(=O)[C@H](CS)NC(=O)C
24206+
Lithium antimonide [Li+].[Li+].[Li+].[Sb-3]
24207+
Orenetide C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC[C@H]2C(=O)O)N)O
24208+
Cligosiban COCC1=NN=C(N1C2=CN=C(C=C2)OC)N3CC(C3)OC4=C(C=C(C=C4)F)Cl
24209+
Deuterated testosterone [2H]C([2H])([2H])[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C
24210+
UK-447841 COCC[C@H](CC1(CCCC1)C(=O)NCCCC2=CC=C(C=C2)Cl)C(=O)O

stats.json

Lines changed: 2 additions & 1 deletion
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@@ -3952,5 +3952,6 @@
39523952
{"date":"2026-01-24T03:57:16.510Z","molecules":24186,"errors":31,"nogood":24,"notfound":2290,"dup":530},
39533953
{"date":"2026-01-25T04:09:51.117Z","molecules":24188,"errors":31,"nogood":24,"notfound":2293,"dup":530},
39543954
{"date":"2026-01-26T04:11:35.404Z","molecules":24198,"errors":31,"nogood":24,"notfound":2296,"dup":530},
3955-
{"date":"2026-01-27T04:04:51.902Z","molecules":24203,"errors":31,"nogood":24,"notfound":2298,"dup":530}
3955+
{"date":"2026-01-27T04:04:51.902Z","molecules":24203,"errors":31,"nogood":24,"notfound":2298,"dup":530},
3956+
{"date":"2026-01-28T04:03:36.374Z","molecules":24210,"errors":31,"nogood":24,"notfound":2304,"dup":530}
39563957
]

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