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{ "date": "2025-11-11T03:59:00.313Z", "molecules": 23811, "errors": 38, "nogood": 27, "notfound": 2261, "dup": 534 }
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-9
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4 files changed

+25
-9
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public/data.json

Lines changed: 10 additions & 5 deletions
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public/idcode.txt

Lines changed: 6 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -2293,6 +2293,7 @@ fmoh`@DQSdhMYEDeLedddheCDeQdeYKM[U@AUTuUUPp@@ Cilostazol
22932293
deWDAHHPRISdfyeXVijd@@ Dimetridazole
22942294
ffcq`@LLxAGdfWeU]nUEHubuZij@I`@@@@ Mebendazole
22952295
fleHPALTDXBE^EJnMOnRY]Yge\uhiZi``B@@DJP Carbadox
2296+
ee[ZG@@AHalYPLEMGOBfekg`^Q\dTTRbRfLTrafRfrVbTTrUDbUTvqMMUUUUUUUUUUUUUUVTBPaBhWDdQbl`TrUTzTtvgtaRJIUJ@@ Paromomycin
22962297
eoXzDh@KFkaWXDLBJAO@lbimod\ZS[P@cII@xhheDeLXieCLeMdmDhideGNeg`YUUjjjjjjjjjjjjjjjkIa\RQJHrNJIIRjCIZGIz@pfLkeRiU@@ Paromomycin
22972298
eDAPHc@ZT@@ Magnesium sulfide
22982299
egTxA@@@PDELbjaf\bbTTRdRTtRdRqrrbRTRTRMagceRVVwrOKUUMUTuUUTtluUUUUJXHaLHrVQq^IY_IFTAQu}@rL@ Moxidectin
@@ -6320,6 +6321,8 @@ fhqa`@@`XKIEDhhde\iFhJHxj`@@ Propynyl (drug)
63206321
dg^D@KAldTRbrJPkPTDU@@@ 3-Methoxy-4-ethoxyphenethylamine
63216322
foAa`@K@iIJYWU^qS`jB@jj`@@ MMDA-2
63226323
foAa`@K@hsIEDhliUBTDj`hHjh@@ MMDA-3a
6324+
foAa`@K@hsIEDhldUBTDj`hHjh@@ MMDA-3b
6325+
foA`b@K\L@HRfyeWaRtZ`JBjb@@ 2T-MMDA-3a
63236326
foA`b@KTd@HRfUuWlTxJ``Jjh@@ 4T-MMDA-2
63246327
f`qa`@K@iIJYWU^\TxJ``Jjj@@@ Methyl-MMDA-2
63256328
fhqa`@@`YkIEDhdeD]aFhJBhj`@@ Metaproscaline
@@ -21302,7 +21305,7 @@ gNP\xlPeThYQNW[cuUkGeT@@ Calcium plumbate
2130221305
eghVDH@AOBfmccG@HcHhdlhdhmHTlheDePqdUMl]]@AUSUUT@QIEAq@@ Capivasertib
2130321306
fewhb@I^cTXn`dDfUmeygUmZLsTkQs`@jjijZVbeGEi@@ Repotrectinib
2130421307
fmop`@DQj@^QQQJEKJJIQF[SLxkTTeZuT@DAAUSTECJ@@ Baxdrostat
21305-
gh|}qxPHIG`ilILoRy|al}^^oHtqTnSZ}~`l_NUkKM`HbAH@Nus`RbRfTVRbRbTtVbbRRbrbfRfbRbTRRfbbfTTUZVbbbSTVVbbRdRRRirdSCaHTOOb[\^Pj[IdkCyhr[MW@ASUUSSUUUTuLEUPUMTSTtCUASTduUAUTEIUTTTT@@@ Enlicitide decanoate
21308+
dSxa\Hb@PAAprEcDiGR\oHHrZfYVRJaDIFRlOGpBhgIJja[VCdx@dEZT{lbbRfTVRbRbTtVbbRRbrbfRfbRbTRRfbbfTTUZVbbbSTVVbbRdRRRirdPZfRRRU@pBDa\ODXn[dEIFVee@sMCXuMKP@TuUTtuUUUMSAUTESUDuM@uPTuIMUPUUARUUMUUTTTTJA`fb]BnErITVXfJBRVd@@ Enlicitide decanoate
2130621309
ebuvFD@JemkbWVMCNT|p@bPHrQQZPqQKFIKJKIQJYKIISQQJKKXTVNYEWOPhv~aqtsUKUUUUUR@EUPDPtsPTCJ@@ Navafenterol
2130721310
el^ZDH@EM@jkdn`ICHhheDddeieDdhdthdfICOGHljhTXH@@@HjijjjhB`@@ AZD-1390
2130821311
gjOE@d@@DvD@`DFGCRX|qDcT[LnOWoqGHhdhhbhiiedhmEdhleHedhdeeEEdXhdeCLaRhmV@pVjjjjjfjZijfjijjVjjjjjjfRDEPRaZEXQR]D\TI\dJbj^ivVyOhATE\DctScBQSzZJj@pP Turletricin
@@ -23465,6 +23468,7 @@ eg`RL@DHAML`DMhIP{HihdiddheLdhldUqHiiTLt@PuUAAQUQ@@@ Α'-Methyletonitazene
2346523468
gOp@DiUkzj`@ Cycloheptyne
2346623469
eMbDBDe`@ Thioformamide
2346723470
enSZBB@AHlfo`dd\PJqbPLdHPcHhdhThhihhmhcEBeMiCJNOHbfieg`ZVX@bfjVZjj@HejIb@@@ Luvometinib
23471+
fly```Dl\@HeHJdMRFRJIQJQIMKBmPTETUT@@@ 2C-T-22
2346823472
did@@DiUWazjj@@ Cyclononyne
2346923473
deT@@DiUUF^jjh@@ Cyclodecyne
2347023474
fn{``@D`idbbTVbfbLQVQJBtYw`isPT@DPUUQEAt@@ MDO-NPA
@@ -23804,3 +23808,4 @@ fluQ@@IVAdbfRfTJTRSNRUEM@ASUUQP@@ 5-MeO-pip-T
2380423808
fjcQ@@IVAdbfRfTJTTRSNRTgJRt@EMUUTU@@@ 5-MeO-IsoqT
2380523809
fhy`@@@YIEHdhdljJvc^CUUPU@T@@@ PCPEP
2380623810
gJPBAVJltPYAIjj@@ Chlorofluorodiiodomethane
23811+
dg\@X@dDdLdMdCdKdLbdLRTL`sU@AU@@@ 1,3-Bis(trifluoromethyl)benzene

public/smiles.txt

Lines changed: 7 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -2293,6 +2293,7 @@ Cilostazol O=C4Nc3c(cc(OCCCCc1nnnn1C2CCCCC2)cc3)CC4
22932293
Dimetridazole Cc1ncc([N](=O)=O)n1C
22942294
Mebendazole COC(=O)Nc3nc2ccc(C(=O)c1ccccc1)cc2[nH]3
22952295
Carbadox COC(=O)N\N=C\c2c[n+]([O-])c1ccccc1[n+]2[O-]
2296+
Paromomycin O([C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O[C@H]3O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H](CO)O2)[C@@H](O)[C@H](N)C[C@@H]1N)[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N
22962297
Paromomycin O=S(=O)(O)O.O([C@H]3[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@H]1O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]1N)[C@H]2O)[C@@H](O)[C@H](N)C[C@@H]3N)[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4N)CO
22972298
Magnesium sulfide [Mg+2].[S-2]
22982299
Moxidectin CC(C)\C=C(/C)[C@H]5O[C@@]2(C[C@H]1OC(=O)[C@@H]3/C=C(/C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@H](C)CC(\C)=C\C[C@H](C1)O2)[C@@]34O)C\C(=N\OC)[C@@H]5C
@@ -6320,6 +6321,8 @@ Propynyl (drug) COc1cc(cc(OC)c1OCC#C)CCN
63206321
3-Methoxy-4-ethoxyphenethylamine O(c1ccc(cc1OC)CCN)CC
63216322
MMDA-2 O1c2cc(c(OC)cc2OC1)CC(N)C
63226323
MMDA-3a CC(CC1=C(C2=C(C=C1)OCO2)OC)N
6324+
MMDA-3b CC(CC1=C2C(=C(C=C1)OC)OCO2)N
6325+
2T-MMDA-3a CC(CC1=C(C2=C(C=C1)OCO2)SC)N
63236326
4T-MMDA-2 CC(CC1=CC2=C(C=C1OC)SCO2)N
63246327
Methyl-MMDA-2 CC(Cc1cc2c(cc1OC)OCO2)NC
63256328
Metaproscaline COc1c(cc(cc1OCCC)CCN)OC
@@ -13827,7 +13830,7 @@ Umbellic acid C1=CC(=C(C=C1O)O)C=CC(=O)O
1382713830
5-Hydroxyferulic acid O=C(O)C=Cc1cc(O)c(O)c(OC)c1
1382813831
5-Hydroxyferulic acid O=C(O)\C=C/c1cc(O)c(O)c(OC)c1
1382913832
Bismuth vanadate [O-2].[O-2].[O-2].[O-2].[V].[Bi+3]
13830-
Trametinib Ic1ccc(c(F)c1)N\C3=C\2/C(=O)N(C(=O)N(C/2=C(\C(=O)N3C)C)c4cccc(NC(=O)C)c4)C5CC5
13833+
Trametinib CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5
1383113834
2,3-Dihydroxycinnamic acid c1cc(c(c(c1)O)O)/C=C/C(=O)O
1383213835
3,5-Dihydroxycinnamic acid c1c(cc(cc1O)O)/C=C/C(=O)O
1383313836
2,5-Dihydroxycinnamic acid C1=CC(=C(C=C1O)C=CC(=O)O)O
@@ -21302,7 +21305,7 @@ Calcium plumbate [O-][Pb]([O-])([O-])[O-].[Ca+2].[Ca+2]
2130221305
Capivasertib NC1(CCN(CC1)C1=C2C=CNC2=NC=N1)C(=O)N[C@@H](CCO)C1=CC=C(Cl)C=C1
2130321306
Repotrectinib C[C@H]1CNC(=O)c2cnn3ccc(nc23)N[C@H](C)c2cc(F)ccc2O1
2130421307
Baxdrostat CCC(=O)N[C@@H]1CCCC2=C1C=NC=C2C3=CC4=C(C=C3)N(C(=O)CC4)C
21305-
Enlicitide decanoate CC1C(=O)NC(C(=O)NC2CC3=CC(=CC=C3)CNC(=O)COC4CCN5C4C(=O)NC(C(=O)NC(C(=O)N6CCCC6(C(=O)NCCC7=CC=C(CN(CCCCCCN8C=C(CC(C5=O)NC2=O)C9=C8C=CC(=C9)F)C(=O)CCC(=O)N1)C=C7)C)CC1=CC=C(C=C1)OC)C(C)O)CNC(=O)CCCCC[N+](C)(C)C.[Cl-]
21308+
Enlicitide decanoate C[C@H]1C(=O)N[C@@H](C(=O)N[C@H]2CC3=CC(=CC=C3)CNC(=O)CO[C@H]4CCN5[C@@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)N6CCC[C@]6(C(=O)NCCC7=CC=C(CN(CCCCCCN8C=C(C[C@@H](C5=O)NC2=O)C9=C8C=CC(=C9)F)C(=O)CCC(=O)N1)C=C7)C)CC1=CC=C(C=C1)OC)[C@@H](C)O)CNC(=O)CCCCC[N+](C)(C)C.CCCCCCCCCC(=O)[O-]
2130621309
Navafenterol CN(CCCN1C2=C(C=C(C=C2)CNC[C@@H](C3=C4C=CC(=O)NC4=C(C=C3)O)O)N=N1)C5CCC(CC5)OC(=O)C(C6=CC=CS6)(C7=CC=CS7)O
2130721310
AZD-1390 CC(C)N1C2=C(C=NC3=CC(=C(C=C32)C4=CN=C(C=C4)OCCCN5CCCCC5)F)N(C1=O)C
2130821311
Turletricin [C@H]1[C@H](C)OC(C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@](O2)(O)C[C@H](O)[C@@H](C(NC(CO)CO)=O)[C@@H]2C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@H]3O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@H]1O)=O
@@ -23465,6 +23468,7 @@ Arsinothricin C[As](=O)(CCC(C(=O)O)N)O
2346523468
Cycloheptyne C1CCC#CCC1
2346623469
Thioformamide C(=S)N
2346723470
Luvometinib CN1C2=C(C(=C(C1=O)F)NC3=C(C=C(C=C3)I)F)C(=O)N(N=C2C4=CC(=CC=C4)NS(=O)(=O)C5CC5)C6CC6
23471+
2C-T-22 COC1=CC(=C(C=C1CCN)OC)SCC(F)(F)F
2346823472
Cyclononyne C1CCCC#CCCC1
2346923473
Cyclodecyne C1CCCCC#CCCC1
2347023474
MDO-NPA CCCN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C5=C(C=C4)OCO5
@@ -23804,3 +23808,4 @@ A-NK O=C1CCCCC1(NCCCC#C)c1ccccc1Cl
2380423808
5-MeO-IsoqT COC1=CC2=C(C=C1)NC=C2CCN3CC4CCC3CC4
2380523809
PCPEP C1CCN(CC1)C2(CCCC2)C3=CC=CC=C3
2380623810
Chlorofluorodiiodomethane C(F)(Cl)(I)I
23811+
1,3-Bis(trifluoromethyl)benzene C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

stats.json

Lines changed: 2 additions & 1 deletion
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@@ -3874,5 +3874,6 @@
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{"date":"2025-11-07T03:57:52.099Z","molecules":23802,"errors":38,"nogood":27,"notfound":2260,"dup":534},
38753875
{"date":"2025-11-08T03:54:02.780Z","molecules":23804,"errors":38,"nogood":27,"notfound":2260,"dup":534},
38763876
{"date":"2025-11-09T03:58:25.047Z","molecules":23805,"errors":38,"nogood":27,"notfound":2260,"dup":534},
3877-
{"date":"2025-11-10T04:00:01.226Z","molecules":23806,"errors":38,"nogood":27,"notfound":2260,"dup":534}
3877+
{"date":"2025-11-10T04:00:01.226Z","molecules":23806,"errors":38,"nogood":27,"notfound":2260,"dup":534},
3878+
{"date":"2025-11-11T03:59:00.313Z","molecules":23811,"errors":38,"nogood":27,"notfound":2261,"dup":534}
38783879
]

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