update data

{
  "date": "2025-11-07T03:57:52.099Z",
  "molecules": 23802,
  "errors": 38,
  "nogood": 27,
  "notfound": 2260,
  "dup": 534
}

Author: cheminfo-bot

public/data.json

@@ -473,6 +473,7 @@ gCh`hEIWILt@@	Nitromethane
 fcoaa@OJtTDPbHrJYQQFYQJYJ[QITYfj}tuUMU`DP@P@@@	Cypermethrin
 fa{@P@@H[uIefUf]W}IQWhesUjB`@@@Bh@@@	Phenolphthalein
 gFPUhlPDTpwGjl^V`@	Magnesium sulfate
+dcTERXSB[ae]@HhpsbzbZ^dYfUgYrRPNRRKUUP@@	Magnesium sulfate
 ehR\N@@@mg`ACHfcklbbbbbbbrLafblRTTxtT|\rFfZAhJhjjZZfjJHxebr`t@@	Minocycline
 dcvLQBaL@HwPsmgIIJhdaJkUUT@@	Cyclamate
 gd|]`|RDLt{SEqr{CcpDRYBeShLfKCeqy|aHlQIerEReWYCyV|pEY@kDEY`kBEYPkFEYpkAEYHkEEYhkC@QDBF`QlB@PQRB@GXNX]H{I@XC@XCI@yHGI@yHGI@yHGELeLhmCEDelMELeLhmCEDelMELeLhmCEDelFcEfuy}^BYIesUZu^hNFSYvw]owUURtmKRtmKU@@AEUUTt@@DUUUSP@@QUUUHTEAQbmAtoQ}KLBrkFlipWK\]p@@	Herapathite
@@ -2344,6 +2345,7 @@ gGY@DDfuj`@	Butyramide
 fn}Ah@@XDkSoQsUnRJJIQISFJF[TeUUUUUUUThIDHjKddcJrC@@	Maltitol
 dmVD@NADfvWfjjh@@	Pregabalin
 f`aQ`@DX@pVQQIQZZIFgFjYjjh@@	Pentobarbital
+fmi@fRf\EIQkN|ENRuzNZpYDLaFQcHIdTBMADPahPBXRb\RRU\Gj}Oe}`@@\dHLdHLdCdbuKTmKP@@	Oxone
 eghPF@@@GFaeclbbRfbbebrTRefReCBe`TVUSRuUUUUUMSUUCBxQdbfT@@	Methylprednisolone acetate
 edZPA@@@GFaec`X\bbRfbbebrTRefRfReCBe`TVUSRuUUUUUMSTuTHpnDICIY@iELh@@	Methylprednisolone succinate
 ffcP@@@YrRJJIQJIQDvJmjKdu@DPQPUP@@@	Trimipramine
@@ -23793,3 +23795,8 @@ fjmPc@IVipD`bPqHYEHTihhmMLejvRuUMMU@@`@@	CF3-Etomidate
 fdiabBGPXHEXCgR`s\wN{RT{uADEUTP@@	Anhalotine
 fbuP`@JJ@cHheDheieBdIR\mTuUT@B@@@	Butomidate
 fbuP`@JZ@cHheEEDcCLeKR\mTuUT@B@@@	Sec-butomidate
+fbuP`@JJ@cHheDheMKLdIR\mTuUT@B@@@	Iso-butomidate
+fjmPc@EAbdDPRPeDYEEELeCMDiTpW`pPQUTkTP@@	2,6-Dichloro-3-fluoroetomidate
+fbuPa@AFHpD`bPR[VygnuTYNZjZZj@A@@@	CF2-Etomidate
+ff}Pc@ENXHD`bPqHYEHTeMEEiidcNKVjjZZj@A@@@	CF3-Propoxate
+fdyaB@AFAHYEEDeHUDmf\\F@`jfjb@@	2-FXPr

public/idcode.txt

@@ -473,6 +473,7 @@ Nitromethane	C[N+](=O)[O-]
 Cypermethrin	Cl/C(Cl)=C/C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C
 Phenolphthalein	O=C1OC(C2=C1C=CC=C2)(C3=CC=C(C=C3)O[H])C4=CC=C(C=C4)O[H]
 Magnesium sulfate	[Mg+2].[O-]S([O-])(=O)=O
+Magnesium sulfate	[OH2+][Mg-4]([OH2+])([OH2+])([OH2+])([OH2+])[OH2+].[O-]S(=O)(=O)[O-]
 Minocycline	CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O
 Cyclamate	[Na+].O=S([O-])(=O)NC1CCCCC1
 Herapathite	COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.I[I-]I.I[I-]I.I[I-]I.I[I-]I
@@ -2344,6 +2345,7 @@ Butyramide	O=C(N)CCC
 Maltitol	OC[C@H](O)[C@@H](O)[C@]([C@H](O)CO)([H])O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
 Pregabalin	CC(C)CC(CC(=O)O)CN
 Pentobarbital	O=C1NC(=O)NC(=O)C1(C(C)CCC)CC
+Oxone	OS(=O)(=O)[O-].OS(=O)(=O)O[O-].OS(=O)(=O)O[O-].[O-]S(=O)(=O)[O-].[K+].[K+].[K+].[K+].[K+]
 Methylprednisolone acetate	C[C@H]1CC2C3CC[C@@]([C@]3(C[C@@H](C2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)C)O
 Methylprednisolone succinate	C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCC(=O)O)O
 Trimipramine	c1cc3c(cc1)CCc2c(cccc2)N3CC(C)CN(C)C
@@ -23793,3 +23795,8 @@ CF3-Etomidate	CC(C1=CC=CC=C1)N2C=NC=C2C(=O)OCC(F)(F)F
 Anhalotine	[I-].COc1c(OC)c(O)c2c(c1)CC[N+](C)(C)C2
 Butomidate	O=C(C1=CN=CN1C(C2=CC=CC=C2)C)OCCCC
 Sec-butomidate	O=C(C1=CN=CN1C(C2=CC=CC=C2)C)OC(C)CC
+Iso-butomidate	CC(n1cncc1C(=O)OCC(C)C)c1ccccc1
+2,6-Dichloro-3-fluoroetomidate	O=C(OCC)c1cncn1C(C)c1c(Cl)ccc(F)c1Cl
+CF2-Etomidate	CC(C1=CC=CC=C1)N2C=NC=C2C(=O)OCC(F)F
+CF3-Propoxate	CC(C1=CC=CC=C1)N2C=NC=C2C(=O)OCCC(F)(F)F
+2-FXPr	CCCNC2(c1ccccc1F)CCCCC2=O

public/smiles.txt

@@ -3870,5 +3870,6 @@
 {"date":"2025-11-03T04:00:35.077Z","molecules":23783,"errors":38,"nogood":27,"notfound":2257,"dup":534},
 {"date":"2025-11-04T03:57:11.920Z","molecules":23785,"errors":38,"nogood":27,"notfound":2257,"dup":534},
 {"date":"2025-11-05T03:58:20.947Z","molecules":23790,"errors":38,"nogood":27,"notfound":2259,"dup":534},
-{"date":"2025-11-06T03:59:47.767Z","molecules":23795,"errors":38,"nogood":27,"notfound":2259,"dup":534}
+{"date":"2025-11-06T03:59:47.767Z","molecules":23795,"errors":38,"nogood":27,"notfound":2259,"dup":534},
+{"date":"2025-11-07T03:57:52.099Z","molecules":23802,"errors":38,"nogood":27,"notfound":2260,"dup":534}
 ]