update data

{
  "date": "2025-12-25T04:06:09.722Z",
  "molecules": 23994,
  "errors": 44,
  "nogood": 33,
  "notfound": 2264,
  "dup": 525
}

Author: cheminfo-bot

public/data.json

@@ -1,4 +1,4 @@
-{"stats":{"date":"2025-12-24T04:04:19.965Z","molecules":23992,"errors":44,"nogood":33,"notfound":2264,"dup":525},
+{"stats":{"date":"2025-12-25T04:06:09.722Z","molecules":23994,"errors":44,"nogood":33,"notfound":2264,"dup":525},
 "data":{"molecules":[
 {"id":1365,"title":"Ammonia","smiles":"N","mf":"H3N","mw":17.030525473613128,"em":17.02654910112,"idCode":"fJ@@","sssIndex":[32768,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]},
 {"id":1525,"title":"Aspirin","smiles":"O=C(C)Oc1ccccc1C(=O)O","mf":"C9H8O4","mw":180.15776880033656,"em":180.04225873612,"idCode":"dklB@@QmR[fUxUZBBF@@","sssIndex":[-112315120,1108419073,269488260,25167105,-2147483648,274434,19144724,33554432,152569888,2097152,67502088,1208232960,-1609564160,134221824,-2146435072,335642636]},
@@ -23991,7 +23991,9 @@
 {"id":81890265,"title":"TL 2636","smiles":"CC([C@H]1CC23C=C[C@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)C)OC)(C7CCCCC7)O","mf":"C28H37NO4","mw":451.5987359173697,"em":451.27225867522,"idCode":"eh^XB@@E`NENldTTTRdTrRTR\\fLrVHXd|lRlJBjZV~AhJ`jhijjjjjJjhPeBXQdj`@","sssIndex":[-8211,-294913,-201330721,-893518081,-69797015,-67111330,-137248817,-722233602,2036795359,-1247677689,-957696913,-1586788989,172498257,855269363,-583958174,-1715437564]},
 {"id":81896391,"title":"Thiomethoxyflurane","smiles":"CSC(C(Cl)Cl)(F)F","mf":"C3H4Cl2F2S","mw":181.03143960323192,"em":179.93788299277998,"idCode":"dax@h@bDbBBJdFdDfzZjh@@","sssIndex":[-294631391,2228224,-2138955776,33603584,0,524416,1280,524288,262144,536871424,0,0,2097152,2097152,0,2048]},
 {"id":81914815,"title":"Methyl cyclohexanecarboxylate","smiles":"O=C(OC)C1CCCCC1","mf":"C8H14O2","mw":142.19586757929943,"em":142.09937969036,"idCode":"deTD@@QIemQejjj@@","sssIndex":[-36938,-275867970,-1357630688,-1269888000,554260098,608338944,142606337,118489600,12599296,134217728,0,67109376,16908288,0,8388800,0]},
-{"id":81916548,"title":"Rogocekib","smiles":"CC1=NC2=C(N1CC3=NN=C(O3)[C@@H](C)F)C=C(C=N2)C4=C5C(=NC=NN5C=C4)OC","mf":"C19H17FN8O2","mw":408.38981355985084,"em":408.14584998521997,"idCode":"egdQDH@JNIG@fimbE`ICHhidlhhhdUhhdidqpXyDdtMl]UMUPLAMSRsEPPP@","sssIndex":[-17,-134226059,2105387995,-1127074485,-1766253867,-1808393939,52847164,-1600888657,-1676135326,1517183204,676684040,956603394,-1005581436,-871026658,20984842,18435]}
+{"id":81916548,"title":"Rogocekib","smiles":"CC1=NC2=C(N1CC3=NN=C(O3)[C@@H](C)F)C=C(C=N2)C4=C5C(=NC=NN5C=C4)OC","mf":"C19H17FN8O2","mw":408.38981355985084,"em":408.14584998521997,"idCode":"egdQDH@JNIG@fimbE`ICHhidlhhhdUhhdidqpXyDdtMl]UMUPLAMSRsEPPP@","sssIndex":[-17,-134226059,2105387995,-1127074485,-1766253867,-1808393939,52847164,-1600888657,-1676135326,1517183204,676684040,956603394,-1005581436,-871026658,20984842,18435]},
+{"id":81925038,"title":"Tertomotide","smiles":"CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)N","mf":"C85H146N26O21","mw":1868.233688222914,"em":1867.1155858317297,"idCode":"dREaVJ`@@DB`RA`xIGPLGIq\\`lJRTmIJVd[f]j{nOky~@CBp|I`DuBq|hnIrBfizicYNWdGArJIQQQJIQzIJIQVYJJZIIKQFIIJJJZMJKQIISSPjJVIJJZEJJZGSQQJVIJKQKJJZUJJFarJbmkMUUTtuUUMUSAPTMUTmUUSUUKUUSUSUUMUSUTuTuUKUUMDdXDHDDSHRqHRFdkI~PRadhj]T~hsRvf]Mz@@","sssIndex":[-1,-66049,-1048709,-1090553090,-1180225,-275171,-27571538,1978097775,-1226344545,-638611986,-1700717583,935855022,71480400,84479477,2016029352,572096716]},
+{"id":81926379,"title":"THPC (drug)","smiles":"CCN(CC)C(=O)C1=CCCN(C1)C","mf":"C11H20N2O","mw":196.28972129241313,"em":196.15756327303,"idCode":"dg]H@DtLbbbbRQVfuSUUP@@","sssIndex":[-529410,-1211310817,2104346209,885142048,-1836506986,-2094907127,958349856,-2147418075,244318208,-1039269696,1065600,168887297,-2080341952,-2147481600,0,0]}
 ],"errors":[
 {"id":162874,"smiles":"O(c1ccc(cc1)C(=[N@H])N)CCCCCOc2ccc(C(=[N@H])N)cc2","error":"Unexpected error: TypeError: Cannot read properties of undefined (reading '2')"},
 {"id":488812,"smiles":"S(Ag)Ag","error":"SmilesParser: unknown element label found. Position:2"},

public/idcode.txt

@@ -23990,3 +23990,5 @@ eh^XB@@E`NENldTTTRdTrRTR\fLrVHXd|lRlJBjZV~AhJ`jhijjjjjJjhPeBXQdj`@	TL 2636
 dax@h@bDbBBJdFdDfzZjh@@	Thiomethoxyflurane
 deTD@@QIemQejjj@@	Methyl cyclohexanecarboxylate
 egdQDH@JNIG@fimbE`ICHhidlhhhdUhhdidqpXyDdtMl]UMUPLAMSRsEPPP@	Rogocekib
+dREaVJ`@@DB`RA`xIGPLGIq\`lJRTmIJVd[f]j{nOky~@CBp|I`DuBq|hnIrBfizicYNWdGArJIQQQJIQzIJIQVYJJZIIKQFIIJJJZMJKQIISSPjJVIJJZEJJZGSQQJVIJKQKJJZUJJFarJbmkMUUTtuUUMUSAPTMUTmUUSUUKUUSUSUUMUSUTuTuUKUUMDdXDHDDSHRqHRFdkI~PRadhj]T~hsRvf]Mz@@	Tertomotide
+dg]H@DtLbbbbRQVfuSUUP@@	THPC (drug)

public/smiles.txt

@@ -23990,3 +23990,5 @@ TL 2636	CC([C@H]1CC23C=C[C@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)C)OC)
 Thiomethoxyflurane	CSC(C(Cl)Cl)(F)F
 Methyl cyclohexanecarboxylate	O=C(OC)C1CCCCC1
 Rogocekib	CC1=NC2=C(N1CC3=NN=C(O3)[C@@H](C)F)C=C(C=N2)C4=C5C(=NC=NN5C=C4)OC
+Tertomotide	CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)N
+THPC (drug)	CCN(CC)C(=O)C1=CCCN(C1)C

stats.json

@@ -3918,5 +3918,6 @@
 {"date":"2025-12-21T04:06:20.579Z","molecules":23984,"errors":44,"nogood":33,"notfound":2265,"dup":525},
 {"date":"2025-12-22T04:10:43.261Z","molecules":23989,"errors":44,"nogood":33,"notfound":2264,"dup":525},
 {"date":"2025-12-23T04:05:19.145Z","molecules":23990,"errors":44,"nogood":33,"notfound":2263,"dup":525},
-{"date":"2025-12-24T04:04:19.965Z","molecules":23992,"errors":44,"nogood":33,"notfound":2264,"dup":525}
+{"date":"2025-12-24T04:04:19.965Z","molecules":23992,"errors":44,"nogood":33,"notfound":2264,"dup":525},
+{"date":"2025-12-25T04:06:09.722Z","molecules":23994,"errors":44,"nogood":33,"notfound":2264,"dup":525}
 ]