Atom Biology General Molecule Reaction Tools Trial Virus

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Molecule FYI-1001106
Molecule Summary: ID: FYI-1001106 SMILES: [Mo@](/[P]=N\\[CH2])(P1(N(C)CC N1C)OC)([C][O])[CH][CH].[Mo@@] (/[P]=N\\[CH2])(P1(N(C)CCN1C)O C)([C][O])[CH][CH].[CH].[CH].[ C]C=[CH].[C]C=[CH].C[N].C[N].[ CH2].[CH2].[H].[H].[H].[H].[H] .[H]Received at FYIcenter.com on: 2022-01-04 2022-02-04, 748🔥, 0💬

"mvn dependency:build-classpath" - Generate Class Pass
How to generate class path for dependences with Maven? If you run your application JAR file generated from Maven, you need to include JAR files of all dependences in the class path. One way to build this class path is to use the "mvn dependency:build-classpath" command. 1. Generate class path of all... 2023-04-17, 747🔥, 0💬

Molecule FYI-1000334
Molecule Summary: ID: FYI-1000334 SMILES: Cc1ccc(cc1F)[C@](C)(C(=O)OC)NC C(C)CReceived at FYIcenter.com on: 2021-04-05 2022-07-26, 747🔥, 0💬

Molecule FYI-1000312
Molecule Summary: ID: FYI-1000312 SMILES: C/C(=C\\C(=O)Nc1ccc(F)cc1)NNC( =O)c1cnccn1Received at FYIcenter.com on: 2021-04-05 2022-07-26, 747🔥, 0💬

Using Fastsearch Fingerprint Index
Where to find FAQ (Frequently Asked Questions) on Using Fastsearch Fingerprint Index with Open Babel? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on Using Fastsearch Fingerprint Index with Open Babel. "babel ... -o fs" - Generate Fastsearch In... 2020-09-30, 746🔥, 0💬

Molecule FYI-1002231
Molecule Summary: ID: FYI-1002231 Names: InChIKey: OWTFKEBRIAXSMO-UHFFFAOYSA-N SMILES: [O-][As]([O-])[O-] Received at FYIcenter.com on: 2023-02-07 2023-02-28, 745🔥, 0💬

Molecule FYI-1002098
Molecule Summary: ID: FYI-1002098 Names: InChIKey: KTGFNPYXKIRORF-UHFFFAOYSA-O SMILES: COc%20cc7cc%21[OH+]c1c(OC)cc(c c1OC)C4Oc2c(OC)cc%16cc2c3cc(cc (OC)c3OC4CO)C5OCC6C5COC6c%13cc (OC)c%12OC(CO)Cc%19cc(OC)c%18O C(CO)Cc%10cc(OC)c9OC(CO)Cc%14c c(OC)c(OC(CO)Cc%11cc(OC)c(OC(C O)Cc8cc(OC)c(OC(CO)C7)c(c8)c9c %10... 2023-02-19, 745🔥, 0💬

Molecule FYI-1000976
Molecule Summary: ID: FYI-1000976 SMILES: S=C1S/C(=C/c2ccccc2C)C(=O)N1CC N(C)CReceived at FYIcenter.com on: 2021-08-20 2021-12-28, 745🔥, 0💬

"babel ... -o svg -xd -xP300" Bug - Option -d takes a parameter
Why "babel ... -o svg -xd -xP300" command is giving the "Option -d takes a parameter" error in Open Babel 2.4? It seems to be another code bug in the "babel" command in Open Babel 2.4 release. "-xd" option for "svg" output format should not require any parameters according the help document: "d - do... 2020-07-15, 745🔥, 0💬

Molecule FYI-1002019
Molecule Summary: ID: FYI-1002019 Names: InChIKey: NRZRFNYKMSAZBI-UHFFFAOYSA-N SMILES: CC(C)C(N)C(=O)NCCCS(=O)(=O)O Received at FYIcenter.com on: 2023-01-18 2023-01-18, 744🔥, 0💬

Molecule FYI-1000315
Molecule Summary: ID: FYI-1000315 SMILES: CCCOc1ccc(CNC(=O)CSc2nc(C)n[nH ]2)cn1Received at FYIcenter.com on: 2021-04-05 2022-07-26, 744🔥, 0💬

Molecule FYI-1006501
Molecule Summary: ID: FYI-1006501 Names: InChIKey: TVKKHZVLZTUQHW-UHFFFAOYSA-N SMILES: CC1C=[C+](C)=CCC1 Received at FYIcenter.com on: 2023-12-29 2024-01-10, 743🔥, 0💬

Molecule FYI-1002012
Molecule Summary: ID: FYI-1002012 Names: InChIKey: JUJWROOIHBZHMG-UHFFFAOYSA-N SMILES: c1ccncc1 Received at FYIcenter.com on: 2023-01-18 2023-01-18, 743🔥, 0💬

"babel -d" Command - Delete Hydrogens from Molecule Data
How to delete hydrogen atoms from molecule data during data conversion? If hydrogen atoms of a molecule are included in the input data source, you can use the "babel" generic option "-d" remove those hydrogen atoms during the molecule data conversion process. Here is an example of using the "-d" opt... 2020-07-15, 743🔥, 0💬

Molecule FYI-1001083
Molecule Summary: ID: FYI-1001083 SMILES: Cc1cn([C@@]2([H])C[C@@]([H])([ C@@]([H])(CO[C@@]3([H])[C@@]([ H])([C@]([H])([C@@]([H])([C@@] ([H])(C(=O)O)O3)O)O)O)O2)N=[N+ ]=[N-])c(=O)nc1OReceived at FYIcenter.com on: 2021-12-03 2022-04-13, 742🔥, 0💬

Molecule FYI-1002059
Molecule Summary: ID: FYI-1002059 Names: PENICILLIN; InChIKey: JGSARLDLIJGVTE-UHFFFAOYSA-N SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)CC3= CC=CC=C3)C(=O)O)CReceived at FYIcenter.com on: 2023-01-24 2023-02-05, 740🔥, 0💬

"babel -i fs ... -s query_file" - Substructure Search
Why am I getting no results with "babel -i fs ... -s query_file" command? It should perform a substructure search in a fastsearch index file. According to the "babel -H fs" help document, you can perform a substructure search in a fastsearch index file with the query molecule stored in a file in any... 2020-05-25, 740🔥, 0💬

Molecule FYI-1003298
Molecule Summary: ID: FYI-1003298 Names: InChIKey: UPKGPLHHQZULKX-UHFFFAOYSA-N SMILES: CCOc1ccccc1c3cnc(c2cccc(OC)c2O C)o3Received at FYIcenter.com on: 2023-05-31 2023-06-19, 739🔥, 0💬

Molecule FYI-1001099
Molecule Summary: ID: FYI-1001099 SMILES: Received at FYIcenter.com on: 2021-12-26 2022-02-04, 739🔥, 0💬

Molecule FYI-1003291
Molecule Summary: ID: FYI-1003291 Names: InChIKey: MYFSLKYXLCMGDC-UHFFFAOYSA-N SMILES: COc3ccc(OC)c(c2cnc(c1ccccc1OC) o2)c3Received at FYIcenter.com on: 2023-05-31 2023-06-19, 738🔥, 0💬

Molecule FYI-1000198
Molecule Summary: ID: FYI-1000198 SMILES: (1S,3R,5R,6S,8S,10S,11R,13S,15 S,16R,18S,20S,21R,23R,25R,26S, 28R,30R,31R,32R,33R,34R,35S,36 S,37S,38S,39S,40S,41R,42R)-5,1 0,15,20,25,30-Hexakis(hydroxym ethyl)-2,4,7,9,12,14,17,19,22, 24,27,29-dodecaoxaheptacyclo[2 6.2.2.23,6.28,11.213,16.218,21 .223,26]dotetracon... 2021-02-04, 738🔥, 0💬

"babel" Command - Input Data Source and Format
How to specify Input Data Source and Format for a "babel" command? "babel" command arguments and options are organized into 3 sections as shown in the following syntax to convert chemical data from input to output with specified options. babel input_section output_section option_section You use inpu... 2021-07-19, 737🔥, 0💬

Molecule FYI-1003045
Molecule Summary: ID: FYI-1003045 Names: InChIKey: DAHFWOIKSDQWES-AATRIKPKSA-N SMILES: CCOC(=O)C(/C=C/c1csc(N(C)C)n1) CNReceived at FYIcenter.com on: 2023-05-09 2023-05-31, 736🔥, 0💬

Molecule FYI-1002859
Molecule Summary: ID: FYI-1002859 Names: InChIKey: HZSYWLUXRWAWOM-UHFFFAOYSA-N SMILES: NS(=O)(=O)c1cc(C(=O)NCCCO)c(Cl )cc1NCc2ccccc2Received at FYIcenter.com on: 2023-04-24 2023-05-09, 736🔥, 0💬

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Atom Biology General Molecule Reaction Tools Trial Virus