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Molecule FYI-1000383
Molecule Summary: ID: FYI-1000383 SMILES: O=c1c(O)c(O)c1=O Received at FYIcenter.com on: 2021-04-30
2021-10-10, 851🔥, 0💬

Fingerprint Types Supported in Open Babel
What Fingerprint Types are Supported in Open Babel? You can get a list of fingerprint types supported in Open Babel by running the "babel -L fingerprints" command: fyicenter$ babel -L fingerprints FP2 Indexes linear fragments up to 7 atoms. FP3 SMARTS patterns specified in the file patterns.txt FP4 ...
2020-12-15, 850🔥, 0💬

Molecule FYI-1000455
Molecule Summary: ID: FYI-1000455 SMILES: CN(C)C(=N)N=C(N)N Received at FYIcenter.com on: 2021-07-08
2021-10-02, 848🔥, 0💬

Molecule FYI-1001815
Molecule Summary: ID: FYI-1001815 SMILES: CCCN(CC)C(=O)C1=CC(=CC=C1Cl)S( =O)(=O)NC1=CC=CC=C1Received at FYIcenter.com on: 2022-12-14
2023-01-06, 846🔥, 0💬

Molecule FYI-1000286
Molecule Summary: ID: FYI-1000286 SMILES: [R2]C([C@H](CC1=CC=CO1)N[R1])= OReceived at FYIcenter.com on: 2021-03-05
2021-08-13, 846🔥, 0💬

Molecule FYI-1002036
Molecule Summary: ID: FYI-1002036 Names: InChIKey: LQNUZADURLCDLV-UHFFFAOYSA-N SMILES: C1=CC=C(C=C1)[N+](=O)[O-] Received at FYIcenter.com on: 2023-01-20
2023-01-20, 844🔥, 0💬

Molecule FYI-1000283
Molecule Summary: ID: FYI-1000283 SMILES: NC(CCCCC(=O)c1ccc(Cl)cc1(c2ccc cc2)c3ccccc3Received at FYIcenter.com on: 2021-03-04
2021-08-13, 843🔥, 0💬

Open Babel History and Releases
When Open Babel was first developed? And how many Open Babel releases are there? The original Babel was written by Pat Walters and Matt Stahl in 2001, based on the "convert" program by Ajay Shah. The original Babel is a remarkable chemistry file conversion tool. Pat Walters and Matt Stahl rewrote Ba...
2020-09-15, 843🔥, 0💬

Introduction to Molecules
Where to find FAQ (Frequently Asked Questions) in understanding what is molecule and its basic properties? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team in understanding what is molecule. What Is Molecule What Is Molecular Formula What Is Atomic...
2020-04-16, 843🔥, 0💬

Molecule FYI-1000967
Molecule Summary: ID: FYI-1000967 SMILES: O=C1CSC(=S)N1CCN(CC)CC Received at FYIcenter.com on: 2021-08-20
2021-11-30, 842🔥, 0💬

Molecule FYI-1003294
Molecule Summary: ID: FYI-1003294 Names: InChIKey: RLJQKMDDWVEIGY-UHFFFAOYSA-N SMILES: COc3cccc(c2ncc(c1ccccc1C)o2)c3 OCReceived at FYIcenter.com on: 2023-05-31
2023-06-19, 839🔥, 0💬

Molecule FYI-1000378
Molecule Summary: ID: FYI-1000378 SMILES: [H] Received at FYIcenter.com on: 2021-04-19
2021-05-04, 839🔥, 0💬

Molecule FYI-1000958
Molecule Summary: ID: FYI-1000958 SMILES: C1CCCCCC1 Received at FYIcenter.com on: 2021-08-13
2021-08-13, 838🔥, 0💬

What Is Ion
What Is Ion? An ion is a molecule that has a net electrical charge. Since the charge of the electron (considered negative by convention) is equal and opposite to that of the proton (considered positive by convention), the net charge of an ion is non-zero due to its total number of electrons being un...
2020-05-29, 838🔥, 0💬

Molecule FYI-1000294
Molecule Summary: ID: FYI-1000294 SMILES: Oc1cccc2ccccc12 Received at FYIcenter.com on: 2021-03-19
2022-05-31, 837🔥, 0💬

Molecule FYI-1000386
Molecule Summary: ID: FYI-1000386 SMILES: CCOC(=O)C2CC[NH+](Cc1ccccc1)CC 2=OReceived at FYIcenter.com on: 2021-04-30
2021-10-10, 837🔥, 0💬

Molecule FYI-1000380
Molecule Summary: ID: FYI-1000380 SMILES: Cc1n[nH]c(C)c1c2cn(C)c3c(C(=O) O)cccc23.ClReceived at FYIcenter.com on: 2021-04-22
2021-06-20, 836🔥, 0💬

Molecule FYI-1000261
Molecule Summary: ID: FYI-1000261 SMILES: C=C(C)[NH+](C)C(=O)C1=NC(=C)CC =C1N1N=CC=N1Received at FYIcenter.com on: 2021-02-12
2021-03-07, 835🔥, 0💬

Molecule FYI-1000977
Molecule Summary: ID: FYI-1000977 SMILES: S=C1S/C(=C/c2ccc(cc2)C(C)C)C(= O)N1CCN(C)CReceived at FYIcenter.com on: 2021-08-20
2021-12-28, 834🔥, 0💬

Molecule FYI-1000338
Molecule Summary: ID: FYI-1000338 SMILES: C1=NC2=C(N1)C(=S)N=C(N2)N Received at FYIcenter.com on: 2021-04-06
2022-07-26, 833🔥, 0💬

"obenergy" - Calculate Molecule Energy
What Is "obenergy" command? How to use it to Calculate Molecule Energy? "obenergy" command is a command line tool provided in the Open Babel package that allows you to Calculate Molecule Energy. Here is the user manual of the "obenergy" command. NAME obenergy -- calculate the energy for a molecule S...
2020-11-11, 831🔥, 0💬

"babel -H fpt" - Fingerprint Help Information
How to get help information on Open Babel Fingerprints? You can use the "babel -H fpt" command to get help information on Open Babel Fingerprints: fyicenter$ babel -H fpt fpt Fingerprint format Generate or display molecular fingerprints. This format constructs and displays fingerprints and (for mult...
2020-11-22, 830🔥, 0💬

Molecule FYI-1000269
Molecule Summary: ID: FYI-1000269 SMILES: N[17C@@](F)([18C])C(=[1912O])[ 20O]Received at FYIcenter.com on: 2021-02-24
2021-04-04, 829🔥, 0💬

Molecule FYI-1000268
Molecule Summary: ID: FYI-1000268 SMILES: N[17C@@](F)([18C])C(=[19O])[20 O]Received at FYIcenter.com on: 2021-02-24
2021-04-04, 828🔥, 0💬

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