Atom Biology General Molecule Reaction Tools Trial Virus

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Molecule FYI-1003444
Molecule Summary: ID: FYI-1003444 Names: InChIKey: SEBIKDIMAPSUBY-SFESEKDKSA-N SMILES: C/C(=C/C=C/C=C(C)/C=C/C=C(C)\\ C(=O)O[C@@H]2O[C@H](CO[C@@H]1O [C@H](CO)[C@@H](O)[C@H](O)[C@H ]1O)[C@@H](O)[C@H](O)[C@H]2O)/ C=C/C=C(C)\\C(=O)O[C@@H]4O[C@H ](CO[C@@H]3O[C@H](CO)[C@@H](O) [C@H](O)[C@H]3O)[C@@H](O)[C@H] (O)... 2023-07-01, 2980🔥, 0💬

Molecule FYI-1002056
Molecule Summary: ID: FYI-1002056 Names: LIPITOR; InChIKey: FQCKMBLVYCEXJB-MNSAWQCASA-L SMILES: CC(C)C1=C(C(=C(N1CCC(CC(CC(=O) [O-])O)O)C2=CC=C(C=C2)F)C3=CC= CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C 1=C(C(=C(N1CCC(CC(CC(=O)[O-])O )O)C2=CC=C(C=C2)F)C3=CC=CC=C3) C(=O)NC4=CC=CC=C4.[Ca+2]Received at FYIcenter.com on:... 2023-01-24, 2977🔥, 0💬

Molecule FYI-1003887
Molecule Summary: ID: FYI-1003887 Names: InChIKey: GIUYCYHIANZCFB-FJFJXFQQSA-N SMILES: Nc1nc(F)nc2c1ncn2[C@@H]3O[C@H] (COP(=O)(O)O)[C@@H](O)[C@@H]3OReceived at FYIcenter.com on: 2023-08-04 2023-08-09, 2975🔥, 0💬

ketcher.getSmiles() and ketcher.getSmarts()
How to export the chemical structure in SMILES and SMARTS formats from the Ketcher with the ketcher.getSmiles() and ketcher.getSmarts() methods? To export the chemical structure (molecule, reaction, or substructure pattern) in SMILES and SMARTS formats from the Ketcher, you can use the getSmiles() a... 2023-12-10, 2974🔥, 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, 2967🔥, 0💬

Molecule FYI-1003547
Molecule Summary: ID: FYI-1003547 Names: InChIKey: UWKAYLJWKGQEPM-UHFFFAOYSA-N SMILES: C=CC(C)(CC/C=C(C)/C)OC(C)=O Received at FYIcenter.com on: 2023-06-29 2023-07-11, 2960🔥, 0💬

Molecule FYI-1000190
Molecule Summary: ID: FYI-1000190 SMILES: Cc1cc(C)n2nc(C(=O)N/N=C/c3ccc4 c(c3)OCO4)nc2n1Received at FYIcenter.com on: 2020-11-11 2020-12-26, 2960🔥, 0💬

Molecule FYI-1000299
Molecule Summary: ID: FYI-1000299 SMILES: O=CC(O)C(O)C(O)CO Received at FYIcenter.com on: 2021-03-21 2022-05-31, 2954🔥, 0💬

Molecule FYI-1000177
Molecule Summary: ID: FYI-1000177 SMILES: C1CCCC1 Received at FYIcenter.com on: 2020-10-16 2020-10-26, 2952🔥, 0💬

List of Open Babel Commands
How many command line tools are provided in the Open Babel package? By default, Open Babel package provides the following command line tools: babel (obabel) - Convert chemistry and molecular modeling data files. obchiral - Print molecular chirality information. obconformer - Generate conformer coord... 2020-11-22, 2950🔥, 0💬

Molecule FYI-1003083
Molecule Summary: ID: FYI-1003083 Names: InChIKey: PRKDDGMIJSLQME-IUCAKERBSA-N SMILES: N#Cc1c(O)ccc3c1[nH]c4ncnc(N[C@ H]2CC[C@H](C(N)=O)C2)c34Received at FYIcenter.com on: 2023-05-10 2023-06-19, 2949🔥, 0💬

Molecule FYI-1003127
Molecule Summary: ID: FYI-1003127 Names: ETHYL ALCOHOL; ETHANOL; InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N SMILES: CCO Received at FYIcenter.com on: 2023-05-13 2023-06-12, 2947🔥, 0💬

Molecule FYI-1004924
Molecule Summary: ID: FYI-1004924 Names: InChIKey: UMNKGHHFEJBGDZ-HMIIVJTLSA-J SMILES: Cc8cc(C)nc(NS(=O)(=O)c7ccc([N+ ]2=Cc1cc(I)cc(I)c1O[Cu]24(O)(O )Oc3c(I)cc(I)cc3C=[N+]4c6ccc(S (=O)(=O)Nc5nc(C)cc(C)n5)cc6)cc 7)n8Received at FYIcenter.com on: 2023-09-30 2023-10-11, 2945🔥, 0💬

Molecule FYI-1003297
Molecule Summary: ID: FYI-1003297 Names: InChIKey: VEVPAWVGLHYFFE-UHFFFAOYSA-N SMILES: COCOc1ccccc1c3cnc(c2cccc(OC)c2 OC)o3Received at FYIcenter.com on: 2023-05-31 2023-06-19, 2945🔥, 0💬

Molecule FYI-1003124
Molecule Summary: ID: FYI-1003124 Names: InChIKey: KLVTYOKEBSKWBV-GHRIWEEISA-N SMILES: CC(=O)/N=C\\1C(OC(C)=O)OC(COC( C)=O)C(OC(C)=O)C1OC(C)=OReceived at FYIcenter.com on: 2023-05-12 2023-06-12, 2945🔥, 0💬

Molecule FYI-1006452
Molecule Summary: ID: FYI-1006452 Names: InChIKey: KSFZRMNZDYFUAU-BYEGLACWSA-N SMILES: Cl[Ru]13Oc5c(C=[N+]1c2ccccc2[S +]3Cc4ccccc4)ccc6ccccc56Received at FYIcenter.com on: 2023-12-21 2023-12-31, 2943🔥, 0💬

Molecule FYI-1000204
Molecule Summary: ID: FYI-1000204 SMILES: CC1=CC(=C(C=C1)OP(=O)(OC2=C(C= C(C=C2)C)C)OC3=C(C=C(C=C3)C)C) CReceived at FYIcenter.com on: 2020-12-12 2021-02-04, 2943🔥, 0💬

Molecule FYI-1001167
Molecule Summary: ID: FYI-1001167 SMILES: Oc1ccccc1C1=NNC(=S)N1N Received at FYIcenter.com on: 2022-02-11 2022-07-01, 2940🔥, 0💬

Molecule FYI-1002893
Molecule Summary: ID: FYI-1002893 Names: InChIKey: YZJMQWTUVKKLNZ-UHFFFAOYSA-N SMILES: NS(=O)(=O)c3cc(C(=O)NC1CCCCC1) c(S(=O)(=O)Cc2ccccc2)cc3ClReceived at FYIcenter.com on: 2023-04-25 2023-05-09, 2931🔥, 0💬

Molecule FYI-1002263
Molecule Summary: ID: FYI-1002263 Names: InChIKey: AJRWJLFQSXGFGI-UHFFFAOYSA-O SMILES: C/C=C=C=C=C=[NH+]/C(=O)C1CC(OC C(F)(F)F)CCC1OCC(F)(F)FReceived at FYIcenter.com on: 2023-02-14 2023-03-17, 2931🔥, 0💬

Molecule FYI-1000279
Molecule Summary: ID: FYI-1000279 SMILES: C[C@H](CCl)F Received at FYIcenter.com on: 2021-03-03 2021-04-17, 2931🔥, 0💬

Molecule FYI-1003885
Molecule Summary: ID: FYI-1003885 Names: InChIKey: DCAYPVUWAIABOU-UHFFFAOYSA-N SMILES: CCCCCCCCCCCCCCCC Received at FYIcenter.com on: 2023-08-03 2023-08-09, 2928🔥, 0💬

Molecule FYI-1000938
Molecule Summary: ID: FYI-1000938 SMILES: O=S(NC(NC1=C(CCC2)C2=CC=C1C3=C C=NC(OC)=C3)=O)(N(C4=CN(C)N=C4 )C5CCOCC5)=OReceived at FYIcenter.com on: 2021-07-20 2021-08-13, 2927🔥, 0💬

Molecule FYI-1005609
Molecule Summary: ID: FYI-1005609 Names: InChIKey: ZCWSUZJGZZFSHM-UHFFFAOYSA-N SMILES: CCOC(=O)CCc1cc(C(C)(C)C)c(O)c( C(C)(C)C)c1Received at FYIcenter.com on: 2023-11-07 2023-11-13, 2925🔥, 0💬

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Atom Biology General Molecule Reaction Tools Trial Virus