diff --git a/scripts/validate_macrolactone_db.py b/scripts/validate_macrolactone_db.py index bbe7228..508021c 100755 --- a/scripts/validate_macrolactone_db.py +++ b/scripts/validate_macrolactone_db.py @@ -50,8 +50,14 @@ def main(): parser.add_argument( "--id-col", type=str, + default="ml_id", + help="ID column name (default: ml_id)", + ) + parser.add_argument( + "--chembl-id-col", + type=str, default="IDs", - help="ID column name", + help="CHEMBL ID column name (default: IDs)", ) args = parser.parse_args() @@ -69,6 +75,7 @@ def main(): sample_ratio=args.sample_ratio, smiles_col=args.smiles_col, id_col=args.id_col, + chembl_id_col=args.chembl_id_col, ) results = validator.run(args.input) diff --git a/src/macro_lactone_toolkit/validation/models.py b/src/macro_lactone_toolkit/validation/models.py index 796e1c0..cba96bc 100644 --- a/src/macro_lactone_toolkit/validation/models.py +++ b/src/macro_lactone_toolkit/validation/models.py @@ -27,7 +27,8 @@ class ParentMolecule(SQLModel, table=True): __tablename__ = "parent_molecules" id: Optional[int] = Field(default=None, primary_key=True) - source_id: str = Field(index=True) + ml_id: str = Field(index=True) # MacrolactoneDB unique ID (e.g., ML00000001) + chembl_id: Optional[str] = Field(default=None, index=True) # Original CHEMBL ID molecule_name: Optional[str] = None smiles: str = Field(index=True) classification: str = Field(index=True) diff --git a/src/macro_lactone_toolkit/validation/validator.py b/src/macro_lactone_toolkit/validation/validator.py index 5642c5f..94088a0 100644 --- a/src/macro_lactone_toolkit/validation/validator.py +++ b/src/macro_lactone_toolkit/validation/validator.py @@ -41,12 +41,14 @@ class MacrolactoneValidator: output_dir: str | Path, sample_ratio: float = 0.1, smiles_col: str = "smiles", - id_col: str = "IDs", + id_col: str = "ml_id", + chembl_id_col: str = "IDs", ): self.output_dir = Path(output_dir) self.sample_ratio = sample_ratio self.smiles_col = smiles_col self.id_col = id_col + self.chembl_id_col = chembl_id_col self.analyzer = MacroLactoneAnalyzer() @@ -83,7 +85,8 @@ class MacrolactoneValidator: def _process_molecule(self, row: pd.Series) -> str: """Process a single molecule. Returns status.""" - source_id = str(row[self.id_col]) + ml_id = str(row[self.id_col]) + chembl_id = str(row[self.chembl_id_col]) if self.chembl_id_col in row and pd.notna(row[self.chembl_id_col]) else None smiles = row[self.smiles_col] name = row.get("molecule_pref_name", None) @@ -105,7 +108,8 @@ class MacrolactoneValidator: # Create parent record parent = ParentMolecule( - source_id=source_id, + ml_id=ml_id, + chembl_id=chembl_id, molecule_name=name, smiles=smiles, classification=classification, @@ -124,7 +128,7 @@ class MacrolactoneValidator: parent.processing_status = ProcessingStatus.SKIPPED session.add(parent) session.commit() - self._save_original_image(smiles, source_id, ring_size, classification) + self._save_original_image(smiles, ml_id, ring_size, classification) return "skipped" # Process standard macrolactone @@ -172,7 +176,7 @@ class MacrolactoneValidator: # Save numbered image paths = get_output_paths( - self.output_dir, parent.source_id, parent.ring_size, "standard_macrolactone" + self.output_dir, parent.ml_id, parent.ring_size, "standard_macrolactone" ) image_path = save_numbered_molecule(smiles, paths["numbered_image"], parent.ring_size) if image_path: @@ -217,7 +221,7 @@ class MacrolactoneValidator: # Create fragment record fragment = SideChainFragment( parent_id=parent.id, - fragment_id=f"{parent.source_id}_frag_{fragment_idx}", + fragment_id=f"{parent.ml_id}_frag_{fragment_idx}", cleavage_position=int(position), attachment_atom_idx=ring_atom_idx, attachment_atom_symbol=ring_atom.GetSymbol(), @@ -235,7 +239,7 @@ class MacrolactoneValidator: # Save fragment images if fragments and paths["sidechains_dir"]: - image_paths = save_fragment_images(fragments, paths["sidechains_dir"], parent.source_id) + image_paths = save_fragment_images(fragments, paths["sidechains_dir"], parent.ml_id) for frag, img_path in zip(fragments, image_paths): frag.image_path = img_path session.add(frag) @@ -248,9 +252,9 @@ class MacrolactoneValidator: session.add(parent) session.commit() - def _save_original_image(self, smiles: str, source_id: str, ring_size: int, classification: str): + def _save_original_image(self, smiles: str, ml_id: str, ring_size: int, classification: str): """Save original image for non-standard molecules.""" - paths = get_output_paths(self.output_dir, source_id, ring_size, classification) + paths = get_output_paths(self.output_dir, ml_id, ring_size, classification) try: from rdkit.Chem import Draw @@ -325,7 +329,8 @@ Fragments use isotope values to mark cleavage position: ### summary.csv -- `source_id`: Original molecule ID from MacrolactoneDB +- `ml_id`: MacrolactoneDB unique ID (e.g., ML00000001) +- `chembl_id`: Original CHEMBL ID (if available) - `classification`: Classification result - `ring_size`: Detected ring size (12-20) - `num_sidechains`: Number of side chains detected @@ -363,7 +368,8 @@ sqlite3 fragments.db "SELECT ring_size, COUNT(*) FROM parent_molecules GROUP BY for p in parents: data.append({ "id": p.id, - "source_id": p.source_id, + "ml_id": p.ml_id, + "chembl_id": p.chembl_id, "molecule_name": p.molecule_name, "smiles": p.smiles, "classification": p.classification, diff --git a/validation_output/README.md b/validation_output/README.md new file mode 100644 index 0000000..80a5d06 --- /dev/null +++ b/validation_output/README.md @@ -0,0 +1,85 @@ +# MacrolactoneDB Validation Output + +This directory contains validation results for MacrolactoneDB 12-20 membered rings. + +## Directory Structure + +``` +validation_output/ +├── README.md # This file +├── fragments.db # SQLite database with all data +├── summary.csv # Summary of all processed molecules +├── summary_statistics.json # Statistical summary +│ +├── ring_size_12/ # 12-membered rings +├── ring_size_13/ # 13-membered rings +... +└── ring_size_20/ # 20-membered rings + ├── molecules.csv # Molecules in this ring size + ├── standard/ # Standard macrolactones + │ ├── numbered/ # Numbered ring images + │ │ └── {id}_numbered.png + │ └── sidechains/ # Fragment images + │ └── {id}/ + │ └── {id}_frag_{n}_pos{pos}.png + ├── non_standard/ # Non-standard macrocycles + │ └── original/ + │ └── {id}_original.png + └── rejected/ # Not macrolactones + └── original/ + └── {id}_original.png +``` + +## Database Schema + +### Tables + +- **parent_molecules**: Original molecule information +- **ring_numberings**: Ring atom numbering details +- **side_chain_fragments**: Fragmentation results with isotope tags +- **validation_results**: Manual validation records + +### Key Fields + +- `classification`: standard_macrolactone | non_standard_macrocycle | not_macrolactone +- `dummy_isotope`: Cleavage position stored as isotope value for reconstruction +- `cleavage_position`: Position on ring where side chain was attached + +## Ring Numbering Convention + +1. Position 1 = Lactone carbonyl carbon (C=O) +2. Position 2 = Ester oxygen (-O-) +3. Positions 3-N = Sequential around ring + +## Isotope Tagging + +Fragments use isotope values to mark cleavage position: +- `[5*]CCO` = Fragment from position 5, dummy atom has isotope=5 +- This enables precise reconstruction during reassembly + +## CSV Columns + +### summary.csv + +- `source_id`: Original molecule ID from MacrolactoneDB +- `classification`: Classification result +- `ring_size`: Detected ring size (12-20) +- `num_sidechains`: Number of side chains detected +- `cleavage_positions`: JSON array of cleavage positions +- `processing_status`: pending | success | failed | skipped + +## Querying the Database + +```bash +# List tables +sqlite3 fragments.db ".tables" + +# Get standard macrolactones with fragments +sqlite3 fragments.db "SELECT * FROM parent_molecules WHERE classification='standard_macrolactone' LIMIT 5;" + +# Get fragments for a specific molecule +sqlite3 fragments.db "SELECT * FROM side_chain_fragments WHERE parent_id=1;" + +# Count by ring size +sqlite3 fragments.db "SELECT ring_size, COUNT(*) FROM parent_molecules GROUP BY ring_size;" +``` diff --git a/validation_output/fragments.db b/validation_output/fragments.db new file mode 100644 index 0000000..80c2d51 Binary files /dev/null and b/validation_output/fragments.db differ diff --git a/validation_output/summary.csv b/validation_output/summary.csv new file mode 100644 index 0000000..c12cd43 --- /dev/null +++ b/validation_output/summary.csv @@ -0,0 +1,1098 @@ +id,source_id,molecule_name,smiles,classification,ring_size,primary_reason_code,primary_reason_message,processing_status,error_message,num_sidechains,cleavage_positions,numbered_image_path,processed_at +1,CHEMBL1735765,,C[C@H]1COC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +2,nan,,O=C(C[C@@H]1C/C=C\C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@@H]2CCCN2C1=O)N[C@@H](CO)Cc1ccccc1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +3,nan,,C/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OCC(C)C3CC(OC(=O)CC21)C(C)C3CO,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +4,nan,,C[C@@H]1C[C@](O)([C@@H](C)Cl)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +5,nan,,O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(Oc4c(C(=O)OC[C@H]5O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]5O)cc(O)c(O)c4O)c(O)c3O)C(=O)O[C@H]([C@H]1O)[C@@H]2O)c1cc(O)c(O)c(O)c1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +6,nan,,O=C1NC[C@H](c2ccccc2)OC(=O)[C@H](Cc2ccc(F)cc2)C/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +7,nan,,CO[C@H]1/C=C\CC/C=C\C(=O)O[C@@H](/C(C)=C/[C@H](C)C(=O)/C=C/CC2CC(=O)NC(=O)C2)[C@@H](C)[C@@H]1O,standard_macrolactone,12.0,,,success,,4.0,"[3, 4, 5, 6]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.053274 +8,nan,,C[C@@H]1COC(=O)[C@@H](CC(=O)OC(C)(C)C)C/C=C\C[C@H](CC(=O)NCCO)C(=O)N1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +9,nan,,CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)/C=C/C=C(\C)[C@H]1OC(=O)CCCCCC/C=C/[C@H]1C,standard_macrolactone,12.0,,,success,,2.0,"[3, 4]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.084453 +10,nan,,CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C/[C@@H]1C,standard_macrolactone,12.0,,,success,,6.0,"[3, 4, 7, 8, 8, 11]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.122709 +11,nan,,CC[C@]1(O)C[C@@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +12,nan,,CC1CCC(O)CCCCc2cc(O)cc(O)c2C(=O)O1,standard_macrolactone,12.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.147647 +13,nan,,CC(=O)O[C@H]1/C=C/C[C@@H](/C(C)=C/C=C/CC[C@H]2O[C@@H]2C[C@H](C)O)OC(=O)CCCC[C@@]1(C)O,standard_macrolactone,12.0,,,success,,4.0,"[3, 7, 8, 8]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.183707 +14,nan,,O=C1O[C@@H](c2ccccc2)C[C@@H](O)C(=O)CCCCc2ccccc21,standard_macrolactone,12.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.204651 +15,nan,,CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@H](CO)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C)c1cc(O)c(Br)cc1Br,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +16,nan,,O=C(Oc1c(O)cc2c(c1O)-c1c(cc(O)c(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](O)[C@H](OC2=O)[C@@H]1O)c1cc(O)c(O)c(O)c1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +17,nan,,C/C(=C\[C@@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)[C@H]1OC(=O)/C=C\CC/C=C\C=C/[C@@H]1C,standard_macrolactone,12.0,,,success,,2.0,"[3, 4]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.245607 +18,nan,,C=COCOc1cc(O)c2c(c1)CCCCCCC[C@@H](C)OC2=O,standard_macrolactone,12.0,,,failed,non-ring atom 5 marked aromatic,,,ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.263591 +19,nan,,C=C1NC(=O)[C@@H](CCCc2ccc(OC)cc2)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C)NC1=O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +20,nan,,C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@@]23O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +21,nan,,CC(=O)O[C@@]1(C)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC(=O)[C@@](O)([C@@H](C)O)C[C@H]1C)[C@]23O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +22,nan,,O=C(O)C[C@@H]1C(=O)O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@H]1C(=O)O3,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +23,nan,,CC(=O)O[C@@H]1/C=C\C[C@H](/C(C)=C/C=C/[C@@H](C)O)OC(=O)C[C@H](O)CC[C@H]1C,standard_macrolactone,12.0,,,success,,4.0,"[3, 7, 8, 11]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.323166 +24,nan,,O=C1OC[C@@H]2O[C@@H](O)[C@H]3OC(=O)c4cc(O)c(O)c5c4[C@@H]4C(=CC(=O)[C@](O)(O5)C4(O)O)C(=O)O[C@H]2[C@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](OC(=O)c1cc(O)c(O)c(O)c1)(O3)C2(O)O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +25,nan,,CC/C=C\C=C/C(=O)N/C=C/C[C@@H]1C[C@H](O)[C@H](C)C/C=C\Cc2cccc(O)c2C(=O)O1,standard_macrolactone,12.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.349246 +26,CHEMBL2381165,,CC1(C)CC[C@@H]2CC(=O)O[C@@H](CO)CC(=O)O[C@@H]3C[C@@H](CCCCc4ccc(I)c(O)c4)O[C@@]1(C3)O2,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +27,nan,,O=C(C[C@@H]1C/C=C\C[C@H](Cc2ccc(F)cc2)C(=O)OCCNC1=O)N[C@H](CO)Cc1ccccc1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +28,nan,,C[C@@H]1CCCCC[C@H](O)C(=O)[C@H](O)CC(=O)O1,standard_macrolactone,12.0,,,success,,4.0,"[3, 9, 10, 11]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.392334 +29,nan,,C=C1C/C(=C\C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@]1(C)OC(C)=O)[C@H]23,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +30,nan,,C[C@H]1COC(=O)[C@H](CC(=O)OC(C)(C)C)C/C=C\C[C@@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)N1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +31,nan,,CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@H](C)/C=C/C=C(\C)[C@@H]1OC(=O)C[C@H](OC(C)=O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C\[C@@H]1C,standard_macrolactone,12.0,,,success,,6.0,"[3, 4, 7, 8, 8, 11]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.442180 +32,nan,,C[C@@H]1CCC[C@@H](O)CC(=O)c2c(O)cc(O)cc2CC(=O)O1,standard_macrolactone,12.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.460231 +33,nan,,O=C(C[C@@H]1C/C=C\CCC(=O)OC[C@H](Cc2ccccc2)NC1=O)N[C@@H](CO)Cc1ccccc1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +34,nan,,C/C=C1\C[C@H](C)[C@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@H](OC1=O)[C@@H]23,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +35,nan,,C[C@H]1CCC(=O)[C@@H](O)CC(=O)c2c(O)cc(O)cc2CC(=O)O1,standard_macrolactone,12.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.490508 +36,CHEMBL524666,,O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)C(O)(O)C2(O)O3,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +37,nan,,C/C=C1\C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@@](C)(O)[C@H](C)[C@@H]1O)[C@H]23,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +38,nan,,COC(=O)[C@@H]1CSCc2c(O)cc(O)c(C)c2C(=O)OC[C@H](NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C(=O)N1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +39,nan,,CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@H](C)/C=C/C=C(\C)[C@@H]1OC(=O)[C@H](C)[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C\[C@H]1C,standard_macrolactone,12.0,,,success,,7.0,"[3, 4, 7, 8, 8, 11, 12]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.553014 +40,nan,,O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@@H](O3)[C@@H](OC(=O)c3cc(O)c(O)c4c3[C@H]3C1=CC(=O)C(O)(O)[C@@]3(O)O4)[C@@H]2OC(=O)c1cc(O)c(O)c(O)c1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +41,CHEMBL1730563,,O=C1NC[C@H](c2ccccc2)OC(=O)[C@@H](Cc2ccc(F)cc2)C/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +42,nan,,C/C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +43,nan,,CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@H](C)/C=C/C=C(\C)[C@@H]1OC(=O)C[C@H](O)CCC[C@@H](O)/C=C\[C@@H]1C,standard_macrolactone,12.0,,,success,,4.0,"[3, 4, 7, 11]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.604710 +44,nan,,CC(=O)O[C@@]1(C)C(=O)OC/C2=C/CN(C)CC[C@H](OC(=O)[C@@]3(C[C@@H]1C)O[C@@H]3C)C2=O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +45,nan,,CC[C@H]1C(=O)O[C@H]2CCNC/C=C(/COC(=O)[C@@](C)(O)[C@H](C)[C@@H]1O)C2=O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +46,nan,,CC(C)(C)OC(=O)C[C@H]1C/C=C\C[C@H](CC(=O)NCCO)C(=O)NC[C@@H](c2ccccc2)OC1=O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +47,nan,,CC[C@H](O)C[C@H]1O[C@@H]1C[C@@H](C)/C=C/C=C(\C)[C@@H]1OC(=O)C[C@H](O)CC[C@](C)(O)[C@@H](OC(C)=O)/C=C\[C@@H]1C,standard_macrolactone,12.0,,,success,,6.0,"[3, 4, 7, 8, 8, 11]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.667437 +48,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)/C=C\[C@]1(C)O,standard_macrolactone,12.0,,,success,,8.0,"[3, 4, 4, 7, 8, 10, 11, 12]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.712613 +49,nan,,CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1,standard_macrolactone,12.0,,,success,,6.0,"[3, 7, 8, 9, 10, 11]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.756811 +50,nan,,O=C(O)C[C@H]1C(=O)O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2c(cc(O)c(O)c2O)[C@H]1[C@H](O)C(=O)O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +51,CHEMBL39858,,CCCCCCC[C@H]1OC(=O)C[C@@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +52,CHEMBL1879879,,C[C@@H]1COC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C/C=C\C[C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +53,CHEMBL39969,,CCCCCCC[C@H]1OC(=O)C[C@@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)OC(=O)[C@H]1C,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +54,nan,,CC(=C/C(C)=C/C[C@@H](O)C[C@H](C)O)/C=C(C)\C=C\C(=O)O[C@H]1CCCC(=O)O[C@@H]([C@@H](C)C/C(C)=C/[C@@H](C)[C@H](O)C[C@@H](C)O)C/C=C(/C)C[C@@H]1C,standard_macrolactone,12.0,,,success,,4.0,"[3, 6, 8, 9]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.817790 +55,nan,,CC/C=C\C=C/CC[C@]1(C)C[C@H](O)[C@H](C)CC[C@H]2C[C@@H](C[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](O)[C@H]3OC)C[C@@](O)(CC(=O)O1)O2,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +56,CHEMBL35924,,CCCCCCC[C@@H]1CC(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)[C@H](O)CC(=O)O1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +57,nan,,CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2C[C@H]3C=C[C@H]4[C@@H]5CC(=O)O[C@@H](C(C)C)CCC[C@H](O[C@H]6CC[C@H](N(C)C)[C@@H](C)O6)[C@@H](C)C(=O)C5=C[C@H]4[C@@H]3C2)[C@H](OC)[C@@H]1OC,standard_macrolactone,12.0,,,success,,6.0,"[3, 7, 8, 9, 10, 11]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.874630 +58,nan,,C[C@@H]1C[C@](O)([C@@H](C)Cl)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +59,nan,,C/C=C1/CC[C@@](C)(OC(C)=O)C(=O)OC[C@@]2(O)CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +60,nan,,COC(=O)[C@H]1OC(=O)c2cc(O)c(O)c(O)c2[C@@H]1[C@H](CC(=O)O)C(=O)O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +61,nan,,O=C(Oc1c(O)cc(C(=O)O[C@@H]2O[C@@H]3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)O[C@H]([C@H]2O)[C@@H]3O)cc1O)c1cc(O)c(O)c(O)c1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +62,nan,,C/C=C1/C[C@]2(CO2)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +63,CHEMBL1714949,,CC(C)(C)OC(=O)C[C@H]1C/C=C\C[C@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)COC1=O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +64,nan,,CCOc1cc(O)c2c(c1)CCCCCCC[C@@H](C)OC2=O,standard_macrolactone,12.0,,,failed,non-ring atom 3 marked aromatic,,,ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.937596 +65,CHEMBL3260944,,CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)/C(C)=C\CCc3coc(/C=C\CNC(=O)OC)n3)C[C@H](CC(=O)O1)O2,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +66,nan,,CO[C@H]1[C@H](C)O[C@@H](O[C@H]2C[C@@]3(O)CC(=O)O[C@](C)(CC/C=C/C=C/Br)C[C@@H](O)[C@H](C)CC[C@H](O3)[C@@H]2C)[C@H](O)[C@@H]1OC,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +67,nan,,CO[C@@H]1/C=C(/C)C[C@H](/C=C/C#C[C@H]2C[C@@H]2Cl)OC(=O)[C@@H](C)[C@]2(O)C[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@](C)(O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@](C)(O)[C@H]3OC)[C@@H](C)[C@@H](O2)[C@@H]1C,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +68,nan,,C=CCOc1cc(O)c2c(c1)CCCCCCC[C@@H](C)OC2=O,standard_macrolactone,12.0,,,failed,non-ring atom 4 marked aromatic,,,ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:31.975893 +69,nan,,CO[C@H]1CC(=O)C/C=C\[C@@H](O)CC(=O)O[C@H](C)C1,standard_macrolactone,12.0,,,success,,4.0,"[3, 5, 7, 11]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:32.022132 +70,nan,,C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +71,nan,,CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@H](C)/C=C/C=C(\C)[C@@H]1OC(=O)C[C@H](O)CC[C@](C)(O)[C@@H](OC(C)=O)/C=C\[C@@H]1C,standard_macrolactone,12.0,,,success,,6.0,"[3, 4, 7, 8, 8, 11]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:32.066182 +72,nan,,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@@H]3C(=CO[C@@H](O[C@H]4O[C@@H](CO)[C@H](OC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@@H]4O)[C@@H]3C=C)C(=O)OCC[C@H]21,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +73,nan,,C[C@H]1C[C@H](C)[C@H](O)[C@H](C)C(=O)O[C@H]([C@H](C)O)[C@@H](C)/C=C\C1=O,standard_macrolactone,12.0,,,success,,7.0,"[3, 4, 7, 8, 10, 11, 12]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:32.113175 +74,nan,,CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2C[C@H]3O[C@@](O)(C2)[C@H](C)C(=O)O[C@@H](/C=C/C=C/Br)C/C(C)=C\C(=O)C3(C)C)[C@H](OC)[C@@H]1O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](O)[C@H]1OC,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +75,nan,,CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2C[C@@H]3CC[C@@H](C)[C@H](O)C[C@@](C)(/C=C/C=C\Br)OC(=O)C[C@](O)(C2)O3)[C@H](OC)[C@@H]1OC,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +76,CHEMBL3260943,,CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)CCCCc3coc(CCCNC(=O)OC)n3)C[C@H](CC(=O)O1)O2,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +77,nan,,C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +78,nan,,CO[C@H]1[C@H](C)O[C@@H](O[C@H]2C[C@H]3[C@@H]4C=C5C(=O)[C@H](C)[C@@H](O)CCC[C@H](/C=C/[C@H](C)O)OC(=O)C[C@H]5[C@@H]4C=C[C@@H]3[C@@H]2O)[C@H](OC)[C@@H]1OC,standard_macrolactone,12.0,,,success,,6.0,"[3, 7, 8, 9, 10, 11]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:32.179547 +79,nan,,O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]3[C@H]1OC(=O)c1cc(O)c(O)c(O)c1[C@H]1C(=O)[C@H](O)C[C@@]1(O)C(=O)O[C@@H]32)c1cc(O)c(O)c(O)c1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +80,nan,,CC(=O)O[C@@]1(C)C(=O)OC/C2=C/CN(C)CC[C@@H](OC(=O)[C@@](O)([C@@H](C)Cl)C[C@H]1C)C2=O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +81,nan,,O=C1OC[C@@H]2O[C@H](OC(=O)c3cc(O)c(O)c(O)c3-c3c1cc(O)c(O)c3O)[C@H]1OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]1[C@H]2O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +82,nan,,C[C@H]1CCC(=O)[C@@H]2CC(=O)c3c(cc(O)cc3O2)CC(=O)O1,non_standard_macrocycle,12.0,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +83,nan,,C=C1C(=O)O[C@H]2CC(=O)n3ccc(c32)COC(=O)[C@](C)(OC(C)=O)[C@@H](C)[C@@H]1C,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +84,nan,,CC(=O)C[C@]1(O)C(=O)C=C2C(=O)O[C@H]3[C@@H]4OC(=O)c5cc(O)c(O)c(O)c5-c5c(cc(O)c(O)c5O)C(=O)OC[C@H]3O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H]4OC(=O)c3cc(O)c(O)c4c3[C@H]2[C@@]1(O)O4,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +85,nan,,CCCCC[C@@H]1OC(=O)c2cc(ccc2C)Oc2ccc(O)c(C=O)c2/C=C\[C@@H]1O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +86,nan,,CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2C[C@H]3C=C[C@H]4[C@@H]5CC(=O)O[C@@H](C)CCC[C@H](O[C@H]6CC[C@H](N(C)C)[C@@H](C)O6)[C@@H](C)C(=O)C5=C[C@H]4[C@@H]3C2)[C@H](OC)[C@@H]1OC,standard_macrolactone,12.0,,,success,,6.0,"[3, 7, 8, 9, 10, 11]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:32.266083 +87,CHEMBL1551810,,CC(C)(C)[C@@H]1COC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C/C=C\C[C@@H](CC(=O)NCCO)C(=O)N1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +88,nan,,O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]([C@H]1O)[C@@H]2OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +89,nan,,CO[C@@H]1/C=C(/C)C[C@H](/C=C/C#C[C@H]2C[C@@H]2Cl)OC(=O)[C@@H](C)[C@]2(O)C[C@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@](C)(O)[C@H]4OC)[C@@](C)(O)[C@H]3OC)[C@@H](C)[C@@H](O2)[C@@H]1C,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +90,CHEMBL3215313,,C=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2C2C(O)(O3)C3(O)OC4(C(=O)OC5C(O)COC54O)C12CC3=O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +91,nan,,C[C@@H]1C(=O)OCC(=O)N(C)[C@@H](Cc2ccccc2)[C@@H](O)CC(=O)O[C@@H]1C,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +92,nan,,C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@@H]3C(=CO[C@@H](O[C@H]4O[C@@H](CO)[C@H](OC(=O)/C=C\c5ccc(O)cc5)[C@@H](O)[C@@H]4O)[C@@H]3C=C)C(=O)OCC[C@H]21,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +93,nan,,COc1cc2cc(c1Cl)N1CC(=O)C(C)(O)C(=O)N(C)C(C)C(=O)O[C@@H](CC1=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2OC,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +94,nan,,COC(=O)[C@@H]1CSCc2c(O)cc(O)c(C)c2C(=O)OCC(NC(=O)[C@H]2C(O)CCN2C(=O)OC(C)(C)C)C(=O)N1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +95,nan,,C/C=C1/C[C@@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +96,nan,,C[C@@H]1C[C@@]2(C)CC(=O)O[C@@H]3CCN4CC[C@H](COC(=O)[C@]1(C)O2)[C@H]34,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +97,CHEMBL1727544,,O=C(C[C@@H]1C/C=C\C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@@H](Cc2ccccc2)NC1=O)NCCO,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +98,nan,,CCC(=O)/C(C)=C/[C@H](O)C[C@@H](C)/C=C/C=C(\C)[C@H]1OC(=O)C[C@@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)/C=C\[C@@H]1C,standard_macrolactone,12.0,,,success,,6.0,"[3, 4, 7, 8, 8, 11]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:32.371987 +99,nan,,CC[C@H]1O[C@H]1C[C@](C)(O)/C=C/C=C(\C)[C@@H]1OC(=O)C[C@H](O)CC[C@](C)(O)[C@@H](OC(C)=O)/C=C\[C@@H]1C,standard_macrolactone,12.0,,,success,,6.0,"[3, 4, 7, 8, 8, 11]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:32.409528 +100,nan,,C=C[C@@H]1[C@@H]2[C@@H]3/C=C\CC(=O)O[C@@]45C[C@@H](C)[C@@]6(O)[C@@H](C=C(CO)C[C@]7(O)C(=O)C(C)=C[C@H]76)[C@@H]4[C@@]5(C)COC(=O)[C@H]3[C@@H](/C=C/C=C/C=C/C=C/CCC)[C@@H]21,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +101,CHEMBL1079558,,O=C(C[C@H]1C/C=C/CCC(=O)O[C@@H](c2ccccc2)CNC1=O)NCc1ccc(Cl)cc1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +102,nan,,CCC(=O)O[C@H]1/C=C\[C@H](C)[C@H](/C(C)=C/C=C/[C@H](C)C[C@H]2O[C@@H]2[C@H](C)[C@@H](O)CC)OC(=O)C[C@H](O)CC[C@]1(C)O,standard_macrolactone,12.0,,,success,,6.0,"[3, 4, 7, 8, 8, 11]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:32.465657 +103,nan,,CC(C)(C)OC(=O)C[C@H]1C/C=C\C[C@H](CC(=O)NCCO)C(=O)NC[C@H](c2ccccc2)OC1=O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +104,nan,,C/C=C1/C[C@@H](C)[C@@H](O)C(=O)OC/C2=C/CN(C)CC[C@@H](OC1=O)C2=O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +105,nan,,C[C@@H]1CCCCCCCc2cc(OC(=O)c3ccc(Br)cc3)cc(OC(=O)c3ccc(Br)cc3)c2C(=O)O1,standard_macrolactone,12.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:32.498502 +106,nan,,C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@@H]23,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +107,CHEMBL3623739,,O=C(C#Cc1ccccc1)N/C=C/C[C@H]1C[C@@H](O)CC/C=C/Cc2cccc(O)c2C(=O)O1,standard_macrolactone,12.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_12/standard/numbered/CHEMBL3623739_numbered.png,2026-03-19 02:40:32.525375 +108,nan,,O=C1OCC(O)C(C2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC2C4O)OC(=O)c2cc(O)c(O)c(O)c2-c2cc1c(O)c(O)c2O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +109,nan,,CC(C)(C)OC(=O)C[C@H]1C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC[C@H](c2ccccc2)OC1=O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +110,CHEMBL1669768,,Cc1ccc(S(=O)(=O)Oc2cc3c(c(OS(=O)(=O)c4ccc(C)cc4)c2)C(=O)O[C@H](C)CCCCCCC3)cc1,standard_macrolactone,12.0,,,failed,non-ring atom 9 marked aromatic,,,ring_size_12/standard/numbered/CHEMBL1669768_numbered.png,2026-03-19 02:40:32.560378 +111,nan,,O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)CO[C@H]([C@H]1O)[C@@H]2OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +112,nan,,C/C=C1/C[C@@H](C)[C@](C)(O)C(=O)OC[C@H]2CCN3CC[C@H](OC1=O)[C@@H]23,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +113,CHEMBL1710965,,O=C(N[C@@H]1C/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC[C@@H](c2ccccc2)OC1=O)OCC1c2ccccc2-c2ccccc21,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +114,nan,,CC/C=C\C=C/C(=O)N/C=C\C[C@H]1C[C@@H](O)[C@@H](C)C/C=C/Cc2ccc(F)c(O)c2C(=O)O1,standard_macrolactone,12.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:32.602819 +115,nan,,CC(C)(C)[C@H]1COC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C/C=C\C[C@@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)N1,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +116,nan,,C[C@@H]1CCC[C@H](O)CC(=O)c2c(O)cc(O)cc2CC(=O)O1,standard_macrolactone,12.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:32.631438 +117,nan,,C[C@H]1C[C@@](O)([C@H](C)O)C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@@]1(C)O)[C@H]23,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +118,nan,,CC[C@H](O)[C@@H](C)[C@@H]1O[C@@H]1C[C@@H](C)/C=C/C=C(\C)[C@@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](O)/C=C\[C@@H]1C,standard_macrolactone,12.0,,,success,,6.0,"[3, 4, 7, 8, 8, 11]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:32.679522 +119,nan,,O=C(C[C@@H]1C/C=C\C[C@@H](Cc2ccc(F)cc2)C(=O)OC[C@@H](Cc2c[nH]c3ccccc23)NC1=O)NCCO,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +120,nan,,C/C=C1\C(=O)OC2CCN3CCC(COC(=O)C(C)(O)C(C)C1O)C23,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +121,nan,,C=C(C#N)CO[C@@H]1O[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]([C@@H]1O)[C@@H]2O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +122,nan,,CC(=O)O[C@H]1/C=C\[C@H](C)[C@@H](/C(C)=C/C=C/[C@H](C)C[C@@H](C)/C=C(\C)[C@H](O)[C@H](C)O)OC(=O)C[C@@H](O)CC[C@@]1(C)O,standard_macrolactone,12.0,,,success,,6.0,"[3, 4, 7, 8, 8, 11]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:32.740763 +123,nan,,COc1cc2c(c(OC)c1)C(=O)O[C@H](C)CCCCCCC2,standard_macrolactone,12.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:32.760483 +124,nan,,CC(C)(C)OC(=O)C[C@@H]1C/C=C\C[C@H](CC(=O)NCCO)C(=O)N2CCC[C@@H]2COC1=O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +125,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H]([N+](C)(C)[O-])[C@@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C\[C@]1(C)O,standard_macrolactone,12.0,,,success,,8.0,"[3, 4, 4, 7, 8, 10, 11, 12]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:32.815619 +126,nan,,CC(C)(C)OC(=O)C[C@H]1C/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@@H](c2ccccc2)COC1=O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +127,nan,,CCC[C@@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)C(=O)[C@H]1C,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +128,CHEMBL1606783,,CC(=O)C[C@H](O)CC(=O)[C@H]1OC(=O)CCCCCCCc2ccccc21,standard_macrolactone,12.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_12/standard/numbered/CHEMBL1606783_numbered.png,2026-03-19 02:40:32.846679 +129,nan,,CC/C=C/[C@H]1CCC[C@H](O[C@H]2C[C@@H](OC)[C@H](OC)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)[C@@H](O)[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1,standard_macrolactone,12.0,,,success,,6.0,"[3, 7, 8, 9, 10, 11]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:32.892376 +130,nan,,CC[C@H]1OC(=O)[C@@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@@H](C)C[C@H](C)C(=O)/C=C\[C@@H]1C,standard_macrolactone,12.0,,,success,,7.0,"[3, 4, 7, 8, 10, 11, 12]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:32.933748 +131,nan,,O=C1C[C@]2(O)OC(=O)[C@H](OC1=O)[C@H]2c1c(C(=O)O[C@H]2[C@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@@H](O[C@@H]2OC(=O)c2cc(O)c(O)c(O)c2)[C@H]3O)cc(O)c(O)c1O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +132,nan,,O=C(O)C[C@@H]1C(=O)O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]1[C@H](O)C(=O)O3,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +133,nan,,C/C=C1/C[C@@H](C)[C@@](O)(CO)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@H]23,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +134,nan,,C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +135,nan,,C/C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@@]23O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +136,nan,,COc1cc(O)cc2c1C(=O)O[C@H](C)[C@@H](O)CCCCCC2,standard_macrolactone,12.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:32.986647 +137,nan,,C/C=C1/C[C@H](C)[C@@](C)(OC(C)=O)C(=O)OCc2ccn3c2[C@H](CC3=O)OC1=O,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +138,nan,,CCC(=O)C[C@H](O)C/C=C(C)/C=C(C)/C=C(C)/C=C/C(=O)O[C@H]1CCCC(=O)O[C@@H]([C@@H](C)C/C(C)=C/[C@@H](C)[C@H](O)C[C@@H](C)O)C/C=C(/C)C[C@@H]1C,standard_macrolactone,12.0,,,success,,4.0,"[3, 6, 8, 9]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:33.025130 +139,nan,,C=C1C(=O)OCC2=CCN3CC[C@@H](OC(=O)[C@](C)(O)[C@]4(CO4)[C@H]1C)[C@@H]23,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +140,CHEMBL8097,,CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)OC(=O)[C@H]1C,non_standard_macrocycle,12.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +141,nan,,CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2C[C@H]3C=C[C@H]4[C@@H]5CC(=O)O[C@@H](C6CC6)CCC[C@H](O[C@H]6CC[C@H](N(C)C)[C@@H](C)O6)[C@@H](C)C(=O)C5=C[C@H]4[C@@H]3C2)[C@H](OC)[C@@H]1OC,standard_macrolactone,12.0,,,success,,6.0,"[3, 7, 8, 9, 10, 11]",ring_size_12/standard/numbered/nan_numbered.png,2026-03-19 02:40:33.079019 +142,nan,,O=C(C[C@H]1C/C=C\CC[C@@H](Cc2ccc(F)cc2)C(=O)OC[C@H]2CCCN2C1=O)N[C@H](CO)Cc1ccccc1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +143,nan,,CCCC[C@H](C)[C@@H]1CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)C(=O)N[C@H]([C@H](C)CC)C(=O)O1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +144,CHEMBL1710668,,O=C1NC[C@H](c2ccccc2)OC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +145,nan,,C[C@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)CCCC(=O)NCCCCCCO)C[C@H]2[C@H](O)/C=C/C(=O)O1,standard_macrolactone,13.0,,,success,,4.0,"[3, 9, 10, 11]",ring_size_13/standard/numbered/nan_numbered.png,2026-03-19 02:40:33.126908 +146,nan,,CO[C@@H]1[C@H](O[C@H]2[C@H](OC)CO[C@@H](O[C@H]3C[C@H]4CC(=O)[C@@]5(O)O[C@H](C[C@H]5C)C(C)(C)[C@@H](/C=C/C=C/C=C/C(C)C)OC(=O)C[C@H](O4)[C@@H]3C)[C@@H]2OC)O[C@@H](C)[C@@H](O)[C@@H]1OC,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +147,nan,,CCCCC(C)CC1NC(=O)C(C)NC(=O)C(Cc2ccccc2)NC(=O)CC(C(C)C)OC1=O,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +148,nan,,C[C@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C\C[C@H](CC(=O)NCCO)C(=O)N1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +149,nan,,CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@@H](C)O2)C(C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([N+](C)(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +150,nan,,C/C=C1\NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)N[C@H](C)C(C)=O)[C@@H](C)OC1=O,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +151,nan,,CO[C@@H]1/C=C/C(=O)O[C@@H](C)CCC/C=C\[C@@H]2C[C@H](O)C[C@H]21,standard_macrolactone,13.0,,,success,,4.0,"[3, 9, 10, 11]",ring_size_13/standard/numbered/nan_numbered.png,2026-03-19 02:40:33.189318 +152,nan,,C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H]([Se]c2ccccc2)CC(=O)O1,standard_macrolactone,13.0,,,success,,5.0,"[3, 9, 10, 11, 12]",ring_size_13/standard/numbered/nan_numbered.png,2026-03-19 02:40:33.229387 +153,nan,,O=C1/C=C/[C@@H](O)[C@@H]2C[C@@H](O)C[C@H]2/C=C/CCCCO1,standard_macrolactone,13.0,,,success,,3.0,"[9, 10, 11]",ring_size_13/standard/numbered/nan_numbered.png,2026-03-19 02:40:33.260312 +154,nan,,O=C(C[C@H]1C/C=C\CC[C@H](Cc2ccc(F)cc2)C(=O)O[C@@H](c2ccccc2)CNC1=O)N[C@H](CO)Cc1ccccc1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +155,nan,,CCCC[C@H](C)[C@@H]1CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc2ccccc2)C(=O)O1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +156,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +157,nan,,COc1ccc(C[C@H]2NC(=O)[C@]34OC(=O)O/C=C\[C@](C)(O)C(=O)[C@H](C)C/C=C\[C@@H]3[C@@H](O)C(C)=C(C)[C@H]24)cc1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +158,nan,,CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H]1C)[C@@H](C)CC)[C@@H](C)CC,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +159,CHEMBL383015,RADANAMYCIN,COc1c(O)cc2c(O)c1CC(C)OC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)N2,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +160,nan,,CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H]1C)[C@@H](C)CC)[C@@H](C)CC,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +161,nan,,C[C@H]1CCC/C=C\[C@@H]2CC(=O)C[C@H]2[C@H](O)/C=C\C(=O)O1,standard_macrolactone,13.0,,,success,,4.0,"[3, 9, 10, 11]",ring_size_13/standard/numbered/nan_numbered.png,2026-03-19 02:40:33.353492 +162,nan,,CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC)C(=O)N[C@@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H]1C)[C@@H](C)CC)[C@H](C)CC,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +163,nan,,C/C=C1\CC(c2cc(CO)cc(NCC(O)C3CCCCC3)c2)C#CC2CC(=O)Oc3cc(O)c(cc32)CC(C(C)(O)C2CCC(=O)CC2)OC1=O,standard_macrolactone,13.0,,,failed,non-ring atom 4 marked aromatic,,,ring_size_13/standard/numbered/nan_numbered.png,2026-03-19 02:40:33.386167 +164,nan,,CCCC[C@H](C)[C@@H]1CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +165,nan,,O=C1CCC/C=C\CCOC(=O)c2c(O)cc(O)c(Cl)c2C1,standard_macrolactone,13.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_13/standard/numbered/nan_numbered.png,2026-03-19 02:40:33.413691 +166,nan,,O=C(C[C@H]1C/C=C\CC[C@@H](Cc2ccc(F)cc2)C(=O)OC[C@H]2CCCN2C1=O)N[C@@H](CO)Cc1ccccc1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +167,CHEMBL1079179,,COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)/C=C\[C@H](C)[C@H](C)OC2=O,standard_macrolactone,13.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_13/standard/numbered/CHEMBL1079179_numbered.png,2026-03-19 02:40:33.440899 +168,nan,,CC(C)CCCCCCCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H]1COC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)[C@@H](C)O,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +169,nan,,COc1ccc(S[C@@H]2CC(=O)O[C@@H](C)CCC/C=C/[C@@H]3C[C@H](O)C[C@H]3[C@@H]2O)cc1,standard_macrolactone,13.0,,,success,,5.0,"[3, 9, 10, 11, 12]",ring_size_13/standard/numbered/nan_numbered.png,2026-03-19 02:40:33.487728 +170,nan,,C/C1=C/C(=O)O[C@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@H](C)C1)[C@H]23,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +171,nan,,CCN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H]([C@H](C)O)[C@@](C)(O)[C@H](O)[C@@H](C)C3=C(C)C[C@@]2(C)O3)[C@@H]1O,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +172,nan,,C[C@@H]1C/C(CO)=C\CC(=O)O[C@H](C)C/C=C\C(=O)O1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +173,nan,,CC(=O)O[C@@H]1/C=C/C(=O)O[C@@H](C)CCC/C=C\[C@@H]2C[C@H](O)C[C@H]21,standard_macrolactone,13.0,,,success,,4.0,"[3, 9, 10, 11]",ring_size_13/standard/numbered/nan_numbered.png,2026-03-19 02:40:33.541516 +174,nan,,CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +175,nan,,C/C=C1\CC(c2cc(CO)cc(NCC(C)(O)CCOC)c2)C#CC2CC(=O)Oc3cc(O)c(cc32)CC(C2(O)CCCC3CC(=O)CCC32)OC1=O,standard_macrolactone,13.0,,,failed,non-ring atom 4 marked aromatic,,,ring_size_13/standard/numbered/nan_numbered.png,2026-03-19 02:40:33.567109 +176,nan,,CCCC[C@H](C)[C@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +177,nan,,CC(C)(C)[C@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +178,nan,,COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)/C=C\[C@H](C)[C@@H](C)OC2=O,standard_macrolactone,13.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_13/standard/numbered/nan_numbered.png,2026-03-19 02:40:33.600388 +179,nan,,C/C=C1\CC(c2cc(CO)cc(NCC(C)O)c2)C#CC2CC(=O)Oc3cc(O)c(cc32)CC(C2(O)CCC3CCC4CC(=O)CC3C42)OC1=O,standard_macrolactone,13.0,,,failed,non-ring atom 4 marked aromatic,,,ring_size_13/standard/numbered/nan_numbered.png,2026-03-19 02:40:33.626020 +180,nan,,CC(C)CCC[C@H]1CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)O1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +181,nan,,C[C@H]1CCC/C=C\[C@@H]2C[C@@H](O)C[C@H]2[C@H](O)/C=C\C(=O)O1,standard_macrolactone,13.0,,,success,,4.0,"[3, 9, 10, 11]",ring_size_13/standard/numbered/nan_numbered.png,2026-03-19 02:40:33.668586 +182,nan,,CCNCC/C=C1\CC(c2cc(CO)cc(NCC(C)O)c2)C#CC2CC(=O)Oc3cc(O)c(cc32)CC(C2(O)CCCC3CC(=O)CCC32)OC1=O,standard_macrolactone,13.0,,,failed,non-ring atom 4 marked aromatic,,,ring_size_13/standard/numbered/nan_numbered.png,2026-03-19 02:40:33.690633 +183,nan,,CCCCCC(CC(=O)N1N=CCCC1C(=O)N[C@H]1COC(=O)[C@H]2CCCNN2C(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)NC1=O)C(=O)O,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +184,CHEMBL26966,,CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC(N(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +185,nan,,CCCCCC[C@H](C)[C@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +186,nan,,CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@@H](C)O2)C(C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([N+](C)(C)CC)[C@H]2O)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +187,nan,,CC1CCCC=CC2CC(OC(=O)CN(C)C)CC2C(O)C=CC(=O)O1,standard_macrolactone,13.0,,,success,,4.0,"[3, 9, 10, 11]",ring_size_13/standard/numbered/nan_numbered.png,2026-03-19 02:40:33.754982 +188,nan,,Nc1ccc(CC[C@H]2CCC/C=C/[C@@H]3C[C@H](O)C[C@H]3[C@H](O)/C=C/C(=O)O2)cc1,standard_macrolactone,13.0,,,success,,4.0,"[3, 9, 10, 11]",ring_size_13/standard/numbered/nan_numbered.png,2026-03-19 02:40:33.787696 +189,nan,,CCCCCC[C@@H](C)[C@@H]1OC(=O)[C@H](CO)NC(=O)[C@H](C(=O)c2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H]1C,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +190,CHEMBL1087150,,O=C(C[C@H]1C/C=C/CCCC(=O)O[C@H](c2ccccc2)CNC1=O)NCc1ccc(Cl)cc1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +191,nan,,CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC)C(=O)N[C@@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC/N=C(\N(C)C)N2CCOCC2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H]1C)[C@@H](C)CC)[C@@H](C)CC,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +192,nan,,CC[C@H](C)[C@H](NC(=O)[C@H](N)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H]1C)[C@@H](C)CC)[C@H](C)CC,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +193,nan,,O=C1CCC/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC[C@H](c2ccccc2)O1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +194,nan,,COc1ccc(C[C@H]2NC(=O)[C@]34OC(=O)O/C=C\[C@@](C)(O)C(=O)[C@@H](C)C/C=C\[C@H]3[C@H]3O[C@@]3(C)[C@@H](C)[C@H]24)cc1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +195,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@@](C)(O)C[C@@H](C)C2=C(C)C(=O)[C@@]1(C)O2,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +196,nan,,C[C@H]1COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +197,nan,,O=C(C[C@H]1C/C=C/CC[C@@H](Cc2ccc(F)cc2)C(=O)OC[C@H](c2ccccc2)NC1=O)NCCO,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +198,nan,,C/C=C1\CC(c2cc(CO)cc(NCC(C)O)c2)C#CC2CC(=O)Oc3cc(O)c(cc32)CC(C2(O)CCCC3CC(=O)CCC32)OC1=O,standard_macrolactone,13.0,,,failed,non-ring atom 4 marked aromatic,,,ring_size_13/standard/numbered/nan_numbered.png,2026-03-19 02:40:33.872086 +199,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)C[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)CC)[C@H]2O)[C@@]2(C)C[C@H](C)[C@H](O2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +200,nan,,C/C1=C/C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@H](C)C1)[C@H]23,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +201,CHEMBL1987060,,CC1CCC/C=C/C2CC(O)CC2C(O)/C=C/C(=O)O1,standard_macrolactone,13.0,,,success,,4.0,"[3, 9, 10, 11]",ring_size_13/standard/numbered/CHEMBL1987060_numbered.png,2026-03-19 02:40:33.917870 +202,nan,,CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC)C(=O)N[C@@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H]1C)[C@@H](C)CC)[C@H](C)CC,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +203,nan,,C/C=C1\CC(c2cc(CO)c(CCCCC)c(NCC(C)O)c2)C#CC2CC(=O)Oc3cc(O)c(cc32)CC(C(C)(O)C2CCC(=O)CC2)OC1=O,standard_macrolactone,13.0,,,failed,non-ring atom 4 marked aromatic,,,ring_size_13/standard/numbered/nan_numbered.png,2026-03-19 02:40:33.947731 +204,nan,,CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)O1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +205,nan,,CC(=O)C[C@H](O)CC(=O)[C@@H]1OC(=O)CCCCCCCCc2ccccc21,standard_macrolactone,13.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_13/standard/numbered/nan_numbered.png,2026-03-19 02:40:33.973884 +206,nan,,COC(=O)c1ccccc1S[C@@H]1CC(=O)O[C@@H](C)CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O,standard_macrolactone,13.0,,,success,,5.0,"[3, 9, 10, 11, 12]",ring_size_13/standard/numbered/nan_numbered.png,2026-03-19 02:40:34.011665 +207,nan,,C=C1/C=C\[C@@H]([C@H](C)C(=C)C)OC(=O)C[C@]2(O)O[C@@H](CC(=C)[C@H]2C)[C@@H]2O[C@H]2C1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +208,nan,,O=C(C[C@H]1C/C=C\CC[C@@H](Cc2ccc(F)cc2)C(=O)O[C@@H](c2ccccc2)CNC1=O)N[C@H](CO)Cc1ccccc1,non_standard_macrocycle,13.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +209,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCc3ccccc3)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:34.086679 +210,nan,,CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OCC#Cc2cc(-c3ncccn3)no2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,14.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:34.155661 +211,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)/C(=N\C(C)=O)[C@H](C)[C@@H](OC/C(=N\Oc3ccc(-n4cccn4)nc3)CO2)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:34.220547 +212,CHEMBL3092224,,CC(=O)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H]5C=CC(=O)[C@]6(COC(=O)CC/C=C/CCC(=O)O5)[C@H]4CC[C@@]32C)OC1=O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +213,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)[C@@H](N)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:34.291937 +214,nan,,CCC(=O)O[C@H]1[C@@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@@H](O)[C@@H]3OC(=O)[C@@H](C)[C@@H](C)c4ncccc4C(=O)OC[C@]4(C)O[C@]2([C@H](OC(=O)c2ccccc2)[C@@H]14)[C@@]3(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +215,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCCSc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:34.363164 +216,CHEMBL1256555,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3CCC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C,standard_macrolactone,14.0,,,success,,12.0,"[3, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL1256555_numbered.png,2026-03-19 02:40:34.423149 +217,nan,,CCCCCNC(=O)CCCCCNC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:34.486850 +218,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C/C=C/Cn3cnc(-c4cccnc4)c3)C(=O)N[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:34.552989 +219,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2ccccn2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCCCOc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:34.617837 +220,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H]2[C@@H]1OC(=O)N2CCCCn1cnc(-c2cccnc2)c1,standard_macrolactone,14.0,,,success,,12.0,"[3, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:34.682083 +221,CHEMBL1078360,,COc1ccc(CO[C@@H]2/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/c3cc(OC)cc(O)c3C(=O)O[C@H]2C)cc1,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/CHEMBL1078360_numbered.png,2026-03-19 02:40:34.702935 +222,nan,,C=CCCC(=O)O[C@@H]1[C@@H](C)C(=O)[C@H](C)C[C@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:34.773410 +223,CHEMBL1097413,,C[C@@H]1OC(=O)c2c(O)cc(NCc3ccccc3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/CHEMBL1097413_numbered.png,2026-03-19 02:40:34.793204 +224,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC(=O)NC/C=C/c2ccc(-c3ncccn3)cc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:34.859993 +225,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)/C(=N\OCC#Cc2ccccn2)[C@H](C)[C@H]2OC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:34.925811 +226,nan,,CC[C@@H]1OC(=O)C[C@@H](O[C@H]2C[C@@](C)(O)[C@H](O)[C@@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@H]1C,standard_macrolactone,14.0,,,success,,11.0,"[3, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:34.982921 +227,CHEMBL1256546,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C[C@@H](C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL1256546_numbered.png,2026-03-19 02:40:35.046811 +228,nan,,C[C@H]1CCCC(=O)CCC/C=C\c2cc(O)cc(O)c2C(=O)O1,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:35.065403 +229,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)/C(=N\OC/C=C/c2cncc3ccccc23)[C@H](C)[C@@H]2OC(=O)O[C@@]21C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:35.129994 +230,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCc3ccnc4ccccc34)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:35.208905 +231,nan,,COc1cc(O)c2c(c1)/C=C/CCCC(=O)CCC[C@H](C)OC2=O,standard_macrolactone,14.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:35.227879 +232,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)/C(=N\C(C)=O)[C@H](C)[C@@H](OC/C(=N\OCCc3ccccc3)CO2)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:35.293262 +233,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cnccc1[C@H](C)[C@](C)(O)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(=O)c1ccccc1)[C@]4(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +234,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(=O)c3cccnc3)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +235,CHEMBL1097699,,C[C@@H]1OC(=O)c2c(O)cc(NCCO)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/CHEMBL1097699_numbered.png,2026-03-19 02:40:35.327313 +236,nan,,CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2C[C@H]3O[C@@](O)(C2)[C@H](C)C(=O)O[C@@H](/C=C/C=C/Br)C[C@@H](C)/C=C\C[C@H](O)[C@@H]3C)[C@H](OC)[C@@H]1OC,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +237,CHEMBL1214761,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(-c4cn(CCCCCCCC(=O)NO)nn4)cc3)[C@H]2O)[C@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL1214761_numbered.png,2026-03-19 02:40:35.398223 +238,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cnccc1[C@H](C)[C@](C)(O)C(=O)O[C@@H]([C@H](OC(=O)c1ccco1)[C@@H]2OC(C)=O)[C@]4(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +239,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NCCCC(=O)NC3CCCCC3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:35.472089 +240,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]3O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2OC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:35.538594 +241,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C,standard_macrolactone,14.0,,,success,,12.0,"[3, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:35.593630 +242,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC/C=C/c2cncnc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)/C(=N\OCc2ccccc2)[C@H](C)[C@H]2OC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:35.657430 +243,nan,,C/C(=C/C=C\C[C@H](O)C[C@@H]1CCC[C@H]2O[C@@](O)(CC[C@@H]3CC[C@H](O3)C(=O)O1)[C@H](O)[C@@H](O)[C@@H]2C)C/C=C\C=C/CCO,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +244,CHEMBL418067,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C3CCCCC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL418067_numbered.png,2026-03-19 02:40:35.730020 +245,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@]4(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +246,nan,,CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)/C(=N\C(C)=O)[C@H](C)[C@@H](OC/C(=N\OCc3ccc(-c4csnn4)nc3)CO2)[C@]1(C)O,standard_macrolactone,14.0,,,success,,14.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:35.804268 +247,CHEMBL1097784,,C[C@@H]1OC(=O)c2c(O)cc(OCCn3ccnn3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/CHEMBL1097784_numbered.png,2026-03-19 02:40:35.823332 +248,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](O)[C@@H]2OC(C)=O)[C@]4(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +249,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)/C(=N\OCCNCCCCNCc2ccc(Oc3ccccc3)cc2)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:35.894319 +250,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCCC2CCCCC2)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:35.959621 +251,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(C)=O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(=O)NNCc2cccc([N+](=O)[O-])c2)[C@](C)(O)C[C@@H](C)/C(=N\OCCCC2CCCCC2)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:36.028068 +252,nan,,COc1ccc(C2CC(=O)Oc3cc4c(c(OC)c32)C(=O)OC(C)CCCC(=O)CCCC=C4)cc1OC(C)C,standard_macrolactone,14.0,,,failed,non-ring atom 12 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:36.047820 +253,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)C[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)C[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,11.0,"[3, 4, 4, 5, 7, 8, 10, 10, 11, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:36.106469 +254,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2CCCC2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC(=O)NC/C=C/c2ccc(-c3ncccn3)cc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:36.172522 +255,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:36.237282 +256,nan,,C=C1/C=C(\C)[C@H](CC)OC(=O)[C@@H](C)C(=O)[C@](C)(CO)C/C(OC)=C/[C@@H](C)C1,standard_macrolactone,14.0,,,success,,9.0,"[3, 4, 6, 8, 10, 12, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:36.288148 +257,CHEMBL12589,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2CCNC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL12589_numbered.png,2026-03-19 02:40:36.359845 +258,CHEMBL532,ERYTHROMYCIN,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL532_numbered.png,2026-03-19 02:40:36.425161 +259,CHEMBL313882,,C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/OCC(=O)NC2CCCCC2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/CHEMBL313882_numbered.png,2026-03-19 02:40:36.445554 +260,CHEMBL3392931,,CC[C@@H]1OC(=O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@@](C)(O)C[C@H](C)C(=O)[C@@H](C)[C@H](O)[C@@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL3392931_numbered.png,2026-03-19 02:40:36.510991 +261,nan,,CC[C@H]1OC(=O)C(C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC(=O)N/C=C/c2ccc(-c3ccccn3)cc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:36.577538 +262,nan,,CCCCCCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](OC(=O)CCCCCCC)[C@@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:36.643489 +263,nan,,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(N)C(C)C(OC(=O)O)C1(C)OC(=O)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:36.709010 +264,nan,,COc1cc(O)c2c(c1)/C=C/C[C@@H]1OC(C)(C)O[C@@H]1C(=O)/C=C\C[C@H](C)OC2=O,standard_macrolactone,14.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:36.729567 +265,nan,,COc1cc(O)c2c(c1)CCCC(O)C(O)C(=O)C=CCC(C)OC2=O,standard_macrolactone,14.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:36.749161 +266,CHEMBL1669776,,CC(=O)Oc1cc2c(c(OC(C)=O)c1)C(=O)OCCCCCCCCCC2,standard_macrolactone,14.0,,,failed,non-ring atom 4 marked aromatic,,,ring_size_14/standard/numbered/CHEMBL1669776_numbered.png,2026-03-19 02:40:36.768202 +267,nan,,C=C[C@]12OC(=O)N(CCCCn3cc(Cl)c4ncccc43)[C@@H]1[C@@H](C)C(=O)[C@H](C)C[C@@](C)(OC)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@@H](C)C(=O)[C@@H](C)C(=O)O[C@@H]2CC,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:36.838462 +268,nan,,CCCCNC(=O)O[C@H]1[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@@H](C)[C@@H](OC)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:36.907387 +269,nan,,COC1C=CCCC=CC(=O)OC(C(C)C(=O)CCCC2CC(=O)NC(=O)C2)C(C)=CC(C)C1O,standard_macrolactone,14.0,,,success,,5.0,"[3, 4, 6, 7, 8]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:36.942840 +270,nan,,CC(=O)OCC12C(OC(C)=O)C(=O)C3C(O)C14OC3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)OC(C(OC(C)=O)C2OC(C)=O)C4(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +271,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCSc3nc(-c4ccccc4)cs3)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:37.015232 +272,nan,,C[C@H]1COC(=O)CC=C[C@@H](C)[C@@H]2C=C[C@H](O)[C@@H](COC1=O)O2,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +273,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)C(C)C)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC(=O)NC/C=C/C=C/c2cccnc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:37.087017 +274,CHEMBL3650149,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)CN2CCOCC2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(=O)CN(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)C2N(CCCOc3cc(C(=O)Nc4c(Cl)cncc4Cl)ccc3OC)C(=O)O[C@@]21C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL3650149_numbered.png,2026-03-19 02:40:37.157227 +275,CHEMBL1651523,,COc1cc(O)c2c(c1)CCCCCC(=O)/C=C\C[C@H](C)OC2=O,standard_macrolactone,14.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_14/standard/numbered/CHEMBL1651523_numbered.png,2026-03-19 02:40:37.176038 +276,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](NC)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:37.243281 +277,nan,,CC[C@H](C)[C@@]1(O)CC(=O)O[C@H](C)[C@@](O)(C(C)C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +278,nan,,COc1cc(O)c2c(c1Br)C(=O)OCC(=O)NCC(=S)N[C@H](c1nc(C)no1)CSC2,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +279,nan,,CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)/C(C)=C/[C@]1(C)O,standard_macrolactone,14.0,,,success,,11.0,"[3, 4, 4, 6, 7, 8, 10, 10, 11, 12, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:37.312175 +280,nan,,COc1cc(O)c2c(c1Br)C(=O)OCCNCC(=O)N[C@H](c1nc(C)no1)CSC2,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +281,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(=O)[C@@H](C)[C@H](C)c4ncccc4C(=O)OC[C@]4(C)O[C@]1([C@H](OC(C)=O)[C@@H]4C(=O)[C@@H]2OC(C)=O)[C@@]3(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +282,nan,,COc1cc(O)c(Cl)c2c1C(=O)OC(C)CCC(=O)CCC(OC)CC(=O)C2,standard_macrolactone,14.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:37.344747 +283,nan,,CC(C)[C@@]1(O)C(=O)OCC2=CCN3CC[C@@H](OC(=O)[C@@](O)(C(C)C)[C@@H](O)C(=O)O[C@@H]1C)[C@@H]23,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +284,nan,,CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC(N)=O)C[C@@H](C)/C(=N\O)[C@H](C)[C@H]2NC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,14.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:37.418505 +285,CHEMBL2375656,,COc1cc(O)c2c(c1)CC(=O)CCCC(=O)CCC[C@@H](C)OC2=O,standard_macrolactone,14.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_14/standard/numbered/CHEMBL2375656_numbered.png,2026-03-19 02:40:37.438378 +286,nan,,C[C@H]1C[C@H]2O[C@@H]2CC/C=C\C(=O)Cc2cc(O)cc(O)c2C(=O)O1,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:37.458452 +287,CHEMBL1256537,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC3CC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL1256537_numbered.png,2026-03-19 02:40:37.523218 +288,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2cccnc2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:37.586570 +289,CHEMBL1214762,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(-c4cn(CCCCCCCCC(=O)NO)nn4)cc3)[C@H]2O)[C@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL1214762_numbered.png,2026-03-19 02:40:37.649117 +290,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(O)C(O)C(C)O2)[C@H](C)[C@@H](OC2OC(C)CC(N(C)C)C2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:37.712314 +291,CHEMBL1668417,,COc1cc(O)c2c(c1)/C=C\CCCC(=O)C[C@H](Br)C[C@H](C)OC2=O,standard_macrolactone,14.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_14/standard/numbered/CHEMBL1668417_numbered.png,2026-03-19 02:40:37.732631 +292,nan,,CCCCCCCCCCCCC(=O)O[C@H]1[C@H](C)OC(O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)/C(=N\OCCCOc3ccccc3)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:37.803599 +293,nan,,COc1ccc(OC)c(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCCC=C4)c1,standard_macrolactone,14.0,,,failed,non-ring atom 15 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:37.824539 +294,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)NCc2ccccc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@@H](C)[C@@H](OC)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:37.891702 +295,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC(=O)NC/C=C/c2ccc3cccnc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2CC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:37.956244 +296,nan,,CO[C@@]12CC[C@@H]3CC[C@H](O3)C(=O)O[C@H](C[C@@H](O)C/C=C\C=C(\C)C/C=C\C=C/CCO)CCC[C@@H](O1)[C@@H](C)[C@H](O)[C@H]2O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +297,nan,,C=CCN(C)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](OC(=O)Cc3cccnc3)[C@@H](C)C(=O)O[C@H](CC)[C@@]3(C)OC(=O)N(CCCCn4ccc5cccnc54)[C@@H]3[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)OC)[C@@H]1O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:38.030082 +298,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2ccccn2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc4ncccc43)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:38.096932 +299,nan,,CCCNC(=O)CCCNC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:38.160606 +300,nan,,CC[C@H](C)[C@]1(O)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)OC(=O)[C@@H]1O)[C@H]23,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +301,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OCC#Cc2ccc(-c3ccccn3)s2)C[C@@H](C)/C(=N\OC)[C@H](C)[C@H]2NC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:38.239298 +302,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cc(-c4ccccn4)nn3)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:38.309954 +303,nan,,C/C=C/C(=O)OC1C(OC(=O)c2ccc(=O)n(C)c2)C2OC(=O)C(C)C(C)c3ncccc3C(=O)OCC3(C)OC4(C(OC(C)=O)C3C(OC(C)=O)C(OC(C)=O)C14COC(C)=O)C2(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +304,nan,,O=C1CCCCCCCCCCCCO1,standard_macrolactone,14.0,,,success,,0.0,[],ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:38.335906 +305,CHEMBL1078777,,CC[C@H]1C/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/c2cc(OC)cc(O)c2C(=O)O1,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/CHEMBL1078777_numbered.png,2026-03-19 02:40:38.355464 +306,nan,,C=C1NC(=O)[C@@H](C)[C@@H](CC[C@@H](C)C(=O)/C=C/C(C)=C/C[C@@H](C)CCCCCCC)OC(=O)[C@H](C[C@@H](OS(=O)(=O)O)C(N)=O)NC(=O)[C@@H](C)CNC1=O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +307,nan,,C=CCO[C@@H]1C[C@@H](C)C(=O)[C@H](C)[C@H]2OC(=O)O[C@]2(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC(=O)COc2ccccc2)[C@H](C)[C@H]1OC1O[C@H](C)C[C@H](N(C)C)[C@H]1O,standard_macrolactone,14.0,,,success,,12.0,"[3, 4, 4, 5, 6, 7, 8, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:38.424355 +308,nan,,COc1c2c(cc3c1C(c1cc4cc(C)ccc4n(CC(C)C)c1=O)CC(=O)O3)C=CCCCC(=O)CCCC(C)OC2=O,standard_macrolactone,14.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:38.444333 +309,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC/C=C/c2cccc3cccnc23)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:38.511028 +310,nan,,C[C@@H]1OC(=O)c2c(O)cc(NOCC(=O)O)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:38.530159 +311,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NCCCc3ccccc3)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:38.594803 +312,nan,,O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)O[C@H]3[C@H](O)O[C@@H]2COC(=O)c2cc(O)c(O)c3oc(=O)c4cc(O)c(O)c(c4c23)Oc2c1cc(O)c(O)c2O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +313,CHEMBL2159138,,CC/N=C1\O[C@H]2[C@H](O[C@@H]3[C@@H](C)[C@H](O[C@H]4C[C@@](C)(OC)[C@@H](O)[C@H](C)O4)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]3(C)OC)O[C@H](C)C[C@@H]2N1C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL2159138_numbered.png,2026-03-19 02:40:38.677283 +314,CHEMBL1099011,,CCCOc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O,standard_macrolactone,14.0,,,failed,non-ring atom 4 marked aromatic,,,ring_size_14/standard/numbered/CHEMBL1099011_numbered.png,2026-03-19 02:40:38.697262 +315,nan,,COc1cc(O)c2c(c1Br)C(=O)OCCN(C(=O)[C@H](C)N)CC(=O)N[C@H](c1nc(C)no1)CSC2,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +316,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NNC(=O)c3ccc4[nH]c(-c5ccccc5)nc4c3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:38.771340 +317,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@@H](OC2OC(C)CC(N(C)C)C2O)[C@](C)(O)C[C@@H](C)[C@H](NCC#Cc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:38.834263 +318,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OCC#Cc2cnc3ccccc3c2)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:38.898243 +319,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C\[C@]1(C)O,standard_macrolactone,14.0,,,success,,10.0,"[3, 4, 4, 7, 8, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:38.949088 +320,nan,,COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCCC=C4)c(OC)c1OC,standard_macrolactone,14.0,,,failed,non-ring atom 12 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:38.969336 +321,CHEMBL1256547,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC(C)(C)O)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL1256547_numbered.png,2026-03-19 02:40:39.044828 +322,nan,,C=CCO[C@@H]1C[C@@H](C)C(=O)[C@H](C)[C@H]2OC(=O)O[C@]2(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC(=O)Cc2ccc(Cl)cc2)[C@H](C)[C@H]1OC1O[C@H](C)C[C@H](N(C)C)[C@H]1O,standard_macrolactone,14.0,,,success,,12.0,"[3, 4, 4, 5, 6, 7, 8, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:39.113830 +323,nan,,COc1cc(O)c(Cl)c2c1C(=O)O[C@@H](C)CCC(=O)CC/C=C\C(=O)C2,standard_macrolactone,14.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:39.133220 +324,nan,,CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)/C(=N\C(C)=O)[C@H](C)[C@@H](OC/C(=N\OCc3ccc(C(N)=O)s3)CO2)[C@]1(C)O,standard_macrolactone,14.0,,,success,,14.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:39.202537 +325,nan,,COc1cc(O)c2c(c1)/C=C\C[C@H](O)[C@@H](O)C(=O)CCC[C@H](C)OC2=O,standard_macrolactone,14.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:39.222801 +326,CHEMBL276217,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@H]2CC(C)C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL276217_numbered.png,2026-03-19 02:40:39.293670 +327,CHEMBL584552,,CCNC(=O)CO[C@H]1[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL584552_numbered.png,2026-03-19 02:40:39.359538 +328,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(C)=O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCCc2cccs2)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:39.424699 +329,nan,,CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@]3(CO3)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@H]2C)O[C@@H](C)[C@@H]1O,standard_macrolactone,14.0,,,success,,12.0,"[3, 4, 5, 6, 7, 8, 8, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:39.485735 +330,nan,,CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)/C(=N\C(C)=O)[C@H](C)[C@@H](OC/C(=N\OCc3cccc(C(N)=O)c3)CO2)[C@]1(C)O,standard_macrolactone,14.0,,,success,,14.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:39.553385 +331,CHEMBL416337,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2CCN(C)C2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL416337_numbered.png,2026-03-19 02:40:39.619554 +332,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(C)=O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCC2CCCCC2)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:39.683636 +333,nan,,CCOCCCNC(=O)O[C@H]1[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@@H](C)[C@@H](OC)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:39.748027 +334,nan,,CCCC(=O)O[C@H]1[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCCCOc2ccccc2)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:39.811652 +335,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(=O)c1ccccc1)[C@]4(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +336,nan,,C=C1NC(=O)C(C)C(CCC(C)C(=O)C=CC(C)=CCC(C)CCCCCCC)OC(=O)[C@H](CC(OS(=O)(=O)O)C(N)=O)NC(=O)[C@@H](C)CNC1=O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +337,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)/C(=N\C(C)=O)[C@H](C)C(OC/C(=N\OCc3cc(-c4cccc(C#N)n4)no3)CO2)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:39.891983 +338,nan,,C[C@H]1CCCC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:39.910667 +339,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](O)[C@@H]2OC(C)=O)[C@]4(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +340,nan,,CCOC(=O)c1cn(CC)c2ccc(CCCN3CCN(CCC(=O)O[C@H]4[C@H](C)O[C@@H](O[C@H]5[C@H](C)[C@@H](O[C@@H]6O[C@H](C)C[C@H](N(C)C)[C@H]6O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]5C)C[C@@]4(C)OC)CC3)cc2c1=O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:39.985337 +341,nan,,CC(=O)O[C@@H]1[C@H](OC(=O)C(C)C)[C@@H]2[C@@H](OC(C)=O)[C@@]34O[C@@]2(C)COC(=O)c2cccnc2C[C@@H](C)C(=O)O[C@@H]([C@H](OC(=O)c2ccc(=O)n(C)c2)[C@H](OC(C)=O)[C@@]13COC(=O)C(C)C)[C@]4(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +342,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](NC)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:40.057885 +343,CHEMBL1315430,,CCC1OC(=O)C(C)[C@@H](O[C@H]2C[C@@](C)(OC)C(O)C(C)O2)C(C)[C@@H](O[C@@H]2OC(C)CC(N(C)C)C2O)[C@@](C)(O)CC(C)C(=O)[C@@H](C)C(O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL1315430_numbered.png,2026-03-19 02:40:40.120731 +344,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2ccccn2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)/C(=N\OC/C=C/c2ccc(NC(=O)Cc3ccccn3)nc2)[C@H](C)[C@H]2OC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:40.186449 +345,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NNC(=O)c3ccc4[nH]c(-c5ccc(C)cc5)nc4c3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:40.252482 +346,CHEMBL4068569,,COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C(F)=C\C[C@H](C)OC2=O,standard_macrolactone,14.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_14/standard/numbered/CHEMBL4068569_numbered.png,2026-03-19 02:40:40.272167 +347,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O/C=C\Cc2cncnc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)/C(=N\OCc2ccccc2Cl)[C@H](C)[C@H]2OC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:40.337843 +348,CHEMBL59405,,O=C(NC(Cc1ccccc1)C(O)CN1C/C=C\CCCCCCCC(c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +349,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC/C=C/c2cccc3cccnc23)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:40.409464 +350,nan,,CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)/C(=N/C(C)=O)[C@H](C)[C@@H](OC/C(=N/OCc3ccc(-c4cccc(N)n4)s3)CO2)[C@]1(C)O,standard_macrolactone,14.0,,,success,,14.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:40.477318 +351,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)NCc2ccc(Br)cc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@@H](C)[C@@H](OC)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:40.540590 +352,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC/C=C/c2cccc3ncccc23)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:40.605576 +353,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2ccccn2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)/C(=N\OC/C=C/c2ccnc(NC(=O)Cc3ccccn3)c2)[C@H](C)[C@H]2OC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:40.672639 +354,CHEMBL3967300,,C[C@@H]1OC(=O)c2c(O)cc(N3CCNC3=O)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/CHEMBL3967300_numbered.png,2026-03-19 02:40:40.691969 +355,nan,,CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](C)OC(=O)[C@@H](C)CNC(=O)[C@@H](C)NC1=O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +356,nan,,CCCCCCCCCCCCCCCCO/N=C1/[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H]1C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:40.763278 +357,nan,,COc1ccc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCCC=C4)cc1OC,standard_macrolactone,14.0,,,failed,non-ring atom 12 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:40.782894 +358,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2cccnc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc4ncccc43)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:40.849363 +359,nan,,C=CCO[C@@H]1[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)C(=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]3(C)OC(=O)O[C@H]3[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)OC)[C@H](O)[C@H]1N(C)C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:40.912144 +360,nan,,C[C@@H]1/C=C\[C@@H](C)[C@H](/C=C/C#C/C=C/C(C)(C)[C@H](O)c2cccc(O)c2Br)OC(=O)/C=C\C[C@H](C)C[C@H](OC(N)=O)C1,standard_macrolactone,14.0,,,success,,5.0,"[3, 4, 7, 9, 11]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:40.947112 +361,nan,,CC1CCCC(=O)CCCC=Cc2cc3c(c(O)c2C(=O)O1)C(c1cccc2ccccc12)CC(=O)O3,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:40.966430 +362,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCN(C)Cc3ccccc3)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:41.031399 +363,nan,,CCCCCCC(=O)O[C@H]1[C@H](C)OC(O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)/C(=N\OCCCOc3ccccc3)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:41.100937 +364,nan,,CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C,standard_macrolactone,14.0,,,success,,12.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:41.167066 +365,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2cccnc2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)/C(=N\O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:41.236465 +366,nan,,C[C@@H]1C/C=C\C(=O)O[C@H](C)C[C@@H](O)C/C=C\C(=O)O1,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +367,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCSc3nncs3)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:41.311335 +368,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OCCNCc2ccccc2)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:41.381027 +369,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCc3ccnc4c(OC)cccc34)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:41.446660 +370,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1C[C@@H](C)C(=O)O[C@@H]([C@H](OC(=O)c1ccc(=O)n(C)c1)[C@@H]2OC(C)=O)[C@]4(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +371,nan,,CCCCC[C@H]1CCCCC[C@@H](O)C[C@H](O)[C@H](O)/C=C/C(=O)O1,standard_macrolactone,14.0,,,success,,4.0,"[3, 9, 11, 12]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:41.486791 +372,nan,,C[C@@H]1C[C@@H](O)/C=C\CCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:41.506440 +373,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2C(NC(=O)CCCCc3cnc4c(OC)cccc4c3)C(=O)O[C@@]21C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:41.572884 +374,nan,,CC[C@H]1OC(=O)[C@H](C)C(O[C@H]2C[C@](C)(OC)[C@@H](O)[C@@H](C)O2)[C@H](C)C(O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCOc2ccc(OC)cc2)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:41.637433 +375,nan,,CC/C=N/C(=O)CCCCCNC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:41.702176 +376,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)O[C@@H]([C@H](O)[C@@H]2OC(C)=O)[C@]4(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +377,nan,,COc1cc(OCC(=O)NC(C)C)cc2c1C(=O)OC(C)CCCC(=O)CCCCC2,standard_macrolactone,14.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:41.731233 +378,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@@H](OC2OC(C)CC(N(C)C)C2O)[C@](C)(O)C[C@@H](C)[C@H](N(C)C(C)C)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:41.801516 +379,nan,,COc1cc2c(c(OC)c1)C(=O)O[C@@H](C)CCC[C@@H](O)CCCCC2,standard_macrolactone,14.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:41.821495 +380,nan,,CCC(=O)O[C@H]1[C@@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@@H](O)[C@@H]3OC(=O)[C@@H](C)[C@@H](C)c4ncccc4C(=O)OC[C@]4(C)O[C@@]2([C@H](OC(=O)c2ccccc2)[C@@H]14)[C@@]3(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +381,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2ccncc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC3CC3)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:41.895772 +382,nan,,CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NC/C=C/c3ccc(NC(C)=O)cc3)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,12.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:41.956968 +383,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)O[C@@H]([C@H](OC(=O)c1cccnc1)[C@@H]2OC(C)=O)[C@]4(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +384,nan,,COC(=O)c1ccc(COc2cc(O)c3c(c2)C=CCCCC(=O)CCCC(C)OC3=O)o1,standard_macrolactone,14.0,,,failed,non-ring atom 10 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:41.983734 +385,nan,,COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C3CC(=O)Oc4cc5c(c(OC)c43)C(=O)OC(C)CCCC(=O)CCCC=C5)o2)c1,standard_macrolactone,14.0,,,failed,non-ring atom 23 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:42.003932 +386,CHEMBL83070,,C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/OCC(=O)N2CCCCCC2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/CHEMBL83070_numbered.png,2026-03-19 02:40:42.024741 +387,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)/C(=N\OCCNCCN2CCCC2)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:42.087466 +388,nan,,CCOC(=O)c1cn(C2CC2)c2ccc(CCCN3CCN(CCC(=O)O[C@H]4[C@H](C)O[C@@H](O[C@H]5[C@H](C)[C@@H](O[C@@H]6O[C@H](C)C[C@H](N(C)C)[C@H]6O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]5C)C[C@@]4(C)OC)CC3)cc2c1=O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:42.154199 +389,nan,,CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](OC(C)=O)[C@@H](C)C(=O)[C@@]3(CO3)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@H]2C)O[C@@H](C)[C@@H]1OC(C)=O,standard_macrolactone,14.0,,,success,,12.0,"[3, 4, 5, 6, 7, 8, 8, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:42.215673 +390,nan,,C=C(CCC[C@@H](O)C[C@H](C)O)C[C@@H]1CC(=C)C[C@H](O)C/C(C)=C\[C@@H](O)CCCC(=O)O1,standard_macrolactone,14.0,,,success,,5.0,"[3, 5, 7, 9, 11]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:42.249971 +391,nan,,CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@]3(CO3)C[C@H](C)[C@H](O[C@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@H]2C)O[C@@H](C)[C@@H]1O,standard_macrolactone,14.0,,,success,,12.0,"[3, 4, 5, 6, 7, 8, 8, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:42.310860 +392,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)/C(=N\OCCNCCCOCCOCCOCCCNc2ccc(Oc3ccccc3)cc2)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:42.373210 +393,nan,,C=C[C@@H]1[C@H]2[C@H](/C=C/C=C/C=C/CCC)[C@H]2[C@@H]2C(=O)OC[C@]3(C)[C@H]4[C@@H]5C=C(CO)C[C@]6(O)C(=O)C(C)=C[C@H]6[C@@]5(O)[C@H](C)C[C@]43OC(=O)C/C=C\C=C[C@H]12,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +394,nan,,CCC1OC(=O)C(C)C(=O)/C(C)=C/C(C)CC(C)C(=O)/C=C/C1C,standard_macrolactone,14.0,,,success,,8.0,"[3, 4, 7, 8, 10, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:42.423894 +395,CHEMBL528543,,C/C1=C/[C@@H](C)[C@H](O)[C@@H](O)/C=C/CC/C=C/C(=O)O[C@@H]1[C@H](C)C(=O)/C=C/CC1CC(=O)NC(=O)C1,standard_macrolactone,14.0,,,success,,5.0,"[3, 4, 6, 7, 8]",ring_size_14/standard/numbered/CHEMBL528543_numbered.png,2026-03-19 02:40:42.459025 +396,CHEMBL1095163,,CCCCOc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O,standard_macrolactone,14.0,,,failed,non-ring atom 5 marked aromatic,,,ring_size_14/standard/numbered/CHEMBL1095163_numbered.png,2026-03-19 02:40:42.477865 +397,CHEMBL1094226,,C[C@@H]1OC(=O)c2c(O)cc(OCC(O)CO)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/CHEMBL1094226_numbered.png,2026-03-19 02:40:42.496102 +398,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NCCCCCC(=O)NCCc3ccc(O)cc3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:42.561316 +399,CHEMBL1256549,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCF)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL1256549_numbered.png,2026-03-19 02:40:42.624562 +400,nan,,CCCN1C(C)O[C@@H]2[C@@H](C)[C@@H]1[C@H](C)C[C@@](C)(O)[C@H](OC1OC(C)CC(N(C)C)C1O)[C@@H](C)[C@H](OC1CC(C)(OC)C(O)C(C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@]2(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:42.688426 +401,CHEMBL4061009,,COc1cc(O)c2c(c1)CCC[C@H](O)[C@H](O)[C@@H](O)CCC[C@H](C)OC2=O,standard_macrolactone,14.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_14/standard/numbered/CHEMBL4061009_numbered.png,2026-03-19 02:40:42.707924 +402,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)/C(=N\C(C)=O)[C@H](C)[C@@H](OC/C(=N\OCc3ccc(C(N)=O)s3)CO2)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:42.774289 +403,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cnccc1[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +404,nan,,COC1CC(O[C@@H]2C(C)C(=O)O[C@H](C)[C@H](C)C(OC(C)=O)C(C)C(=O)[C@]3(CO3)C[C@H](C)[C@H](OC3OC(C)CC(N(C)C)[C@H]3O)[C@H]2C)OC(C)[C@@H]1O,standard_macrolactone,14.0,,,success,,12.0,"[3, 4, 5, 6, 7, 8, 8, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:42.847466 +405,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)[C@@H](N(C)C)[C@H](C)[C@@H](O)[C@@]12CO2,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:42.918681 +406,CHEMBL1099198,,COc1cc(O)c2c(c1)OCC[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +407,nan,,CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C/C=C/Cn3cnc4cccnc43)C(=O)N[C@]12C,standard_macrolactone,14.0,,,success,,14.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:42.996124 +408,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2ccncc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3CC3)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:43.062954 +409,CHEMBL3948014,,CCNc1cc(O)c2c(c1)/C=C/C[C@@H]1OC(=O)O[C@@H]1C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O,standard_macrolactone,14.0,,,failed,non-ring atom 3 marked aromatic,,,ring_size_14/standard/numbered/CHEMBL3948014_numbered.png,2026-03-19 02:40:43.083455 +410,nan,,C[C@@H]1C[C@@H](O)CCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:43.103364 +411,nan,,CCCCCN[C@@H]1[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@@H](OC2OC(C)CC(N(C)C)C2O)[C@](C)(O)C[C@H]1C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:43.168010 +412,CHEMBL1404947,,CO[C@@H]1C[C@H](O[C@H]2[C@@H](C)[C@H](O[C@@H]3O[C@@H](C)C[C@@H](N(C)C)[C@@H]3OC(C)=O)[C@H](C)C[C@]3(CO3)C(=O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](C)OC(=O)[C@@H]2C)O[C@H](C)[C@@H]1OC(C)=O,standard_macrolactone,14.0,,,success,,12.0,"[3, 4, 5, 6, 7, 8, 8, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL1404947_numbered.png,2026-03-19 02:40:43.231096 +413,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC/C=C/c2cnc3ncccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:43.322190 +414,CHEMBL1269447,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCc2csc(C)n2)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL1269447_numbered.png,2026-03-19 02:40:43.397467 +415,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(=O)c1ccccc1)[C@H]4C,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +416,nan,,CC1C/C=C/C(O)C(O)CC/C=C/c2cc(O)cc(O)c2C(=O)O1,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:43.429644 +417,CHEMBL3734946,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccccc3-c3cn(CCCCCC(=O)NO)nn3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL3734946_numbered.png,2026-03-19 02:40:43.505189 +418,nan,,C=CCCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@](C)(O)[C@H](OC(=O)CCC=C)[C@@H](C)C(=O)[C@H](C)C[C@]2(C)O)O[C@H](C)C[C@@H]1N(C)C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:43.569857 +419,nan,,CO[C@@H]1/C=C\CC/C(C)=C\C/C(C)=C\C(=O)O[C@@H](CO)C1,standard_macrolactone,14.0,,,success,,4.0,"[3, 5, 10, 13]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:43.603493 +420,CHEMBL3986872,,C[C@@H]1OC(=O)c2c(O)cc(NCCn3ccnc3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/CHEMBL3986872_numbered.png,2026-03-19 02:40:43.629993 +421,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NCCCCCCc3ccnc4ccccc34)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:43.708347 +422,nan,,CC[C@H](C)[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](OC(C)=O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@H](OC)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C,standard_macrolactone,14.0,,,success,,11.0,"[3, 4, 5, 6, 7, 8, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:43.775057 +423,nan,,C=C1NC(=O)C(C)C(CCC(C)C(=O)/C=C/C(C)=C/CCC(C)CCCCCC)OC(=O)C(CCC(N)=O)NC(=O)C(C)CNC1=O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +424,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](OC(=O)NCCNC(=O)/C=C/c2ccc(F)cc2)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:43.850266 +425,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:43.914232 +426,nan,,COc1cc(O)c2c(c1Br)C(=O)OCC(=O)N(C)CC(=O)N[C@H](c1nc(C)no1)CSC2,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +427,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCCCOc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:43.988368 +428,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](OC(=O)NCCc3ccccc3)[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)/C(=N\OC(=O)NCCc2ccccc2)[C@H](C)[C@H]2OC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:44.059629 +429,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)/C(=N\C(C)=O)[C@H](C)[C@@H](OC/C(=N\Oc3ccc(-c4nccs4)nc3)CO2)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:44.126074 +430,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2cccnc2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)/C(=N\O)[C@H](C)[C@H]2OC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:44.192837 +431,CHEMBL3577622,,C#CCO[C@@H]1[C@@H](C)[C@H](OC(=O)NCCCCCCCNC(=N)NC(=O)NC)[C@@H](C)C(=O)O[C@H](CC)C(C)(C)[C@@H]2OC(C)(C)O[C@H]([C@@H]2C)[C@H](C)C[C@@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL3577622_numbered.png,2026-03-19 02:40:44.256920 +432,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)C(C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:44.321927 +433,CHEMBL125014,,CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCCC(CNC(=O)OCC(Cl)(Cl)Cl)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +434,CHEMBL1079557,,O=C(C[C@@H]1C/C=C/CCCCC(=O)OCCNC1=O)NCc1ccc(Cl)cc1,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +435,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NCCCCCC(=O)NCc3ccc(OC)cc3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:44.406086 +436,nan,,CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NCCc3ccccc3)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,12.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:44.471644 +437,nan,,CO[C@@H]1C[C@H]2C=C[C@H]3C[C@H]4O[C@]2(/C(C)=C\[C@@H]2COC(=O)CCC5=C(/C=C\OC[C@H](O)[C@H]2OC1=O)C(=O)OC5=O)[C@@H]3[C@@H](O)[C@H]4C,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +438,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2CCC[C@@H]2c2cccnc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:44.550263 +439,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)/C(=N\C(C)=O)[C@H](C)C(OC/C(=N\OCc3cc(-c4ccc(Br)s4)no3)CO2)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:44.617177 +440,nan,,COC(=O)c1ccc(-c2ccc(C3CC(=O)Oc4cc5c(c(O)c43)C(=O)OC(C)CCCC(=O)CCCC=C5)o2)cc1,standard_macrolactone,14.0,,,failed,non-ring atom 18 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:44.637172 +441,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc4cccnc43)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:44.715590 +442,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC/C=C/c2ccccc2)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:44.784822 +443,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Nc2nccs2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@@H](C)[C@@H](OC)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:44.860618 +444,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2CCCCO2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)C2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:44.930151 +445,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)/C(=N\OC/C=C/c2cccs2)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:44.995818 +446,CHEMBL572017,,C/C=C1/[C@H]2OC=C(C(=O)O)[C@H]1CC(=O)OC[C@H](c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](O2)[C@H](O)[C@@H](O)[C@@H]1O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +447,nan,,CO[C@]1(C)C[C@H](O[C@@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](C3CC3)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:45.070019 +448,nan,,CC[C@@H]1OC(=O)[C@@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@@](C)(O[C@@H]2C[C@H](N(C)C)[C@H](O)[C@@H](C)O2)C[C@@H](C)C(=O)[C@H](O)[C@@H](O)C1(C)C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:45.137819 +449,nan,,C[C@H]1C/C=C/[C@@H](O)[C@@H](O)CCC(O)Cc2cc(O)cc(O)c2C(=O)O1,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:45.157803 +450,nan,,CC[C@H]1OC(=O)C(C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NCCCc3ccnc4ccccc34)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:45.224348 +451,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2cccnc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCCCOc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:45.301404 +452,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)CCCCCOCC#Cc3ccc4c(c3)c(=O)c(C(=O)O)cn4CC)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:45.371483 +453,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C/C=C/Cc3ccccc3)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:45.441041 +454,nan,,C[C@H]1C/C=C/CC/C=C/C(=O)Cc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc(O)c2C(=O)O1,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:45.461900 +455,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC(=O)NN(CC)CCc2ccc(-c3ncccn3)cc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:45.531898 +456,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OCCO)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:45.600536 +457,nan,,CC1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:45.619637 +458,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@](C)(F)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,14.0,"[3, 4, 4, 5, 6, 7, 8, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:45.688221 +459,nan,,CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(=O)c1ccccc1)[C@]4(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +460,nan,,COc1cc(O)c(Cl)c2c1C(=O)O[C@@H](C)CCC(=O)CCCCC(=O)C2,standard_macrolactone,14.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:45.715285 +461,nan,,CCCCCCCN[C@@H]1[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC2CC(C)(OC)C(O)C(C)O2)[C@H](C)[C@@H](OC2OC(C)CC(N(C)C)C2O)[C@](C)(O)C[C@H]1C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:45.780717 +462,CHEMBL216252,,CCC(C)N(CC1CC1)[C@H]1C[C@@H](C)OC(O[C@@H]2[C@@H](C)[C@H](OC3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@]3(C)OC(=O)N(CCc4ccc(Cl)cc4)[C@@H]3[C@@H](C)C(=O)[C@H](C)C[C@]2(C)OC)[C@@H]1O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL216252_numbered.png,2026-03-19 02:40:45.849975 +463,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)/C(=N\OCCN(C)C)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:45.911243 +464,nan,,O=C1OCC/C=C/CC/C=C/C(=N/OCC(=O)N2CCCCC2)Cc2cc(OP(=O)(O)O)cc(O)c21,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:45.930148 +465,CHEMBL3735212,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3cccc(-c4cn(CCCCCC(=O)NO)nn4)c3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C2=NCCN3C(=O)O[C@@]1(C)[C@H]3[C@H]2C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL3735212_numbered.png,2026-03-19 02:40:45.993842 +466,CHEMBL3970233,,CN1Cc2cc(ccc2S(=O)(=O)C2CC2)NC(=O)OCc2cccc(c2)[C@@H](Nc2ccc3c(N)nccc3c2)C1=O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +467,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OCCNCCc2ccccc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:46.063701 +468,nan,,COc1cc(C2CC(=O)Oc3cc4c(c(O)c32)C(=O)OC(C)CCCC(=O)CCCC=C4)cc(OC)c1OC,standard_macrolactone,14.0,,,failed,non-ring atom 11 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:46.083366 +469,nan,,CC1C(=O)OCCCn2ccc(c2)COC(=O)C(C)(O)C1(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +470,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCSc3nc(-c4cccnc4)c[nH]3)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:46.167041 +471,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C,standard_macrolactone,14.0,,,success,,12.0,"[3, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:46.229433 +472,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4ccccc4)C3)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:46.306529 +473,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](OC(=O)NCCNC(=O)c2ccc(C(C)(C)C)cc2)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:46.368446 +474,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(NCCCc3ccnc4ccc(OC)cc34)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:46.432743 +475,nan,,CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)/C(C)=C/[C@]1(C)OC(=O)NCCCOc1ccc2ccccc2c1,standard_macrolactone,14.0,,,success,,11.0,"[3, 4, 4, 6, 7, 8, 10, 10, 11, 12, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:46.488014 +476,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2ccccn2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)/C(=N\OCC#Cc2cncc3ccccc23)[C@H](C)[C@H]2OC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:46.553099 +477,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3ccnc3)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:46.616192 +478,CHEMBL267568,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2CC(C)OC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL267568_numbered.png,2026-03-19 02:40:46.683083 +479,CHEMBL1095165,,C[C@@H]1OC(=O)c2c(O)cc(C(O)(F)F)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\[C@H]1C,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/CHEMBL1095165_numbered.png,2026-03-19 02:40:46.702677 +480,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2cccnc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC(=O)NC/C=C/c2ccc(-c3ncccn3)cc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:46.770445 +481,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC(=O)NC/C=C/c2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2CC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:46.834635 +482,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OCC#Cc2ccc(-c3nnn(C)n3)s2)C[C@@H](C)/C(=N\OC)[C@H](C)[C@H]2NC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:46.898134 +483,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +484,nan,,CC[C@H](/C=C(\C)[C@@H]1C[C@@H](OC)C[C@H](O)C(C)(C)[C@@]2(O)O[C@@H](C[C@@H](OC)[C@H](O)C(=O)O1)C[C@@H](OC)[C@H]2O)CO,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +485,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC/C=C/c2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:46.978250 +486,nan,,CC(C)(C)[C@H]1COC(=O)CCCC/C=C\C[C@H](CC(=O)NCCO)C(=O)N1,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +487,CHEMBL574429,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3CCC3)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL574429_numbered.png,2026-03-19 02:40:47.050152 +488,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(=O)c1ccccc1)[C@H]4C,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +489,CHEMBL1080987,,O=C(C[C@H]1C/C=C/CCCCC(=O)OCCNC1=O)NCc1ccc(Cl)cc1,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +490,nan,,CC[C@H]1OC(=O)C(C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC(=O)N/C=C/c2ccc(-c3cccnc3)cc2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:47.129954 +491,nan,,CC[C@H]1OC(=O)/C(C)=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(Cc3ccccc3)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,12.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:47.193218 +492,nan,,COc1cc(O)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCCCC2,standard_macrolactone,14.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:47.212983 +493,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](O)[C@@H]2OC(C)=O)[C@]4(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +494,nan,,CO[C@]1(C)C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C3CC3)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O,standard_macrolactone,14.0,,,success,,12.0,"[3, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:47.302139 +495,nan,,CC[C@H]1OC(=O)C(C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC(=O)N/C=C/c2ccc3cccnc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:47.369516 +496,nan,,C[C@H]1C/C=C/[C@@H](O)[C@@H](O)CCC(=O)Cc2cc(O)cc(O)c2C(=O)O1,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:47.390008 +497,nan,,C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/OCC(=O)N2CCC(O)CC2)Cc2c(Cl)c(O)cc(O)c2C(=O)O1,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:47.410689 +498,nan,,CCCCNC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:47.477362 +499,nan,,C[C@@H]1C[C@@H]2O[C@H]2/C=C\C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:47.497752 +500,nan,,COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@@H](O)C(=O)/C=C/C[C@H](C)OC2=O,standard_macrolactone,14.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:47.517281 +501,CHEMBL273535,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)O[C@H](C)[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL273535_numbered.png,2026-03-19 02:40:47.586091 +502,nan,,C=CCO[C@@H]1C[C@@H](C)C(=O)[C@H](C)[C@H]2OC(=O)O[C@]2(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC(=O)Cc2ccccc2Cl)[C@H](C)[C@H]1OC1O[C@H](C)C[C@H](N(C)C)[C@H]1O,standard_macrolactone,14.0,,,success,,12.0,"[3, 4, 4, 5, 6, 7, 8, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:47.651707 +503,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@]2(C)C[C@@H](C)C(=NC(C)=O)[C@H](C)C(OC/C(=N/OCc3ccccc3)CO2)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:47.720586 +504,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NNC(=O)c3ccc4[nH]c(-c5ccccc5Cl)nc4c3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:47.790492 +505,CHEMBL418256,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2C(=O)OC[C@@H]2C)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)CC3CC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/CHEMBL418256_numbered.png,2026-03-19 02:40:47.860980 +506,CHEMBL3828395,,COc1cc(O)c2c(c1)/C=C/CCC[C@@H](O)CCC[C@H](C)OC2=O,standard_macrolactone,14.0,,,failed,non-ring atom 2 marked aromatic,,,ring_size_14/standard/numbered/CHEMBL3828395_numbered.png,2026-03-19 02:40:47.880970 +507,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OCCCc2cccnc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)/C(=N\OCc2ccccc2Cl)[C@H](C)[C@H]2OC(=O)O[C@]12C,standard_macrolactone,14.0,,,success,,13.0,"[3, 4, 4, 5, 6, 7, 8, 10, 10, 11, 12, 13, 14]",ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:47.950041 +508,nan,,CC1CCCC(=O)CCCC=Cc2cc(OC(=O)c3ccccc3)cc(OC(=O)c3ccccc3)c2C(=O)O1,standard_macrolactone,14.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_14/standard/numbered/nan_numbered.png,2026-03-19 02:40:47.970281 +509,nan,,CC(=O)OC[C@]12[C@H](O)C(=O)[C@@H]3[C@@H](O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O,non_standard_macrocycle,14.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +510,CHEMBL1774639,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCN(CCC#N)C(=S)NCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +511,CHEMBL3774592,,C=C1/C=C/C(=O)N(C)CC(=O)N[C@@H]([C@H](O)C(N)=O)C(=O)O[C@@H]([C@H](C)CCCCCCCCCCCCC(C)C)[C@H](C)C(=O)N1,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +512,CHEMBL89179,,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCc2cccnc2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +513,CHEMBL89747,,CCOC(=O)N1CCN(C(=O)CNC(=O)[C@@H]2CCCCN(C)C(=O)OCCC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N2)CC1,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +514,CHEMBL2029743,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNCc2ccc3ccccc3n2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +515,nan,,CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H]2[C@@H](OC(C)=O)[C@@]34O[C@@]2(C)COC(=O)c2cccnc2CC[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)c2ccccc2)[C@H](OC(C)=O)[C@@]13CO)[C@]4(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +516,nan,,CC(C)[C@@H]1OC(=O)C(C)(C)[C@@H](O)[C@@H](Cc2ccccc2)OC(=O)[C@@H](C(C)C)OC(=O)[C@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +517,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OCC(O)CNCCCCc2ccccn2)C[C@@H](C)NC(=O)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +518,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +519,nan,,C=CCO[C@]1(C)C[C@@H](C)NC(=O)[C@H](C)[C@H](O)[C@@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +520,CHEMBL4068622,,C=C1/C=C/C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCOC(=O)CP(=O)(OCC)OCC)C(=O)N1,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +521,nan,,CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(I)cc2)NC1=O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +522,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cnccc1CCC(C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +523,CHEMBL3218564,,CCCC[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)O2,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +524,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@](O)(C#CCN(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +525,CHEMBL1774293,,CCNC(=O)N1C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +526,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NCc3cn(Cc4ccccc4)nn3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](OC(=O)NCc2ccncc2)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +527,nan,,CC[C@H]1OC(=O)[C@H](C)[C@H]2OC3(CCN(Cc4ccncc4)CC3)O[C@](C)(C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@H]2C,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +528,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NCc3cn(Cc4ccc(C)cc4)nn3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](OC(=O)NCc2ccccc2)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +529,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]3[C@H]2OC(=Nc2ccc(OC)cc2)N3C)[C@](C)(OC)C[C@@H](C)C(=O)N[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +530,nan,,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(OC(=O)CNCCCNCCOCCNc3cc4c(=O)c(C(=O)O)cn(C5CC5)c4cc3Cl)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +531,nan,,CO/C1=C(/C(C)C)CC/C=C(/C)C2OC(C)(O)C3C(=O)O/C(=C(/C)CCC(C)OC1=O)C23,standard_macrolactone,15.0,,,success,,8.0,"[3, 6, 7, 8, 9, 10, 14, 15]",ring_size_15/standard/numbered/nan_numbered.png,2026-03-19 02:40:48.189815 +532,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@@H]3OC(=O)[C@@H](C)CCc4ncccc4C(=O)OC[C@]4(C)O[C@]1([C@H](O)[C@@H]4[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@@]3(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +533,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(=O)c1ccccc1)[C@]4(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +534,nan,,CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3[C@@H](OC(C)=O)[C@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@@H](C)C(=O)O[C@H]([C@@H](OC(=O)c1ccco1)[C@H]2OC(C)=O)[C@]4(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +535,CHEMBL89034,,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCOCC2)CCCCN(C)C(=O)OCCC[C@@H]1C(=O)NO,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +536,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)CN(CC)CC)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)N[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +537,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NCc3cn(Cc4ccc(C)cc4)nn3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](OC(=O)NCc2ccc(OC)cc2)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +538,nan,,CC[C@H](C)[C@@H]1OC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)/C(C)=C\[C@@H]1C,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +539,CHEMBL3601578,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(Cc2ccc(-c3cn(CCn4ccc5cc([N+](=O)[O-])ccc54)nn3)cc2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +540,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)CCOCCNc3cc4c(=O)c(C(=O)OC(C)C)cn(C5CC5)c4cc3Cl)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +541,nan,,COc1c(Br)cc2cc1Oc1ccc(cc1)CC(O)COC(=O)CC2,non_standard_macrocycle,15.0,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +542,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@@](C)(OC(C)=O)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)[C@]4(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +543,CHEMBL553625,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCN(CCC#N)C(=S)NCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +544,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NCc3ccc(F)cc3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](OC(=O)NCCc2ccccc2Cl)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +545,nan,,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(OC(=O)CNCCCNCCOCCOCCNc3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +546,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@](C)(OC(C)=O)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +547,nan,,CC[C@@H]1CCC(=O)O[C@H]2[C@H](C)[C@@]34O[C@](C)(COC(=O)c5cccnc51)[C@@H]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)[C@@H]4OC(C)=O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +548,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cnccc1CC[C@@](C)(O)C(=O)O[C@@H]([C@H](OC(=O)c1ccco1)[C@@H]2OC(C)=O)[C@@]4(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +549,CHEMBL3775644,,C=C1/C=C/C(=O)N(C)CC(=O)N[C@H]([C@@H](O)C(=O)OC)C(=O)O[C@@H]([C@H](C)CCCCCCCCCCCC(C)C)[C@H](C)C(=O)N1,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +550,CHEMBL1682468,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc(Cl)cc2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +551,nan,,CO[C@]1(C)C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(OC)C[C@@H](C)[C@H](O)[C@H](C)CN(C)C[C@H](COc3ccc(-c4cccnc4)cc3)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +552,nan,,CC(C)C[C@@H]1OC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC1=O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +553,CHEMBL1682595,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NC2CC3C=CC2C3)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +554,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@](O)(CN(CCO)CCO)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +555,CHEMBL539222,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCN(CCC#N)C(=S)NCCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +556,CHEMBL313936,,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCCc2ccccn2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +557,CHEMBL557551,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NCCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +558,CHEMBL553222,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)NC(=O)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +559,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OCC(O)CNCCc2ccccc2)C[C@@H](C)NC(=O)[C@H](C)[C@H](O)[C@@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +560,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)CCOCCOc3cc4c(=O)c(C(=O)OCOC(=O)C(C)(C)C)cn(C5CC5)c4cc3Cl)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +561,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NCCO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@H]2OC(=O)O[C@]12C,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +562,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OCCCOCCCCc3cc4c5c(c3)c(=O)c(C(=O)O)cn5C(C)(C)CO4)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +563,CHEMBL3775914,,COC(=O)[C@H](O)[C@H]1NC(=O)CN(C)C(=O)/C=C/[C@@H](CO)NC(=O)[C@H](C)[C@@H]([C@@H](C)CCCCCCCCCCCC(C)C)OC1=O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +564,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@](O)(CNC(C)(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +565,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NC(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +566,CHEMBL431008,,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCN(C)CC2)CCCCN(C)C(=O)OCCC[C@@H]1C(=O)NO,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +567,nan,,C=CCO[C@]1(C)C[C@@H](C)NC(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC(=O)CCN2CCN(c3ccc(F)cc3)CC2)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +568,CHEMBL315276,,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCN(C)CC2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +569,nan,,CC[C@H]1OC(=O)[C@H](C)[C@H]2OC3(CCN(CCc4cccc(OC)c4)CC3)O[C@](C)(C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@H]2C,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +570,CHEMBL1682576,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccccc2F)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +571,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +572,nan,,CC[C@H]1OC(=O)[C@H](C)[C@H]2OC3(CCN(C(=O)c4cc5ccccc5[nH]4)CC3)O[C@](C)(C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@H]2C,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +573,CHEMBL1682465,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2cccc3nsnc23)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +574,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)[C@@]2(O)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](O)C[C@@]32C)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +575,CHEMBL1682451,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2cccc3nsnc23)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +576,CHEMBL3352926,,C=C1/C=C/C(=O)N(C)CC(=O)NC(C(O)C(N)=O)C(=O)OC(C(C)CCCCCCCCCCCCC(C)C)C(C)C(=O)N1,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +577,CHEMBL350938,,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc3ccccc3)NC2=O)cc1Cl,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +578,CHEMBL2029761,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Cc2cccc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +579,nan,,CC[C@H]1OC(=O)[C@H](C)[C@H]2OC3(CCN(C(=O)c4cccnc4)CC3)O[C@](C)(C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@H]2C,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +580,CHEMBL2029589,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNc2ccnc3cc(Cl)ccc23)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +581,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NCCCCNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](OC(=O)NCc2ccc(F)c(F)c2)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +582,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NCc3cn(Cc4ccccc4)nn3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +583,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NCc3cn(Cc4ccccc4Cl)nn3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +584,CHEMBL1682453,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +585,CHEMBL541735,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCN(CCC#N)C(=O)NC(C)C)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +586,nan,,O=C1CCc2ccc(O)c(c2)Oc2ccc(cc2)[C@H]2O[C@@H]2CO1,non_standard_macrocycle,15.0,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +587,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OCC(O)CNCCCCc2ccccc2)C[C@@H](C)NC(=O)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +588,nan,,CCC1OC(=O)C(C)[C@@H](O[C@H]2C[C@@](C)(OC)C(O)C(C)O2)C(C)[C@@H](O[C@@H]2OC(C)CC(N(C)C)C2O)[C@@](C)(O)CC(C)CN(C)C(C)C(O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +589,nan,,C=CCO[C@]1(C)C[C@@H](C)NC(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC(=O)CCN(C)CCc2ccccc2)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +590,nan,,CC(C)CC1NC(=O)C(C(C)C)NC(=O)C(CC(C)C)OC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC1=O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +591,CHEMBL2029585,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNCCCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +592,nan,,C=C1CC[C@H](Br)[C@@]2(C)CC[C@@H](Br)[C@@](C)(O)CC[C@@H](C(C)(C)Br)OC(=O)c3ccc(O)c(c3)C[C@H]12,standard_macrolactone,15.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_15/standard/numbered/nan_numbered.png,2026-03-19 02:40:48.697878 +593,nan,,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(OC(=O)NNC(=O)/C=C/c3ccc(Br)cc3)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(OC(=O)NCc2ccc(OC)cc2)C1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +594,CHEMBL2029749,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNCc2ccnc3ccccc23)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +595,CHEMBL4072704,,CCCCCC[C@@H](C)[C@@H]1OC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)/C=C/[C@H](CO)NC(=O)[C@H]1CCOCc1ccccc1,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +596,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@](O)(CSCCO)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +597,nan,,CO/N=C/C=C/C(=O)N/C=C/C[C@@H]1CC(=O)O[C@@H](CO)/C=C\[C@@H](O)/C(C)=C\Cc2cccc(O)c2C(=O)O1,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +598,CHEMBL88906,,CC(C)C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N2CCC(C(=O)O)CC2)CCCCNC(=O)OCCC[C@@H]1C(=O)NO,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +599,CHEMBL349460,,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C(C)C)NC2=O)cc1Cl,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +600,CHEMBL509784,OPPOSITINE A,CCC1CCC(=O)O[C@H]2[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4[C@@H](OC(C)=O)[C@]3(O[C@]4(C)COC(=O)c3cccnc31)[C@@]2(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +601,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NNC(=O)c3ccc(Cl)cc3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@H]2OC(=O)O[C@]12C,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +602,CHEMBL2314758,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)[C@H]2[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +603,nan,,CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@@](C)(O)C(=O)O[C@@H]([C@@H](O)[C@@H]2OC(C)=O)[C@]4(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +604,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CCC(=O)[C@H](C)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@]4(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +605,CHEMBL1682447,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NC(c2ccccc2)c2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +606,nan,,COc1ccc(C[C@@H](C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C)O)C(=O)N2CCCCNC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@H](O)[C@H]2CC(C)C)N(C)C(C)=O)cc1,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +607,CHEMBL2029591,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNc2cc(C)nc3ccc(OC)cc23)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +608,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)CCNCCNc3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +609,CHEMBL1774626,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCNC(=O)NCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +610,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@](C)(OC(C)=O)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +611,nan,,CC[C@H](C)[C@H]1OC(=O)C(C)(C)[C@H](O)[C@H](Cc2ccccc2)OC(=O)[C@@H](C(C)C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +612,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)CCNCCNc3cccc4ccccc34)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)NC(=O)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +613,nan,,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(OC(=O)NNC(=O)/C=C/c3ccc(Cl)cc3)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(OC(=O)NCc2ccc(OC)cc2)C1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +614,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OCCCOCCCc3ccc4c(c3)c(=O)c(C(=O)O)cn4N(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +615,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@]3(C)COC(=O)c1cccnc1CC[C@@](C)(O)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)[C@@]4(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +616,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](N)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(=O)OCC2c3ccccc3-c3ccccc32)[C@](C)(O)C[C@@H](C)N(CCF)C[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +617,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OCC(O)CNCCc2cccnc2)C[C@@H](C)NC(=O)[C@H](C)[C@H](O)[C@@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +618,CHEMBL1682607,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)NC(=O)c2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +619,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)CCN(C)CCNc3cc4c(=O)c(C(=O)O)cn(C5CC5)c4cc3Cl)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@H]2OC(=O)O[C@]12C,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +620,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NCc3cn(Cc4c(Cl)cccc4Cl)nn3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](OC(=O)NCc2ccccc2)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +621,nan,,CC[C@H]1OC(=O)[C@H](C)[C@H]2OC3(CCN(c4ncccn4)CC3)O[C@](C)(C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O)[C@H](O[C@@H]1O[C@H](C)CC(N(C)C)[C@H]1O)[C@H]2C,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +622,CHEMBL3358523,,C[C@H]1CCCC(=O)N(C)/C=C/CC[C@H](C)C(=O)O[C@H](C(C)(C)C)C1,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +623,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@H](O)[C@@]14O[C@]3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@]4(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +624,nan,,CCCNC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@H]3OC(=O)O[C@]3(C)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +625,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](N)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)N(C)C[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +626,nan,,C/C=C\C/C=C/[C@H](C)C[C@H](O)[C@H]1C[C@@H]2O[C@H]2/C=C\[C@@H](O)[C@@H](O)/C=C\C[C@H](C)CC(=O)O1,standard_macrolactone,15.0,,,success,,6.0,"[3, 5, 6, 9, 10, 14]",ring_size_15/standard/numbered/nan_numbered.png,2026-03-19 02:40:49.006018 +627,nan,,CC[C@H]1OC(=O)/C(C)=C\[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)CN(C(=O)NC(C)C)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +628,nan,,CC[C@H]1OC(=O)[C@H](C)[C@H]2OC3(CCN(CCc4ccc(NC(C)=O)cc4)CC3)O[C@](C)(C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@H]2C,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +629,CHEMBL1682459,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc(Cl)c(Cl)c2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +630,CHEMBL4098570,,C=C1/C=C/C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O[C@H]([C@@H](C)CCCCCC)[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +631,nan,,CO/N=C/C=C\C(=O)N/C=C/C[C@@H]1CC(=O)O[C@@H](C)/C=C\[C@@H](O)/C(C)=C\Cc2cccc(O)c2C(=O)O1,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +632,CHEMBL2029763,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +633,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +634,nan,,C/C=C/C/C=C\[C@H](C)C[C@H](O)[C@H]1C[C@@H]2O[C@H]2/C=C\[C@@H](O)[C@@H](O)/C=C\C[C@H](C)CC(=O)O1,standard_macrolactone,15.0,,,success,,6.0,"[3, 5, 6, 9, 10, 14]",ring_size_15/standard/numbered/nan_numbered.png,2026-03-19 02:40:49.094240 +635,nan,,C[C@@H]1CC=CCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1,standard_macrolactone,15.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_15/standard/numbered/nan_numbered.png,2026-03-19 02:40:49.113506 +636,CHEMBL1682467,,CCOC(=O)c1ccc(NC(=S)NCCCN2C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]2C)cc1,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +637,nan,,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)(CN(C)Cc3ccc(-c4cn(CCCCC(=O)NO)nn4)cc3)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +638,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@@](C)(O)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +639,nan,,C=CCN1C(=O)O[C@H]2[C@H](O[C@@H]3[C@@H](C)[C@H](O[C@H]4C[C@@](C)(OC)[C@@H](O)[C@H](C)O4)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@]3(C)O)O[C@H](C)C[C@@H]21,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +640,CHEMBL1682461,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2ccc3c(c2)CCC3)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +641,CHEMBL1773086,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +642,CHEMBL3822850,,COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3cc(-c4ccc(-c5c[nH]c([C@@H]6C[C@@H]7CN6C(=O)[C@H](C(C)C)NC(=O)OCCC/C=C/CO7)n5)cc4)ccc3c2[nH]1)C(C)C,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +643,nan,,CCCNC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +644,nan,,CC[C@H]1OC(=O)[C@H](C)[C@H]2OC3(CCN(C(=O)c4ccccc4)CC3)O[C@](C)(C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@H]2C,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +645,nan,,C=C[C@@]1(O)[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +646,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OCCCC(=O)NCCOCCNc3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +647,nan,,CON1O/C=C\C=C(N)/C=C\C[C@@H]2CC(=O)O[C@H](CO)/C=C\[C@@H](O)/C(C)=C\Cc3cccc(c3C(=O)O2)O1,non_standard_macrocycle,15.0,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +648,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCCNC(=O)CCCNc3ccnc4ccccc34)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +649,CHEMBL1682713,,C=CCNC(=S)NCCCN1C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +650,CHEMBL1774291,,C=CCN1C[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +651,nan,,CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)c1ccncc1)[C@@H]2OC(C)=O)[C@]4(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +652,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)C(N)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)N(C)C[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +653,CHEMBL3358522,,C[C@@H]1CCCC(=O)N(C)CCCC[C@@H](C)C(=O)O[C@@H](C(C)(C)C)C1,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +654,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)CCNCCNc3cc4c(=O)c(C(=O)O)cn(C5CC5)c4cc3Cl)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)NC(=O)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +655,nan,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OCC2CO2)C[C@@H](C)NC(=O)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +656,nan,,CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)[C@@H](C)COC(=O)C/C=C\[C@H]1C,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +657,CHEMBL4095942,,C=C1/C=C/C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCOC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N1,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +658,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(-c4cn(CCCCCCC(=O)NO)nn4)cc3)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +659,nan,,CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@]3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@H]([C@H](O)[C@@H]2OC(C)=O)[C@]4(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +660,CHEMBL1682574,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2cccc(Cl)c2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +661,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)NCCc2ccccc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@H]2OC(=O)O[C@]12C,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +662,CHEMBL1682581,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)Nc2ccccc2-c2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +663,nan,,CC#C[C@@]1(O)[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +664,nan,,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(OC(=O)NNC(=O)/C=C/c3ccco3)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(OC(=O)NCc2ccc(OC)cc2)C1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +665,nan,,CC[C@H]1OC(=O)[C@H](C)[C@H]2OC3(CCN(C(=O)c4c[nH]c5ccccc45)CC3)O[C@](C)(C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@H]2C,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +666,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OCCCOCCCCc3ccc4c(c3)c(=O)c(C(=O)O)cn4N(C)C)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +667,CHEMBL1946558,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCCNc3ccnc4ccc(Cl)cc34)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +668,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)CCOCCOc3cc4c(=O)c(C(=O)O)cn(C5CC5)c4cc3Cl)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +669,CHEMBL1682608,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc(N(CC)CC)cc2)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +670,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)CCCCOCCCc3ccc4c(c3)c(=O)c(C(=O)O)cn4CC)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,non_standard_macrocycle,15.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +671,nan,,O=C1CCCCCCCCCCC(=NOC(=O)COc2cccc([N+](=O)[O-])c2)CCCO1,standard_macrolactone,16.0,,,success,,1.0,[6],ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:49.418322 +672,nan,,CC[C@H]1OC(=O)CC(O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCN(CC)CC)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:49.469746 +673,nan,,CC1CCCCCCCCCCCCCOC1=O,standard_macrolactone,16.0,,,success,,1.0,[16],ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:49.492984 +674,nan,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2OC(C)=O)[C@@H](CCOc2ccccc2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:49.552572 +675,CHEMBL435458,,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)c3ccccc3NC2=O)cc1Cl,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +676,nan,,CCOC(=O)[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)OCCC(/C=C/Cc4cncc5ccccc45)CN(C)C[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +677,nan,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CCOS(=O)(=O)c2ccc(C)cc2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1OC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:49.629166 +678,nan,,CC[C@@H]1OC(=O)CCC/C=C\C/C=C\C/C=C\[C@H]2[C@H]1C[C@@H](O)[C@@H]2O,standard_macrolactone,16.0,,,success,,3.0,"[3, 4, 5]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:49.661546 +679,nan,,CC(C)[C@@H]1NC(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)OC(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C1=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +680,nan,,O=C1CCCCCCCCC(=O)OCCCCO1,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +681,nan,,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C\[C@H]2O[C@@H]2C[C@@H](C)OC(=O)C[C@H]1OC(C)=O,standard_macrolactone,16.0,,,success,,9.0,"[3, 5, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:49.728229 +682,CHEMBL328208,,Cc1nc2cc([C@@H]3C[C@@H]4O[C@]4(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O3)ccc2n1C,standard_macrolactone,16.0,,,success,,11.0,"[3, 5, 6, 6, 10, 11, 12, 13, 14, 14, 15]",ring_size_16/standard/numbered/CHEMBL328208_numbered.png,2026-03-19 02:40:49.783221 +683,nan,,CO[C@H]1[C@H](OC(C)=O)CC(=O)O[C@H](C)C/C=C\C=C/[C@H](O)[C@H](C)C[C@@H](CC=O)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O2)[C@H](N(C)C)[C@H]1O,standard_macrolactone,16.0,,,success,,7.0,"[3, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:49.829878 +684,nan,,CCC1CC(C)C(=O)/C=C\C=C/CC(C)OC(=O)CC(O)C(OC)C1OC1OC(C)CC(N(C)C)C1O,standard_macrolactone,16.0,,,success,,7.0,"[3, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:49.872986 +685,CHEMBL103638,,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3cccc(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +686,nan,,C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)CC(=O)O1,standard_macrolactone,16.0,,,success,,9.0,"[3, 5, 6, 10, 11, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:49.929229 +687,nan,,CC[C@@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CCCCCCCCc2ccc(O)cc2)[C@@H](C)OC1=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +688,nan,,O=C1CCCCCCCCCCC(=NOC(=O)COc2ccccc2Cl)CCCO1,standard_macrolactone,16.0,,,success,,1.0,[6],ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:49.959364 +689,nan,,CO[C@@H]1[C@@H](O[C@H]2O[C@@H](C)[C@H](O[C@H]3C[C@@](C)(O)[C@H](OC(C)=O)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@@H](CC=O)C[C@H](C)[C@@H](O)/C=C\C=C/C[C@H](C)OC(=O)C[C@H]1O,standard_macrolactone,16.0,,,success,,7.0,"[3, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:50.006526 +690,nan,,COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1Cl,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +691,nan,,C=C1Oc2cc(OC)cc(C(=O)O[C@@H]3COC(=O)C[C@H](N)c4cc(O)c(c(Cl)c4)O[C@@H]4c5ccc3c(Cl)c5C3=CC=C[C@@]34O[C@H]3OC(C)(C)[C@H](N(C)C)[C@H](O)[C@@H]3O)c2NC1=O,non_standard_macrocycle,16.0,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +692,nan,,CO[C@@H]1[C@@H](OC[C@@H]2[C@H](C)OC(=O)CC[C@@H](C)[C@@H](O[C@H]3O[C@@H](C)C[C@@]4(OC(=O)O[C@H]4C)[C@@H]3O)[C@@H](C)C[C@H](C)C(=O)/C=C\[C@@H]3O[C@H]32)O[C@@H](C)[C@@H](O)[C@@H]1OC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 5, 6, 9, 10, 12, 13, 14]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:50.076175 +693,nan,,CCNCC[C@H]1C[C@@H](C)C(=O)/C=C/C(C)=C/[C@H](C)[C@@H](CC)OC(=O)CC(O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:50.127404 +694,nan,,CC(C)C[C@@H]1OC(=O)[C@H](C)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +695,nan,,CC[C@H](C)[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)C[C@@H](/C=C/c2ccccc2)OC(=O)[C@H](C(C)C)NC1=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +696,nan,,C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1,standard_macrolactone,16.0,,,success,,9.0,"[3, 6, 10, 11, 12, 13, 14, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:50.188666 +697,nan,,CC[C@H]1OC(=O)CC(O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)CCCN(C)C(=O)CNC)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:50.239663 +698,nan,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](OC2OC(C)C(O)C(N(C)C(C)=O)C2O)[C@@H](CC(OC)OC)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1COC1OC(C)C(O)C(OC)C1OC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:50.292451 +699,nan,,C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O)CC(=O)O1,standard_macrolactone,16.0,,,success,,9.0,"[3, 5, 6, 10, 11, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:50.340524 +700,nan,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCOc2ccc(OC)cc2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:50.392886 +701,CHEMBL3317810,,C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](Cc1ccccc1)NC2=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +702,CHEMBL92285,,C/C1=C/C[C@@H](c2ccc3sc(C)nc3c2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1,standard_macrolactone,16.0,,,success,,9.0,"[3, 6, 10, 11, 12, 13, 14, 14, 15]",ring_size_16/standard/numbered/CHEMBL92285_numbered.png,2026-03-19 02:40:50.448671 +703,nan,,CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)OC1=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +704,nan,,C/C=C1\NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](C)C[C@@H](C)CCC)[C@@H](C)OC1=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +705,nan,,C[C@@H]1OC(=O)[C@@H](c2cc(O)cc(O)c2)NC(=O)[C@H](c2cc(O)cc(O)c2)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)[nH]1,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +706,CHEMBL433337,,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](c2ccc(O)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +707,nan,,CC[C@@H]1C[C@@H](C)C(=O)/C=C\C=C/C[C@@H](C)OC(=O)C[C@@H](O)[C@@H](OC)[C@@H]1O,standard_macrolactone,16.0,,,success,,7.0,"[3, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:50.518800 +708,nan,,CO/C1=C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H](OC)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@@]2(OC)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O,standard_macrolactone,16.0,,,success,,8.0,"[3, 4, 8, 10, 11, 12, 14, 16]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:50.565168 +709,nan,,CO[C@H]1CCCCCCCCC[C@@H](C)OC(=O)CCC1=O,standard_macrolactone,16.0,,,success,,3.0,"[3, 13, 14]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:50.593441 +710,nan,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CCCl)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:50.650044 +711,nan,,C/C(=C\c1csc(C)n1)[C@@H]1CCCCCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)C(O)CC(=O)O1,standard_macrolactone,16.0,,,success,,8.0,"[3, 10, 11, 12, 13, 14, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:50.697706 +712,nan,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1OC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:50.754037 +713,nan,,C[C@H]1/C=C\CC/C=C\C=C/C/C=C\CCC(=O)O1,standard_macrolactone,16.0,,,success,,1.0,[3],ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:50.776317 +714,CHEMBL1531390,,CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@H](OC)[C@H]([C@@H](C)[C@@H](O)[C@H](C)[C@H]2C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O,standard_macrolactone,16.0,,,success,,8.0,"[3, 4, 8, 10, 11, 12, 14, 16]",ring_size_16/standard/numbered/CHEMBL1531390_numbered.png,2026-03-19 02:40:50.823419 +715,nan,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCOc2cc(Cl)cc(Cl)c2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:50.876642 +716,nan,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCOc2cccc(N(C)C)c2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:50.930704 +717,nan,,CCC[C@@H]1OC(=O)[C@@H](C)[C@@H]2CC[C@H](C[C@@H](C)OC(=O)[C@@H](C)[C@H]3CC[C@H](O3)[C@H]1C)O2,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +718,nan,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=N\OC/C=C/c2cnc3ccccc3c2)/C=C/C(C)=C/C1CO,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:50.989168 +719,nan,,COC1C(OCC2C(C)OC(=O)/C=C\C(C)C(OC3OC(C)CC(O)C3O)CCC(C)C(=O)/C=C\C3OC32)OC(C)C(O)C1OC,standard_macrolactone,16.0,,,success,,8.0,"[3, 4, 5, 6, 9, 10, 13, 14]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:51.035532 +720,nan,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CCOc2ccc(C(=O)c3ccccc3)cc2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:51.093027 +721,CHEMBL42743,TYLOSIN,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/CHEMBL42743_numbered.png,2026-03-19 02:40:51.147070 +722,nan,,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](C(=O)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +723,nan,,CC[C@H]1OC(=O)C[C@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3C[C@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@@H](N(C)C)[C@@H](C)O2)/C=C\C(C)=C/[C@H]1C,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:51.234438 +724,nan,,CC[C@@H]1OC(=O)/C=C\[C@H](C)[C@H](O[C@H]2O[C@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@H](C)C[C@@H](C)C(=O)/C=C\C=C/[C@@]1(O)CO[C@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1OC,standard_macrolactone,16.0,,,success,,8.0,"[3, 4, 4, 9, 10, 12, 13, 14]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:51.283749 +725,nan,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCO)C[C@@H](C)C(=O)/C=C\[C@@]2(C)O[C@@H]2[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC,standard_macrolactone,16.0,,,success,,11.0,"[3, 4, 5, 6, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:51.342475 +726,nan,,CCC(=O)O[C@@H]1CC(=O)O[C@H](C)C/C=C\C=C/[C@@H](O)[C@H](C)C[C@H](CC=O)[C@H](O[C@H]2O[C@@H](C)[C@H](O[C@H]3C[C@@](C)(O)[C@H](OC(=O)CC)[C@@H](C)O3)[C@@H](N(C)C)[C@@H]2O)[C@H]1OC,standard_macrolactone,16.0,,,success,,7.0,"[3, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:51.390405 +727,nan,,C/C1=C/[C@@H](C)C[C@@H](C)[C@@H](Cc2cnco2)OC(=O)/C(C)=C\[C@@H](C)C[C@@H](C)[C@@H](Cc2cnco2)OC1=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +728,nan,,C/C1=C/[C@H](C)C[C@H](C)[C@H](Cc2cnco2)OC(=O)/C(C)=C\[C@@H](C)C[C@H](C)[C@H](Cc2cnco2)OC1=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +729,nan,,CCOC(=O)/C=C/C[C@H]1C[C@@H](C)C(=O)/C=C/C(C)=C/[C@H](COC2OC(C)C(O)C(OC)C2OC)[C@@H](CC)OC(=O)C[C@@H](OC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)[C@H]1OC1OC(C)C(O)C(N(C)C)C1O,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:51.456921 +730,nan,,CC[C@H]1OC(=O)CC(O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCN2CC(C)CC(C)C2)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C,standard_macrolactone,16.0,,,success,,11.0,"[3, 4, 5, 6, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:51.517477 +731,nan,,COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +732,nan,,CC[C@H]1OC(=O)C[C@@H](OC(C)=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C\C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:51.583110 +733,CHEMBL3251867,,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(=O)CC)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O,standard_macrolactone,16.0,,,success,,7.0,"[3, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/CHEMBL3251867_numbered.png,2026-03-19 02:40:51.632631 +734,nan,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](OC2OC(C)C(O)C(N(C)C(C)=O)C2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1COC1OC(C)C(O)C(OC)C1OC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:51.686696 +735,nan,,CC1CC(=O)OC(C)C(O)/C=C/C(=O)OC(C)C(O)/C=C/C(=O)O1,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +736,CHEMBL3934882,,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1,non_standard_macrocycle,16.0,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +737,nan,,CO[C@@H]1[C@@H](O)CC(=O)O[C@H](C)C/C=C\C=C/[C@H](OC(C)=O)[C@H](C)C[C@H](CC=O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC(C)=O)[C@@H](OC(C)=O)[C@@H](C)O2)[C@H](N(C)C)[C@H]1OC(C)=O,standard_macrolactone,16.0,,,success,,7.0,"[3, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:51.749402 +738,CHEMBL3244607,,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(=O)CCC(=O)O)[C@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O,standard_macrolactone,16.0,,,success,,7.0,"[3, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/CHEMBL3244607_numbered.png,2026-03-19 02:40:51.796327 +739,nan,,CC(=O)C[C@@H]1CCC(=O)/C=C\C(=O)O[C@H](CC(C)=O)CC[C@H](O)/C=C\C(=O)O1,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +740,CHEMBL379989,RHIZOXIN,CO[C@@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H]2C[C@H](CC(=O)O2)C[C@@H]2O[C@H]2C(=O)O1,standard_macrolactone,16.0,,,success,,10.0,"[3, 5, 6, 6, 7, 10, 11, 13, 15, 16]",ring_size_16/standard/numbered/CHEMBL379989_numbered.png,2026-03-19 02:40:51.856222 +741,nan,,C/C(=C\c1csc(C)n1)[C@@H]1CC2OC(C)(C)OC2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1,standard_macrolactone,16.0,,,success,,10.0,"[3, 5, 6, 10, 11, 12, 13, 14, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:51.910215 +742,nan,,C/C=C1\NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)/C(C)=C/C)C(C)C)[C@@H](C)OC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC1=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +743,nan,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](OC2OC(C)C(O)C(N(C)C)C2O)[C@@H](C/C=C/C(C)=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1COC1OC(C)C(O)C(OC)C1OC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:51.970831 +744,CHEMBL2324838,,C=CCOC(=O)C[C@H]1CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +745,nan,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](C=O)C[C@@H](C)C(=N\OCCCc2ccc3ncccc3c2)/C=C/C(C)=C/C1CO,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:52.029902 +746,nan,,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](C(=O)C#Cc3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@@H](C)CNC2=O)cc1,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +747,nan,,CCCON=C1CCCCCCCCCCC(=O)OCCC1,standard_macrolactone,16.0,,,success,,1.0,[6],ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:52.057832 +748,nan,,CO[C@H]1[C@H](OC[C@H]2/C=C/CCC(=O)[C@@](C)(O)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@](O)([C@H](C)O)[C@H]3O)[C@@H](C)/C=C/C(=O)O[C@@H]2C)O[C@H](C)[C@@H](O)[C@H]1OC,standard_macrolactone,16.0,,,success,,8.0,"[3, 4, 9, 10, 10, 12, 13, 14]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:52.105377 +749,nan,,CC1CCCCCCCCCCCCCC(=O)O1,standard_macrolactone,16.0,,,success,,1.0,[3],ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:52.126998 +750,CHEMBL122232,,CCCC1(CCC)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +751,nan,,CCC1CC(C)C(O)/C=C/C=C/CC(C)OC(=O)CC(O)C(OC)C1OC1OC(C)CC(O)(C(C)=O)C1O,standard_macrolactone,16.0,,,success,,7.0,"[3, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:52.175593 +752,nan,,CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C/C=C5/OCC[C@@]6(O[C@H]6C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1)[C@@H]5O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +753,nan,,CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](NC3CCCCC3)[C@H](C)[C@@H](C(C)C)O2)OC1=O,standard_macrolactone,16.0,,,success,,8.0,"[3, 4, 8, 10, 11, 12, 14, 16]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:52.227854 +754,CHEMBL3251858,,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(C)=O)[C@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O,standard_macrolactone,16.0,,,success,,7.0,"[3, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/CHEMBL3251858_numbered.png,2026-03-19 02:40:52.273327 +755,nan,,CCCC/C=C/C(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H]2CC(C)CCN2C(=O)[C@@H]2CCCN2C1=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +756,nan,,C/C(=C\c1coc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1,standard_macrolactone,16.0,,,success,,11.0,"[3, 5, 6, 6, 10, 11, 12, 13, 14, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:52.333782 +757,nan,,CO[C@H]1[C@@H](OC(C)=O)CC(=O)O[C@H](C)C[C@@H]2O[C@@H]2/C=C\[C@H](O)[C@@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@@H]2C[C@](C)(O)[C@H](OC(=O)CC(C)C)[C@@H](C)O2)[C@H](N(C)C)[C@H]1O,standard_macrolactone,16.0,,,success,,9.0,"[3, 5, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:52.385588 +758,nan,,CCC(=O)O[C@H]1CC(=O)O[C@H](C)C/C=C\C=C/[C@H](C)[C@H](C)C[C@H](CC=O)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](N(C)C)[C@H]2O)[C@@H]1OC,standard_macrolactone,16.0,,,success,,7.0,"[3, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:52.429166 +759,nan,,CO[C@@H]1[C@@H](OC(C)=O)CC(=O)O[C@@H](C)C/C=C\C=C/[C@H](O[C@@H]2C[C@@H](N(C)C)C[C@H](C)O2)[C@H](C)C[C@H](CC=O)[C@H]1O[C@@H]1C[C@H](C)[C@@H](O[C@@H]2C[C@](C)(O)[C@@H](O)[C@H](C)O2)[C@@H](N(C)C)[C@@H]1O,standard_macrolactone,16.0,,,success,,7.0,"[3, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:52.475452 +760,CHEMBL3251860,,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(=O)CC)[C@H](O[C@@H]3[C@@H](OC)[C@H](OC(C)=O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O,standard_macrolactone,16.0,,,success,,7.0,"[3, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/CHEMBL3251860_numbered.png,2026-03-19 02:40:52.521862 +761,nan,,CC[C@H]1OC(=O)CC(O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)CCCNC)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:52.573139 +762,CHEMBL403900,POLYDISCAMIDE B,CCC(C)(C)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)NC=O)C(C)(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CS(=O)(=O)O)C(=O)N[C@@H]1C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(=O)O)C(=O)O[C@@H]1C,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +763,nan,,COC(=O)C[C@@H]1C/C=C\C(=O)O[C@H]([C@H](C)[C@@H](OC)/C(C)=C/C=C/C(C)=C/c2coc(C)n2)C[C@H](O)[C@@]2(C)O[C@@H]2/C=C\[C@@H](C)[C@H](O)C1,standard_macrolactone,16.0,,,success,,8.0,"[3, 5, 6, 6, 7, 10, 11, 13]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:52.634444 +764,nan,,CC(/C=C/C=C(\C)[C@H](O)[C@@H](C)[C@H]1C[C@H](O)[C@]2(C)O[C@H]2/C=C\[C@@H](C)[C@H](O)C[C@H](CC(=O)O)C/C=C\C(=O)O1)=C\c1coc(C)n1,standard_macrolactone,16.0,,,success,,8.0,"[3, 5, 6, 6, 7, 10, 11, 13]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:52.678828 +765,nan,,C/C(=C\c1cc(C)ccn1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1,standard_macrolactone,16.0,,,success,,11.0,"[3, 5, 6, 6, 10, 11, 12, 13, 14, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:52.732185 +766,nan,,CC[C@H]1/C=C\[C@@H]([C@@H](O)C=C(C)C)OC(=O)/C(C)=C\[C@@H]2C(=O)NC3=CC(=O)c4c(cc(C)c(O)c4C(=O)CC1)[C@@]32O,standard_macrolactone,16.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:52.752940 +767,nan,,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)C(CC=O)C[C@@H](C)[C@@H](O)/C=C\C=C/C[C@@H](C)OC(=O)C[C@H]1O,standard_macrolactone,16.0,,,success,,7.0,"[3, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:52.799699 +768,nan,,CCOC(=O)c1ccc(OCC[C@H]2C[C@@H](C)C(=O)/C=C/C(C)=C/[C@H](CO[C@@H]3O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]3OC)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]2O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)cc1,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:52.852788 +769,nan,,O=C1CCCCCCCCCCC(=NOCc2c(F)cccc2Cl)CCCO1,standard_macrolactone,16.0,,,success,,1.0,[6],ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:52.876405 +770,nan,,CC1CCC(NS(C)(=O)=O)CCCCCCCCCCC(=O)O1,standard_macrolactone,16.0,,,success,,2.0,"[3, 6]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:52.902265 +771,nan,,C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/C=C/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)COC(=O)[C@@H]2CCCN2C1=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +772,nan,,CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@H](C)C[C@H](O)[C@H](N(C)CCCCCCc4ccccc4)/C=C/[C@H](OC(C)=O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O,standard_macrolactone,16.0,,,success,,9.0,"[3, 5, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:52.963765 +773,nan,,CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](OC3[C@H](CC=O)C[C@@H](C)[C@@H](O)/C=C\C=C/C[C@@H](C)OC(=O)C[C@@H](OC(=O)CC)[C@@H]3OC)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O,standard_macrolactone,16.0,,,success,,7.0,"[3, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:53.008784 +774,nan,,CO[C@@H]1[C@@H](OC[C@H]2[C@@H]3O[C@@H]3/C=C\C(=O)[C@](C)(O)CC[C@@H](O[C@H]3O[C@@H](C)C[C@@H](OC)[C@@H]3O)[C@H](C)/C=C\C(=O)O[C@@H]2C)O[C@@H](C)[C@H](O)[C@H]1OC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 5, 6, 9, 10, 10, 13, 14]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:53.058016 +775,nan,,CC(=O)CC1CCC(=O)CCC(=O)OC(CC(C)=O)CCC(=O)CCC(=O)O1,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +776,nan,,O=C1CCCCCCCCCC/C(=N/OC(=O)COc2ccc(Br)cc2Cl)CCCO1,standard_macrolactone,16.0,,,success,,1.0,[6],ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:53.085179 +777,nan,,CC[C@H]1OC(=O)CC(O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCNCC(C)(C)CO)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:53.134989 +778,CHEMBL406149,,CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](n2cccc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +779,nan,,CO[C@@H]1[C@@H](OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC(C)C)C(C)O3)C(N(C)C)C2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O,standard_macrolactone,16.0,,,success,,7.0,"[3, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:53.186475 +780,CHEMBL313330,,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)C3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +781,nan,,CC1CCC(=NOC(=O)C(C)Oc2ccc(Cl)cc2)CCCCCCCCCCC(=O)O1,standard_macrolactone,16.0,,,success,,2.0,"[3, 6]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:53.219488 +782,nan,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@@H](CC(=O)O)C[C@@H](C)C(=O)/C=C\[C@]2(C)O[C@H]2[C@@H]1C,standard_macrolactone,16.0,,,success,,11.0,"[3, 4, 5, 6, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:53.278453 +783,nan,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)C(C=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1COC(=O)Nc1ccccc1,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:53.331010 +784,nan,,CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@H](CC)C(=O)O[C@@H]([C@H](CC)[C@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)[C@H](C)[C@@H]2CC[C@@H](O2)[C@@H](CC)C(=O)O1,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +785,nan,,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](C(Br)C#Cc3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +786,nan,,Cc1nc2c([nH]1)CCCCCCCCC[C@@H](C)OC(=O)/C=C/2,standard_macrolactone,16.0,,,failed,non-ring atom 1 marked aromatic,,,ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:53.363557 +787,CHEMBL251118,,C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(Br)cc(c2)COC1=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +788,CHEMBL350017,,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C[C@@H](C)NC2=O)cc1Cl,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +789,CHEMBL3808853,,CC1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2,non_standard_macrocycle,16.0,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +790,nan,,CCCC/C=C/C(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@@H]2CC(C)CCN2C(=O)[C@@H]2CCCN2C1=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +791,nan,,C[C@@H]1CCCCCCCCC[C@H](OC(=O)CCC(=O)O)C(=O)/C=C\C(=O)O1,standard_macrolactone,16.0,,,success,,3.0,"[3, 13, 14]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:53.419742 +792,nan,,COC(/C(C)=C/C=C/C(C)=C/c1coc(C)n1)C(C)C1CC(O)C2(C)OC2C=CC(C)C2CC(CC(=O)O2)CC2OC2C(=O)O1,standard_macrolactone,16.0,,,success,,10.0,"[3, 5, 6, 6, 7, 10, 11, 13, 15, 16]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:53.471826 +793,nan,,CO[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)/C=C\C(=O)O[C@H](C)[C@@H](CO[C@@H]3O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]3OC)/C=C\CCC(=O)[C@H](C)C[C@@H]2C)[C@@H]1O,standard_macrolactone,16.0,,,success,,7.0,"[3, 4, 9, 10, 12, 13, 14]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:53.515892 +794,CHEMBL3939509,,CCS(=O)(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)ncc(F)c3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2,non_standard_macrocycle,16.0,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +795,nan,,CC[C@H]1OC(=O)CC(O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCNC2C(O)CCCC2O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:53.572889 +796,nan,,CC[C@H]1OC(=O)/C=C\[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@H](C)C[C@@H](C)C(=O)/C=C\[C@H]2O[C@@H]2[C@@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 5, 6, 9, 10, 12, 13, 14]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:53.625955 +797,nan,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)C(C=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1COC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:53.679071 +798,CHEMBL4077853,,CCS(=O)(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3cc[nH]c(=O)c3c1)c1ccc(cc1)CCOC(=O)N2,non_standard_macrocycle,16.0,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +799,nan,,CC[C@@H]1OC(=O)CCC/C=C\C/C=C\C/C=C\[C@H]2[C@H]1C[C@@H](Cl)[C@@H]2O,standard_macrolactone,16.0,,,success,,3.0,"[3, 4, 5]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:53.715831 +800,CHEMBL3349528,,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](C[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +801,nan,,COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H](C/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +802,nan,,C=C1Oc2cc(OC)cc(C(=O)O[C@H]3COC(=O)C[C@H](N)c4cc(O)c(c(Cl)c4)O[C@@H]4C#C/C=C/3C#CC3=CC=C[C@@]34O[C@@H]3OC(C)(C)[C@@H](N(C)C)[C@@H](O)[C@H]3O)c2NC1=O,non_standard_macrocycle,16.0,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +803,nan,,CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](C(=O)OCNC(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C)[C@@H](C(C)C)O2)OC1=O,standard_macrolactone,16.0,,,success,,8.0,"[3, 4, 8, 10, 11, 12, 14, 16]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:53.784867 +804,nan,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=N/OCCOc2ccccc2)/C=C/C(C)=C/C1CO,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:53.834997 +805,nan,,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O,standard_macrolactone,16.0,,,success,,7.0,"[3, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:53.880817 +806,nan,,C[C@H]1CCC(=O)/C=C\C(=O)O[C@H](C)CCC(=O)/C=C\C(=O)O1,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +807,CHEMBL328224,,C/C1=C/C[C@@H](c2ccc3cccnc3c2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1,standard_macrolactone,16.0,,,success,,9.0,"[3, 6, 10, 11, 12, 13, 14, 14, 15]",ring_size_16/standard/numbered/CHEMBL328224_numbered.png,2026-03-19 02:40:53.932537 +808,nan,,CC[C@@H]1OC(=O)/C=C\[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@@H](C)C[C@H](C)C(=O)/C=C\C=C/[C@@H]1CO[C@@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1O,standard_macrolactone,16.0,,,success,,7.0,"[3, 4, 9, 10, 12, 13, 14]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:53.976193 +809,CHEMBL3956442,,CC[C@@H](C(=O)O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)ncc(F)c3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2,non_standard_macrocycle,16.0,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +810,CHEMBL124364,,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)NC(=O)C3(CC3)CNC2=O)cc1Cl,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +811,nan,,CO[C@@H]1/C=C\C=C(\C)C[C@H](C)[C@H](O)[C@H](C)/C=C(C)\C=C(\C)C(=O)O[C@H]1/C(C)=C/[C@H](C)C1=CC=C(C)[C@H](C(C)C)O1,standard_macrolactone,16.0,,,success,,8.0,"[3, 4, 8, 10, 11, 12, 14, 16]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:54.033146 +812,nan,,O=C1CCCCCCCCCCC2(CCCO1)N=N/C(=N/c1ccc(Br)cc1)S2,standard_macrolactone,16.0,,,success,,2.0,"[6, 6]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:54.059450 +813,CHEMBL3917434,,CCN(CC)C(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2,non_standard_macrocycle,16.0,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +814,nan,,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(CN4CCNCC4)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +815,CHEMBL3967204,,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3(c4nnn[nH]4)CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1,non_standard_macrocycle,16.0,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +816,CHEMBL327295,,COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccc(C)c(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +817,nan,,CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C/[C@]5([C@H](C)O)OCC[C@]6(O[C@H]6C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1)[C@H]5O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +818,CHEMBL3251868,,CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(=O)CCC)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O,standard_macrolactone,16.0,,,success,,7.0,"[3, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/CHEMBL3251868_numbered.png,2026-03-19 02:40:54.136636 +819,nan,,CC[C@H]1OC(=O)/C=C\[C@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)CC[C@@H](C)C(=O)/C=C\[C@H]2O[C@@H]2[C@]1(O)CO[C@H]1O[C@@H](C)[C@H](O)[C@@H](OC)[C@@H]1OC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 4, 5, 6, 9, 10, 13, 14]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:54.186320 +820,nan,,CC[C@H](C)[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC(=O)C[C@H](/C=C/c2ccccc2)OC(=O)[C@@H](C(C)C)NC1=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +821,nan,,C/C=C(\NC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)/C(=C/C)NC(=O)CC(O)CCCCC)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)N[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCO)C(=O)N[C@H](CCN)C(=O)N[C@@H](CCCCN)C(=O)O[C@@H]1C,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +822,nan,,C/C=C(\NC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)/C(=C/C)NC(=O)CC(O)CCCCC)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)N[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCO)C(=O)N[C@H](CCN)C(=O)N[C@@H](CCCCN)C(=O)O[C@@H]1C,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +823,nan,,CCC(=O)O[C@H]1[C@@H](C)O[C@@H](O[C@H]2[C@@H](N(C)C)C[C@H](O[C@@H]3[C@H](CC=O)C[C@H](C)[C@H](O)/C=C\[C@@H]4O[C@H]4C[C@@H](C)OC(=O)C[C@H](OC(C)=O)[C@@H]3OC)O[C@@H]2C)C[C@]1(C)O,standard_macrolactone,16.0,,,success,,9.0,"[3, 5, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:54.281429 +824,nan,,C/C=C1\NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)C=C(C)C)C(C)C)[C@@H](C)OC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC1=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +825,CHEMBL3251862,,CCC(=O)O[C@H]1/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@H](OC)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@H]1C,standard_macrolactone,16.0,,,success,,7.0,"[3, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/CHEMBL3251862_numbered.png,2026-03-19 02:40:54.336366 +826,nan,,CCCCCCCCCCCC[C@@H]1CCCCCCCCC(=O)OC[C@H]2O[C@@H](O1)[C@H](OC(C)=O)[C@@H](O)[C@@H]2O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +827,nan,,CCOC(=O)NN(CC[C@H]1C[C@@H](C)C(=O)/C=C/C(C)=C/[C@H](CO[C@@H]2O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]2OC)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]1O)C(=O)OCC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:54.395466 +828,nan,,CO/C1=C\C(C)=C\[C@@H](C)C(=O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)CC(=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O,standard_macrolactone,16.0,,,success,,8.0,"[3, 4, 8, 10, 11, 12, 14, 16]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:54.441607 +829,nan,,CC(Oc1ccc(Cl)cc1Cl)C(=O)ON=C1CCCCCCCCCCC(=O)OCCC1,standard_macrolactone,16.0,,,success,,1.0,[6],ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:54.463920 +830,nan,,CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)/C=C(\C)C2=C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O2)OC1=O,standard_macrolactone,16.0,,,success,,8.0,"[3, 4, 8, 10, 11, 12, 14, 16]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:54.509552 +831,CHEMBL3977297,,Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(O[C@@H](C)CO)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1,non_standard_macrocycle,16.0,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +832,nan,,COCCOCCC(=O)NCCCC[C@H]1C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@H](/C(C)=C/c2csc(C)n2)C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@@H]1O,standard_macrolactone,16.0,,,success,,11.0,"[3, 5, 6, 6, 10, 11, 12, 13, 14, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:54.571060 +833,nan,,C/C(=C\c1csc(C)n1)[C@@H]1C[C@H](O)[C@@](C)(O)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)C(O)CC(=O)O1,standard_macrolactone,16.0,,,success,,11.0,"[3, 5, 6, 6, 10, 11, 12, 13, 14, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:54.625019 +834,nan,,CO[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)/C=C/C(=O)O[C@H](C)[C@@H](CO[C@@H]3O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]3OC)[C@@H]3O[C@H]3/C=C/C(=O)[C@@](C)(O)C[C@@H]2C)[C@@H]1O,standard_macrolactone,16.0,,,success,,10.0,"[3, 4, 5, 6, 9, 10, 10, 12, 13, 14]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:54.679034 +835,CHEMBL2323287,,CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)-c2nnnn2CC(=O)N[C@@H](C(C)C)C(=O)O1,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +836,nan,,CO[C@@H]1C[C@H](OC(N)=O)[C@@H]2C=C[C@@H]3/C=C(C)\C=C/[C@@H](C)[C@H]([C@H](C)[C@H](O)[C@@H](C)NC(C)=O)OC(=O)/C=C\C=C(C)/C=C\[C@]3(C)[C@@H]2C1,standard_macrolactone,16.0,,,success,,7.0,"[3, 4, 7, 9, 10, 10, 13]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:54.729493 +837,nan,,C/C=C/C=C/[C@H]1O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)C[C@@H](OC(=O)/C=C/C(=O)NC2=C(O)CCC2=O)[C@@H]1C,standard_macrolactone,16.0,,,success,,8.0,"[3, 4, 8, 10, 11, 12, 14, 16]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:54.778292 +838,CHEMBL61164,,CC1C/C=C\CCCCCCCCCOC(=O)N1CC(O)C(Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +839,nan,,CCC[C@H]1CCCC(=O)N[C@@H](CO)CCC[C@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O1,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +840,nan,,CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](C(=O)Oc3ccccc3)[C@H](C)[C@@H](C(C)C)O2)OC1=O,standard_macrolactone,16.0,,,success,,8.0,"[3, 4, 8, 10, 11, 12, 14, 16]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:54.838528 +841,nan,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CCO)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1OC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:54.891777 +842,nan,,O=C1CCCCCCCCCCC(NS(=O)(=O)Cc2ccccc2)CCCO1,standard_macrolactone,16.0,,,success,,1.0,[6],ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:54.914916 +843,nan,,CCC(=O)O[C@@H]1CC(=O)O[C@H](C)C/C=C\C=C/C(=O)[C@H](C)C[C@H](CC=O)[C@@H](O[C@H]2O[C@@H](C)[C@H](O)[C@@H](N(C)C)[C@@H]2O)[C@@H]1OC,standard_macrolactone,16.0,,,success,,7.0,"[3, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:54.959222 +844,nan,,CC[C@H]1C[C@@H](C)C(=O)/C=C/C(C)=C/[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@H](N(C)C)[C@H]1O,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:55.010411 +845,nan,,CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)CC(=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O,standard_macrolactone,16.0,,,success,,8.0,"[3, 4, 8, 10, 11, 12, 14, 16]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:55.057729 +846,CHEMBL3426551,,CO[C@H]1/C=C(/C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@@H]1/C(C)=C/c1csc(C)n1,standard_macrolactone,16.0,,,success,,10.0,"[3, 4, 6, 10, 11, 12, 13, 14, 14, 15]",ring_size_16/standard/numbered/CHEMBL3426551_numbered.png,2026-03-19 02:40:55.109211 +847,nan,,O=C1CCCCCCCCCCC(=NOC(=O)COc2ccc(Cl)cc2Cl)CCCO1,standard_macrolactone,16.0,,,success,,1.0,[6],ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:55.133258 +848,nan,,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2OC(C)=O)[C@@H](CCOc2ccccc2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:55.193169 +849,nan,,C[C@H]1C[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@](O)([C@H](C)O)[C@H]2O)[C@@H](C)/C=C\C(=O)O[C@H](C)[C@@H](C)/C=C\C=C/C1=O,standard_macrolactone,16.0,,,success,,7.0,"[3, 4, 9, 10, 12, 13, 14]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:55.235203 +850,CHEMBL100279,,COc1ccc(/C=C/[C@@H](C)[C@@H]2C/C=C/C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +851,nan,,C[C@H]1CC[C@@H](O)/C=C\C(=O)O[C@@H](C)CC[C@@H](O)/C=C\C(=O)O1,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +852,nan,,CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)/C=C\C=C/C[C@@H](C)OC(=O)C[C@@H](OC(=O)CC)[C@@H]3OC)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)OC(C)=O,standard_macrolactone,16.0,,,success,,7.0,"[3, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:55.292462 +853,nan,,COC(=O)[C@H]1[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O2)OC(=O)/C(OC)=C/C(C)=C/[C@H]1C,standard_macrolactone,16.0,,,success,,8.0,"[3, 4, 8, 10, 11, 12, 14, 16]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:55.339003 +854,CHEMBL3628320,,CCCCCCCCSSCC/C=C/[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)O1,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +855,nan,,CC[C@H]1C[C@@H](C)C(=O)/C=C\C(C)=C/[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O[C@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O,standard_macrolactone,16.0,,,success,,9.0,"[3, 4, 6, 9, 10, 12, 13, 14, 15]",ring_size_16/standard/numbered/nan_numbered.png,2026-03-19 02:40:55.393789 +856,nan,,C/C=C1\NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)C[C@@H](C)CCC)[C@H](C)OC1=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +857,CHEMBL394224,,CN(c1cc2cc(n1)N(CC1CC1)CCCCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O,non_standard_macrocycle,16.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +858,nan,,CCCCCCCC(=O)OCC/C=C/[C@H](Cl)[C@H](O)[C@@H]1OC(=O)/C=C\C=C/c2nc(oc2C)/C=C(/C)CC[C@H]2O[C@H]2[C@H]1OC(=O)NC(C)=O,non_standard_macrocycle,17.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +859,nan,,CC(C)C[C@@H]1NC(=O)OC(CCCc2ccccc2)CCCCCNC(=O)CC[C@@H](C(O)S(=O)(=O)O)NC1=O,non_standard_macrocycle,17.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +860,CHEMBL4097169,,CC(C)C[C@@H]1NC(=O)OC(c2cccc(Cl)c2)CCCCCNC(=O)CC[C@@H](C=O)NC1=O,non_standard_macrocycle,17.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +861,nan,,CCNC1CC2C=CCC3CCCCC(C)(Cc4ccc(N)nc4)Cc4cccc5c4C(=O)C4(OC4(C/C(CO)=C(/C)CCc4ccnc6c4CCC(NC)N6)C5=O)C(=O)OCC1CC23,standard_macrolactone,17.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_17/standard/numbered/nan_numbered.png,2026-03-19 02:40:55.446185 +862,nan,,O=C1O[C@@H]2[C@@H](COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(ccc6oc(=O)c3c4c65)-c3c1cc(O)c(O)c3O)O[C@@H](O)[C@H](O)[C@H]2O,non_standard_macrocycle,17.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +863,nan,,CCCCCCCC(=O)OCC/C=C/[C@H]1O[C@H]1[C@H]1OC(=O)/C=C\C=C/C(=O)NC(=O)/C=C(/C)CC[C@@H]2O[C@@H]2[C@@H]1OC(=O)NC(C)=O,non_standard_macrocycle,17.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +864,nan,,COc1c(OC(C)C)cc2cc(O)c(C(=O)NC3Cc4ccc(c(Cl)n4)O[C@@H]4C=C5C#C/C(=C\C#CC6OC56C4OC4CC(C)(O)C(O)C(C)O4)C(OC4CC(O)C(N(C)C)C(C)O4)COC3=O)cc2c1OC,non_standard_macrocycle,17.0,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +865,nan,,CCNC1C=C2C=CCC3CCCCC(C)(Cc4ccc(N)nc4)Cc4cccc5c4C(=O)C4(OC4(C/C(CO)=C(/C)CCc4ccnc6c4CCC(NC)N6)C5=O)C(=O)OC(CCCO)C1CC23,standard_macrolactone,17.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_17/standard/numbered/nan_numbered.png,2026-03-19 02:40:55.490524 +866,CHEMBL3628304,,CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N[C@H](C(C)C)c1cn(nn1)CC(=O)O2,non_standard_macrocycle,17.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +867,nan,,CCCCCCCC(=O)OCC/C=C/[C@@H](O)[C@@H](O)[C@H]1OC(=O)/C=C\C=C/[C@@](OC)(C(C)=O)NC(=O)/C=C(/C)CC[C@H]2O[C@@H]2[C@@H]1OC(=O)NC(C)=O,non_standard_macrocycle,17.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +868,nan,,C#CCCC[C@@H]1OC(=O)CCNC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H](C(C)C)NC(=O)C1(C)C,non_standard_macrocycle,17.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +869,CHEMBL2323285,,CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)-c2nnn(n2)CC(=O)N[C@@H](C(C)C)C(=O)O1,non_standard_macrocycle,17.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +870,nan,,CCCC(=O)N[C@@H](CC(C)C)[C@@H](CC(=O)O[C@@H]1COC(=O)c2csc(n2)[C@H](C(C)C)OC(=O)[C@@H](C)[C@H](CCCC(C)(Cl)Cl)OC(=O)c2csc1n2)OC(C)=O,non_standard_macrocycle,17.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +871,nan,,CS[C@H]1SC[C@H](N(C)C(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)c2cnc3ccccc3n2)C(=O)N(C)[C@@H](C(C)C)C(=O)OC[C@@H](NC(=O)c2cnc3ccccc3n2)C(=O)N[C@@H](C)C(=O)N(C)[C@@H]1C(=O)N(C)[C@H](C(=O)O)C(C)C,non_standard_macrocycle,17.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +872,nan,,CC[C@H]1/C=C\[C@@H](O)[C@@H](C)OC(=O)/C(C)=C\[C@H]2C(=O)NC3=CC(=O)c4c(cc(C)c(O)c4C(=O)CC1)[C@]32O,standard_macrolactone,17.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_17/standard/numbered/nan_numbered.png,2026-03-19 02:40:55.554841 +873,nan,,CC[C@H]1/C=C\[C@@H](O)[C@@H](C)OC(=O)/C(C)=C\[C@@H]2C(=O)NC3=CC(=O)c4c(cc(C)c(O)c4C(=O)CC1)[C@]32O,standard_macrolactone,17.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_17/standard/numbered/nan_numbered.png,2026-03-19 02:40:55.576589 +874,nan,,C/C=C(C)/C=C(\C)C(O)C(C)[C@H](O)[C@@H](O)[C@H]1C/C=C\C=C\[C@H](O)C[C@@H](O)[C@H](C)c2nc(cs2)/C=C(\CCCCCC)C(=O)O1,non_standard_macrocycle,17.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +875,CHEMBL2323289,,CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)-c2cn(nn2)CC(=O)N[C@@H](C(C)C)C(=O)O1,non_standard_macrocycle,17.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +876,nan,,CCNC1C=C2C=CCC3CCCCC(C)(Cc4ccc(N)nc4)Cc4cccc5c4C(=O)C4(OC4(C/C(CO)=C(/C)CCc4ccnc6c4CCC(NC)N6)C5=O)C(=O)OCC1CC23,standard_macrolactone,17.0,,,failed,non-ring atom 0 marked aromatic,,,ring_size_17/standard/numbered/nan_numbered.png,2026-03-19 02:40:55.612018 +877,nan,,CC(O)C1/C=C/C=C\C(=O)O[C@@H]2C[C@H]3O[C@@H]4[C@@H]5O[C@]5(C)CC[C@]4(COC(=O)C4OC4(C)C(O)CO1)[C@]2(C)C31CO1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +878,nan,,CC(C)[C@@H]1OC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +879,nan,,CC(=O)O[C@H]1CC(=O)OCC2=C3C[C@H]4[C@](O)(COC(=O)/C(C)=C\COC1=O)[C@H]1C[C@H]1[C@]4(C)[C@@H]1C[C@@]4(O)C5=C(C6=C(C)C(=O)O[C@]6(O)C(=O)[C@@]5(C)[C@@H]5C[C@@H]54)[C@]31OC2=O,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +880,nan,,C/C1=C/C(C)CC(C)OC(=O)C(C)NC(=O)C(Cc2ccc(O)c(I)c2)N(C)C(=O)CNC(=O)C(C)C1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +881,nan,,CC(C)C[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +882,nan,,CC(=O)O[C@@]1(C)CC(=O)OC[C@]23CCC(C)=C[C@H]2O[C@@H]2C[C@@H](OC(=O)/C=C\C=C/[C@@H]([C@H](C)O)OC[C@H]1O)[C@@]3(C)[C@]21CO1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +883,nan,,CC1=C2[C@@H]3[C@]45OC(=O)C6=C4C[C@H]4[C@](O)(COC(=O)/C=C(/C)COC(=O)CCC(=O)OC6)[C@H]6C[C@H]6[C@]4(C)[C@@H]5C=C4[C@H]5C[C@H]5[C@](C)(C(=O)[C@@]2(O)OC1=O)[C@@]43O,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +884,nan,,C/C1=C/Cc2ccc([nH]2)C2=N[C@@H](/C=C3C(=C(\C)CCCO)/CO[C@H]/3CC(C)C)[C@@H](COC(=O)[C@@H](CC(C)C)CC(=O)O[C@@H]3[C@@H]1OC(=O)[C@]3(C)CO)O2,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +885,nan,,COc1ccc2cc1C(=O)OC[C@H]1O[C@H](Oc3cc4c(c(OC)c3C)C(=O)C[C@H](O4)c3ccc(OC)c-2c3)[C@H](OC)[C@H](OC)[C@H]1OC,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +886,nan,,C/C1=C/[C@H](C)C[C@H](C)OC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +887,CHEMBL578929,,CC1CC(C)CC(C)C(O)C(C#N)=CC=CCC(C2CCCC2C(=O)O)OC(=O)CC(O)C(C)C1,standard_macrolactone,18.0,,,success,,8.0,"[3, 8, 9, 10, 12, 14, 16, 17]",ring_size_18/standard/numbered/CHEMBL578929_numbered.png,2026-03-19 02:40:55.724530 +888,nan,,C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCc2cn(-c3cnc4ccccc4c3)nn2)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1,standard_macrolactone,18.0,,,success,,8.0,"[3, 8, 9, 10, 12, 14, 16, 17]",ring_size_18/standard/numbered/nan_numbered.png,2026-03-19 02:40:55.770342 +889,nan,,C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@H](/C=C/[C@@H]3CC(C)=CCO3)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3[C@@H](O)C1)O2,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +890,nan,,CC(C)/C=C/C=C/C[C@@H]1NC(=O)[C@H]2C[C@@H](O)CNN2C(=O)COC(=O)[C@](C)(CO)NC(=O)[C@H]2C[C@H](O)CNN2C(=O)[C@H]2C[C@H](Cl)CNN2C1=O,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +891,nan,,C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CC(=O)O3)C[C@@H]3O[C@H]3[C@@H](O)C1)O2,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +892,nan,,C[C@@H]1CCCCCCCCCC[C@H](O)[C@@H](O)[C@@H](O)/C=C\C(=O)O1,standard_macrolactone,18.0,,,success,,4.0,"[3, 14, 15, 16]",ring_size_18/standard/numbered/nan_numbered.png,2026-03-19 02:40:55.821415 +893,nan,,C[C@@H]1CCCCCCCCCC[C@H](O)[C@@H](O)[C@@H](O)CCC(=O)O1,standard_macrolactone,18.0,,,success,,4.0,"[3, 14, 15, 16]",ring_size_18/standard/numbered/nan_numbered.png,2026-03-19 02:40:55.852450 +894,CHEMBL221540,,C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@H](C)[C@H](C)C(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1,standard_macrolactone,18.0,,,success,,8.0,"[3, 8, 9, 10, 12, 14, 16, 17]",ring_size_18/standard/numbered/CHEMBL221540_numbered.png,2026-03-19 02:40:55.896530 +895,nan,,C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(N)=O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1,standard_macrolactone,18.0,,,success,,8.0,"[3, 8, 9, 10, 12, 14, 16, 17]",ring_size_18/standard/numbered/nan_numbered.png,2026-03-19 02:40:55.941839 +896,nan,,CCC(C)C1C(=O)OC(C(C)C)C(=O)N(C)C(C(C)CC)C(=O)OC(C(C)C)C(=O)N(C)C(C(C)CC)C(=O)OC(C(C)C)C(=O)N1C,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +897,CHEMBL4095773,,CC1=C2C3=C4[C@](O)(C[C@H]5[C@@]6(C)[C@@H]7C[C@@H]7[C@@]7(O)COC(=O)/C=C(\C)COC(=O)CCC(=O)OCC8=C(C[C@@H]76)[C@@]35OC8=O)[C@H]3C[C@H]3[C@]4(C)[C@@H](O)[C@@]2(O)OC1=O,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +898,CHEMBL1611678,,CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)[C@@H](C)COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C\[C@H]1C,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +899,nan,,C[C@@H]1CCOC(=O)/C=C/C=C\C(=O)O[C@@H]2C[C@H]3O[C@@H]4[C@@H](Br)[C@](C)(O)CC[C@]4(COC(=O)[C@H]1O)[C@]2(C)[C@]31CO1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +900,nan,,CC1=CC2OC3CC4OC(=O)/C=C\C=C\C(=O)OCCC(C)C(O)C(=O)OCC2(CC1O)C4(C)C31CO1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +901,CHEMBL2206980,,C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(OCc4ncn(C)n4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +902,CHEMBL2206969,,C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(NC)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +903,nan,,C=C1C[C@@H](CCC)OC(=O)[C@@H](C)CCCC[C@@H]2O[C@@H](CC(=O)[C@@H](O)[C@H](C)C1)C[C@@H]2C,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +904,nan,,CC1=C2C3=C4[C@](O)(C[C@H]5[C@@]6(C)[C@@H]7C[C@@H]7[C@@]7(O)COC(=O)/C(C)=C\COC(=O)CCC(=O)OCC8=C(C[C@@H]76)[C@@]35OC8=O)[C@H]3C[C@H]3[C@]4(C)[C@@H](O)[C@@]2(O)OC1=O,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +905,nan,,CC1=C2C3=C4[C@](O)(C[C@H]5[C@@]6(C)[C@@H]7C[C@@H]7[C@@]7(O)COC(=O)/C(C)=C/COC(=O)CCC(=O)OCC8=C(C[C@@H]76)[C@@]35OC8=O)[C@H]3C[C@H]3[C@]4(C)[C@@H](O)[C@]2(O)OC1=O,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +906,CHEMBL1672606,,C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1cc3c(nccc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +907,nan,,CC(C)CCCCCCCCCCCC[C@@H]1O[C@H]2O[C@@H](COC(=O)[C@H](C)[C@@H](CCCCCCCCCCCC(C)C)O[C@@H]3O[C@H](COC(=O)[C@H]1C)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +908,nan,,C/C=C(C)/C=C(\C)C[C@H](C)[C@H](O)[C@@H]1OC(=O)/C(C)=C\c2csc(n2)[C@@H](CO)[C@@H](O)C[C@H](O)/C=C\C=C/C[C@H]1O,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +909,nan,,CC[C@H](C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)O[C@H](C(C)C)C(=O)N1C,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +910,nan,,CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@](C)(C(=O)[C@H](O)C1=C(C)C3C[C@@](O)([C@H](C)OC(=O)CC/C=C\CCC(=O)N[C@@H](c4ccccc4)[C@@H](O)C(=O)O3)C1(C)C)C2,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +911,nan,,CC1=C[C@@H]2O[C@H]3C[C@H]4OC(=O)/C=C\C=C/[C@H]([C@H](C)O)OCC/C(C)=C\C(=O)OC[C@]2(CC1)[C@@]4(C)[C@]31CO1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +912,CHEMBL4065225,,CC(C)C[C@@H]1NC(=O)OC(c2cccc(Cl)c2)CCCCCONC(=O)CC[C@@H](C=O)NC1=O,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +913,nan,,CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C/C(=O)OCC[C@@H](C)[C@H](O)C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +914,nan,,C=C1C[C@H](C)C(=O)[C@@H](O)C[C@H]2C[C@H](C)[C@H](CCCC[C@H](C)C(=O)O[C@H](CCC)C1)O2,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +915,CHEMBL1365512,,Cc1ccc(S(=O)(=O)N[C@H]2COC(=O)C/C=C/[C@@H](C)[C@H]3C=C[C@H](O)[C@@H](COC(=O)C/C=C/[C@H]2C)O3)cc1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +916,nan,,CC(C)[C@@H]1OC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)NC1=O,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +917,CHEMBL3355648,,C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)O)C/C=C/C=C(/CN)[C@H](O)[C@@H](C)C[C@H](C)C1,standard_macrolactone,18.0,,,success,,8.0,"[3, 8, 9, 10, 12, 14, 16, 17]",ring_size_18/standard/numbered/CHEMBL3355648_numbered.png,2026-03-19 02:40:56.126310 +918,nan,,CC[C@H](C)[C@H]1OC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)C(=O)[C@@H](CC(C)C)NC1=O,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +919,nan,,C/C1=C/[C@H](C)C[C@H](C)OC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccc(O)c(Br)c2)N(C)C(=O)CNC(=O)[C@@H](C)C1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +920,CHEMBL2426331,,CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc(N)cc1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +921,nan,,CC1CCOC(=O)/C=C/C=C\C(=O)O[C@@H]2C[C@H]3O[C@@H]4[C@@H]5O[C@]5(C)CC[C@]4(COC(=O)C1O)[C@]2(C)C31CO1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +922,nan,,C/C=C/[C@H]1O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@@H]2OC(=O)/C(OC)=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C/C(C)=C\C=C/[C@H]2OC)C[C@@H](O)[C@@H]1C,standard_macrolactone,18.0,,,success,,10.0,"[3, 4, 8, 10, 11, 12, 13, 14, 16, 18]",ring_size_18/standard/numbered/nan_numbered.png,2026-03-19 02:40:56.205564 +923,nan,,CCCC[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)CC)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CCCC)C(=O)O[C@H](C(C)C)C(=O)N1C,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +924,nan,,C/C=C/C(=O)O[C@H]1C[C@@]23COC(=O)[C@@H](O)[C@H](C)CCO[C@@H]([C@H](C)O)/C=C\C=C\C(=O)O[C@@H]4C[C@@H](O[C@@H]2C=C1C)[C@@]1(CO1)[C@]43C,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +925,nan,,C=C1C[C@@H](CCC)OC(=O)[C@@H](C)CCCC[C@@H]2O[C@@H](C[C@H](O)C(=O)[C@H](C)C1)C[C@@H]2C,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +926,nan,,C=C1C[C@H]2C/C=C\[C@@H](O)[C@@H](C)/C(C)=C\C(=O)O[C@H](C[C@@H](C)[C@H](C)O)[C@@H](C)C/C=C\[C@@](C)(O)[C@@](O)(C1)O2,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +927,nan,,C/C1=C/[C@H](C)C[C@H](C)OC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccc(O)c(I)c2)N(C)C(=O)CNC(=O)[C@@H](C)C1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +928,nan,,C=C1C[C@@H](CC[C@H](C)O)OC(=O)[C@@H](C)CCCC[C@@H]2O[C@H](C[C@@H]2C)C[C@@H](O)C(=O)[C@H](C)C1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +929,nan,,C[C@H]1CC(=O)OC[C@@]23CC[C@@]4(C)O[C@H]4[C@H]2O[C@@H]2C[C@@H](OC(=O)/C=C\C=C/[C@H]([C@H](C)O)OC[C@H]1O)[C@@]3(C)[C@]21CO1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +930,nan,,CC1=C[C@@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C/[C@H]([C@H](C)O)OCC[C@@]5(C)O[C@@H]5C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +931,nan,,C=C1C[C@H](C)C[C@@]2(C)CC=C[C@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@@H](O)C1)O2,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +932,nan,,COC(=O)/C(C)=C1\C(=O)[C@@H](O)[C@@]2(C)C3=C([C@@H](O)[C@@H]4[C@@]5(OC(=O)C6=C5C[C@@H]5[C@@](O)(COC(=O)/C=C(/C)COC(=O)CCC(=O)OC6)[C@@H]6C[C@@H]6[C@]54C)[C@@H]31)[C@@H]1C[C@@H]12,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +933,nan,,CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\C(=O)OCC/C(C)=C/C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +934,CHEMBL1672596,,C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCOCC1)NC(=O)OCCC/C=C/c1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +935,nan,,COC(=O)/C(C)=C1\C(=O)[C@H](O)[C@]2(C)C3=C(C[C@@H]4[C@]5(OC(=O)C6=C5C[C@H]5[C@](O)(COC(=O)/C(C)=C\COC(=O)CCC(=O)OC6)[C@H]6C[C@H]6[C@]45C)[C@H]31)[C@H]1C[C@H]12,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +936,nan,,CC(C)C[C@H]1C(=O)O[C@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N1C,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +937,nan,,C=C1C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2ccc(O)c(Cl)c2)C(=O)N[C@@H](C)C(=O)O[C@@H](C)C[C@@H](C)C1=O,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +938,nan,,CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C/[C@@H]([C@H](C)O)OCC[C@@H](C)[C@H](O)C(=O)OC[C@@]2(CC1)[C@]4(C)[C@@]31CO1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +939,CHEMBL154035,,C=C1C[C@H](O)/C=C/C[C@@H]([C@@H](O)/C=C/[C@@H]2CC(C)=CCO2)OC(=O)/C=C/C[C@@H]2C=CC[C@@H](C[C@@H](C)C1)O2,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +940,nan,,CC(C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O[C@H](C(C)C)C(=O)N1C,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +941,nan,,C=C1C[C@@H]2C/C=C\[C@H](O)[C@H](C)/C(C)=C\C(=O)O[C@H](CC[C@@H](C)[C@H](C)O)[C@@H](C)C/C=C\[C@@](C)(O)[C@](O)(C1)O2,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +942,nan,,C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCc2cn(C34CC5CC(CC(C5)C3)C4)nn2)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1,standard_macrolactone,18.0,,,success,,8.0,"[3, 8, 9, 10, 12, 14, 16, 17]",ring_size_18/standard/numbered/nan_numbered.png,2026-03-19 02:40:56.369999 +943,nan,,CC=C[C@H]1O[C@@](O)([C@H](C)C(O)C(C)[C@@H]2OC(=O)C(OC)=CC(C)=C[C@H](C)[C@H](O)[C@H](CC)[C@H](O)C(C)CC(C)=CC=C[C@H]2OC)C[C@@H](O[C@@H]2C[C@H](O)[C@@H](OC(N)=O)[C@H](C)O2)[C@@H]1C,standard_macrolactone,18.0,,,success,,10.0,"[3, 4, 8, 10, 11, 12, 13, 14, 16, 18]",ring_size_18/standard/numbered/nan_numbered.png,2026-03-19 02:40:56.423516 +944,CHEMBL1414358,,CO[C@H]1COC(=O)[C@@H](CCSC)NC(=O)C/C=C\[C@@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C\[C@@H]1C,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +945,CHEMBL398304,BEAUVERICIN G2,CC[C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](CC)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +946,CHEMBL347678,,C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@H](/C=C/[C@@H]3CC(C)=CCO3)OC(C)=O)C[C@@H]3O[C@H]3[C@@H](OC(C)=O)C1)O2,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +947,nan,,CO[C@@]12OC(=O)C(C)=C1C1=C3[C@](O)(C[C@H]4[C@@]5(C)[C@@H]6C[C@@H]6[C@@]6(O)COC(=O)/C=C(/C)COC(=O)CCC(=O)OCC7=C(C[C@@H]65)[C@@]14OC7=O)[C@H]1C[C@H]1[C@]3(C)[C@H]2O,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +948,nan,,C=C1[C@@H](OC)C/C=C\[C@@H](O[C@@H]2O[C@H](OC)[C@@H](O)[C@H](OC)[C@H]2O)CC(=O)O[C@@H](/C=C(/C)C/C=C/C)C/C=C\C=C/C[C@H](C)[C@@H]1OO,standard_macrolactone,18.0,,,success,,6.0,"[3, 10, 11, 12, 13, 17]",ring_size_18/standard/numbered/nan_numbered.png,2026-03-19 02:40:56.490165 +949,nan,,C/C1=C\C(=O)OC[C@]23CCC(CO)=C[C@H]2O[C@@H]2C[C@@H](OC(=O)/C=C\C=C\[C@H]([C@@H](C)O)OCC1)[C@@]3(C)[C@]21CO1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +950,nan,,CC(C)/C=C/C=C/C[C@@H]1NC(=O)[C@H]2C[C@@H](O)CNN2C(=O)COC(=O)[C@](C)(CO)NC(=O)[C@@H]2C[C@H](O)CNN2C(=O)[C@H]2C[C@H](Cl)CNN2C1=O,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +951,CHEMBL2206973,,C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(O)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +952,CHEMBL2206982,,C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc4nccn4c3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +953,nan,,CC1=C[C@@H]2O[C@H]3[C@@H](O)[C@H]4OC(=O)/C=C\C=C/[C@H]([C@H](C)O)OCC/C(C)=C\C(=O)OC[C@]2(CC1)[C@@]4(C)[C@]31CO1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +954,nan,,C/C1=C\C(=O)OC[C@]23CC[C@]4(C)O[C@H]4[C@H]2O[C@@H]2C[C@@H](OC(=O)/C=C\C=C\[C@H]4O[C@H](C1)O[C@@H]4C)[C@@]3(C)[C@]21CO1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +955,nan,,C=C1CCC[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H](CO)C/C=C/[C@@H](O)C1)O2,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +956,nan,,C/C1=C/[C@H](C)C[C@H](C)OC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1,non_standard_macrocycle,18.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +957,CHEMBL1076535,PALMYRAMIDE A,CCC[C@H]1OC(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C)OC(=O)C1(C)C,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +958,nan,,C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@H](C)CC)[C@H](C)OC(=O)[C@H](C(C)C)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +959,nan,,C=CCCC[C@@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H]1C,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +960,nan,,CC[C@H](C)C[C@H](C)C[C@@H](C)/C=C(\C)[C@@H]1O[C@](O)([C@](C)(O)C(=O)N[C@H]2C(=O)N3NCCC[C@@H]3C(=O)N(O)CC(=O)N(C)CC(=O)NCC(=O)N(C)CC(=O)O[C@@H]2C(C)C)CC[C@H]1OC,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +961,nan,,CC[C@H](C)[C@]1(C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +962,nan,,CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)CNC(=O)CCCC(C)C)[C@H](C)OC(=O)[C@H](C(C)C)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +963,nan,,CC[C@H](C)C[C@H]1CC[C@](O)([C@](C)(O)C(=O)N[C@@H]2C(=O)N3NCCC[C@@H]3C(=O)N(O)[C@@H](C)C(=O)NCC(=O)N3NCCC[C@H]3C(=O)N[C@H](C)C(=O)O[C@H]2C(C)C)O[C@@H]1C,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +964,nan,,CC[C@H](C)C[C@H]1CC[C@](O)([C@](C)(O)C(=O)N[C@@H]2C(=O)N3NCCC[C@@H]3C(=O)N(OC)[C@@H](C)C(=O)NCC(=O)N3NCCC[C@H]3C(=O)N(C)[C@H](C)C(=O)O[C@H]2C(C)C)O[C@@H]1C,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +965,nan,,C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCC(C)C)C(C)C)[C@@H](C)O)C(C)C)[C@H](C)CC)[C@H](C)OC(=O)[C@H](C(C)C)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +966,nan,,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@@H](C)CCN2C(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)N(C)C1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +967,nan,,C=C1C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@@H](c2ccc(O)cc2)CC(=O)O[C@@H](C)C[C@@H](C)C1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +968,nan,,CC(C)CCCCC(C)(C)CCC[C@@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O1,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +969,nan,,C/C1=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +970,nan,,C/C=C/C1CC2C(=O)OC(C)C(NC(=O)C(CC3CC3[N+](=O)[O-])NC(=O)c3ccc(Cl)n3O)C(=O)NC(C(C)c3ccccc3)C(=O)NC(CC3CC3[N+](=O)[O-])C(=O)NC(C(C)c3ccccc3)C(=O)NC(C(C)CC)C(=O)N2C1,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +971,nan,,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)c(Cl)c2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](O)COS(=O)(=O)O)[C@@H](C)OC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +972,nan,,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc2ccc(O)cc2)[C@@H](C)OC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +973,nan,,C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@H](C)CC)[C@H](C)OC(=O)[C@H](C(C)C)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +974,nan,,C/C=C1\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](COS(=O)(=O)[O-])OC)[C@@H](C)CC)[C@@H](C)OC(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +975,nan,,C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)CCCC(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@H](C)CC)[C@H](C)OC(=O)[C@H](C(C)C)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +976,nan,,C=CC[C@@H]1OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +977,CHEMBL2204319,,C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCC/C=C/c1ccc3ccnc(c3c1)O2)C(=O)NS(=O)(=O)C1CC1,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +978,nan,,CC(C)[C@@H]1NC(=O)[C@@H]2CSCSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)c3cnc4ccccc4n3)COC1=O)C(=O)N[C@@H](C(C)C)C(=O)OC[C@@H](NC(=O)c1cnc3ccccc3n1)C(=O)N[C@@H](C)C(=O)N2,non_standard_macrocycle,19.0,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +979,nan,,CCCCCC[C@@H]1CC[C@@](O)([C@](C)(O)C(=O)N[C@@H]2C(=O)N3NCCC[C@H]3C(=O)N(O)[C@@H](COC)C(=O)NCC(=O)N3NCCC[C@H]3C(=O)N(O)[C@H](C)C(=O)O[C@@H]2C)O[C@H]1C,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +980,nan,,O=C1CCCCCCCCCCC(=O)OCCOCCO1,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +981,nan,,CCC[C@H]1NC(=O)c2csc(n2)[C@H](C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)OC(=O)[C@@H]1C,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +982,nan,,C/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCCc3ccc(cc3)Oc3cc(ccc3O)CCOC(=O)C[C@H]21,non_standard_macrocycle,19.0,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +983,nan,,CCC[C@H]1OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +984,nan,,CC[C@@H]1NC(=O)[C@@H](C)C/C(C)=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +985,nan,,CC(C)[C@H]1C(=O)OC[C@@H](NC(=O)c2cnc3ccccc3n2)C(=O)N[C@@H](C)C(=O)N(C)[C@H]2CSCSC[C@@H](C(=O)N1C)N(C)C(=O)[C@H](C)NC(=O)[C@H](NC(=O)c1cnc3ccccc3n1)COC(=O)[C@H](C(C)C)N(C)C2=O,non_standard_macrocycle,19.0,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +986,nan,,C/C1=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](C)C1,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +987,nan,,C/C=C\C=C\C=C/C=C/C=C\C=C/C=C/C=C/C(=O)N(C)[C@@H]1C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[C@@H]1C,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +988,nan,,C/C=C1\NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](C)CC)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CCCC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@H](C)CC)[C@H](C)OC(=O)[C@H](C(C)C)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +989,nan,,C/C=C1\NC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@H](C)CC)[C@H](C)OC(=O)[C@H](C(C)C)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +990,nan,,C/C1=C/[C@@H](O)C[C@H](C)CCO[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(COC1=O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +991,nan,,CCCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]2CC[C@@H](O)N(C2=O)[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](Cc2ccc(O)c(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C)[C@@H](C)O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +992,nan,,CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H](CCCCN(C)C)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +993,nan,,C/C=C1/[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)OC=C2C(=O)OCCc3ccc(cc3)Oc3cc(ccc3O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CCOC(=O)C[C@@H]21,non_standard_macrocycle,19.0,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +994,nan,,C=CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H]([C@@H](C)[C@H](O)/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)CC1=O)[C@H](C)C[C@@H]2OC,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +995,CHEMBL1532000,,CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)CCC[C@H]1C,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +996,nan,,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +997,CHEMBL1159823,PROTEOLYTIC ENZYME INHIBITOR,CC(C)C[C@H]1C(=O)N(C)[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](O)COS(=O)(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]2CC[C@H](O)N1C2=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +998,nan,,C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCC(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)[C@H](C)CC)[C@H](C)OC(=O)[C@H](C(C)C)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +999,nan,,C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@H](C)CC)[C@@H](C)OC(=O)[C@H](C(C)C)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1000,CHEMBL3823434,,COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3cc(-c4ccc5c(c4)OCCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N4CCC[C@H]4c4ncc-5[nH]4)ccc3c2[nH]1)C(C)C,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1001,nan,,C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(F)(F)F)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@H](C)CC)[C@H](C)OC(=O)[C@H](C(C)C)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1002,nan,,CC(C)[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](NC(=O)C[C@H](O)CCCCCCCCCCCCN=C(N)N)[C@H](C)OC(=O)[C@@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@H](C)O)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1003,CHEMBL402405,MICROPEPTIN T2,CCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1004,nan,,CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1005,nan,,C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@H](C)CC)[C@H](C)OC(=O)[C@H](C(C)C)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1006,nan,,COc1cc(O)c2c(c1)/C=C/CC(=O)NCCCCNC(=O)CCC[C@H](C)OC2=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1007,nan,,CC(C)CC1CCC(O)(C(C)(O)C(=O)NC2C(=O)N3NCCCC3C(=O)N(O)C(C)C(=O)N(C)C(Cc3ccccc3)C(=O)N3NCCCC3C(=O)NC(CO)C(=O)OC2C(C)C)OC1C,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1008,nan,,C/C(Br)=C\[C@@H]1Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C/C(C)=C/C=C/C(=O)O1,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1009,nan,,CO[C@@H]1/C=C\C=C/C[C@H](OC)c2coc(n2)C[C@@H](O)C(C)(C)[C@@H](C[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)C1,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1010,nan,,CCCCC(C)C1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O1,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1011,nan,,C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)OC(=O)[C@H](C(C)C)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1012,nan,,CO[C@]1(C[C@@H]2C(=O)N[C@@H](c3ccc(O)cc3)CC(=O)O[C@@H](C)C[C@@H](C)/C=C(/C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N2C)OC(=O)Nc2ccccc21,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1013,CHEMBL396293,,C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CCCC(C)C)C(C)C)[C@H](C)OC(C)=O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)OC(=O)[C@H](C(C)C)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1014,nan,,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCCNC)NC(=O)[C@@H](NC(=O)[C@H](O)COS(=O)(=O)O)[C@@H](C)OC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1015,nan,,CC[C@H](C)[C@H]1NC(=O)C(Cc2ccc(OC)cc2)NC(=O)[C@@H](NC(=O)[C@@H](NC=O)[C@H](C)CC)[C@@H](C)OC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCNN2C1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1016,nan,,CC(C)[C@@H]1OC(=O)[C@@H](C)N(O)C(=O)[C@@H]2CCCNN2C(=O)CNC(=O)[C@H](C)N(O)C(=O)[C@H]2CCCNN2C(=O)[C@H]1NC(=O)[C@@](C)(O)CCCc1ccccc1,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1017,CHEMBL1076833,,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](CO)OS(=O)(=O)O)[C@@H](C)OC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1018,nan,,C/C=C1\NC(=O)[C@H](CCC2CCCCC2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CCCC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@H](C)CC)[C@H](C)OC(=O)[C@H](C(C)C)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1019,nan,,CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1020,nan,,C/C=C1\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](COS(=O)(=O)O)OC)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1021,nan,,C=C/C=C(\C)[C@H](O)CC[C@@H](C)/C=C/[C@H]1CC[C@H](C)C(=O)CC(=O)N[C@@H](C)CCC(=O)[C@H](C)[C@@H](O)[C@@H](C)/C=C(/C)C(=O)O1,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1022,CHEMBL256304,MICROPEPTIN SD944,CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1023,CHEMBL1077010,MOLASSAMIDE,C/C=C1\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CCC)[C@@H](C)O)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1024,nan,,CCC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)CCl)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1025,nan,,CCCCCCCC1OC1C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]c3ccc(O)cc23)C(=O)N[C@@H](c2ccc(O)cc2)C(=O)NCC(=O)O[C@@H]1C,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1026,nan,,C=C1NC(CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N2NCCCC2C(=O)CC(CC(C)C)C(=O)N2NCCCC2C(=O)OC(C)[C@H]1NC(=O)[C@@H](NC=O)[C@@H](C)CC,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1027,CHEMBL519769,MICROPEPTIN 88 E,CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](O)N(C2=O)[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@@H]1C)C(=O)O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1028,CHEMBL1076830,,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](O)CO)[C@@H](C)OC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1029,nan,,CC(C)[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCCCNC(=N)N)[C@@H](C)OC(=O)[C@@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@@H](C)O)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1030,nan,,C/C1=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1031,nan,,C/C1=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](C)C1,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1032,CHEMBL3577228,,CCCCCC/C=C\CCC[C@@H]1CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O1,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1033,nan,,C/C=C1\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](COS(=O)(=O)[O-])OC)[C@@H](C)CC)[C@@H](C)OC(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1034,nan,,CC(=O)O[C@]1(C)CC(=O)OC[C@@H]2CC(C)=C[C@H]3O[C@@H]4C[C@@H](OC(=O)/C=C\C=C/[C@@H]([C@H](C)O)OC[C@@H]1O)[C@](C)([C@@H]32)[C@@]41CO1,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1035,nan,,CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)[C@H](CS[C@@H]3CN4CCC3CC4)CN2C(=O)[C@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1036,CHEMBL539419,ISARIDIN C2,CC(C)CC1OC(=O)CCNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C(C)CCN2C1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1037,nan,,C/C=C1\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](COS(=O)(=O)O)OC)C(C)C)[C@@H](C)OC(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1038,CHEMBL1783105,VERAGUAMIDE A,CC[C@H](C)[C@@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H](C)[C@@H](CCCC#CBr)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1039,nan,,C#CCCC[C@H]1OC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]1C,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1040,nan,,C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)c(Br)c2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1041,nan,,CCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H]2CC[C@H](O)N(C2=O)[C@@H](CC(C)C)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C,non_standard_macrocycle,19.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1042,CHEMBL605826,,C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1(C)CCCCC1)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1043,CHEMBL1524593,,CO[C@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@@H](C)COC(=O)C/C=C\[C@@H]1C,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1044,nan,,CCC/C=C/C=C/C(=O)O[C@H]1C2=CC(=O)O[C@@H]2[C@H]2C[C@H](C(C)=O)OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C/C(=C\C(=O)OC)C[C@H](/C=C\C(C)(C)[C@]1(O)O2)O4)O3,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1045,nan,,C=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H]1CC[C@@H](C)C[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@H](O)[C@H](C)/C=C/C=C\C(=O)O1,standard_macrolactone,20.0,,,success,,8.0,"[3, 6, 8, 9, 10, 13, 15, 16]",ring_size_20/standard/numbered/nan_numbered.png,2026-03-19 02:40:57.290303 +1046,nan,,CO[C@H]1/C=C\C=C(/C)C(=O)OCc2cn(nn2)C[C@@H](C)C[C@H](OC)[C@H](OC)[C@@H](C)C(=O)O[C@H]1CO[Si](C)(C)C(C)(C)C,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1047,nan,,CCCC(=O)O[C@H]1C[C@H]2C[C@@H](O)CC(=O)O[C@@H]([C@@H](C)O)C[C@H]3C/C(=C\C(=O)OC)[C@@H](OC(=O)CCC)[C@](O)(O3)C(C)(C)/C=C\[C@H]3C/C(=C\C(=O)OC)C[C@@H](C[C@](O)(O2)C1(C)C)O3,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1048,nan,,C=C(C)CC(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C\C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O1,standard_macrolactone,20.0,,,success,,5.0,"[3, 5, 11, 12, 15]",ring_size_20/standard/numbered/nan_numbered.png,2026-03-19 02:40:57.337729 +1049,nan,,CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](OC)[C@@H](O)/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@]13CO3)O2,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1050,CHEMBL599873,,C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC1(CCCCc3cccc4c3CN(C4)C(=O)O2)CCC1)C(=O)NS(=O)(=O)C1CC1,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1051,nan,,CCCC(=O)O[C@H]1C[C@H]2C[C@@H](O)CC(=O)O[C@@H]([C@@H](C)O)C[C@@H]3C/C(=C\C(=O)OC)[C@@H](OC(C)=O)[C@@](O)(O3)C(C)(C)/C=C\[C@H]3C/C(=C/C(=O)OC)C[C@@H](C[C@](O)(O2)C1(C)C)O3,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1052,CHEMBL501873,,CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)C(=O)CC1CC1,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1053,nan,,CC(C)CC1NC(=O)C(C(C)C)NC(=O)CC(C)COC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)OC1=O,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1054,nan,,CC[C@@H]1/C=C\[C@H](O)[C@H](C=C(C)C)OC(=O)/C(C)=C\CC(=O)Nc2cc(O)cc3c2O/C(=C\C(=O)CC1)C=C3,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1055,nan,,COC(=O)/C=C1/C[C@H]2C[C@]3(O)O[C@@H](C[C@H](OC(=O)CC(C)C)C3(C)C)C[C@@H](O)CC(=O)O[C@@H]([C@@H](C)O)C[C@@H]3C/C(=C\C(=O)OC)[C@H](OC(C)=O)[C@@](O)(O3)C(C)(C)/C=C\[C@@H](C1)O2,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1056,CHEMBL3674588,,CCCCCCCCCCCC/C=C/c1ccc([C@@H]2C[C@@H]3CCO[C@H](/C=C/C(C)(C)[C@]4(O)O[C@@H](C/C(=C\C(=O)OC)[C@@H]4OC(=O)CCCCCCC)C[C@H](CO)OC(=O)C[C@H](O)CCO2)O3)cc1,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1057,nan,,CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](O)C[C@H](OC)[C@@H]1C)O2,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1058,nan,,CC[C@H]1/C=C\[C@H](O)[C@H](C=C(C)C)OC(=O)/C(C)=C\CC(=O)Nc2cc(O)cc3c2O/C(=C\C(=O)CC1)C(C)=C3,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1059,CHEMBL1514135,,CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H](C)COC(=O)C/C=C\[C@H]1C,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1060,CHEMBL454218,IPOMOEASSIN B,C/C=C(\C)C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@H](COC(=O)CCC(=O)CCCCCC[C@H](CCC)O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O2)[C@H]1OC(=O)/C=C/c1ccccc1,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1061,nan,,CCCCC[C@H]1CCCCCCCCCC(=O)OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]3O1)[C@H](O[C@@H]1O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]1OC(=O)[C@@H](C)CC)[C@@H](O)[C@@H]2O,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1062,CHEMBL527062,,C=CC1CC1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)P(C)(=O)O,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1063,CHEMBL94864,,O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNC(=O)OC/C=C/COc2ccc(Cl)cc2CN1,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1064,nan,,CC(C)C[C@H]1NC(=O)CO[C@@H]2C/C=C\C=C/C=C\C[C@@H](O)[C@@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@](C)(OC(=O)[C@@H]3C[C@@H](CC[C@H]3O)NC(=O)[C@@H](C(C)C)NC1=O)O[C@@H](C)C2,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1065,CHEMBL1256598,,CC1(C)CCCCc2cccc3c2CN(C3)C(=O)O[C@@H]2C[C@@H](C(=O)N[C@@H]3BOCC3)N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)OC1,non_standard_macrocycle,20.0,contains_non_carbon_ring_atoms_outside_positions_1_2,Ring positions 3..N contain non-carbon atoms.,skipped,,,,, +1066,nan,,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5[C@@H](C)C[C@H](O)[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3[C@@H](C)C(=O)C[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@H]2CO)c(N)c1=O,not_macrolactone,,classification_error,Multiple valid macrolactone candidates were detected. Pass ring_size explicitly.,skipped,,,,, +1067,nan,,Cc1ccc(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c2c1Oc1c(c(C(=O)N[C@H]3C(=O)N[C@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]3C)c3nc(-c4ccc(Cl)cc4Cl)c(=O)oc3c1C)N2,not_macrolactone,,classification_error,Multiple valid macrolactone candidates were detected. Pass ring_size explicitly.,skipped,,,,, +1068,nan,,Cc1c2oc3c(C)cnc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O,not_macrolactone,,classification_error,Multiple valid macrolactone candidates were detected. Pass ring_size explicitly.,skipped,,,,, +1069,CHEMBL3218172,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)/C(=N\OCc5cc(OC)c(OC)c(OC)c5)[C@H](C)C[C@@]4(C)OC)[C@@H]3O)[C@H]2O)[C@](C)(OC)C[C@@H](C)/C(=N/OCc2cc(OC)c(OC)c(OC)c2)[C@H](C)[C@@H](O)[C@]1(C)O,not_macrolactone,,classification_error,Multiple valid macrolactone candidates were detected. Pass ring_size explicitly.,skipped,,,,, +1070,nan,,CCCCCc1c(CO)cc(C2C#CC3CC(=O)Oc4cc(O)c(cc43)CC3OC(=O)/C(=C/CCc4cccc(c4)CC4CC(CCC4=O)C3(O)CCC)C2)cc1NCC(C)O,non_standard_macrocycle,,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +1071,nan,,CCCCCc1c(CO)cc(C2C#CC3CC(=O)Oc4c3cc(c(O)c4C3C=CC=CC3)CC3OC(=O)/C(=C/C(O)Cc4cccc(c4)CC4CC(CCC4=O)C3(O)CCC)C2)cc1NCC(C)O,non_standard_macrocycle,,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +1072,nan,,COC(=O)C[C@@H]1C(=O)CC[C@H](C)C(=O)O[C@H]2[C@@H](OC(C)=O)[C@]3(COC1=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(=O)[C@](C)(O)[C@H](C)c4ccncc4C(=O)OC[C@]4(C)O[C@@]3([C@H](OC(C)=O)[C@@H]24)[C@@]1(C)O,not_macrolactone,,classification_error,Multiple valid macrolactone candidates were detected. Pass ring_size explicitly.,skipped,,,,, +1073,nan,,CCCCNc1c(C(=O)N[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]2C)c2nc3c(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)ccc(C)c3oc-2c(C)c1=O,not_macrolactone,,classification_error,Multiple valid macrolactone candidates were detected. Pass ring_size explicitly.,skipped,,,,, +1074,nan,,CC[C@@H]1OC(=O)C[C@H](O)[C@@H](C)[C@H](OC2OC(C)C(O)C(N(C)C)C2O)[C@H](CCNCC[C@H]2C[C@@H](C)C(=O)/C=C/C(C)=C/C(COC3OC(C)C(O)C(OC)C3OC)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]2OC2OC(C)C(O)C(N(C)C)C2O)C[C@H](C)C(=O)/C=C/C(C)=C/C1COC1OC(C)C(O)C(OC)C1OC,not_macrolactone,,classification_error,Multiple valid macrolactone candidates were detected. Pass ring_size explicitly.,skipped,,,,, +1075,nan,,CC(O)CNc1cc(CO)cc(C2C#CC3CC(=O)Oc4cc(O)c(cc43)CC3OC(=O)/C(=C/C(O)C4(CCCC4)c4cccc(c4)CC4C(=O)CCC5C4CCCC35O)C2)c1,non_standard_macrocycle,,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +1076,nan,,CCc1nc2c(C(=O)N[C@@H]3C(=O)N[C@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]3C)c3c(c(C)c2oc1=O)Oc1c(C)ccc(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c1N3,not_macrolactone,,classification_error,Multiple valid macrolactone candidates were detected. Pass ring_size explicitly.,skipped,,,,, +1077,nan,,CCCC1(O)C2CCC(=O)C(Cc3cccc(c3)CC(O)/C=C3\CC(c4cc(CO)cc(NCC(C)(O)CCOC5CCCC5)c4)C#CC4CC(=O)Oc5c4cc(c(O)c5C4CCCCC4)CC1OC3=O)C2,non_standard_macrocycle,,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +1078,nan,,COCCC(C)(O)CNc1cc(CO)cc(C2C#CC3CC(=O)Oc4cc(O)c(cc43)CC3OC(=O)/C(=C/CCc4cccc(c4)CC4CC(CCC4=O)C3(C)O)C2)c1,non_standard_macrocycle,,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +1079,nan,,CCCCCCCCCCCNc1c(C(=O)N[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]2C)c2nc3c(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)ccc(C)c3oc-2c(C)c1=O,not_macrolactone,,classification_error,Multiple valid macrolactone candidates were detected. Pass ring_size explicitly.,skipped,,,,, +1080,nan,,C[C@H]1CCCCC[C@@H](O)C(=O)[C@H](S[C@@H]2CC(=O)O[C@@H](C)CCCCC[C@@H](O)C2=O)CC(=O)O1,not_macrolactone,,classification_error,Multiple valid macrolactone candidates were detected. Pass ring_size explicitly.,skipped,,,,, +1081,nan,,Cc1c2oc3c(C)c(OCC4CN4)cc(C(=O)NC4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)NC2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]2C)c(N)c1=O,not_macrolactone,,classification_error,Multiple valid macrolactone candidates were detected. Pass ring_size explicitly.,skipped,,,,, +1082,nan,,CCN1CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)c2c3c(c(C)c4oc(=O)c(-c5ccccc5)nc24)Oc2c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c2N3)C(=O)N[C@H](C(C)C)C(=O)N2CCC[C@H]2C1=O,not_macrolactone,,classification_error,Multiple valid macrolactone candidates were detected. Pass ring_size explicitly.,skipped,,,,, +1083,nan,,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]2C)c(NCCCCCCCCCCN)c1=O,not_macrolactone,,classification_error,Multiple valid macrolactone candidates were detected. Pass ring_size explicitly.,skipped,,,,, +1084,CHEMBL4073368,,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5[C@@H](C)C[C@H](O)[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CC(=O)C[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@@H]2C)c(N)c1=O,not_macrolactone,,classification_error,Multiple valid macrolactone candidates were detected. Pass ring_size explicitly.,skipped,,,,, +1085,CHEMBL2369146,,Cc1c2oc3c(C)c(OCC4CO4)cc(C(=O)N[C@@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]2C)c(N)c1=O,not_macrolactone,,classification_error,Multiple valid macrolactone candidates were detected. Pass ring_size explicitly.,skipped,,,,, +1086,nan,,CCCC1(O)C2CCC(=O)C(Cc3cccc(c3)C3(CCCC3)C(O)/C=C3\CC(c4cc(CO)cc(NCC(C)O)c4)C#CC4CC(=O)Oc5c4cc(c(O)c5C4C=CC=CC4)CC1OC3=O)C2,non_standard_macrocycle,,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +1087,nan,,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]2C)c(NCCCCCN)c1=O,not_macrolactone,,classification_error,Multiple valid macrolactone candidates were detected. Pass ring_size explicitly.,skipped,,,,, +1088,CHEMBL2369550,,CC[C@@H](C)[C@H]1NC(=O)CN(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H]([C@H](C)CC)NC(=O)[C@@H](NC(=O)c2c3nc4c(C(=O)N[C@@H]5C(=O)N[C@H]([C@H](C)CC)C(=O)N6CCC[C@H]6C(=O)N(C)CC(=O)N[C@H]([C@H](C)CC)C(=O)O[C@@H]5C)ccc(C)c4oc-3c(C)c(=O)c2N)[C@@H](C)OC1=O,not_macrolactone,,classification_error,Multiple valid macrolactone candidates were detected. Pass ring_size explicitly.,skipped,,,,, +1089,nan,,CCCC1(O)C2CCC(=O)C(Cc3cccc(c3)CC/C=C3\CC(c4cc(NCC(C)O)cc(C(O)CNC)c4)C#CC4CC(=O)Oc5cc(O)c(cc54)CC1OC3=O)C2,non_standard_macrocycle,,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +1090,nan,,C/C=C1\NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H]2CC(=O)O[C@H](C(=O)O)[C@H](NC1=O)C(=O)N[C@@H]([C@H](O)CCl)C(=O)OC[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)C(=O)N[C@H](CCN)C(=O)N2,non_standard_macrocycle,,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +1091,nan,,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H]([C@H](C)O)C(=O)N5CCC[C@@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]2C)c(N)c1=O,not_macrolactone,,classification_error,Multiple valid macrolactone candidates were detected. Pass ring_size explicitly.,skipped,,,,, +1092,nan,,Cc1c2oc3c(C)c(OC(=O)Cc4ccc(Cl)c(Cl)c4)cc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]2C)c(N)c1=O,not_macrolactone,,classification_error,Multiple valid macrolactone candidates were detected. Pass ring_size explicitly.,skipped,,,,, +1093,nan,,Cc1c2oc3c(C)c(NCc4ccc(C(F)(F)F)cc4)cc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O,not_macrolactone,,classification_error,Multiple valid macrolactone candidates were detected. Pass ring_size explicitly.,skipped,,,,, +1094,nan,,CC1(O)C2CCC(=O)C(Cc3ccc4c(c3)CC(O)/C(=C3\CC(c5cc(O)cc(CO)c5)C#CC5CC(=O)Oc6cc(O)c(cc65)CC1OC3=O)CC4)C2,non_standard_macrocycle,,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +1095,nan,,CCCC1(O)C2CCC(=O)C(Cc3cccc(c3)CC(O)/C=C3\CC(c4cc(O)cc(C(O)CNC)c4)C#CC4CC(=O)Oc5cc(O)c(cc54)CC1OC3=O)C2,non_standard_macrocycle,,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +1096,nan,,CC(O)CNc1cc(CO)cc(C2C#CC3CC(=O)Oc4cc(O)c(cc43)CC3OC(=O)/C(=C4\CCc5ccc(cc5CC4)CC4CC(CCC4=O)C3(C)O)C2)c1,non_standard_macrocycle,,multiple_overlapping_macrocycle_candidates,Overlapping macrolactone candidate rings were detected.,skipped,,,,, +1097,nan,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CCN(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]4[C@@H](C)[C@H](O[C@H]5C[C@@](C)(OC)[C@@H](O)[C@H](C)O5)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)/C(=N\OCc5ccccc5)[C@H](C)C[C@@]4(C)O)[C@@H]3O)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O,not_macrolactone,,classification_error,Multiple valid macrolactone candidates were detected. Pass ring_size explicitly.,skipped,,,,, diff --git a/validation_output/summary_statistics.json b/validation_output/summary_statistics.json new file mode 100644 index 0000000..73742de --- /dev/null +++ b/validation_output/summary_statistics.json @@ -0,0 +1,24 @@ +{ + "total_molecules": 1097, + "by_classification": { + "non_standard_macrocycle": 617, + "standard_macrolactone": 459, + "not_macrolactone": 21 + }, + "by_ring_size": { + "14.0": 301, + "16.0": 187, + "15.0": 161, + "12.0": 141, + "19.0": 85, + "18.0": 80, + "13.0": 67, + "20.0": 24, + "17.0": 19 + }, + "by_status": { + "skipped": 638, + "success": 367, + "failed": 92 + } +} \ No newline at end of file