312 KiB
312 KiB
| 1 | 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 2 | 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 | ||||||
| 3 | 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 | ||||||
| 4 | 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 | ||||||
| 5 | 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 | ||||||
| 6 | 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 | ||||||
| 7 | 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 | ||||||
| 8 | 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 | ||||
| 9 | 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 | ||||||
| 10 | 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 | ||||
| 11 | 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 | ||||
| 12 | 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 | ||||||
| 13 | 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 | |||||
| 14 | 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 | ||||
| 15 | 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 | |||||
| 16 | 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 | ||||||
| 17 | 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 | ||||||
| 18 | 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 | ||||
| 19 | 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 | |||||
| 20 | 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 | ||||||
| 21 | 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 | ||||||
| 22 | 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 | ||||||
| 23 | 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 | ||||||
| 24 | 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 | ||||
| 25 | 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 | ||||||
| 26 | 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 | |||||
| 27 | 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 | ||||||
| 28 | 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 | ||||||
| 29 | 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 | ||||
| 30 | 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 | ||||||
| 31 | 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 | ||||||
| 32 | 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 | ||||
| 33 | 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 | |||||
| 34 | 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 | ||||||
| 35 | 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 | ||||||
| 36 | 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 | |||||
| 37 | 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 | ||||||
| 38 | 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 | ||||||
| 39 | 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 | ||||||
| 40 | 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 | ||||
| 41 | 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 | ||||||
| 42 | 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 | ||||||
| 43 | 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 | ||||||
| 44 | 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 | ||||
| 45 | 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 | ||||||
| 46 | 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 | ||||||
| 47 | 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 | ||||||
| 48 | 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 | ||||
| 49 | 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 | ||||
| 50 | 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 | ||||
| 51 | 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 | ||||||
| 52 | 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 | ||||||
| 53 | 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 | ||||||
| 54 | 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 | ||||||
| 55 | 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 | ||||
| 56 | 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 | ||||||
| 57 | 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 | ||||||
| 58 | 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 | ||||
| 59 | 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 | ||||||
| 60 | 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 | ||||||
| 61 | 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 | ||||||
| 62 | 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 | ||||||
| 63 | 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 | ||||||
| 64 | 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 | ||||||
| 65 | 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 | |||||
| 66 | 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 | ||||||
| 67 | 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 | ||||||
| 68 | 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 | ||||||
| 69 | 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 | |||||
| 70 | 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 | ||||
| 71 | 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 | ||||||
| 72 | 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 | ||||
| 73 | 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 | ||||||
| 74 | 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 | ||||
| 75 | 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 | ||||||
| 76 | 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 | ||||||
| 77 | 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 | ||||||
| 78 | 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 | ||||||
| 79 | 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 | ||||
| 80 | 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 | ||||||
| 81 | 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 | ||||||
| 82 | 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 | ||||||
| 83 | 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 | ||||||
| 84 | 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 | ||||||
| 85 | 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 | ||||||
| 86 | 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 | ||||||
| 87 | 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 | ||||
| 88 | 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 | ||||||
| 89 | 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 | ||||||
| 90 | 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 | ||||||
| 91 | 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 | ||||||
| 92 | 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 | ||||||
| 93 | 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 | ||||||
| 94 | 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 | ||||||
| 95 | 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 | ||||||
| 96 | 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 | ||||||
| 97 | 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 | ||||||
| 98 | 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 | ||||||
| 99 | 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 | ||||
| 100 | 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 | ||||
| 101 | 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 | ||||||
| 102 | 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 | ||||||
| 103 | 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 | ||||
| 104 | 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 | ||||||
| 105 | 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 | ||||||
| 106 | 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 | |||||
| 107 | 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 | ||||||
| 108 | 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 | |||||
| 109 | 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 | ||||||
| 110 | 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 | ||||||
| 111 | 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 | |||||
| 112 | 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 | ||||||
| 113 | 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 | ||||||
| 114 | 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 | ||||||
| 115 | 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 | |||||
| 116 | 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 | ||||||
| 117 | 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 | |||||
| 118 | 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 | ||||||
| 119 | 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 | ||||
| 120 | 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 | ||||||
| 121 | 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 | ||||||
| 122 | 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 | ||||||
| 123 | 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 | ||||
| 124 | 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 | |||||
| 125 | 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 | ||||||
| 126 | 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 | ||||
| 127 | 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 | ||||||
| 128 | 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 | ||||||
| 129 | 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 | |||||
| 130 | 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 | ||||
| 131 | 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 | ||||
| 132 | 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 | ||||||
| 133 | 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 | ||||||
| 134 | 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 | ||||||
| 135 | 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 | ||||||
| 136 | 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 | ||||||
| 137 | 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 | |||||
| 138 | 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 | ||||||
| 139 | 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 | ||||
| 140 | 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 | ||||||
| 141 | 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 | ||||||
| 142 | 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 | ||||
| 143 | 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 | ||||||
| 144 | 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 | ||||||
| 145 | 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 | ||||||
| 146 | 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 | ||||
| 147 | 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 | ||||||
| 148 | 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 | ||||||
| 149 | 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 | ||||||
| 150 | 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 | ||||||
| 151 | 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 | ||||||
| 152 | 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 | ||||
| 153 | 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 | ||||
| 154 | 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 | ||||
| 155 | 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 | ||||||
| 156 | 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 | ||||||
| 157 | 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 | ||||||
| 158 | 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 | ||||||
| 159 | 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 | ||||||
| 160 | 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 | |||||
| 161 | 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 | ||||||
| 162 | 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 | ||||
| 163 | 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 | ||||||
| 164 | 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 | |||||
| 165 | 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 | ||||||
| 166 | 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 | |||||
| 167 | 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 | ||||||
| 168 | 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 | |||||
| 169 | 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 | ||||||
| 170 | 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 | ||||
| 171 | 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 | ||||||
| 172 | 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 | ||||||
| 173 | 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 | ||||||
| 174 | 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 | ||||
| 175 | 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 | ||||||
| 176 | 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 | |||||
| 177 | 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 | ||||||
| 178 | 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 | ||||||
| 179 | 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 | |||||
| 180 | 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 | |||||
| 181 | 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 | ||||||
| 182 | 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 | ||||
| 183 | 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 | |||||
| 184 | 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 | ||||||
| 185 | 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 | ||||||
| 186 | 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 | ||||||
| 187 | 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 | ||||||
| 188 | 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 | ||||
| 189 | 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 | ||||
| 190 | 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 | ||||||
| 191 | 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 | ||||||
| 192 | 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 | ||||||
| 193 | 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 | ||||||
| 194 | 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 | ||||||
| 195 | 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 | ||||||
| 196 | 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 | ||||||
| 197 | 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 | ||||||
| 198 | 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 | ||||||
| 199 | 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 | |||||
| 200 | 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 | ||||||
| 201 | 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 | ||||||
| 202 | 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 | ||||
| 203 | 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 | ||||||
| 204 | 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 | |||||
| 205 | 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 | ||||||
| 206 | 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 | |||||
| 207 | 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 | ||||
| 208 | 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 | ||||||
| 209 | 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 | ||||||
| 210 | 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 | ||||
| 211 | 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 | ||||
| 212 | 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 | ||||
| 213 | 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 | ||||||
| 214 | 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 | ||||
| 215 | 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 | ||||||
| 216 | 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 | ||||
| 217 | 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 | ||||
| 218 | 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 | ||||
| 219 | 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 | ||||
| 220 | 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 | ||||
| 221 | 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 | ||||
| 222 | 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 | |||||
| 223 | 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 | ||||
| 224 | 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 | |||||
| 225 | 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 | ||||
| 226 | 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 | ||||
| 227 | 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 | ||||
| 228 | 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 | ||||
| 229 | 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 | |||||
| 230 | 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 | ||||
| 231 | 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 | ||||
| 232 | 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 | |||||
| 233 | 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 | ||||
| 234 | 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 | ||||||
| 235 | 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 | ||||||
| 236 | 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 | |||||
| 237 | 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 | ||||||
| 238 | 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 | ||||
| 239 | 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 | ||||||
| 240 | 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 | ||||
| 241 | 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 | ||||
| 242 | 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 | ||||
| 243 | 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 | ||||
| 244 | 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 | ||||||
| 245 | 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 | ||||
| 246 | 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 | ||||||
| 247 | 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 | ||||
| 248 | 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 | |||||
| 249 | 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 | ||||||
| 250 | 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 | ||||
| 251 | 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 | ||||
| 252 | 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 | ||||
| 253 | 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 | |||||
| 254 | 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 | ||||
| 255 | 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 | ||||
| 256 | 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 | ||||
| 257 | 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 | ||||
| 258 | 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 | ||||
| 259 | 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 | |||
| 260 | 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 | |||||
| 261 | 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 | ||||
| 262 | 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 | ||||
| 263 | 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 | ||||
| 264 | 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 | ||||
| 265 | 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 | |||||
| 266 | 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 | |||||
| 267 | 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 | |||||
| 268 | 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 | ||||
| 269 | 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 | ||||
| 270 | 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 | ||||
| 271 | 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 | ||||||
| 272 | 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 | ||||
| 273 | 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 | ||||||
| 274 | 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 | ||||
| 275 | 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 | ||||
| 276 | 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 | |||||
| 277 | 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 | ||||
| 278 | 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 | ||||||
| 279 | 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 | ||||||
| 280 | 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 | ||||
| 281 | 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 | ||||||
| 282 | 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 | ||||||
| 283 | 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 | |||||
| 284 | 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 | ||||||
| 285 | 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 | ||||
| 286 | 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 | |||||
| 287 | 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 | |||||
| 288 | 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 | ||||
| 289 | 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 | ||||
| 290 | 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 | ||||
| 291 | 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 | ||||
| 292 | 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 | |||||
| 293 | 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 | ||||
| 294 | 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 | |||||
| 295 | 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 | ||||
| 296 | 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 | ||||
| 297 | 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 | ||||||
| 298 | 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 | ||||
| 299 | 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 | ||||
| 300 | 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 | ||||
| 301 | 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 | ||||||
| 302 | 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 | ||||
| 303 | 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 | ||||
| 304 | 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 | ||||||
| 305 | 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 | ||||
| 306 | 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 | |||||
| 307 | 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 | ||||||
| 308 | 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 | ||||
| 309 | 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 | |||||
| 310 | 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 | ||||
| 311 | 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 | |||||
| 312 | 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 | ||||
| 313 | 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 | ||||||
| 314 | 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 | ||||
| 315 | 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 | |||||
| 316 | 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 | ||||||
| 317 | 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 | ||||
| 318 | 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 | ||||
| 319 | 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 | ||||
| 320 | 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 | ||||
| 321 | 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 | |||||
| 322 | 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 | ||||
| 323 | 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 | ||||
| 324 | 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 | |||||
| 325 | 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 | ||||
| 326 | 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 | |||||
| 327 | 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 | ||||
| 328 | 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 | ||||
| 329 | 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 | ||||
| 330 | 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 | ||||
| 331 | 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 | ||||
| 332 | 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 | ||||
| 333 | 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 | ||||
| 334 | 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 | ||||
| 335 | 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 | ||||
| 336 | 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 | ||||||
| 337 | 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 | ||||||
| 338 | 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 | ||||
| 339 | 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 | |||||
| 340 | 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 | ||||||
| 341 | 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 | ||||
| 342 | 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 | ||||||
| 343 | 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 | ||||
| 344 | 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 | ||||
| 345 | 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 | ||||
| 346 | 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 | ||||
| 347 | 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 | |||||
| 348 | 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 | ||||
| 349 | 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 | ||||||
| 350 | 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 | ||||
| 351 | 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 | ||||
| 352 | 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 | ||||
| 353 | 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 | ||||
| 354 | 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 | ||||
| 355 | 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 | |||||
| 356 | 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 | ||||||
| 357 | 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 | ||||
| 358 | 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 | |||||
| 359 | 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 | ||||
| 360 | 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 | ||||
| 361 | 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 | ||||
| 362 | 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 | |||||
| 363 | 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 | ||||
| 364 | 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 | ||||
| 365 | 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 | ||||
| 366 | 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 | ||||
| 367 | 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 | ||||||
| 368 | 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 | ||||
| 369 | 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 | ||||
| 370 | 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 | ||||
| 371 | 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 | ||||||
| 372 | 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 | ||||
| 373 | 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 | |||||
| 374 | 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 | ||||
| 375 | 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 | ||||
| 376 | 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 | ||||
| 377 | 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 | ||||||
| 378 | 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 | |||||
| 379 | 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 | ||||
| 380 | 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 | |||||
| 381 | 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 | ||||||
| 382 | 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 | ||||
| 383 | 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 | ||||
| 384 | 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 | ||||||
| 385 | 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 | |||||
| 386 | 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 | |||||
| 387 | 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 | |||||
| 388 | 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 | ||||
| 389 | 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 | ||||
| 390 | 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 | ||||
| 391 | 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 | ||||
| 392 | 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 | ||||
| 393 | 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 | ||||
| 394 | 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 | ||||||
| 395 | 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 | ||||
| 396 | 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 | ||||
| 397 | 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 | |||||
| 398 | 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 | |||||
| 399 | 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 | ||||
| 400 | 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 | ||||
| 401 | 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 | ||||
| 402 | 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 | |||||
| 403 | 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 | ||||
| 404 | 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 | ||||||
| 405 | 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 | ||||
| 406 | 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 | ||||
| 407 | 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 | ||||||
| 408 | 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 | ||||
| 409 | 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 | ||||
| 410 | 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 | |||||
| 411 | 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 | |||||
| 412 | 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 | ||||
| 413 | 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 | ||||
| 414 | 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 | ||||
| 415 | 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 | ||||
| 416 | 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 | ||||||
| 417 | 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 | |||||
| 418 | 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 | ||||
| 419 | 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 | ||||
| 420 | 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 | ||||
| 421 | 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 | |||||
| 422 | 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 | ||||
| 423 | 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 | ||||
| 424 | 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 | ||||||
| 425 | 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 | ||||
| 426 | 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 | ||||
| 427 | 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 | ||||||
| 428 | 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 | ||||
| 429 | 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 | ||||
| 430 | 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 | ||||
| 431 | 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 | ||||
| 432 | 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 | ||||
| 433 | 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 | ||||
| 434 | 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 | ||||||
| 435 | 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 | ||||||
| 436 | 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 | ||||
| 437 | 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 | ||||
| 438 | 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 | ||||||
| 439 | 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 | ||||
| 440 | 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 | ||||
| 441 | 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 | |||||
| 442 | 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 | ||||
| 443 | 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 | ||||
| 444 | 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 | ||||
| 445 | 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 | ||||
| 446 | 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 | ||||
| 447 | 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 | ||||||
| 448 | 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 | ||||
| 449 | 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 | ||||
| 450 | 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 | |||||
| 451 | 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 | ||||
| 452 | 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 | ||||
| 453 | 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 | ||||
| 454 | 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 | ||||
| 455 | 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 | |||||
| 456 | 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 | ||||
| 457 | 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 | ||||
| 458 | 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 | |||||
| 459 | 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 | ||||
| 460 | 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 | ||||||
| 461 | 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 | |||||
| 462 | 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 | ||||
| 463 | 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 | ||||
| 464 | 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 | ||||
| 465 | 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 | |||||
| 466 | 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 | ||||
| 467 | 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 | ||||||
| 468 | 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 | ||||
| 469 | 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 | |||||
| 470 | 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 | ||||||
| 471 | 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 | ||||
| 472 | 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 | ||||
| 473 | 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 | ||||
| 474 | 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 | ||||
| 475 | 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 | ||||
| 476 | 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 | ||||
| 477 | 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 | ||||
| 478 | 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 | ||||
| 479 | 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 | ||||
| 480 | 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 | |||||
| 481 | 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 | ||||
| 482 | 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 | ||||
| 483 | 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 | ||||
| 484 | 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 | ||||||
| 485 | 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 | ||||||
| 486 | 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 | ||||
| 487 | 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 | ||||||
| 488 | 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 | ||||
| 489 | 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 | ||||||
| 490 | 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 | ||||||
| 491 | 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 | ||||
| 492 | 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 | ||||
| 493 | 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 | |||||
| 494 | 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 | ||||||
| 495 | 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 | ||||
| 496 | 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 | ||||
| 497 | 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 | |||||
| 498 | 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 | |||||
| 499 | 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 | ||||
| 500 | 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 | |||||
| 501 | 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 | |||||
| 502 | 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 | ||||
| 503 | 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 | ||||
| 504 | 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 | ||||
| 505 | 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 | ||||
| 506 | 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 | ||||
| 507 | 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 | |||||
| 508 | 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 | ||||
| 509 | 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 | |||||
| 510 | 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 | ||||||
| 511 | 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 | ||||||
| 512 | 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 | ||||||
| 513 | 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 | ||||||
| 514 | 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 | ||||||
| 515 | 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 | ||||||
| 516 | 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 | ||||||
| 517 | 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 | ||||||
| 518 | 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 | ||||||
| 519 | 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 | ||||||
| 520 | 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 | ||||||
| 521 | 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 | ||||||
| 522 | 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 | ||||||
| 523 | 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 | ||||||
| 524 | 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 | ||||||
| 525 | 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 | ||||||
| 526 | 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 | ||||||
| 527 | 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 | ||||||
| 528 | 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 | ||||||
| 529 | 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 | ||||||
| 530 | 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 | ||||||
| 531 | 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 | ||||||
| 532 | 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 | ||||
| 533 | 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 | ||||||
| 534 | 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 | ||||||
| 535 | 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 | ||||||
| 536 | 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 | ||||||
| 537 | 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 | ||||||
| 538 | 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 | ||||||
| 539 | 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 | ||||||
| 540 | 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 | ||||||
| 541 | 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 | ||||||
| 542 | 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 | ||||||
| 543 | 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 | ||||||
| 544 | 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 | ||||||
| 545 | 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 | ||||||
| 546 | 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 | ||||||
| 547 | 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 | ||||||
| 548 | 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 | ||||||
| 549 | 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 | ||||||
| 550 | 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 | ||||||
| 551 | 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 | ||||||
| 552 | 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 | ||||||
| 553 | 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 | ||||||
| 554 | 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 | ||||||
| 555 | 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 | ||||||
| 556 | 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 | ||||||
| 557 | 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 | ||||||
| 558 | 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 | ||||||
| 559 | 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 | ||||||
| 560 | 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 | ||||||
| 561 | 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 | ||||||
| 562 | 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 | ||||||
| 563 | 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 | ||||||
| 564 | 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 | ||||||
| 565 | 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 | ||||||
| 566 | 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 | ||||||
| 567 | 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 | ||||||
| 568 | 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 | ||||||
| 569 | 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 | ||||||
| 570 | 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 | ||||||
| 571 | 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 | ||||||
| 572 | 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 | ||||||
| 573 | 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 | ||||||
| 574 | 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 | ||||||
| 575 | 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 | ||||||
| 576 | 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 | ||||||
| 577 | 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 | ||||||
| 578 | 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 | ||||||
| 579 | 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 | ||||||
| 580 | 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 | ||||||
| 581 | 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 | ||||||
| 582 | 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 | ||||||
| 583 | 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 | ||||||
| 584 | 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 | ||||||
| 585 | 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 | ||||||
| 586 | 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 | ||||||
| 587 | 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 | ||||||
| 588 | 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 | ||||||
| 589 | 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 | ||||||
| 590 | 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 | ||||||
| 591 | 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 | ||||||
| 592 | 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 | ||||||
| 593 | 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 | |||||
| 594 | 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 | ||||||
| 595 | 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 | ||||||
| 596 | 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 | ||||||
| 597 | 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 | ||||||
| 598 | 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 | ||||||
| 599 | 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 | ||||||
| 600 | 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 | ||||||
| 601 | 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 | |||||
| 602 | 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 | ||||||
| 603 | 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 | ||||||
| 604 | 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 | ||||||
| 605 | 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 | ||||||
| 606 | 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 | ||||||
| 607 | 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 | ||||||
| 608 | 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 | ||||||
| 609 | 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 | ||||||
| 610 | 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 | ||||||
| 611 | 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 | ||||||
| 612 | 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 | ||||||
| 613 | 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 | ||||||
| 614 | 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 | ||||||
| 615 | 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 | ||||||
| 616 | 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 | ||||||
| 617 | 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 | ||||||
| 618 | 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 | ||||||
| 619 | 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 | ||||||
| 620 | 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 | ||||||
| 621 | 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 | ||||||
| 622 | 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 | ||||||
| 623 | 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 | ||||||
| 624 | 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 | ||||||
| 625 | 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 | ||||||
| 626 | 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 | ||||||
| 627 | 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 | ||||
| 628 | 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 | ||||||
| 629 | 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 | ||||||
| 630 | 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 | ||||||
| 631 | 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 | ||||||
| 632 | 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 | ||||||
| 633 | 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 | ||||||
| 634 | 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 | ||||||
| 635 | 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 | ||||
| 636 | 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 | |||||
| 637 | 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 | ||||||
| 638 | 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 | ||||||
| 639 | 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 | ||||||
| 640 | 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 | ||||||
| 641 | 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 | ||||||
| 642 | 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 | ||||||
| 643 | 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 | ||||||
| 644 | 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 | ||||||
| 645 | 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 | ||||||
| 646 | 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 | ||||||
| 647 | 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 | ||||||
| 648 | 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 | ||||||
| 649 | 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 | ||||||
| 650 | 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 | ||||||
| 651 | 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 | ||||||
| 652 | 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 | ||||||
| 653 | 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 | ||||||
| 654 | 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 | ||||||
| 655 | 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 | ||||||
| 656 | 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 | ||||||
| 657 | 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 | ||||||
| 658 | 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 | ||||||
| 659 | 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 | ||||||
| 660 | 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 | ||||||
| 661 | 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 | ||||||
| 662 | 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 | ||||||
| 663 | 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 | ||||||
| 664 | 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 | ||||||
| 665 | 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 | ||||||
| 666 | 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 | ||||||
| 667 | 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 | ||||||
| 668 | 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 | ||||||
| 669 | 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 | ||||||
| 670 | 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 | ||||||
| 671 | 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 | ||||||
| 672 | 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 | ||||
| 673 | 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 | ||||
| 674 | 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 | ||||
| 675 | 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 | ||||
| 676 | 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 | ||||||
| 677 | 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 | ||||||
| 678 | 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 | ||||
| 679 | 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 | ||||
| 680 | 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 | ||||||
| 681 | 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 | ||||||
| 682 | 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 | ||||
| 683 | 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 | ||||
| 684 | 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 | ||||
| 685 | 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 | ||||
| 686 | 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 | ||||||
| 687 | 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 | ||||
| 688 | 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 | ||||||
| 689 | 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 | ||||
| 690 | 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 | ||||
| 691 | 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 | ||||||
| 692 | 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 | ||||||
| 693 | 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 | ||||
| 694 | 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 | ||||
| 695 | 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 | ||||||
| 696 | 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 | ||||||
| 697 | 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 | ||||
| 698 | 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 | ||||
| 699 | 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 | ||||
| 700 | 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 | ||||
| 701 | 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 | ||||
| 702 | 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 | ||||||
| 703 | 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 | ||||
| 704 | 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 | ||||||
| 705 | 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 | ||||||
| 706 | 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 | ||||||
| 707 | 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 | ||||||
| 708 | 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 | ||||
| 709 | 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 | ||||
| 710 | 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 | ||||
| 711 | 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 | ||||
| 712 | 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 | ||||
| 713 | 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 | ||||
| 714 | 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 | ||||
| 715 | 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 | ||||
| 716 | 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 | ||||
| 717 | 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 | ||||
| 718 | 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 | ||||||
| 719 | 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 | ||||
| 720 | 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 | ||||
| 721 | 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 | ||||
| 722 | 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 | |||
| 723 | 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 | ||||||
| 724 | 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 | ||||
| 725 | 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 | ||||
| 726 | 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 | ||||
| 727 | 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 | ||||
| 728 | 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 | ||||||
| 729 | 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 | ||||||
| 730 | 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 | ||||
| 731 | 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 | ||||
| 732 | 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 | ||||||
| 733 | 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 | ||||
| 734 | 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 | ||||
| 735 | 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 | ||||
| 736 | 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 | ||||||
| 737 | 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 | ||||||
| 738 | 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 | ||||
| 739 | 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 | ||||
| 740 | 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 | ||||||
| 741 | 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 | |||
| 742 | 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 | ||||
| 743 | 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 | ||||||
| 744 | 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 | ||||
| 745 | 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 | ||||||
| 746 | 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 | ||||
| 747 | 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 | ||||||
| 748 | 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 | ||||
| 749 | 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 | ||||
| 750 | 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 | ||||
| 751 | 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 | ||||||
| 752 | 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 | ||||
| 753 | 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 | ||||||
| 754 | 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 | ||||
| 755 | 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 | ||||
| 756 | 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 | ||||||
| 757 | 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 | ||||
| 758 | 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 | ||||
| 759 | 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 | ||||
| 760 | 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 | ||||
| 761 | 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 | ||||
| 762 | 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 | ||||
| 763 | 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 | |||||
| 764 | 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 | ||||
| 765 | 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 | ||||
| 766 | 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 | ||||
| 767 | 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 | |||||
| 768 | 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 | ||||
| 769 | 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 | ||||
| 770 | 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 | ||||
| 771 | 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 | ||||
| 772 | 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 | ||||||
| 773 | 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 | ||||
| 774 | 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 | ||||
| 775 | 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 | ||||
| 776 | 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 | ||||||
| 777 | 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 | ||||
| 778 | 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 | ||||
| 779 | 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 | ||||||
| 780 | 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 | ||||
| 781 | 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 | ||||||
| 782 | 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 | ||||
| 783 | 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 | ||||
| 784 | 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 | ||||
| 785 | 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 | ||||||
| 786 | 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 | ||||||
| 787 | 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 | |||||
| 788 | 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 | ||||||
| 789 | 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 | ||||||
| 790 | 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 | ||||||
| 791 | 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 | ||||||
| 792 | 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 | ||||
| 793 | 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 | ||||
| 794 | 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 | ||||
| 795 | 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 | ||||||
| 796 | 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 | ||||
| 797 | 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 | ||||
| 798 | 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 | ||||
| 799 | 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 | ||||||
| 800 | 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 | ||||
| 801 | 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 | ||||||
| 802 | 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 | ||||||
| 803 | 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 | ||||||
| 804 | 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 | ||||
| 805 | 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 | ||||
| 806 | 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 | ||||
| 807 | 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 | ||||||
| 808 | 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 | ||||
| 809 | 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 | ||||
| 810 | 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 | ||||||
| 811 | 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 | ||||||
| 812 | 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 | ||||
| 813 | 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 | ||||
| 814 | 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 | ||||||
| 815 | 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 | ||||||
| 816 | 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 | ||||||
| 817 | 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 | ||||||
| 818 | 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 | ||||||
| 819 | 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 | ||||
| 820 | 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 | ||||
| 821 | 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 | ||||||
| 822 | 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 | ||||||
| 823 | 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 | ||||||
| 824 | 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 | ||||
| 825 | 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 | ||||||
| 826 | 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 | ||||
| 827 | 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 | ||||||
| 828 | 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 | ||||
| 829 | 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 | ||||
| 830 | 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 | ||||
| 831 | 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 | ||||
| 832 | 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 | ||||||
| 833 | 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 | ||||
| 834 | 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 | ||||
| 835 | 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 | ||||
| 836 | 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 | ||||||
| 837 | 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 | ||||
| 838 | 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 | ||||
| 839 | 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 | ||||||
| 840 | 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 | ||||||
| 841 | 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 | ||||
| 842 | 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 | ||||
| 843 | 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 | ||||
| 844 | 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 | ||||
| 845 | 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 | ||||
| 846 | 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 | ||||
| 847 | 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 | ||||
| 848 | 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 | ||||
| 849 | 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 | ||||
| 850 | 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 | ||||
| 851 | 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 | ||||||
| 852 | 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 | ||||||
| 853 | 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 | ||||
| 854 | 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 | ||||
| 855 | 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 | ||||||
| 856 | 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 | ||||
| 857 | 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 | ||||||
| 858 | 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 | ||||||
| 859 | 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 | ||||||
| 860 | 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 | ||||||
| 861 | 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 | ||||||
| 862 | 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 | |||||
| 863 | 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 | ||||||
| 864 | 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 | ||||||
| 865 | 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 | ||||||
| 866 | 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 | |||||
| 867 | 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 | ||||||
| 868 | 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 | ||||||
| 869 | 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 | ||||||
| 870 | 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 | ||||||
| 871 | 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 | ||||||
| 872 | 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 | ||||||
| 873 | 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 | |||||
| 874 | 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 | |||||
| 875 | 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 | ||||||
| 876 | 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 | ||||||
| 877 | 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 | |||||
| 878 | 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 | ||||||
| 879 | 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 | ||||||
| 880 | 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 | ||||||
| 881 | 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 | ||||||
| 882 | 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 | ||||||
| 883 | 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 | ||||||
| 884 | 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 | ||||||
| 885 | 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 | ||||||
| 886 | 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 | ||||||
| 887 | 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 | ||||||
| 888 | 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 | ||||
| 889 | 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 | ||||
| 890 | 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 | ||||||
| 891 | 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 | ||||||
| 892 | 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 | ||||||
| 893 | 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 | ||||
| 894 | 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 | ||||
| 895 | 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 | ||||
| 896 | 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 | ||||
| 897 | 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 | ||||||
| 898 | 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 | ||||||
| 899 | 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 | ||||||
| 900 | 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 | ||||||
| 901 | 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 | ||||||
| 902 | 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 | ||||||
| 903 | 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 | ||||||
| 904 | 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 | ||||||
| 905 | 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 | ||||||
| 906 | 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 | ||||||
| 907 | 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 | ||||||
| 908 | 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 | ||||||
| 909 | 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 | ||||||
| 910 | 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 | ||||||
| 911 | 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 | ||||||
| 912 | 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 | ||||||
| 913 | 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 | ||||||
| 914 | 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 | ||||||
| 915 | 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 | ||||||
| 916 | 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 | ||||||
| 917 | 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 | ||||||
| 918 | 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 | ||||
| 919 | 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 | ||||||
| 920 | 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 | ||||||
| 921 | 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 | ||||||
| 922 | 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 | ||||||
| 923 | 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 | ||||
| 924 | 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 | ||||||
| 925 | 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 | ||||||
| 926 | 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 | ||||||
| 927 | 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 | ||||||
| 928 | 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 | ||||||
| 929 | 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 | ||||||
| 930 | 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 | ||||||
| 931 | 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 | ||||||
| 932 | 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 | ||||||
| 933 | 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 | ||||||
| 934 | 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 | ||||||
| 935 | 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 | ||||||
| 936 | 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 | ||||||
| 937 | 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 | ||||||
| 938 | 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 | ||||||
| 939 | 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 | ||||||
| 940 | 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 | ||||||
| 941 | 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 | ||||||
| 942 | 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 | ||||||
| 943 | 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 | ||||
| 944 | 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 | ||||
| 945 | 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 | ||||||
| 946 | 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 | |||||
| 947 | 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 | ||||||
| 948 | 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 | ||||||
| 949 | 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 | ||||
| 950 | 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 | ||||||
| 951 | 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 | ||||||
| 952 | 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 | ||||||
| 953 | 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 | ||||||
| 954 | 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 | ||||||
| 955 | 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 | ||||||
| 956 | 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 | ||||||
| 957 | 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 | ||||||
| 958 | 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 | |||||
| 959 | 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 | ||||||
| 960 | 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 | ||||||
| 961 | 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 | ||||||
| 962 | 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 | ||||||
| 963 | 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 | ||||||
| 964 | 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 | ||||||
| 965 | 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 | ||||||
| 966 | 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 | ||||||
| 967 | 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 | ||||||
| 968 | 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 | ||||||
| 969 | 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 | ||||||
| 970 | 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 | ||||||
| 971 | 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 | ||||||
| 972 | 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 | ||||||
| 973 | 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 | ||||||
| 974 | 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 | ||||||
| 975 | 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 | ||||||
| 976 | 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 | ||||||
| 977 | 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 | ||||||
| 978 | 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 | ||||||
| 979 | 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 | ||||||
| 980 | 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 | ||||||
| 981 | 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 | ||||||
| 982 | 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 | ||||||
| 983 | 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 | ||||||
| 984 | 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 | ||||||
| 985 | 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 | ||||||
| 986 | 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 | ||||||
| 987 | 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 | ||||||
| 988 | 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 | ||||||
| 989 | 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 | ||||||
| 990 | 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 | ||||||
| 991 | 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 | ||||||
| 992 | 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 | ||||||
| 993 | 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 | ||||||
| 994 | 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 | ||||||
| 995 | 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 | ||||||
| 996 | 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 | ||||||
| 997 | 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 | ||||||
| 998 | 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 | |||||
| 999 | 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 | ||||||
| 1000 | 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 | ||||||
| 1001 | 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 | ||||||
| 1002 | 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 | ||||||
| 1003 | 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 | ||||||
| 1004 | 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 | |||||
| 1005 | 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 | ||||||
| 1006 | 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 | ||||||
| 1007 | 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 | ||||||
| 1008 | 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 | ||||||
| 1009 | 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 | ||||||
| 1010 | 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 | ||||||
| 1011 | 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 | ||||||
| 1012 | 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 | ||||||
| 1013 | 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 | ||||||
| 1014 | 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 | ||||||
| 1015 | 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 | ||||||
| 1016 | 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 | ||||||
| 1017 | 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 | ||||||
| 1018 | 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 | ||||||
| 1019 | 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 | ||||||
| 1020 | 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 | ||||||
| 1021 | 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 | ||||||
| 1022 | 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 | ||||||
| 1023 | 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 | |||||
| 1024 | 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 | |||||
| 1025 | 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 | ||||||
| 1026 | 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 | ||||||
| 1027 | 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 | ||||||
| 1028 | 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 | |||||
| 1029 | 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 | ||||||
| 1030 | 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 | ||||||
| 1031 | 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 | ||||||
| 1032 | 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 | ||||||
| 1033 | 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 | ||||||
| 1034 | 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 | ||||||
| 1035 | 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 | ||||||
| 1036 | 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 | ||||||
| 1037 | 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 | |||||
| 1038 | 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 | ||||||
| 1039 | 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 | |||||
| 1040 | 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 | ||||||
| 1041 | 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 | ||||||
| 1042 | 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 | ||||||
| 1043 | 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 | ||||||
| 1044 | 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 | ||||||
| 1045 | 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 | ||||||
| 1046 | 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 | ||||
| 1047 | 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 | ||||||
| 1048 | 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 | ||||||
| 1049 | 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 | ||||
| 1050 | 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 | ||||||
| 1051 | 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 | ||||||
| 1052 | 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 | ||||||
| 1053 | 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 | ||||||
| 1054 | 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 | ||||||
| 1055 | 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 | ||||||
| 1056 | 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 | ||||||
| 1057 | 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 | ||||||
| 1058 | 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 | ||||||
| 1059 | 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 | ||||||
| 1060 | 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 | ||||||
| 1061 | 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 | |||||
| 1062 | 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 | ||||||
| 1063 | 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 | ||||||
| 1064 | 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 | ||||||
| 1065 | 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 | ||||||
| 1066 | 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 | ||||||
| 1067 | 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 | |||||||
| 1068 | 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 | |||||||
| 1069 | 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 | |||||||
| 1070 | 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 | |||||||
| 1071 | 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 | |||||||
| 1072 | 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 | |||||||
| 1073 | 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 | |||||||
| 1074 | 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 | |||||||
| 1075 | 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 | |||||||
| 1076 | 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 | |||||||
| 1077 | 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 | |||||||
| 1078 | 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 | |||||||
| 1079 | 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 | |||||||
| 1080 | 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 | |||||||
| 1081 | 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 | |||||||
| 1082 | 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 | |||||||
| 1083 | 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 | |||||||
| 1084 | 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 | |||||||
| 1085 | 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 | |||||||
| 1086 | 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 | |||||||
| 1087 | 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 | |||||||
| 1088 | 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 | |||||||
| 1089 | 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 | |||||||
| 1090 | 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 | |||||||
| 1091 | 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 | |||||||
| 1092 | 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 | |||||||
| 1093 | 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 | |||||||
| 1094 | 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 | |||||||
| 1095 | 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 | |||||||
| 1096 | 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 | |||||||
| 1097 | 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 | |||||||
| 1098 | 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 |