{ "$defs": { "Modification": { "additionalProperties": false, "properties": { "position": { "minimum": 1, "title": "Position", "type": "integer" }, "residue": { "maxLength": 1, "minLength": 1, "title": "Residue", "type": "string" }, "ccd": { "minLength": 1, "title": "Ccd", "type": "string" } }, "required": [ "position", "residue", "ccd" ], "title": "Modification", "type": "object" }, "Molecule": { "additionalProperties": false, "properties": { "sequence": { "title": "Sequence", "type": "string" }, "modifications": { "items": { "$ref": "#/$defs/Modification" }, "title": "Modifications", "type": "array" }, "bonds": { "items": { "maxItems": 4, "minItems": 4, "prefixItems": [ { "type": "integer" }, { "type": "string" }, { "type": "integer" }, { "type": "string" } ], "type": "array" }, "title": "Bonds", "type": "array" }, "n_terminus": { "default": "free", "title": "N Terminus", "type": "string" }, "c_terminus": { "default": "free", "title": "C Terminus", "type": "string" }, "smiles": { "anyOf": [ { "type": "string" }, { "type": "null" } ], "default": null, "title": "Smiles" } }, "required": [ "sequence" ], "title": "Molecule", "type": "object" } }, "additionalProperties": false, "properties": { "molecule": { "$ref": "#/$defs/Molecule" }, "parent_ids": { "items": { "type": "string" }, "title": "Parent Ids", "type": "array" }, "generator": { "title": "Generator", "type": "string" }, "revision": { "title": "Revision", "type": "string" } }, "required": [ "molecule", "generator", "revision" ], "title": "Candidate", "type": "object" }