create-insert-script.sql

-- Drop part
ALTER TABLE `msb_block` DROP FOREIGN KEY FK_BLOCK_CONTAINER_ID;
ALTER TABLE `msb_block_family` DROP FOREIGN KEY FK_BLOCK_FAMILY_CONTAINER_ID;
ALTER TABLE `msb_modification` DROP FOREIGN KEY FK_MODIFICATION_CONTAINER_ID;
ALTER TABLE `msb_organism` DROP FOREIGN KEY FK_ORGANISM_CONTAINER_ID;
ALTER TABLE `msb_sequence_family` DROP FOREIGN KEY FK_SEQUENCE_FAMILY_CONTAINER_ID;
ALTER TABLE `msb_u2c` DROP FOREIGN KEY FK_U2C_USER_ID;
ALTER TABLE `msb_u2c` DROP FOREIGN KEY FK_U2C_CONTAINER_ID;
ALTER TABLE `msb_b2f` DROP FOREIGN KEY FK_B2F_BLOCK_ID;
ALTER TABLE `msb_b2f` DROP FOREIGN KEY FK_B2F_FAMILY_ID;
ALTER TABLE `msb_b2s` DROP FOREIGN KEY FK_B2S_SEQUENCE_ID;
ALTER TABLE `msb_b2s` DROP FOREIGN KEY FK_B2S_BLOCK_ID;
ALTER TABLE `msb_b2s` DROP FOREIGN KEY FK_B2S_NEXT_BLOCK_ID;
ALTER TABLE `msb_b2s` DROP FOREIGN KEY FK_B2S_BRANCH_REFERENCE_ID;
ALTER TABLE `msb_sequence` DROP FOREIGN KEY FK_SEQUENCE_CONTAINER_ID;
ALTER TABLE `msb_sequence` DROP FOREIGN KEY FK_SEQUENCE_N_MODIFICATION_ID;
ALTER TABLE `msb_sequence` DROP FOREIGN KEY FK_SEQUENCE_C_MODIFICATION_ID;
ALTER TABLE `msb_sequence` DROP FOREIGN KEY FK_SEQUENCE_B_MODIFICATION_ID;
ALTER TABLE `msb_s2f` DROP FOREIGN KEY FK_S2F_SEQUENCE_ID;
ALTER TABLE `msb_s2f` DROP FOREIGN KEY FK_S2F_FAMILY_ID;
ALTER TABLE `msb_s2o` DROP FOREIGN KEY FK_S2O_ORGANISM_ID;
ALTER TABLE `msb_s2o` DROP FOREIGN KEY FK_S2O_SEQUENCE_ID;
DROP TABLE IF EXISTS `msb_container`;
DROP TABLE IF EXISTS  `msb_b2f`;
DROP TABLE IF EXISTS  `msb_b2s`;
DROP TABLE IF EXISTS  `msb_block`;
DROP TABLE IF EXISTS  `msb_block_family`;
DROP TABLE IF EXISTS  `msb_condition`;
DROP TABLE IF EXISTS  `msb_modification`;
DROP TABLE IF EXISTS  `msb_organism`;
DROP TABLE IF EXISTS  `msb_s2f`;
DROP TABLE IF EXISTS  `msb_s2o`;
DROP TABLE IF EXISTS  `msb_sequence`;
DROP TABLE IF EXISTS  `msb_sequence_family`;
DROP TABLE IF EXISTS  `msb_setup`;
DROP TABLE IF EXISTS  `msb_u2c`;
DROP TABLE IF EXISTS  `msb_user`;


CREATE TABLE `msb_container` (id INT AUTO_INCREMENT NOT NULL, container_name VARCHAR(255) NOT NULL, visibility VARCHAR(10) NOT NULL, PRIMARY KEY(id)) DEFAULT CHARACTER SET utf8mb4 COLLATE `utf8mb4_unicode_ci` ENGINE = InnoDB;
CREATE TABLE `msb_b2f` (id INT AUTO_INCREMENT NOT NULL, block_id INT NOT NULL, family_id INT NOT NULL, INDEX IDX_88D539BFE9ED820C (block_id), INDEX IDX_88D539BFC35E566A (family_id), PRIMARY KEY(id)) DEFAULT CHARACTER SET utf8mb4 COLLATE `utf8mb4_unicode_ci` ENGINE = InnoDB;
CREATE TABLE `msb_b2s` (id INT AUTO_INCREMENT NOT NULL, sequence_id INT NOT NULL, block_id INT NOT NULL, next_block_id INT DEFAULT NULL, branch_reference_id INT DEFAULT NULL, is_branch TINYINT DEFAULT '0' NOT NULL, block_original_id INT NOT NULL, sort INT NOT NULL, INDEX IDX_E508DD5498FB19AE (sequence_id), INDEX IDX_E508DD54E9ED820C (block_id), INDEX IDX_E508DD54D1F7CEE2 (next_block_id), INDEX IDX_E508DD544BA1090F (branch_reference_id), PRIMARY KEY(id)) DEFAULT CHARACTER SET utf8mb4 COLLATE `utf8mb4_unicode_ci` ENGINE = InnoDB;
CREATE TABLE `msb_block` (id INT AUTO_INCREMENT NOT NULL, container_id INT NOT NULL, block_name VARCHAR(255) NOT NULL, acronym VARCHAR(30) NOT NULL, residue VARCHAR(255) NOT NULL, block_mass DOUBLE PRECISION DEFAULT NULL, losses VARCHAR(255) DEFAULT NULL, block_smiles VARCHAR(255) DEFAULT NULL, usmiles VARCHAR(255) DEFAULT NULL, source SMALLINT DEFAULT NULL, identifier VARCHAR(255) DEFAULT NULL, is_polyketide TINYINT DEFAULT '0' NOT NULL, INDEX IDX_CD3263FFBC21F742 (container_id), UNIQUE INDEX UX_BLOCK_ACRONYM (acronym, container_id), PRIMARY KEY(id)) DEFAULT CHARACTER SET utf8mb4 COLLATE `utf8mb4_unicode_ci` ENGINE = InnoDB;
CREATE TABLE `msb_block_family` (id INT AUTO_INCREMENT NOT NULL, container_id INT NOT NULL, block_family_name VARCHAR(255) NOT NULL, INDEX IDX_1F452C21BC21F742 (container_id), UNIQUE INDEX UX_BLOCK_FAMILY_NAME (block_family_name, container_id), PRIMARY KEY(id)) DEFAULT CHARACTER SET utf8mb4 COLLATE `utf8mb4_unicode_ci` ENGINE = InnoDB;
CREATE TABLE `msb_condition` (id INT AUTO_INCREMENT NOT NULL, text TEXT NOT NULL, PRIMARY KEY(id)) DEFAULT CHARACTER SET utf8mb4 COLLATE `utf8mb4_unicode_ci` ENGINE = InnoDB;
CREATE TABLE `msb_modification` (id INT AUTO_INCREMENT NOT NULL, container_id INT NOT NULL, modification_name VARCHAR(255) NOT NULL, modification_formula VARCHAR(255) NOT NULL, modification_mass DOUBLE PRECISION DEFAULT NULL, n_terminal TINYINT DEFAULT '0' NOT NULL, c_terminal TINYINT DEFAULT '0' NOT NULL, INDEX IDX_1C697E23BC21F742 (container_id), UNIQUE INDEX UX_MODIFICATION_NAME (modification_name, container_id), PRIMARY KEY(id)) DEFAULT CHARACTER SET utf8mb4 COLLATE `utf8mb4_unicode_ci` ENGINE = InnoDB;
CREATE TABLE `msb_organism` (id INT AUTO_INCREMENT NOT NULL, container_id INT NOT NULL, organism VARCHAR(255) NOT NULL, INDEX IDX_BA6090D4BC21F742 (container_id), UNIQUE INDEX UX_ORGANISM_NAME (organism, container_id), PRIMARY KEY(id)) DEFAULT CHARACTER SET utf8mb4 COLLATE `utf8mb4_unicode_ci` ENGINE = InnoDB;
CREATE TABLE `msb_s2f` (id INT AUTO_INCREMENT NOT NULL, sequence_id INT NOT NULL, family_id INT NOT NULL, INDEX IDX_9531F0F898FB19AE (sequence_id), INDEX IDX_9531F0F8C35E566A (family_id), PRIMARY KEY(id)) DEFAULT CHARACTER SET utf8mb4 COLLATE `utf8mb4_unicode_ci` ENGINE = InnoDB;
CREATE TABLE `msb_s2o` (id INT AUTO_INCREMENT NOT NULL, organism_id INT NOT NULL, sequence_id INT NOT NULL, INDEX IDX_ECED485C64180A36 (organism_id), INDEX IDX_ECED485C98FB19AE (sequence_id), PRIMARY KEY(id)) DEFAULT CHARACTER SET utf8mb4 COLLATE `utf8mb4_unicode_ci` ENGINE = InnoDB;
CREATE TABLE `msb_sequence` (id INT AUTO_INCREMENT NOT NULL, n_modification_id INT DEFAULT NULL, c_modification_id INT DEFAULT NULL, b_modification_id INT DEFAULT NULL, container_id INT NOT NULL, sequence_type VARCHAR(255) DEFAULT 'other' NOT NULL, sequence_name VARCHAR(255) NOT NULL, sequence VARCHAR(500), sequence_original VARCHAR(500), sequence_formula VARCHAR(255) NOT NULL, sequence_mass DOUBLE PRECISION DEFAULT NULL, sequence_smiles VARCHAR(4000) DEFAULT NULL, usmiles VARCHAR(4000) DEFAULT NULL, source SMALLINT DEFAULT NULL, identifier VARCHAR(255) DEFAULT NULL, decays VARCHAR(255) DEFAULT NULL, unique_block_count INT NOT NULL DEFAULT 0, block_count INT NOT NULL DEFAULT 0, INDEX IDX_E5B5CDD3202EA3BB (n_modification_id), INDEX IDX_E5B5CDD3329000A9 (c_modification_id), INDEX IDX_E5B5CDD3B536CBEA (b_modification_id), INDEX IDX_E5B5CDD3BC21F742 (container_id), UNIQUE INDEX UX_SEQUENCE_NAME (sequence_name, container_id), PRIMARY KEY(id)) DEFAULT CHARACTER SET utf8mb4 COLLATE `utf8mb4_unicode_ci` ENGINE = InnoDB;
CREATE TABLE `msb_sequence_family` (id INT AUTO_INCREMENT NOT NULL, container_id INT NOT NULL, sequence_family_name VARCHAR(255) NOT NULL, INDEX IDX_520EE404BC21F742 (container_id), UNIQUE INDEX UX_SEQUENCE_FAMILY_NAME (sequence_family_name, container_id), PRIMARY KEY(id)) DEFAULT CHARACTER SET utf8mb4 COLLATE `utf8mb4_unicode_ci` ENGINE = InnoDB;
CREATE TABLE `msb_setup` (id INT AUTO_INCREMENT NOT NULL, similarity VARCHAR(10) DEFAULT 'name' NOT NULL, PRIMARY KEY(id)) DEFAULT CHARACTER SET utf8mb4 COLLATE `utf8mb4_unicode_ci` ENGINE = InnoDB;
CREATE TABLE `msb_u2c` (id INT AUTO_INCREMENT NOT NULL, user_id INT NOT NULL, container_id INT NOT NULL, mode VARCHAR(10) NOT NULL, INDEX IDX_E1D678C5A76ED395 (user_id), INDEX IDX_E1D678C5BC21F742 (container_id), PRIMARY KEY(id)) DEFAULT CHARACTER SET utf8mb4 COLLATE `utf8mb4_unicode_ci` ENGINE = InnoDB;
CREATE TABLE `msb_user` (id INT AUTO_INCREMENT NOT NULL, nick VARCHAR(180) NOT NULL, roles JSON NOT NULL, password VARCHAR(255) NOT NULL, mail VARCHAR(255) DEFAULT NULL, api_token VARCHAR(255) DEFAULT NULL, conditions TINYINT DEFAULT '0' NOT NULL, chem_spider_token VARCHAR(255) DEFAULT NULL, last_activity DATETIME DEFAULT NULL, UNIQUE INDEX UNIQ_A0E45FAB290B2F37 (nick), UNIQUE INDEX UNIQ_A0E45FAB7BA2F5EB (api_token), UNIQUE INDEX UNIQ_A0E45FAB5126AC48 (mail), PRIMARY KEY(id)) DEFAULT CHARACTER SET utf8mb4 COLLATE `utf8mb4_unicode_ci` ENGINE = InnoDB;
ALTER TABLE `msb_b2f` ADD CONSTRAINT FK_B2F_BLOCK_ID FOREIGN KEY (block_id) REFERENCES `msb_block` (id);
ALTER TABLE `msb_b2f` ADD CONSTRAINT FK_B2F_FAMILY_ID FOREIGN KEY (family_id) REFERENCES `msb_block_family` (id);
ALTER TABLE `msb_b2s` ADD CONSTRAINT FK_B2S_SEQUENCE_ID FOREIGN KEY (sequence_id) REFERENCES `msb_sequence` (id);
ALTER TABLE `msb_b2s` ADD CONSTRAINT FK_B2S_BLOCK_ID FOREIGN KEY (block_id) REFERENCES `msb_block` (id);
ALTER TABLE `msb_b2s` ADD CONSTRAINT FK_B2S_NEXT_BLOCK_ID FOREIGN KEY (next_block_id) REFERENCES `msb_block` (id);
ALTER TABLE `msb_b2s` ADD CONSTRAINT FK_B2S_BRANCH_REFERENCE_ID FOREIGN KEY (branch_reference_id) REFERENCES `msb_block` (id);
ALTER TABLE `msb_block` ADD CONSTRAINT FK_BLOCK_CONTAINER_ID FOREIGN KEY (container_id) REFERENCES `msb_container` (id);
ALTER TABLE `msb_block_family` ADD CONSTRAINT FK_BLOCK_FAMILY_CONTAINER_ID FOREIGN KEY (container_id) REFERENCES `msb_container` (id);
ALTER TABLE `msb_modification` ADD CONSTRAINT FK_MODIFICATION_CONTAINER_ID FOREIGN KEY (container_id) REFERENCES `msb_container` (id);
ALTER TABLE `msb_organism` ADD CONSTRAINT FK_ORGANISM_CONTAINER_ID FOREIGN KEY (container_id) REFERENCES `msb_container` (id);
ALTER TABLE `msb_s2f` ADD CONSTRAINT FK_S2F_SEQUENCE_ID FOREIGN KEY (sequence_id) REFERENCES `msb_sequence` (id);
ALTER TABLE `msb_s2f` ADD CONSTRAINT FK_S2F_FAMILY_ID FOREIGN KEY (family_id) REFERENCES `msb_sequence_family` (id);
ALTER TABLE `msb_s2o` ADD CONSTRAINT FK_S2O_ORGANISM_ID FOREIGN KEY (organism_id) REFERENCES `msb_organism` (id);
ALTER TABLE `msb_s2o` ADD CONSTRAINT FK_S2O_SEQUENCE_ID FOREIGN KEY (sequence_id) REFERENCES `msb_sequence` (id);
ALTER TABLE `msb_sequence` ADD CONSTRAINT FK_SEQUENCE_N_MODIFICATION_ID FOREIGN KEY (n_modification_id) REFERENCES `msb_modification` (id);
ALTER TABLE `msb_sequence` ADD CONSTRAINT FK_SEQUENCE_C_MODIFICATION_ID FOREIGN KEY (c_modification_id) REFERENCES `msb_modification` (id);
ALTER TABLE `msb_sequence` ADD CONSTRAINT FK_SEQUENCE_B_MODIFICATION_ID FOREIGN KEY (b_modification_id) REFERENCES `msb_modification` (id);
ALTER TABLE `msb_sequence` ADD CONSTRAINT FK_SEQUENCE_CONTAINER_ID FOREIGN KEY (container_id) REFERENCES `msb_container` (id);
ALTER TABLE `msb_sequence_family` ADD CONSTRAINT FK_SEQUENCE_FAMILY_CONTAINER_ID FOREIGN KEY (container_id) REFERENCES `msb_container` (id);
ALTER TABLE `msb_u2c` ADD CONSTRAINT FK_U2C_USER_ID FOREIGN KEY (user_id) REFERENCES `msb_user` (id);
ALTER TABLE `msb_u2c` ADD CONSTRAINT FK_U2C_CONTAINER_ID FOREIGN KEY (container_id) REFERENCES `msb_container` (id);

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/*!40000 ALTER TABLE `msb_b2s` ENABLE KEYS */;
UNLOCK TABLES;


--
-- Dumping data for table `msb_block`
--

LOCK TABLES `msb_block` WRITE;
/*!40000 ALTER TABLE `msb_block` DISABLE KEYS */;
INSERT INTO `msb_block` (`id`, `container_id`, `block_name`, `acronym`, `residue`, `block_mass`, `losses`, `block_smiles`, `usmiles`, `source`, `identifier`, `is_polyketide`) VALUES
(1, 1, 'Tryptophan', 'Trp', 'C11H10N2O', 186.079313, NULL, 'C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N', 'NC(CC1=CNC2=CC=CC=C12)C(O)=O', 0, '6305', 0),
(2, 1, 'Glycine', 'Gly', 'C2H3NO', 57.021464, NULL, 'C(C(=O)O)N', 'NCC(O)=O', 0, '750', 0),
(3, 1, 'Alanine', 'Ala', 'C3H5NO', 71.037114, NULL, 'CC(C(=O)O)N', 'CC(N)C(O)=O', 0, '5950', 0),
(4, 1, 'Serine', 'Ser', 'C3H5NO2', 87.032028, NULL, 'C(C(C(=O)O)N)O', 'NC(CO)C(O)=O', 0, '5951', 0),
(5, 1, 'Cysteine', 'Cys', 'C3H5NOS', 103.009184, NULL, 'C(C(C(=O)O)N)S', 'NC(CS)C(O)=O', 0, '5862', 0),
(6, 1, 'Aspartic acid', 'Asp', 'C4H5NO3', 115.026943, NULL, 'C(C(C(=O)O)N)C(=O)O', 'NC(CC(O)=O)C(O)=O', 0, '5960', 0),
(7, 1, 'Asparagine', 'Asn', 'C4H6N2O2', 114.042927, NULL, 'C(C(C(=O)O)N)C(=O)N', 'NC(CC(N)=O)C(O)=O', 0, '6267', 0),
(8, 1, 'Threonine', 'Thr', 'C4H7NO2', 101.047678, NULL, 'CC(C(C(=O)O)N)O', 'CC(O)C(N)C(O)=O', 0, '6288', 0),
(9, 1, 'Proline', 'Pro', 'C5H7NO', 97.052764, NULL, 'C1CC(NC1)C(=O)O', 'OC(=O)C1CCCN1', 0, '145742', 0),
(10, 1, 'Glutamic acid', 'Glu', 'C5H7NO3', 129.042593, NULL, 'C(CC(=O)O)C(C(=O)O)N', 'NC(CCC(O)=O)C(O)=O', 0, '33032', 0),
(11, 1, 'Glutamine', 'Gln', 'C5H8N2O2', 128.058578, NULL, 'C(CC(=O)N)C(C(=O)O)N', 'NC(CCC(N)=O)C(O)=O', 0, '5961', 0),
(12, 1, 'Valine', 'Val', 'C5H9NO', 99.068414, NULL, 'CC(C)C(C(=O)O)N', 'CC(C)C(N)C(O)=O', 0, '6287', 0),
(13, 1, 'Methionine', 'Met', 'C5H9NOS', 131.040485, NULL, 'CSCCC(C(=O)O)N', 'CSCCC(N)C(O)=O', 0, '6137', 0),
(14, 1, 'Leucine', 'Leu', 'C6H11NO', 113.084064, NULL, 'CC(C)CC(C(=O)O)N', 'CC(C)CC(N)C(O)=O', 0, '6106', 0),
(15, 1, 'Isoleucine', 'Ile', 'C6H11NO', 113.084064, NULL, 'CCC(C)C(C(=O)O)N', 'CCC(C)C(N)C(O)=O', 0, '6306', 0),
(16, 1, 'Lysine', 'Lys', 'C6H12N2O', 128.094963, NULL, 'C(CCN)CC(C(=O)O)N', 'NCCCCC(N)C(O)=O', 0, '5962', 0),
(17, 1, 'Arginine', 'Arg', 'C6H12N4O', 156.101111, NULL, 'C(CC(C(=O)O)N)CN=C(N)N', 'NC(CCCN=C(N)N)C(O)=O', 0, '6322', 0),
(18, 1, 'Histidine', 'His', 'C6H7N3O', 137.058912, NULL, 'C1=C(NC=N1)CC(C(=O)O)N', 'NC(CC1=CN=CN1)C(O)=O', 0, '6274', 0),
(19, 1, 'Phenylalanine', 'Phe', 'C9H9NO', 147.068414, NULL, 'C1=CC=C(C=C1)CC(C(=O)O)N', 'NC(CC1=CC=CC=C1)C(O)=O', 0, '6140', 0),
(20, 1, 'Tyrosine', 'Tyr', 'C9H9NO2', 163.063329, NULL, 'C1=CC(=CC=C1CC(C(=O)O)N)O', 'NC(CC1=CC=C(O)C=C1)C(O)=O', 0, '6057', 0),
(21, 1, '3-hydroxy-4-methyl-octanoic acid', 'C8:0-Me(4)-OH(3)', 'C9H16O2', 156.11503, '', 'CCCCC(C)C(O)CC(O)=O', 'CCCCC(C)C(O)CC(O)=O', 0, '16088926', 0),
(22, 1, 'N-methyl-butenyl-threonine', 'NMe-Bmt', 'C10H17NO2', 183.125929, '', 'CNC(C(O)C(C)CC=CC)C(O)=O', 'CNC(C(O)C(C)CC=CC)C(O)=O', 0, '11769539', 0),
(23, 1, '2-aminobutanoic acid', 'Abu', 'C4H7NO', 85.052764, '', 'CCC(N)C(O)=O', 'CCC(N)C(O)=O', 0, '6657', 0),
(24, 1, 'N-methyl-glycine', 'NMe-Gly', 'C3H5NO', 71.037114, '', 'CNCC(O)=O', 'CNCC(O)=O', 0, '1088', 0),
(25, 1, 'N-methyl-leucine', 'NMe-Leu', 'C7H13NO', 127.099714, '', 'CNC(CC(C)C)C(O)=O', 'CNC(CC(C)C)C(O)=O', 0, '567743', 0),
(26, 1, 'N-acetyl-isoleucine', 'NAc-Ile', 'C8H13NO2', 155.094629, '', 'CCC(C)C(NC(C)=O)C(O)=O', 'CCC(C)C(NC(C)=O)C(O)=O', 0, '306109', 0),
(27, 1, 'N-formyl-N-hydroxy-ornithine', 'Fo-OH-Orn', 'C6H10N2O3', 158.069142, '', 'NC(CCCN(O)C=O)C(O)=O', 'NC(CCCN(O)C=O)C(O)=O', 0, '45479225', 0),
(28, 1, 'Pyoverdin Pa A chromophore', 'ChrPaA', 'C13H11N3O3', 257.080041, '', 'NC1=CC2=C(C=C(O)C(=C2)O)N3CCC(N=C13)C(O)=O', 'NC1=CC2=C(C=C(O)C(=C2)O)N3CCC(N=C13)C(O)=O', 0, '', 0),
(30, 1, '3-methyl-proline', '3Me-Pro', 'C6H9NO', 111.068414, '', 'CC1CCNC1C(O)=O', 'CC1CCNC1C(O)=O', 0, '14185042', 0),
(31, 1, '2-hydroxy-4-methyl-pentanoic acid', 'C5:0-Me(4)-OH(2)', 'C6H10O2', 114.06808, '', 'CC(C)CC(O)C(O)=O', 'CC(C)CC(O)C(O)=O', 0, '92779', 0),
(32, 1, 'N-methyl-valine', 'NMe-Val', 'C6H11NO', 113.084064, '', 'CNC(C(C)C)C(O)=O', 'CNC(C(C)C)C(O)=O', 0, '4378', 0),
(33, 1, 'N-methyl-alanine', 'NMe-Ala', 'C4H7NO', 85.052764, '', 'CNC(C)C(O)=O', 'CNC(C)C(O)=O', 0, '5288725', 0),
(34, 1, 'beta-alanine', 'bAla', 'C3H5NO', 71.037114, '', 'NCCC(O)=O', 'NCCC(O)=O', 0, '239', 0),
(36, 1, '3-hydroxy-13-methyl-tetradecanoic acid', 'C14:0-Me(13)-OH(3)', 'C15H28O2', 240.20893, '', 'CC(C)CCCCCCCCCC(O)CC(O)=O', 'CC(C)CCCCCCCCCC(O)CC(O)=O', 0, '11043456', 0),
(37, 1, 'Lactic acid', 'Lac', 'C3H4O2', 72.021129, NULL, 'CC(C(=O)O)O', 'CC(O)C(O)=O', 0, '612', 0),
(38, 1, '2-hydroxy-isovaleric acid', 'Hiv', 'C5H8O2', 100.05243, '', 'CC(C)C(O)C(O)=O', 'CC(C)C(O)C(O)=O', 0, '99823', 0),
(39, 1, 'Ornithine', 'Orn', 'C5H10N2O', 114.079313, '', 'NCCCC(N)C(O)=O', 'NCCCC(N)C(O)=O', 0, '389', 0),
(40, 1, 'N-acetyl-N-methyl-isoleucine', 'NAc-NMe-Ile', 'C9H15N1O2', 169.110278, '', 'CCC(C)C(N(C)C(C)=O)C(O)=O', 'CCC(C)C(N(C)C(C)=O)C(O)=O', 0, '63703758', 0),
(41, 1, 'N-acetyl-valine', 'NAc-Val', 'C7H11N1O2', 141.078978, '', 'CC(C)C(NC(C)=O)C(O)=O', 'CC(C)C(NC(C)=O)C(O)=O', 0, '227752', 0),
(42, 1, 'Succinic acid', 'Succ', 'C4H4O3', 100.016044, '', 'OC(=O)CCC(O)=O', 'OC(=O)CCC(O)=O', 0, '1110', 0),
(43, 1, 'Norvaline', 'Nva', 'C5H9NO', 99.068414, '', 'CCCC(N)C(O)=O', 'CCCC(N)C(O)=O', 0, '824', 0),
(44, 1, '3-desoxy-methyl-4-butenyl-4-methyl-threonine', 'dNMe-Bmt', 'C10H17NO', 167.131014, '', 'CNC(CC(C)CC=CC)C(O)=O', 'CNC(CC(C)CC=CC)C(O)=O', 0, '76108366', 0),
(45, 1, '4-butenyl-4-methyl-threonine', 'Bmt', 'C9H15NO2', 169.110278, '', 'CC=CCC(C)C(O)C(N)C(O)=O', 'CC=CCC(C)C(O)C(N)C(O)=O', 0, '73746095', 0),
(46, 1, '3-hydroxy-4-methyl-decanoic acid', 'C10:0-Me(4)-OH(3)', 'C11H20O2', 184.14633, '', 'CCCCCCC(C)C(O)CC(O)=O', 'CCCCCCC(C)C(O)CC(O)=O', 0, '70679119', 0),
(47, 1, '3-hydroxy-nonanoic acid', 'C9:0-OH(3)', 'C9H16O2', 156.115029, '', 'CCCCCCC(O)CC(O)=O', 'CCCCCCC(O)CC(O)=O', 0, '36599', 0),
(49, 1, '(-2H) N-hydroxy-1,5-pentanediamine', 'Hpd', 'C5H12N2O', 116.094963, '', 'NCCCCCNO', 'NCCCCCNO', 0, '22119660', 1),
(50, 1, 'Succinic semialdehyde', 'Suc', 'C4H4O2', 84.0211293137, NULL, 'OC(=O)CCC=O', 'OC(=O)CCC=O', 0, '1112', 1),
(51, 1, '3-hydroxy-butanoic acid', 'C4:0-OH(3)', 'C4H6O2', 86.036779, '', 'CC(O)CC(O)=O', 'CC(O)CC(O)=O', 0, '441', 0),
(52, 1, 'N5-hydroxy-ornithine', 'OH-Orn', 'C5H10N2O2', 130.074227, '', 'NC(CCCNO)C(O)=O', 'NC(CCCNO)C(O)=O', 0, '22326348', 0),
(53, 1, 'hydroxy-aspartic acid', 'OH-Asp', 'C4H5NO4', 131.021857, '', 'NC(C(O)C(O)=O)C(O)=O', 'NC(C(O)C(O)=O)C(O)=O', 0, '5425', 0),
(54, 1, '(-2H) putrescine', 'Put', 'C4H10N2', 86.084398, '', 'NCCCCN', 'NCCCCN', 0, '1045', 1),
(55, 1, '3-hydroxy-hexanoic acid', 'C6:0-OH(3)', 'C6H10O2', 114.068079, '', 'CCCC(O)CC(O)=O', 'CCCC(O)CC(O)=O', 0, '151492', 0),
(56, 1, '3-hydroxy-octanoic acid', 'C8:0-OH(3)', 'C8H14O2', 142.099379, '', 'CCCCCC(O)CC(O)=O', 'CCCCCC(O)CC(O)=O', 0, '26613', 0),
(57, 1, '5-hydroxy-3-methyl-2-pentenoic acid', 'OH-MP', 'C6H8O2', 112.052429, '', 'CC(CCO)=CC(O)=O', 'CC(CCO)=CC(O)=O', 0, '54261127', 0),
(58, 1, 'N2-acetyl-N5-hydroxy-ornithine', 'N2Ac-OH-Orn', 'C7H12N2O3', 172.084792, '', 'CC(=O)NC(CCCNO)C(O)=O', 'CC(=O)NC(CCCNO)C(O)=O', 0, '', 0),
(59, 1, 'Succinamic acid', 'Suca', 'C4H5NO2', 99.032028, NULL, 'NC(=O)CCC(O)=O', 'NC(=O)CCC(O)=O', 0, '12522', 0),
(60, 1, 'N-acetyl-hydroxy-ornithine', 'Ac-OH-Orn', 'C7H12N2O3', 172.084792, '', 'CC(=O)N(O)CCCC(N)C(O)=O', 'CC(=O)N(O)CCCC(N)C(O)=O', 1, '3670289', 0),
(61, 1, '3-methyl-glutaconic acid', 'Mga', 'C6H6O3', 126.031694, '', 'CC(CC(O)=O)=CC(O)=O', 'CC(CC(O)=O)=CC(O)=O', 1, '1267861', 0),
(64, 1, '2,3-dihydroxy-benzoic acid', 'OH-Ben', 'C7H4O3', 136.016044, '', 'OC(=O)C1=C(O)C(=CC=C1)O', 'OC(=O)C1=C(O)C(=CC=C1)O', 0, '19', 0),
(71, 1, '2-hydroxypent-4-enoic acid', 'OH-Eno', 'C5H6O2', 98.036779, NULL, 'OC(CC=C)C(O)=O', 'OC(CC=C)C(O)=O', 0, '172026', 0),
(72, 2, 'Tryptophan', 'Trp', 'C11H10N2O', 186.079313, '', 'NC(CC1=CNC2=CC=CC=C12)C(O)=O', 'NC(CC1=CNC2=CC=CC=C12)C(O)=O', 0, '6305', 0),
(73, 2, 'Glycine', 'Gly', 'C2H3NO', 57.021464, '', 'NCC(O)=O', 'NCC(O)=O', 0, '750', 0),
(74, 2, 'Alanine', 'Ala', 'C3H5NO', 71.037114, '', 'CC(N)C(O)=O', 'CC(N)C(O)=O', 0, '5950', 0),
(75, 2, 'Serine', 'Ser', 'C3H5NO2', 87.032028, '', 'NC(CO)C(O)=O', 'NC(CO)C(O)=O', 0, '5951', 0),
(76, 2, 'Cysteine', 'Cys', 'C3H5NOS', 103.009184, '', 'NC(CS)C(O)=O', 'NC(CS)C(O)=O', 0, '5862', 0),
(77, 2, 'Aspartic acid', 'Asp', 'C4H5NO3', 115.026943, '', 'NC(CC(O)=O)C(O)=O', 'NC(CC(O)=O)C(O)=O', 0, '5960', 0),
(78, 2, 'Asparagine', 'Asn', 'C4H6N2O2', 114.042927, '', 'NC(CC(N)=O)C(O)=O', 'NC(CC(N)=O)C(O)=O', 0, '6267', 0),
(79, 2, 'Threonine', 'Thr', 'C4H7NO2', 101.047678, '', 'CC(O)C(N)C(O)=O', 'CC(O)C(N)C(O)=O', 0, '6288', 0),
(80, 2, 'Proline', 'Pro', 'C5H7NO', 97.052764, '', 'OC(=O)C1CCCN1', 'OC(=O)C1CCCN1', 0, '145742', 0),
(81, 2, 'Glutamic acid', 'Glu', 'C5H7NO3', 129.042593, '', 'NC(CCC(O)=O)C(O)=O', 'NC(CCC(O)=O)C(O)=O', 0, '33032', 0),
(82, 2, 'Glutamine', 'Gln', 'C5H8N2O2', 128.058578, '', 'NC(CCC(N)=O)C(O)=O', 'NC(CCC(N)=O)C(O)=O', 0, '5961', 0),
(83, 2, 'Valine', 'Val', 'C5H9NO', 99.068414, '', 'CC(C)C(N)C(O)=O', 'CC(C)C(N)C(O)=O', 0, '6287', 0),
(84, 2, 'Methionine', 'Met', 'C5H9NOS', 131.040485, '', 'CSCCC(N)C(O)=O', 'CSCCC(N)C(O)=O', 0, '6137', 0),
(85, 2, 'Leucine', 'Leu', 'C6H11NO', 113.084064, '', 'CC(C)CC(N)C(O)=O', 'CC(C)CC(N)C(O)=O', 0, '6106', 0),
(86, 2, 'Isoleucine', 'Ile', 'C6H11NO', 113.084064, '', 'CCC(C)C(N)C(O)=O', 'CCC(C)C(N)C(O)=O', 0, '6306', 0),
(87, 2, 'Lysine', 'Lys', 'C6H12N2O', 128.094963, '', 'NCCCCC(N)C(O)=O', 'NCCCCC(N)C(O)=O', 0, '5962', 0),
(88, 2, 'Arginine', 'Arg', 'C6H12N4O', 156.101111, '', 'NC(CCCN=C(N)N)C(O)=O', 'NC(CCCN=C(N)N)C(O)=O', 0, '6322', 0),
(89, 2, 'Histidine', 'His', 'C6H7N3O', 137.058912, '', 'NC(CC1=CN=CN1)C(O)=O', 'NC(CC1=CN=CN1)C(O)=O', 0, '6274', 0),
(90, 2, 'Phenylalanine', 'Phe', 'C9H9NO', 147.068414, '', 'NC(CC1=CC=CC=C1)C(O)=O', 'NC(CC1=CC=CC=C1)C(O)=O', 0, '6140', 0),
(91, 2, 'Tyrosine', 'Tyr', 'C9H9NO2', 163.063329, '', 'NC(CC1=CC=C(O)C=C1)C(O)=O', 'NC(CC1=CC=C(O)C=C1)C(O)=O', 0, '6057', 0),
(92, 1, '3-hydroxyundecanoic acid', 'C11:0-OH(3)', 'C11H20O2', 184.14633, '', 'CCCCCCCCC(O)CC(O)=O', 'CCCCCCCCC(O)CC(O)=O', 0, '3083221', 0),
(93, 1, 'allo-Isoleucine', 'aIle', 'C6H11NO', 113.084064, '', 'CCC(C)C(N)C(O)=O', 'CCC(C)C(N)C(O)=O', 0, '94206', 0),
(94, 1, 'Leucine (variant)', 'Lxx', 'C6H11NO', 113.084064, '', 'CC(C)CC(N)C(O)=O', 'CC(C)CC(N)C(O)=O', 0, '6106', 0),
(96, 1, '2-oxoglutaric acid', 'Oga', 'C5H4O4', 128.010958, '', 'OC(=O)CCC(=O)C(O)=O', 'OC(=O)CCC(=O)C(O)=O', 0, '51', 0),
(97, 1, '3-hydroxyhexadec-9-enoic acid', 'C16:1(9)-OH(3)', 'C16H28O2', 252.20893, '', 'CCCCCCC=CCCCCCC(O)CC(O)=O', 'CCCCCCC=CCCCCCC(O)CC(O)=O', 0, '140706132', 0),
(98, 1, '3-hydroxytetradecanoic acid', 'C14:0-OH(3)', 'C14H26O2', 226.19328, '', 'CCCCCCCCCCCC(O)CC(O)=O', 'CCCCCCCCCCCC(O)CC(O)=O', 0, '16064', 0),
(99, 1, 'dodecanoic acid', 'C12:0', 'C12H22O', 182.167065, '', 'CCCCCCCCCCCC(O)=O', 'CCCCCCCCCCCC(O)=O', 0, '3893', 0),
(100, 1, '7-tetradecenoic acid', 'C14:1(7)', 'C14H24O', 208.182715, '', 'CCCCCCC=CCCCCCC(O)=O', 'CCCCCCC=CCCCCCC(O)=O', 0, '543360', 0),
(101, 1, 'tetradecanoic acid', 'C14:0', 'C14H26O', 210.198365, '', 'CCCCCCCCCCCCCC(O)=O', 'CCCCCCCCCCCCCC(O)=O', 0, '11005', 0),
(102, 1, '9-hexadecenoic acid', 'C16:1(9)', 'C16H28O', 236.214015, '', 'CCCCCCC=CCCCCCCCC(O)=O', 'CCCCCCC=CCCCCCCCC(O)=O', 0, '4668', 0),
(103, 1, '3-hydroxyhexadecanoic acid', 'C16:0-OH(3)', 'C16H30O2', 254.22458, '', 'CCCCCCCCCCCCCC(O)CC(O)=O', 'CCCCCCCCCCCCCC(O)CC(O)=O', 0, '301590', 0),
(104, 1, 'palmitic acid', 'C16:0', 'C16H30O', 238.229665, '', 'CCCCCCCCCCCCCCCC(O)=O', 'CCCCCCCCCCCCCCCC(O)=O', 0, '985', 0),
(106, 1, '3-hydroxyoctadec-9-enoic acid', 'C18:1(9)-OH(3)', 'C18H32O2', 280.24023, '', 'CCCCCCCCC=CCCCCCC(O)CC(O)=O', 'CCCCCCCCC=CCCCCCC(O)CC(O)=O', 0, '54069008', 0),
(107, 1, 'octadec-9-enoic acid', 'C18:1(9)', 'C18H32O', 264.245315, '', 'CCCCCCCCC=CCCCCCCCC(O)=O', 'CCCCCCCCC=CCCCCCCCC(O)=O', 0, '965', 0),
(108, 1, '5-dodecenoic acid', 'C12:1(5)', 'C12H20O', 180.151415, '', 'CCCCCCC=CCCCC(O)=O', 'CCCCCCC=CCCCC(O)=O', 0, '151007', 0),
(109, 1, '3-hydroxydodecanoic acid', 'C12:0-OH(3)', 'C12H22O2', 198.16198, '', 'CCCCCCCCCC(O)CC(O)=O', 'CCCCCCCCCC(O)CC(O)=O', 0, '94216', 0),
(110, 1, 'decanoic acid', 'C10:0', 'C10H18O', 154.135765, '', 'CCCCCCCCCC(O)=O', 'CCCCCCCCCC(O)=O', 0, '2969', 0),
(111, 1, '(-2H) N-hydroxy-1,6-hexanediamine', 'Hhd', 'C6H14N2O', 130.110613, '', 'NCCCCCCNO', 'NCCCCCCNO', 0, '10034671', 1),
(112, 1, '(-2H) N-hydroxy-1,4-butanediamine', 'Hbd', 'C4H10N2O', 102.079313, '', 'NCCCCNO', 'NCCCCNO', 0, '24883439', 1),
(113, 1, '(-2H) N-hydroxy-1,3-propanediamine', 'Hpa', 'C3H8N2O', 88.063663, '', 'NCCCNO', 'NCCCNO', 0, '5311095', 1),
(114, 1, '(-2H) 1,3-propanediamine', 'Pda', 'C3H8N2', 72.068748, '', 'NCCCN', 'NCCCN', 0, '428', 1),
(115, 1, 'N-methyl-leucine (variant)', 'NMe-Lxx', 'C7H13NO', 127.099714, '', 'CNC(CC(C)C)C(O)=O', 'CNC(CC(C)C)C(O)=O', 0, '567743', 0),
(116, 1, '2,5-dihydroxy-4-methylpentanoic acid', 'C5:0-Me(4)-OH(2.5)', 'C6H10O3', 130.062994, '', 'CC(CO)CC(O)C(O)=O', 'CC(CO)CC(O)C(O)=O', 0, '153966883', 0),
(117, 1, '2-(methylamino)octanoic acid', 'MeAoc', 'C9H17NO', 155.131014, NULL, 'CCCCCCC(NC)C(O)=O', 'CCCCCCC(NC)C(O)=O', 0, '12571758', 0),
(118, 1, 'N-methyl-isoleucine', 'NMe-Ile', 'C7H13NO', 127.099714, NULL, 'CCC(C)C(NC)C(O)=O', 'CCC(C)C(NC)C(O)=O', 0, '560437', 0);
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(6, 1, 'chromophores'),
(4, 1, 'fatty acyls'),
(5, 1, 'ornithines'),
(2, 1, 'other'),
(7, 1, 'polyketide blocks'),
(1, 1, 'proteinogenic amino acids'),
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(1, '1) Usage of the app\r\nUsing of MassSpecBlocks is free. Source codes are licensed under MIT license. When you used third-party databases, it\'s on the user to check licenses of these databases, how their data can be used. In no event shall the authors be liable for any claim, damages, or other liability, whether in an action of contract, tort, or otherwise, arising from, out of, or the use or other dealings.\r\n\r\n2) Usage of registration data\r\nThe name doesn\'t have to be your real name. An e-mail is not required and is used for password recovery only. Your password is stored in the database in a hashed form for authentification purposes only. The password must have at least eight characters.\r\n\r\n3) Cookies\r\nIf you use MassSpecBlocks, you agree with cookies. The site uses cookies for its basic functionality (running your session, etc.). We do not use third-party and advertisement cookies. \r\n\r\n4) Usage technologies\r\nMassSpecBlocks uses: (1) modified smilesDrawer [https://github.com/privrja/smilesDrawer] originally developed by Jean-Louis Reymond Research Group at the University of Bern, main author Daniel Probst;  (2) JSME editor originally developed by B. Bienfait and P. Ertl. JSME Molecule Editor [https://jsme-editor.github.io/]; (3) React for frontend (MIT License); (4) Symfony for backend (MIT License); and (5) MySQL database (free version). MassSpecBlocks is based on Building Blocks Database Generator of Natural Compounds (BBDGNC) [https://github.com/privrja/bbdgnc].\r\n\r\n5) Chemical databases\r\nWe are using public chemical databases for custom searches. They include PubChem [https://pubchem.ncbi.nlm.nih.gov], ChemSpider [http://www.chemspider.com], ChEBI [https://www.ebi.ac.uk/chebi], Norine [https://bioinfo.lifl.fr/norine], PDB [https://www.rcsb.org], COCONUT [https://coconut.naturalproducts.net] and NP Atlas [https://www.npatlas.org]. If you would like to use ChemSpider, you need a user account and an API key, free of charge up to 1000 API calls per month. The key must be stored in your settings dialog, and then you can search on ChemSpider from MassSpecBlocks. The key is stored in the database and is used only for your searches on ChemSpider, nothing more.\r\n');
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(1, 'Nonribosomal Peptides and Siderophores', 'PUBLIC'),
(2, 'Proteinogenic Amino Acids', 'PUBLIC'),
(3, 'Siderophores and Secondary Metabolites (MS)', 'PUBLIC');
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(1, 1, 'Acetyl', 'H2C2O', 42.010565, 1, 0),
(2, 1, 'Amidated', 'HNO-1', -0.9840155848, 0, 1),
(3, 1, 'Ethanolamine', 'H5C2N', 43.0421991657, 0, 1),
(4, 1, 'Formyl', 'CO', 27.9949146221, 1, 0),
(5, 2, 'Acetyl', 'H2C2O', 42.010565, 1, 0),
(6, 2, 'Amidated', 'HNO-1', -0.9840155848, 0, 1),
(7, 2, 'Ethanolamine', 'H5C2N', 43.0421991657, 0, 1),
(8, 2, 'Formyl', 'CO', 27.9949146221, 1, 0);
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(37, 1, 'Actinosynnema mirum'),
(34, 1, 'Alteromonas haloplanktis'),
(23, 1, 'Apergillus ochraceous'),
(24, 1, 'Aspergillus flavus'),
(7, 1, 'Aspergillus fumigatus'),
(8, 1, 'Aspergillus nidulans'),
(27, 1, 'Aspergillus niger'),
(25, 1, 'Aspergillus terreus'),
(9, 1, 'Aureobasidium pullulans'),
(39, 1, 'Beauveria bassiana'),
(43, 1, 'Beauveria brongniartii'),
(42, 1, 'Beauveria sp.'),
(40, 1, 'Beauveria tenella'),
(45, 1, 'Brevibacillus brevis'),
(47, 1, 'Burkholderia cepacia'),
(14, 1, 'Cenococcum geophilum'),
(26, 1, 'Cunninghamella blakesleeana'),
(3, 1, 'Erwinia amylovora'),
(10, 1, 'Fusarium cubense'),
(53, 1, 'Halomonas aquamarina'),
(36, 1, 'Halomonas meridiana'),
(15, 1, 'Magnaporthe grisea'),
(56, 1, 'Metarhizium anisopliae'),
(16, 1, 'Neurospora crassa'),
(41, 1, 'Paecilomyces fumosoroseus'),
(11, 1, 'Penicillium chrysogenum'),
(51, 1, 'Pseudallescheria boydii'),
(48, 1, 'Pseudomonas aeruginosa'),
(4, 1, 'Pseudomonas stutzeri'),
(31, 1, 'Rhizobium leguminosarum'),
(32, 1, 'Serratia sp. V4'),
(33, 1, 'Shewanella putrefaciens'),
(1, 1, 'Streptomyces coelicolor'),
(44, 1, 'Streptomyces fulvissimus'),
(5, 1, 'Streptomyces olivaceus'),
(2, 1, 'Streptomyces pilosus'),
(12, 1, 'Suillus granulatus'),
(13, 1, 'Suillus luteus'),
(54, 1, 'Tolypocladium inflatum'),
(17, 1, 'Trichoderma hamatum'),
(18, 1, 'Trichoderma harzianum'),
(19, 1, 'Trichoderma koningii'),
(20, 1, 'Trichoderma longibrachiatum'),
(21, 1, 'Trichoderma pseudokoningii'),
(22, 1, 'Trichoderma viride'),
(55, 1, 'Trichothecium roseum'),
(28, 1, 'Ustilago maydis'),
(29, 1, 'Ustilago sphaerogena'),
(35, 1, 'Vibrio salmonicida'),
(38, 1, 'Vibrio sp. DS40M4'),
(52, 1, 'Vibrio sp. R10'),
(6, 1, 'Vibrio strain BLI-41'),
(30, 1, 'Vibrio vulnificus');
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(465, 54, 857),
(468, 54, 858),
(471, 54, 859),
(474, 54, 860),
(477, 54, 861),
(480, 54, 862),
(483, 54, 863),
(487, 54, 864),
(490, 54, 865);
/*!40000 ALTER TABLE `msb_s2o` ENABLE KEYS */;
UNLOCK TABLES;

--
-- Dumping data for table `msb_sequence`
--

LOCK TABLES `msb_sequence` WRITE;
/*!40000 ALTER TABLE `msb_sequence` DISABLE KEYS */;
INSERT INTO `msb_sequence` (`id`, `n_modification_id`, `c_modification_id`, `b_modification_id`, `container_id`, `sequence_type`, `sequence_name`, `sequence`, `sequence_original`, `sequence_formula`, `sequence_mass`, `sequence_smiles`, `usmiles`, `source`, `identifier`, `decays`, `unique_block_count`, `block_count`) VALUES
(1, NULL, NULL, NULL, 1, 'cyclic', 'beauverolide I (roman numeral)', '[C8:0-Me(4)-OH(3)]-[Phe]-[Ala]-[Leu]', '[0]-[1]-[2]-[3]', 'C27H41N3O5', 487.304621, 'CCCCC(C)C1CC(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)O1', 'CCCCC(C)C1CC(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)O1', 0, '9805481', '[9,20,25,33]', 4, 4),
(2, NULL, NULL, NULL, 1, 'cyclic', 'cyclosporin A', '[Ala]-[NMe-Leu]-[NMe-Leu]-[NMe-Val]-[NMe-Bmt]-[Abu]-[NMe-Gly]-[NMe-Leu]-[Val]-[NMe-Leu]-[Ala]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]', 'C62H111N11O12', 1201.841368, 'CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C', 'CCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C', 0, '5284373', '[4,8,12,16,20,24,28,32,36,40,44]', 7, 11),
(3, 4, 3, NULL, 1, 'linear', 'gramicidin C (Val)', '[Val]-[Gly]-[Ala]-[Leu]-[Ala]-[Val]-[Val]-[Val]-[Trp]-[Leu]-[Tyr]-[Leu]-[Trp]-[Leu]-[Trp]', '[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]-[11]-[12]-[13]-[14]-[15]', 'C97H139N19O18', 1858.054549, '[H]C(NC(=O)C(NC=O)C(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC(C)C)C(=O)NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC(C)C)C(=O)NC(CC1=CNC2=C1C=CC=C2)C(=O)NCCO', '[H]C(NC(=O)C(NC=O)C(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(CC(C)C)C(=O)NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC(C)C)C(=O)NC(CC1=CNC2=C1C=CC=C2)C(=O)NCCO', 0, '16170154', '[2,13,18,26,31,38,45,52,66,74,86,94,108,116,130]', 6, 15),
(4, NULL, NULL, NULL, 1, 'branched', 'pseudacyclin A (linearized)', '[NAc-Ile]\\([Orn]-[Ile]-[Ile]-[Pro]\\)[Phe]', '[0]\\([1]-[2]-[3]-[4]\\)[5]', 'C39H63N7O8', 757.4738120355, 'CCC(C)C(C(=O)NC(CCCNC(=O)C(C(C)CC)NC(=O)C(C(C)CC)NC(=O)C1CCCN1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C', 'CCC(C)C(NC(=O)C(NC(=O)C1CCCN1)C(C)CC)C(=O)NCCCC(NC(=O)C(NC(C)=O)C(C)CC)C(=O)NC(CC2=CC=CC=C2)C(O)=O', 0, '133052596', '[6,12,20,28,37]', 5, 6),
(5, NULL, NULL, NULL, 1, 'branch-cyclic', 'pseudacyclin A', '[Ile]-[Ile]\\([Orn]-[NAc-Ile]\\)[Phe]-[Pro]', '[0]-[1]\\([2]-[3]\\)[4]-[5]', 'C39H61N7O7', 739.463247, 'CCC(C)C1C(=O)NC(C(=O)NCCCC(C(=O)NC(C(=O)N2CCCC2C(=O)N1)CC3=CC=CC=C3)NC(=O)C(C(C)CC)NC(=O)C)C(C)CC', 'CCC(C)C1NC(=O)C(NC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=O)C(CCCNC1=O)NC(=O)C(NC(C)=O)C(C)CC)C(C)CC', 0, '46848855', '[6,10,17,21,28,37]', 5, 6),
(7, NULL, NULL, NULL, 1, 'cyclic', 'surfactin C', '[C14:0-Me(13)-OH(3)]-[Glu]-[Leu]-[Leu]-[Val]-[Asp]-[Leu]-[Leu]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]', 'C53H93N7O13', 1035.683136109, 'CC(C)CCCCCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O', 'CC(C)CCCCCCCCCC1CC(=O)NC(CCC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O1', 0, '443592', '[15,19,23,27,31,35,39,43]', 5, 8),
(8, NULL, NULL, NULL, 1, 'cyclic', 'valinomycin', '[Lac]-[Val]-[Hiv]-[Val]-[Lac]-[Val]-[Hiv]-[Val]-[Lac]-[Val]-[Hiv]-[Val]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]-[11]', 'C54H90N6O18', 1110.63116, 'CC1C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)O1)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C', 'CC(C)C1NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C', 0, '3000706', '[3,7,11,15,19,23,27,31,35,39,43,47]', 3, 12),
(9, NULL, NULL, NULL, 1, 'branch-cyclic', 'pyoverdin D', '[Thr]-[Thr]\\([Lys]-[Fo-OH-Orn]-[Ser]-[Arg]-[Ser]-[ChrPaA]-[Succ]\\)[Fo-OH-Orn]', '[0]-[1]\\([2]-[3]-[4]-[5]-[6]-[7]-[8]\\)[9]', 'C55H83N17O22', 1333.589857, 'CC(O)C1NC(=O)C(NC(=O)C(CCCN(O)C=O)NC(=O)C(CCCCNC1=O)NC(=O)C(CCCN(O)C=O)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C(CO)NC(=O)C2CCN=C3N2C4=C(C=C(O)C(=C4)O)C=C3NC(=O)CCC(O)=O)C(C)O', 'CC(O)C1NC(=O)C(NC(=O)C(CCCN(O)C=O)NC(=O)C(CCCCNC1=O)NC(=O)C(CCCN(O)C=O)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C(CO)NC(=O)C2CCN=C3N2C4=C(C=C(O)C(=C4)O)C=C3NC(=O)CCC(O)=O)C(C)O', 6, '10.1002/jlac.198919890164', '[4,8,16,20,29,40,46,57,63,82]', 7, 10),
(11, NULL, NULL, NULL, 1, 'cyclic', 'cyclosporin B', '[Ala]-[NMe-Leu]-[NMe-Leu]-[NMe-Val]-[NMe-Bmt]-[Ala]-[NMe-Gly]-[NMe-Leu]-[Val]-[NMe-Leu]-[Ala]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]', 'C61H109N11O12', 1188.5847, 'CC=CCC(C)C(O)C1C(=O)NC(C)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1(C)', 'CC=CCC(C)C(O)C1N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C(=O)C(C)NC1=O)C(C)C', 0, '53398691', '[10,15,20,29,36,45,50,55,64,73,81]', 6, 11),
(12, NULL, NULL, NULL, 1, 'cyclic', 'cyclosporin C', '[Ala]-[NMe-Leu]-[NMe-Leu]-[NMe-Val]-[NMe-Bmt]-[Thr]-[NMe-Gly]-[NMe-Leu]-[Val]-[NMe-Leu]-[Ala]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]', 'C62H111N11O13', 1218.6106, 'CC=CCC(C)C(O)C1C(=O)NC(C(C)O)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1(C)', 'CC=CCC(C)C(O)C1N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C(=O)C(NC1=O)C(C)O)C(C)C', 0, '53395167', '[10,17,22,31,38,47,52,57,66,75,83]', 7, 11),
(13, NULL, NULL, NULL, 1, 'cyclic', 'cyclosporin D', '[Ala]-[NMe-Leu]-[NMe-Leu]-[NMe-Val]-[NMe-Bmt]-[Val]-[NMe-Gly]-[NMe-Leu]-[Val]-[NMe-Leu]-[Ala]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]', 'C63H113N11O12', 1216.6378, 'CC=CCC(C)C(O)C1C(=O)NC(C(C)C)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1(C)', 'CC=CCC(C)C(O)C1N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C(=O)C(NC1=O)C(C)C)C(C)C', 0, '53395177', '[10,17,22,31,38,47,52,57,66,75,83]', 6, 11),
(14, NULL, NULL, NULL, 1, 'cyclic', 'cyclosporin E', '[Ala]-[NMe-Leu]-[NMe-Leu]-[Val]-[NMe-Bmt]-[Abu]-[NMe-Gly]-[NMe-Leu]-[Val]-[NMe-Leu]-[Ala]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]', 'C61H109N11O12', 1187.825718, 'CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N1(C)', 'CCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C)C(C)C', 0, '75015855', '[10,16,21,30,37,46,51,56,65,74,81]', 6, 11),
(15, NULL, NULL, NULL, 1, 'cyclic', 'cyclosporin F', '[Ala]-[NMe-Leu]-[NMe-Leu]-[NMe-Val]-[dNMe-Bmt]-[Abu]-[NMe-Gly]-[NMe-Leu]-[Val]-[NMe-Leu]-[Ala]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]', 'C62H111N11O11', 1185.8464534634, 'CCC1NC(=O)C(CC(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C', 'CCC1NC(=O)C(CC(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C', 1, '4953086', '[3,15,23,32,41,46,51,60,64,73,78]', 7, 11),
(16, NULL, NULL, NULL, 1, 'cyclic', 'cyclosporin G', '[Ala]-[NMe-Leu]-[NMe-Leu]-[NMe-Val]-[NMe-Bmt]-[Nva]-[NMe-Gly]-[NMe-Leu]-[Val]-[NMe-Leu]-[Ala]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]', 'C63H113N11O12', 1216.6378, 'CC=CCC(C)C(O)C1C(=O)NC(CCC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1(C)', 'CCCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C', 0, '68924', '[10,17,22,31,38,47,52,57,66,75,83]', 7, 11),
(17, NULL, NULL, NULL, 1, 'cyclic', 'cyclosporin H', '[Ala]-[NMe-Leu]-[NMe-Leu]-[NMe-Val]-[NMe-Bmt]-[Abu]-[NMe-Gly]-[NMe-Leu]-[Val]-[NMe-Leu]-[Ala]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]', 'C62H111N11O12', 1202.6112, 'CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1(C)', 'CCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C', 1, '4978035', '[10,16,21,30,37,46,51,56,65,74,82]', 7, 11),
(18, NULL, NULL, NULL, 1, 'cyclic', 'cyclosporin I', '[Ala]-[NMe-Leu]-[Leu]-[NMe-Val]-[NMe-Bmt]-[Val]-[NMe-Gly]-[NMe-Leu]-[Val]-[NMe-Leu]-[Ala]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]', 'C62H111N11O12', 1201.841368, 'CC=CCC(C)C(O)C1N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C(=O)C(NC1=O)C(C)C)C(C)C', 'CC=CCC(C)C(O)C1N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C(=O)C(NC1=O)C(C)C)C(C)C', 1, '30809566', '[10,18,26,35,40,45,54,58,67,72,76]', 7, 11),
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(46, NULL, NULL, NULL, 1, 'branch-cyclic', 'pyoverdin E', '[Thr]-[Thr]\\([Lys]-[Fo-OH-Orn]-[Ser]-[Arg]-[Ser]-[ChrPaA]-[Suca]\\)[Fo-OH-Orn]', '[0]-[1]\\([2]-[3]-[4]-[5]-[6]-[7]-[8]\\)[9]', 'C55H84N18O21', 1332.605842, 'CC(O)C1NC(=O)C(NC(=O)C(CCCN(O)C=O)NC(=O)C(CCCCNC1=O)NC(=O)C(CCCN(O)C=O)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C(CO)NC(=O)C2CCN=C3N2C4=C(C=C(O)C(=C4)O)C=C3NC(=O)CCC(N)=O)C(C)O', 'CC(O)C1NC(=O)C(NC(=O)C(CCCN(O)C=O)NC(=O)C(CCCCNC1=O)NC(=O)C(CCCN(O)C=O)NC(=O)C(CO)NC(=O)C(CCCNC(N)=N)NC(=O)C(CO)NC(=O)C2CCN=C3N2C4=C(C=C(O)C(=C4)O)C=C3NC(=O)CCC(N)=O)C(C)O', 6, '10.1002/jlac.198919890164', '[4,8,16,20,29,40,46,57,63,82]', 7, 10),
(47, NULL, NULL, NULL, 1, 'cyclic', 'ferricrocin', '[Ac-OH-Orn]-[Ac-OH-Orn]-[Ac-OH-Orn]-[Gly]-[Ser]-[Gly]', '[0]-[1]-[2]-[3]-[4]-[5]', 'C28H47N9O13', 717.329333, 'CC(=O)N(CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)N1)CO)CCCN(C(=O)C)O)CCCN(C(=O)C)O)O', 'CC(=O)N(O)CCCC1NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CCCN(O)C(C)=O)NC(=O)C(CCCN(O)C(C)=O)NC1=O', 0, '193746', '[9,13,17,21,25,29]', 3, 6),
(48, NULL, NULL, NULL, 1, 'cyclic', 'ferrichrysin', '[Ac-OH-Orn]-[Ac-OH-Orn]-[Ac-OH-Orn]-[Ser]-[Ser]-[Gly]', '[0]-[1]-[2]-[3]-[4]-[5]', 'C29H49N9O14', 747.339897, 'CC(=O)N(CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CO)CO)CCCN(C(=O)C)O)CCCN(C(=O)C)O)O', 'CC(=O)N(O)CCCC1NC(=O)CNC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCCN(O)C(C)=O)NC(=O)C(CCCN(O)C(C)=O)NC1=O', 0, '24954019', '[9,13,17,21,25,29]', 3, 6),
(49, NULL, NULL, NULL, 1, 'cyclic', 'ferrichrome', '[Ac-OH-Orn]-[Ac-OH-Orn]-[Ac-OH-Orn]-[Gly]-[Gly]-[Gly]', '[0]-[1]-[2]-[3]-[4]-[5]', 'C27H45N9O12', 687.318768, 'CC(=O)N(CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NCC(=O)N1)CCCN(C(=O)C)O)CCCN(C(=O)C)O)O', 'CC(=O)N(O)CCCC1NC(=O)CNC(=O)CNC(=O)CNC(=O)C(CCCN(O)C(C)=O)NC(=O)C(CCCN(O)C(C)=O)NC1=O', 0, '169636', '[9,13,17,21,25,29]', 2, 6),
(51, NULL, NULL, NULL, 1, 'cyclic', 'vicibactin', '[C4:0-OH(3)]-[N2Ac-OH-Orn]-[C4:0-OH(3)]-[N2Ac-OH-Orn]-[C4:0-OH(3)]-[N2Ac-OH-Orn]', '[0]-[1]-[2]-[3]-[4]-[5]', 'C33H54N6O15', 774.364715, 'CC1CC(=O)N(CCCC(C(=O)OC(CC(=O)N(CCCC(C(=O)OC(CC(=O)N(CCCC(C(=O)O1)NC(=O)C)O)C)NC(=O)C)O)C)NC(=O)C)O', 'CC1CC(=O)N(O)CCCC(NC(C)=O)C(=O)OC(C)CC(=O)N(O)CCCC(NC(C)=O)C(=O)OC(C)CC(=O)N(O)CCCC(NC(C)=O)C(=O)O1', 0, '101941096', '[4,11,16,23,28,35]', 2, 6),
(52, NULL, NULL, NULL, 1, 'linear-polyketide', 'serratiochelin B', '[OH-Ben]-[Pda]-[Thr]-[OH-Ben]', '[0]-[1]-[2]-[3]', 'C21H25N3O8', 447.164165, 'CC(C(C(=O)NCCCNC(=O)C1=C(C(=CC=C1)O)O)NC(=O)C2=C(C(=CC=C2)O)O)O', 'CC(O)C(NC(=O)C1=C(O)C(=CC=C1)O)C(=O)NCCCNC(=O)C2=C(O)C(=CC=C2)O', 0, '139587640', '[4,9,20]', 3, 4),
(53, NULL, NULL, NULL, 1, 'linear-polyketide', 'serratiochelin C', '[OH-Ben]-[Pda]-[Thr]-[OH-Ben]', '[0]-[1]-[2]-[3]', 'C21H25N3O8', 447.164165, 'CC(C(C(=O)NCCCNC(=O)C1=C(C(=CC=C1)O)O)N)OC(=O)C2=C(C(=CC=C2)O)O', 'CC(OC(=O)C1=C(O)C(=CC=C1)O)C(N)C(=O)NCCCNC(=O)C2=C(O)C(=CC=C2)O', 0, '102290841', '[4,9,21]', 3, 4),
(54, NULL, NULL, NULL, 1, 'cyclic-polyketide', 'putrebactin', '[Hbd]-[Suc]-[Hbd]-[Suc]', '[0]-[1]-[2]-[3]', 'C16H28N4O6', 372.200885, 'C1CCN(C(=O)CCC(=O)NCCCCN(C(=O)CCC(=O)NC1)O)O', 'ON1CCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC1=O', 0, '16654915', '[3,9,15,21]', 2, 4),
(56, NULL, NULL, NULL, 1, 'linear', 'exochelin MS', '[Fo-OH-Orn]-[bAla]-[OH-Orn]-[Thr]-[OH-Orn]', '[0]-[1]-[2]-[3]-[4]', 'C23H44N8O11', 608.3129542971, 'CC(C(C(=O)N(CCCC(C(=O)O)N)O)NC(=O)C(CCCN(C(=O)CCNC(=O)C(CCCN(C=O)O)N)O)N)O', 'CC(O)C(NC(=O)C(N)CCCN(O)C(=O)CCNC(=O)C(N)CCCN(O)C=O)C(=O)N(O)CCCC(N)C(O)=O', 0, '139583168', '[4,15,22,27]', 4, 5),
(57, NULL, NULL, NULL, 1, 'cyclic-polyketide', 'bisucaberin', '[Hpd]-[Suc]-[Hpd]-[Suc]', '[0]-[1]-[2]-[3]', 'C18H32N4O6', 400.232185, 'C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CC1)O)O', 'ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O', 0, '133971', '[3,9,16,22]', 2, 4),
(58, NULL, NULL, NULL, 1, 'linear', 'aquachelin A', '[C12:1(5)]-[OH-Asp]-[Ser]-[Ser]-[Gln]-[Ac-OH-Orn]-[Ser]-[Ac-OH-Orn]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]', 'C44H74N10O20', 1062.508085, 'CCCCCCC=CCCCC(=O)NC(C(C(=O)O)O)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN(C(=O)C)O)C(=O)NC(CO)C(=O)NC(CCCN(C(=O)C)O)C(=O)O', 'CCCCCCC=CCCCC(=O)NC(C(O)C(O)=O)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(CCCN(O)C(C)=O)C(=O)NC(CO)C(=O)NC(CCCN(O)C(C)=O)C(O)=O', 0, '139588297', '[12,21,27,33,42,54,60]', 5, 8),
(59, NULL, NULL, NULL, 1, 'linear', 'amphibactin B', '[C14:0-OH(3)]-[Ac-OH-Orn]-[Ac-OH-Orn]-[Ser]-[Ac-OH-Orn]', '[0]-[1]-[2]-[3]-[4]', 'C38H69N7O14', 847.49025, 'CCCCCCCCCCCC(O)CC(=O)NC(CCCN(O)C(C)=O)C(=O)NC(CCCN(O)C(C)=O)C(=O)NC(CO)C(=O)NC(CCCN(O)C(C)=O)C(O)=O', 'CCCCCCCCCCCC(O)CC(=O)NC(CCCN(O)C(C)=O)C(=O)NC(CCCN(O)C(C)=O)C(=O)NC(CO)C(=O)NC(CCCN(O)C(C)=O)C(O)=O', 6, '10.1073/pnas.0637444100', '[15,27,39,45]', 3, 5),
(60, NULL, NULL, NULL, 1, 'linear-polyketide', 'mirubactin', '[OH-Ben]-[Arg]-[Fo-OH-Orn]-[OH-Ben]', '[0]-[1]-[2]-[3]', 'C26H32N6O11', 604.212906, 'C1=CC(=C(C(=C1)O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN(C=O)OC(=O)C2=C(C(=CC=C2)O)O)C(=O)O', 'NC(N)=NCCCC(NC(=O)C1=C(O)C(=CC=C1)O)C(=O)NC(CCCN(OC(=O)C2=C(O)C(=CC=C2)O)C=O)C(O)=O', 0, '59051490', '[9,20,29]', 3, 4),
(61, NULL, NULL, NULL, 1, 'linear-polyketide', 'divanchrobactin', '[OH-Ben]-[Arg]-[Ser]-[Ser]-[Arg]-[OH-Ben]', '[0]-[1]-[2]-[3]-[4]-[5]', 'C32H44N10O13', 776.3089315517, 'C1=CC(=C(C(=C1)O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)OCC(C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C2=C(C(=CC=C2)O)O', 'NC(N)=NCCCC(NC(=O)C1=C(O)C(=CC=C1)O)C(=O)NC(CO)C(=O)OCC(NC(=O)C(CCCN=C(N)N)NC(=O)C2=C(O)C(=CC=C2)O)C(O)=O', 0, '46849169', '[9,20,26,33,44]', 3, 6),
(62, NULL, NULL, NULL, 1, 'cyclic', 'roseotoxin A', '[Ile]-[NMe-Val]-[NMe-Ala]-[bAla]-[C5:0-Me(4)-OH(2)]-[3Me-Pro]', '[0]-[1]-[2]-[3]-[4]-[5]', 'C31H53N5O7', 607.394499, 'CCC(C)C1NC(=O)C2C(C)CCN2(C(=O)C(CC(C)C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1(=O))', 'CCC(C)C1NC(=O)C2C(C)CCN2C(=O)C(CC(C)C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O', 0, '51340752', '[5,13,21,26,32,40]', 6, 6),
(63, NULL, NULL, NULL, 1, 'cyclic', 'roseotoxin S', '[Ile]-[Hiv]-[Thr]-[Ala]-[Hiv]', '[0]-[1]-[2]-[3]-[4]', 'C23H39N3O8', 485.27372, 'CCC(C)C1NC(=O)C(OC(=O)C(C)NC(=O)C(NC(=O)C(OC1=O)C(C)C)C(C)O)C(C)C', 'CCC(C)C1NC(=O)C(OC(=O)C(C)NC(=O)C(NC(=O)C(OC1=O)C(C)C)C(C)O)C(C)C', 0, '70698083', '[5,9,14,18,22]', 4, 5),
(64, NULL, NULL, NULL, 1, 'cyclic', 'roseotoxin B', '[Ile]-[NMe-Val]-[NMe-Ala]-[bAla]-[OH-Eno]-[3Me-Pro]', '[0]-[1]-[2]-[3]-[4]-[5]', 'C30H49N5O7', 591.363199, 'CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCC(C2C(=O)N1)C)CC=C)C)C)C(C)C)C', 'CCC(C)C1NC(=O)C2C(C)CCN2C(=O)C(CC=C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O', 0, '24039283', '[6,10,14,19,23,30]', 6, 6),
(65, NULL, NULL, NULL, 3, 'other', 'm-cresol', '', NULL, 'C7H8O', 108.0575148789, NULL, NULL, NULL, NULL, NULL, 0, 0),
(66, NULL, NULL, NULL, 3, 'other', 'uracil', '', NULL, 'C4H4N2O2', 112.027277383, NULL, NULL, NULL, NULL, NULL, 0, 0),
(67, NULL, NULL, NULL, 3, 'other', 'Diketopiperazine', '', NULL, 'C4H6N2O2', 114.0429274472, NULL, NULL, NULL, NULL, NULL, 0, 0),
(68, NULL, NULL, NULL, 3, 'other', 'Nicotinic acid', '', NULL, 'C6H5NO2', 123.0320284099, NULL, NULL, NULL, NULL, NULL, 0, 0),
(69, NULL, NULL, NULL, 3, 'other', 'Hydroxyquinone', '', NULL, 'C6H4O3', 124.0160439947, NULL, NULL, NULL, NULL, NULL, 0, 0),
(70, NULL, NULL, NULL, 3, 'other', 'Orcinol', '', NULL, 'C7H8O2', 124.052429501, NULL, NULL, NULL, NULL, NULL, 0, 0),
(71, NULL, NULL, NULL, 3, 'other', 'Epoxysuccinic acid', '', NULL, 'C4H4O5', 132.0058732389, NULL, NULL, NULL, NULL, NULL, 0, 0),
(72, NULL, NULL, NULL, 3, 'other', 'salicylic acid', '', NULL, 'C7H6O3', 138.0316940589, NULL, NULL, 7, '73', NULL, 0, 0),
(73, NULL, NULL, NULL, 3, 'other', 'Quinone', '', NULL, 'C6H4O4', 140.0109586168, NULL, NULL, NULL, NULL, NULL, 0, 0),
(74, NULL, NULL, NULL, 3, 'other', '2,3-dihydroxybenzoic acid', '', NULL, 'C7H6O4', 154.026608681, NULL, NULL, 7, '54', NULL, 0, 0),
(75, NULL, NULL, NULL, 3, 'other', '3,4-dihydroxybenzoic acid (Protocatechuic acid)', '', NULL, 'C7H6O4', 154.026608681, NULL, NULL, 7, '57', NULL, 0, 0),
(76, NULL, NULL, NULL, 3, 'other', '3,5-dihydroxybenzoic acid', '', NULL, 'C7H6O4', 154.026608681, NULL, NULL, 7, '202', NULL, 0, 0),
(77, NULL, NULL, NULL, 3, 'other', '3,4-dihydroxytoluquinone', '', NULL, 'C7H6O4', 154.026608681, NULL, NULL, NULL, NULL, NULL, 0, 0),
(78, NULL, NULL, NULL, 3, 'other', 'Phyllostin', '', NULL, 'C7H6O4', 154.026608681, NULL, NULL, NULL, NULL, NULL, 0, 0),
(79, NULL, NULL, NULL, 3, 'other', 'cyclo-(Pro-Gly)', '', NULL, 'C7H10N2O2', 154.0742275756, NULL, NULL, NULL, NULL, NULL, 0, 0),
(80, NULL, NULL, NULL, 3, 'other', 'Cepabactin', '', NULL, 'C7H9N1O3', 155.0582431604, NULL, NULL, 7, '72', NULL, 0, 0),
(81, NULL, NULL, NULL, 3, 'other', '1,8-dihydroxynaphthalene', '', NULL, 'C10H8O2', 160.052429501, NULL, NULL, NULL, NULL, NULL, 0, 0),
(82, NULL, NULL, NULL, 3, 'other', 'Formamide, N-[2-(4-hydroxyphenyl)ethenyl]-', '', NULL, 'C9H9NO2', 163.0633285383, NULL, NULL, NULL, NULL, NULL, 0, 0),
(83, NULL, NULL, NULL, 3, 'other', 'Phthalic acid', '', NULL, 'C8H6O4', 166.026608681, NULL, NULL, NULL, NULL, NULL, 0, 0),
(84, NULL, NULL, NULL, 3, 'other', 'o-Orsellinic acid', '', NULL, 'C8H8O4', 168.0422587452, NULL, NULL, NULL, NULL, NULL, 0, 0),
(85, NULL, NULL, NULL, 3, 'other', 'Fumigatin', '', NULL, 'C8H8O4', 168.0422587452, NULL, NULL, NULL, NULL, NULL, 0, 0),
(86, NULL, NULL, NULL, 3, 'other', 'cyclo-(D-Pro-L-Ala)', '', NULL, 'C8H12N2O2', 168.0898776398, NULL, NULL, NULL, NULL, NULL, 0, 0),
(87, NULL, NULL, NULL, 3, 'other', 'Fumigatol', '', NULL, 'C8H10O4', 170.0579088094, NULL, NULL, NULL, NULL, NULL, 0, 0),
(88, NULL, NULL, NULL, 3, 'other', '1,3,8-Trihydroxynaphthalene', '', NULL, 'C10H8O3', 176.0473441231, NULL, NULL, NULL, NULL, NULL, 0, 0),
(89, NULL, NULL, NULL, 3, 'other', '4,8-dihydroxy-1-tetralone', '', NULL, 'C10H10O3', 178.0629941873, NULL, NULL, NULL, NULL, NULL, 0, 0),
(90, NULL, NULL, NULL, 3, 'other', 'Vermelone', '', NULL, 'C10H10O3', 178.0629941873, NULL, NULL, NULL, NULL, NULL, 0, 0),
(91, NULL, NULL, NULL, 3, 'other', 'Spinulosin', '', NULL, 'C8H8O5', 184.0371733673, NULL, NULL, NULL, NULL, NULL, 0, 0),
(92, NULL, NULL, NULL, 3, 'other', 'Fumigatin oxide', '', NULL, 'C8H8O5', 184.0371733673, NULL, NULL, NULL, NULL, NULL, 0, 0),
(93, NULL, NULL, NULL, 3, 'other', 'Fumiquinone B', '', NULL, 'C8H8O5', 184.0371733673, NULL, NULL, NULL, NULL, NULL, 0, 0),
(94, NULL, NULL, NULL, 3, 'other', 'cyclo-(Pro-Ser)', '', NULL, 'C8H12N2O3', 184.0847922619, NULL, NULL, NULL, NULL, NULL, 0, 0),
(95, NULL, NULL, NULL, 3, 'other', 'cyclo-(Ala-trans-4-OH-Pro)', '', NULL, 'C8H12N2O3', 184.0847922619, NULL, NULL, NULL, NULL, NULL, 0, 0),
(96, NULL, NULL, NULL, 3, 'other', 'Dihydrospinulosin quinol', '', NULL, 'C8H12O5', 188.0684734957, NULL, NULL, NULL, NULL, NULL, 0, 0),
(97, NULL, NULL, NULL, 3, 'other', '2-Hydroxyjuglone', '', NULL, 'C10H6O4', 190.026608681, NULL, NULL, NULL, NULL, NULL, 0, 0),
(98, NULL, NULL, NULL, 3, 'other', 'Citrate', '', NULL, 'C6H8O7', 192.0270026115, NULL, NULL, 7, '282', NULL, 0, 0),
(99, NULL, NULL, NULL, 3, 'other', '1,3,6,8-Naphthalenetetrol', '', NULL, 'C10H8O4', 192.0422587452, NULL, NULL, NULL, NULL, NULL, 0, 0),
(100, NULL, NULL, NULL, 3, 'other', 'trans-3,4-dihydro-3,4,8-trihydroxynaphthalen-1(2H)-one', '', NULL, 'C10H10O4', 194.0579088094, NULL, NULL, NULL, NULL, NULL, 0, 0),
(101, NULL, NULL, NULL, 3, 'other', 'cis-3,4-dihydro-3,4,8-trihydroxynaphthalen-1(2H)-one', '', NULL, 'C10H10O4', 194.0579088094, NULL, NULL, NULL, NULL, NULL, 0, 0),
(102, NULL, NULL, NULL, 3, 'other', 'Scytalone', '', NULL, 'C10H10O4', 194.0579088094, NULL, NULL, NULL, NULL, NULL, 0, 0),
(103, NULL, NULL, NULL, 3, 'other', 'Anthrone', '', NULL, 'C14H10O', 194.0731649431, NULL, NULL, NULL, NULL, NULL, 0, 0),
(104, NULL, NULL, NULL, 3, 'other', 'Cyclo(L-Pro-L-Pro)', '', NULL, 'C10H14N2O2', 194.105527704, NULL, NULL, NULL, NULL, NULL, 0, 0),
(105, NULL, NULL, NULL, 3, 'other', '1H-Naphtho[2,1-b]pyran-1-one', '', NULL, 'C13H8O2', 196.052429501, NULL, NULL, NULL, NULL, NULL, 0, 0),
(106, NULL, NULL, NULL, 3, 'other', 'Pyrrolo[1,2-a]pyrazine-1,4-dione', '', NULL, 'C10H16N2O2', 196.1211777682, NULL, NULL, NULL, NULL, NULL, 0, 0),
(107, NULL, NULL, NULL, 3, 'other', 'Pyridine-2,6-bis(thiocarboxylic acid)', '', NULL, 'C7H5N1O2S2', 198.9761697899, NULL, NULL, 7, '93', NULL, 0, 0),
(108, NULL, NULL, NULL, 3, 'other', 'cyclo-(Ser-trans-4-OH-Pro)', '', NULL, 'C8H12N2O4', 200.079706884, NULL, NULL, NULL, NULL, NULL, 0, 0),
(109, NULL, NULL, NULL, 3, 'other', 'Spinulosin hydrate', '', NULL, 'C8H10O6', 202.0477380536, NULL, NULL, NULL, NULL, NULL, 0, 0),
(110, NULL, NULL, NULL, 3, 'other', 'Spinulosin quinol hydrate', '', NULL, 'C8H12O6', 204.0633881178, NULL, NULL, NULL, NULL, NULL, 0, 0),
(111, NULL, NULL, NULL, 3, 'other', 'cyclo-(Gly-Phe)', '', NULL, 'C11H12N2O2', 204.0898776398, NULL, NULL, NULL, NULL, NULL, 0, 0),
(112, NULL, NULL, NULL, 3, 'other', 'Bicyclo[3,1,1]heptane', '', NULL, 'C15H24', 204.1878007704, NULL, NULL, NULL, NULL, NULL, 0, 0),
(113, NULL, NULL, NULL, 3, 'other', 'Flaviolin', '', NULL, 'C10H6O5', 206.0215233031, NULL, NULL, NULL, NULL, NULL, 0, 0),
(114, NULL, NULL, NULL, 3, 'other', 'Anthraquinone', '', NULL, 'C14H8O2', 208.052429501, NULL, NULL, NULL, NULL, NULL, 0, 0),
(115, NULL, NULL, NULL, 3, 'other', 'cyclo-(Gly-Ala)', '', NULL, 'C10H14N2O3', 210.1004423261, NULL, NULL, NULL, NULL, NULL, 0, 0),
(116, NULL, NULL, NULL, 3, 'other', 'L-prolylhydroxy-L-prolinediketopiperazine', '', NULL, 'C10H14N2O3', 210.1004423261, NULL, NULL, NULL, NULL, NULL, 0, 0),
(117, NULL, NULL, NULL, 3, 'other', 'itoic acid', '', NULL, 'C9H9N1O5', 211.0480724046, NULL, NULL, 7, '113', NULL, 0, 0),
(118, NULL, NULL, NULL, 3, 'other', '2,3-dihydroxybenzoylglycine', '', NULL, 'C9H9N1O5', 211.0480724046, NULL, NULL, 7, '81', NULL, 0, 0),
(119, NULL, NULL, NULL, 3, 'other', 'Quinolobactin', '', NULL, 'C11H9N1O4', 219.0531577825, NULL, NULL, 7, '278', NULL, 0, 0),
(120, NULL, NULL, NULL, 3, 'other', 'Fumigatin chlorohydrin', '', NULL, 'C8H9ClO5', 220.0138513994, NULL, NULL, NULL, NULL, NULL, 0, 0),
(121, NULL, NULL, NULL, 3, 'other', 'Aeruginic acid', '', NULL, 'C10H7N1O3S1', 221.0146637862, NULL, NULL, 7, '285', NULL, 0, 0),
(122, NULL, NULL, NULL, 3, 'other', 'Parvulenone', '', NULL, 'C12H14O4', 222.0892089378, NULL, NULL, NULL, NULL, NULL, 0, 0),
(123, NULL, NULL, NULL, 3, 'other', 'Aminochelin', '', NULL, 'C11H16N2O3', 224.1160923903, NULL, NULL, 7, '88', NULL, 0, 0),
(124, NULL, NULL, NULL, 3, 'other', 'Aspergilic acid', '', NULL, 'C12H20N2O2', 224.1524778966, NULL, NULL, 7, '232', NULL, 0, 0),
(125, NULL, NULL, NULL, 3, 'other', 'Neoaspergillic acid', '', NULL, 'C12H20N2O2', 224.1524778966, NULL, NULL, 7, '233', NULL, 0, 0),
(126, NULL, NULL, NULL, 3, 'other', 'Csypyrone B1', '', NULL, 'C10H10O6', 226.0477380536, NULL, NULL, NULL, NULL, NULL, 0, 0),
(127, NULL, NULL, NULL, 3, 'other', 'Cyclo(L-leucyl-trans-4-hydroxy-L-proline)', '', NULL, 'C11H18N2O3', 226.1317424545, NULL, NULL, NULL, NULL, NULL, 0, 0),
(128, NULL, NULL, NULL, 3, 'other', 'Carbonarone A', '', NULL, 'C13H11NO3', 229.0738932246, NULL, NULL, NULL, NULL, NULL, 0, 0),
(129, NULL, NULL, NULL, 3, 'other', 'Tensidol A', '', NULL, 'C13H11NO3', 229.0738932246, NULL, NULL, NULL, NULL, NULL, 0, 0),
(130, NULL, NULL, NULL, 3, 'other', 'Siderochelin A', '', NULL, 'C12H14N2O3', 234.1004423261, NULL, NULL, 7, '281', NULL, 0, 0),
(131, NULL, NULL, NULL, 3, 'other', 'Thio-quinolobactin', '', NULL, 'C11H9N1O3S1', 235.0303138504, NULL, NULL, 7, '94', NULL, 0, 0),
(132, NULL, NULL, NULL, 3, 'other', 'Siderochelin B', '', NULL, 'C11H13N3O3', 235.0956912992, NULL, NULL, NULL, NULL, NULL, 0, 0),
(133, NULL, NULL, NULL, 3, 'other', 'Desferrithiocin', '', NULL, 'C10H10N2O3S1', 238.0412128877, NULL, NULL, 7, '51', NULL, 0, 0),
(134, NULL, NULL, NULL, 3, 'other', 'Agroclavin', '', NULL, 'C16H18N2', 238.1469985882, NULL, NULL, NULL, NULL, NULL, 0, 0),
(135, NULL, NULL, NULL, 3, 'other', 'Csypyrone B2', '', NULL, 'C11H12O6', 240.0633881178, NULL, NULL, NULL, NULL, NULL, 0, 0),
(136, NULL, NULL, NULL, 3, 'other', 'Festuclavin', '', NULL, 'C16H20N2', 240.1626486524, NULL, NULL, NULL, NULL, NULL, 0, 0),
(137, NULL, NULL, NULL, 3, 'other', '2,3-dihydroxybenzoylserine', '', NULL, 'C10H11N1O6', 241.0586370909, NULL, NULL, 7, '79', NULL, 0, 0),
(138, NULL, NULL, NULL, 3, 'other', 'cyclo-(R-Pro-R-Phe)', '', NULL, 'C14H16N2O2', 244.1211777682, NULL, NULL, NULL, NULL, NULL, 0, 0),
(139, NULL, NULL, NULL, 3, 'other', '5-demethoxyfumagillol', '', NULL, 'C15H24O3', 252.1725446367, NULL, NULL, NULL, NULL, NULL, 0, 0),
(140, NULL, NULL, NULL, 3, 'other', 'Csypyrone B3', '', NULL, 'C12H14O6', 254.079038182, NULL, NULL, NULL, NULL, NULL, 0, 0),
(141, NULL, NULL, NULL, 3, 'other', 'Fumiquinone A', '', NULL, 'C12H14O6', 254.079038182, NULL, NULL, NULL, NULL, NULL, 0, 0),
(142, NULL, NULL, NULL, 3, 'other', 'Elymoclavin', '', NULL, 'C16H18N2O', 254.1419132103, NULL, NULL, NULL, NULL, NULL, 0, 0),
(143, NULL, NULL, NULL, 3, 'other', '2,3-dihydroxybenzoylthreonine', '', NULL, 'C11H13N1O6', 255.0742871551, NULL, NULL, 7, '80', NULL, 0, 0),
(144, NULL, NULL, NULL, 3, 'other', 'Chanoclavine I', '', NULL, 'C16H20N2O', 256.1575632745, NULL, NULL, NULL, NULL, NULL, 0, 0),
(145, NULL, NULL, NULL, 3, 'other', 'Fumigaclavine B', '', NULL, 'C16H20N2O', 256.1575632745, NULL, NULL, NULL, NULL, NULL, 0, 0),
(146, NULL, NULL, NULL, 3, 'other', '[1,1\'-Biphenyl]-4-carboxylic acid, 3,3\'-dihydroxy-5,5\'-dimethyl', '', NULL, 'C15H14O4', 258.0892089378, NULL, NULL, NULL, NULL, NULL, 0, 0),
(147, NULL, NULL, NULL, 3, 'other', 'cyclo-(cisOH-D-Pro-L-Phe)', '', NULL, 'C14H16N2O3', 260.1160923903, NULL, NULL, NULL, NULL, NULL, 0, 0),
(148, NULL, NULL, NULL, 3, 'other', 'Cyclo(L-trans-(4-hydroxyprolinyl)-L-phenylalanine)', '', NULL, 'C14H16N2O3', 260.1160923903, NULL, NULL, NULL, NULL, NULL, 0, 0),
(149, NULL, NULL, NULL, 3, 'other', 'Cis-fusarinine', '', NULL, 'C11H20N2O5', 260.1372217629, NULL, NULL, 7, '6', NULL, 0, 0),
(150, NULL, NULL, NULL, 3, 'other', 'Trans-fusarinine', '', NULL, 'C11H20N2O5', 260.1372217629, NULL, NULL, 7, '5', NULL, 0, 0),
(151, NULL, NULL, NULL, 3, 'other', 'cyclo-(R-Phe-S-Ile)', '', NULL, 'C15H20N2O2', 260.1524778966, NULL, NULL, NULL, NULL, NULL, 0, 0),
(152, NULL, NULL, NULL, 3, 'other', 'Violacerol I', '', NULL, 'C14H14O5', 262.0841235599, NULL, NULL, NULL, NULL, NULL, 0, 0),
(153, NULL, NULL, NULL, 3, 'other', 'Violacerol II', '', NULL, 'C14H14O5', 262.0841235599, NULL, NULL, NULL, NULL, NULL, 0, 0),
(154, NULL, NULL, NULL, 3, 'other', 'cyclo-(R-Valr-S-Tyr)', '', NULL, 'C14H18N2O3', 262.1317424545, NULL, NULL, NULL, NULL, NULL, 0, 0),
(155, NULL, NULL, NULL, 3, 'other', 'pyridoxatin', '', NULL, 'C15H21N1O3', 263.1521435456, NULL, NULL, 7, '279', NULL, 0, 0),
(156, NULL, NULL, NULL, 3, 'other', 'Fumigatin bromohydrin', '', NULL, 'C8H9BrO5', 263.9633253994, NULL, NULL, NULL, NULL, NULL, 0, 0),
(157, NULL, NULL, NULL, 3, 'other', 'Microperfuranone', '', NULL, 'C17H14O3', 266.0942943157, NULL, NULL, NULL, NULL, NULL, 0, 0),
(158, NULL, NULL, NULL, 3, 'other', 'emodin', '', NULL, 'C15H10O5', 270.0528234315, NULL, NULL, NULL, NULL, NULL, 0, 0),
(159, NULL, NULL, NULL, 3, 'other', 'cyclo-(R-Tyr-S-Ile)', '', NULL, 'C15H20N2O3', 276.1473925187, NULL, NULL, NULL, NULL, NULL, 0, 0),
(160, NULL, NULL, NULL, 3, 'other', 'Deoxydistichonic acid', '', NULL, 'C10H18N2O7', 278.1114009429, NULL, NULL, NULL, NULL, NULL, 0, 0),
(161, NULL, NULL, NULL, 3, 'other', 'Fumagillol', '', NULL, 'C16H26O4', 282.183109323, NULL, NULL, NULL, NULL, NULL, 0, 0),
(162, NULL, NULL, NULL, 3, 'other', 'Brevianamide F', '', NULL, 'C16H17N3O2', 283.1320768055, NULL, NULL, NULL, NULL, NULL, 0, 0),
(163, NULL, NULL, NULL, 3, 'other', 'Physcion', '', NULL, 'C16H12O5', 284.0684734957, NULL, NULL, NULL, NULL, NULL, 0, 0),
(164, NULL, NULL, NULL, 3, 'other', 'Monodictyphenone', '', NULL, 'C15H12O6', 288.0633881178, NULL, NULL, NULL, NULL, NULL, 0, 0),
(165, NULL, NULL, NULL, 3, 'other', '2-chloro-1,3,8-trihydroxy-6-methyl- (8CI); 2-Chloro-1,3,8-trihydroxy-6-methylanthrone', '', NULL, 'C15H11ClO4', 290.0345868415, NULL, NULL, NULL, NULL, NULL, 0, 0),
(166, NULL, NULL, NULL, 3, 'other', 'Distichonic acid', '', NULL, 'C10H18N2O8', 294.106315565, NULL, NULL, NULL, NULL, NULL, 0, 0),
(167, NULL, NULL, NULL, 3, 'other', 'Ovalicin', '', NULL, 'C16H24O5', 296.1623738809, NULL, NULL, NULL, NULL, NULL, 0, 0),
(168, NULL, NULL, NULL, 3, 'other', 'Fumigaclavine A', '', NULL, 'C18H22N2O2', 298.1681279608, NULL, NULL, NULL, NULL, NULL, 0, 0),
(169, NULL, NULL, NULL, 3, 'other', '2-Chloroemodin', '', NULL, 'C15H9ClO5', 304.0138513994, NULL, NULL, NULL, NULL, NULL, 0, 0),
(170, NULL, NULL, NULL, 3, 'other', '2-Deoxymugeneic acid', '', NULL, 'C12H20N2O7', 304.1270510071, NULL, NULL, NULL, NULL, NULL, 0, 0),
(171, NULL, NULL, NULL, 3, 'other', '9(10H)-Anthracenone, 2-chloro-1,3,8-trihydroxy-6-(hydroxymethyl)-', '', NULL, 'C15H11ClO5', 306.0295014636, NULL, NULL, NULL, NULL, NULL, 0, 0),
(172, NULL, NULL, NULL, 3, 'other', 'Endocrocin', '', NULL, 'C16H10O7', 314.0426526757, NULL, NULL, NULL, NULL, NULL, 0, 0),
(173, NULL, NULL, NULL, 3, 'other', 'Asperthecin', '', NULL, 'C15H10O8', 318.0375672978, NULL, NULL, NULL, NULL, NULL, 0, 0),
(174, NULL, NULL, NULL, 3, 'other', 'Mugeneic acid', '', NULL, 'C12H20N2O8', 320.1219656292, NULL, NULL, 7, '268', NULL, 0, 0),
(175, NULL, NULL, NULL, 3, 'other', 'Avenic acid', '', NULL, 'C12H22N2O8', 322.1376156934, NULL, NULL, 7, '82', NULL, 0, 0),
(176, NULL, NULL, NULL, 3, 'other', 'Enantio-pyochelin', '', NULL, 'C14H16N2O3S2', 324.0602337703, NULL, NULL, 7, '230', NULL, 0, 0),
(177, NULL, NULL, NULL, 3, 'other', 'Pyochelin', '', NULL, 'C14H16N2O3S2', 324.0602337703, NULL, NULL, 7, '38', NULL, 0, 0),
(178, NULL, NULL, NULL, 3, 'other', 'Sterigmatocystine', '', NULL, 'C18H12O6', 324.0633881178, NULL, NULL, NULL, NULL, NULL, 0, 0),
(179, NULL, NULL, NULL, 3, 'other', 'terezine D', '', NULL, 'C19H23N3O2', 325.1790269981, NULL, NULL, NULL, NULL, NULL, 0, 0),
(180, NULL, NULL, NULL, 3, 'other', 'gliotoxin', '', NULL, 'C13H14N2O4S2', 326.0394983282, NULL, NULL, NULL, NULL, NULL, 0, 0),
(181, NULL, NULL, NULL, 3, 'other', 'Bis-N-norgliovictin', '', NULL, 'C14H18N2O3S2', 326.0758838345, NULL, NULL, NULL, NULL, NULL, 0, 0),
(182, NULL, NULL, NULL, 3, 'other', 'Bisdechlorogeodin', '', NULL, 'C17H14O7', 330.0739528041, NULL, NULL, NULL, NULL, NULL, 0, 0),
(183, NULL, NULL, NULL, 3, 'other', 'Pseudomonine', '', NULL, 'C16H18N4O4', 330.132805087, NULL, NULL, 7, '92', NULL, 0, 0),
(184, NULL, NULL, NULL, 3, 'other', 'Asperfuranone', '', NULL, 'C19H24O5', 332.1623738809, NULL, NULL, NULL, NULL, NULL, 0, 0),
(185, NULL, NULL, NULL, 3, 'other', '3-hydroxymugeneic acid', '', NULL, 'C12H20N2O9', 336.1168802513, NULL, NULL, NULL, NULL, NULL, 0, 0),
(186, NULL, NULL, NULL, 3, 'other', 'Thiazostatin', '', NULL, 'C15H18N2O3S2', 338.0758838345, NULL, NULL, 7, '283', NULL, 0, 0),
(187, NULL, NULL, NULL, 3, 'other', 'Bis(2-hydroxy-3-tert,butyl-5-methylphenyl)methane', '', NULL, 'C23H32O2', 340.2402302714, NULL, NULL, NULL, NULL, NULL, 0, 0),
(188, NULL, NULL, NULL, 3, 'other', 'Trypacidin', '', NULL, 'C18H16O7', 344.0896028683, NULL, NULL, NULL, NULL, NULL, 0, 0),
(189, NULL, NULL, NULL, 3, 'other', 'Rhodotorulic acid', '', NULL, 'C14H24N4O6', 344.1695845238, NULL, NULL, 7, '69', NULL, 0, 0),
(190, NULL, NULL, NULL, 3, 'other', 'm-Anisic acid', '', NULL, 'C18H18O7', 346.1052529325, NULL, NULL, NULL, NULL, NULL, 0, 0),
(191, NULL, NULL, NULL, 3, 'other', 'Acinetobactin', '', NULL, 'C16H18N4O5', 346.1277197091, NULL, NULL, 7, '47', NULL, 0, 0),
(192, NULL, NULL, NULL, 3, 'other', 'Anguibactin', '', NULL, 'C15H16N4O4S1', 348.0892257128, NULL, NULL, 7, '74', NULL, 0, 0),
(193, NULL, NULL, NULL, 3, 'other', 'Demethoxyfumitremorgin C', '', NULL, 'C21H23N3O2', 349.1790269981, NULL, NULL, NULL, NULL, NULL, 0, 0),
(194, NULL, NULL, NULL, 3, 'other', 'Tryptostatin B', '', NULL, 'C21H25N3O2', 351.1946770623, NULL, NULL, NULL, NULL, NULL, 0, 0),
(195, NULL, NULL, NULL, 3, 'other', 'Didehydrobisdethiobis(methylthio)gliotoxin', '', NULL, 'C15H18N2O4S2', 354.0707984566, NULL, NULL, NULL, NULL, NULL, 0, 0),
(196, NULL, NULL, NULL, 3, 'other', 'Dimethylgliotoxin', '', NULL, 'C15H20N2O4S2', 356.0864485208, NULL, NULL, NULL, NULL, NULL, 0, 0),
(197, NULL, NULL, NULL, 3, 'other', 'fumiquinazolines J', '', NULL, 'C21H16N4O2', 356.1273257786, NULL, NULL, NULL, NULL, NULL, 0, 0),
(198, NULL, NULL, NULL, 3, 'other', 'Gliotoxin E', '', NULL, 'C13H14N2O4S3', 358.0115690182, NULL, NULL, NULL, NULL, NULL, 0, 0),
(199, NULL, NULL, NULL, 3, 'other', 'fumiquinazolines F', '', NULL, 'C21H18N4O2', 358.1429758428, NULL, NULL, NULL, NULL, NULL, 0, 0),
(200, NULL, NULL, NULL, 3, 'other', 'fumiquinazolines G', '', NULL, 'C21H18N4O2', 358.1429758428, NULL, NULL, NULL, NULL, NULL, 0, 0),
(201, NULL, NULL, NULL, 3, 'other', 'Asperfumoid', '', NULL, 'C18H17NO7', 359.1005019056, NULL, NULL, NULL, NULL, NULL, 0, 0),
(202, NULL, NULL, NULL, 3, 'other', 'Spirotryprostatin B', '', NULL, 'C21H21N3O3', 363.158291556, NULL, NULL, NULL, NULL, NULL, 0, 0),
(203, NULL, NULL, NULL, 3, 'other', 'Fumigaclavine C', '', NULL, 'C23H30N2O2', 366.2307282176, NULL, NULL, NULL, NULL, NULL, 0, 0),
(204, NULL, NULL, NULL, 3, 'other', 'Chrysobactin', '', NULL, 'C16H23N3O7', 369.1536001086, NULL, NULL, 7, '90', NULL, 0, 0),
(205, NULL, NULL, NULL, 3, 'other', 'Azaspirene', '', NULL, 'C21H23NO5', 369.157622854, NULL, NULL, NULL, NULL, NULL, 0, 0),
(206, NULL, NULL, NULL, 3, 'other', 'Putrebactin', '', NULL, 'C16H28N4O6', 372.2008846522, NULL, NULL, 7, '63', NULL, 0, 0),
(207, NULL, NULL, NULL, 3, 'other', 'Asperfumin', '', NULL, 'C19H20O8', 376.1158176188, NULL, NULL, NULL, NULL, NULL, 0, 0),
(208, NULL, NULL, NULL, 3, 'other', 'Rhizobactin', '', NULL, 'C15H27N3O8', 377.1798148591, NULL, NULL, 7, '102', NULL, 0, 0),
(209, NULL, NULL, NULL, 3, 'other', 'Cyclotryprostatine D', '', NULL, 'C21H21N3O4', 379.1532061781, NULL, NULL, NULL, NULL, NULL, 0, 0),
(210, NULL, NULL, NULL, 3, 'other', 'fumitremorgin C', '', NULL, 'C22H25N3O3', 379.1895916844, NULL, NULL, NULL, NULL, NULL, 0, 0),
(211, NULL, NULL, NULL, 3, 'other', 'Cyclotryprostatine C', '', NULL, 'C21H23N3O4', 381.1688562423, NULL, NULL, NULL, NULL, NULL, 0, 0),
(212, NULL, NULL, NULL, 3, 'other', 'tryprostatin A', '', NULL, 'C22H27N3O3', 381.2052417486, NULL, NULL, NULL, NULL, NULL, 0, 0),
(213, NULL, NULL, NULL, 3, 'other', 'Pyrocatechin violet', '', NULL, 'C19H14O7S', 386.0460234941, NULL, NULL, NULL, NULL, NULL, 0, 0),
(214, NULL, NULL, NULL, 3, 'other', 'N-deoxyschizokinen A', '', NULL, 'C16H26N4O7', 386.1801492101, NULL, NULL, NULL, NULL, NULL, 0, 0),
(215, NULL, NULL, NULL, 3, 'other', 'Aspernidine D', '', NULL, 'C24H34O4', 386.2457095798, NULL, NULL, NULL, NULL, NULL, 0, 0),
(216, NULL, NULL, NULL, 3, 'other', 'Sphingofungin B', '', NULL, 'C20H39NO6', 389.2777379897, NULL, NULL, NULL, NULL, NULL, 0, 0),
(217, NULL, NULL, NULL, 3, 'other', 'Gliotoxin G', '', NULL, 'C13H14N2O4S4', 389.9836397082, NULL, NULL, NULL, NULL, NULL, 0, 0),
(218, NULL, NULL, NULL, 3, 'other', '6-methoxyspirotryprostatin B', '', NULL, 'C22H23N3O4', 393.1688562423, NULL, NULL, NULL, NULL, NULL, 0, 0),
(219, NULL, NULL, NULL, 3, 'other', 'Spirotryprostatin A', '', NULL, 'C22H25N3O4', 395.1845063065, NULL, NULL, NULL, NULL, NULL, 0, 0),
(220, NULL, NULL, NULL, 3, 'other', 'F 9775A', '', NULL, 'C21H16O8', 396.0845174904, NULL, NULL, NULL, NULL, NULL, 0, 0),
(221, NULL, NULL, NULL, 3, 'other', 'F 9775B', '', NULL, 'C21H16O8', 396.0845174904, NULL, NULL, NULL, NULL, NULL, 0, 0),
(222, NULL, NULL, NULL, 3, 'other', 'Ergosterol', '', NULL, 'C28H44O', 396.3392160345, NULL, NULL, NULL, NULL, NULL, 0, 0),
(223, NULL, NULL, NULL, 3, 'other', 'Vanchrobactin', '', NULL, 'C16H23N5O7', 397.159748119, NULL, NULL, 7, '118', NULL, 0, 0),
(224, NULL, NULL, NULL, 3, 'other', '24S-Methylcholesta-5,22-dien-3-ol; 4,22-Ergostadien-3-ol', '', NULL, 'C28H46O', 398.3548660987, NULL, NULL, NULL, NULL, NULL, 0, 0),
(225, NULL, NULL, NULL, 3, 'other', 'Aspernidine A', '', NULL, 'C24H33NO4', 399.2409585529, NULL, NULL, NULL, NULL, NULL, 0, 0),
(226, NULL, NULL, NULL, 3, 'other', 'Bisucaberin', '', NULL, 'C18H32N4O6', 400.2321847806, NULL, NULL, 7, '64', NULL, 0, 0),
(227, NULL, NULL, NULL, 3, 'other', 'Sphingofungin F', '', NULL, 'C21H39NO6', 401.2777379897, NULL, NULL, NULL, NULL, NULL, 0, 0),
(228, NULL, NULL, NULL, 3, 'other', 'tryptoquivaline F', '', NULL, 'C22H18N4O4', 402.132805087, NULL, NULL, NULL, NULL, NULL, 0, 0),
(229, NULL, NULL, NULL, 3, 'other', 'fumitremorgin J (tryptoquivaline J)', '', NULL, 'C22H18N4O4', 402.132805087, NULL, NULL, NULL, NULL, NULL, 0, 0),
(230, NULL, NULL, NULL, 3, 'other', 'tryptoquivaline O', '', NULL, 'C22H18N4O4', 402.132805087, NULL, NULL, NULL, NULL, NULL, 0, 0),
(231, NULL, NULL, NULL, 3, 'other', 'Schizokinen A', '', NULL, 'C16H26N4O8', 402.1750638322, NULL, NULL, 7, '105', NULL, 0, 0),
(232, NULL, NULL, NULL, 3, 'other', 'Aspernidine E', '', NULL, 'C24H34O5', 402.2406242019, NULL, NULL, NULL, NULL, NULL, 0, 0),
(233, NULL, NULL, NULL, 3, 'other', 'Salmochelin SX (Pacifarinic acid)', '', NULL, 'C16H21N1O11', 403.1114605224, NULL, NULL, 7, '241', NULL, 0, 0),
(234, NULL, NULL, NULL, 3, 'other', 'Myxochelin B', '', NULL, 'C20H25N3O6', 403.1743355507, NULL, NULL, NULL, NULL, NULL, 0, 0);
INSERT INTO `msb_sequence` (`id`, `n_modification_id`, `c_modification_id`, `b_modification_id`, `container_id`, `sequence_type`, `sequence_name`, `sequence`, `sequence_original`, `sequence_formula`, `sequence_mass`, `sequence_smiles`, `usmiles`, `source`, `identifier`, `decays`, `unique_block_count`, `block_count`) VALUES
(235, NULL, NULL, NULL, 3, 'other', 'Myxochelin A', '', NULL, 'C20H24N2O7', 404.1583511355, NULL, NULL, 7, '293', NULL, 0, 0),
(236, NULL, NULL, NULL, 3, 'other', 'Alcaligin', '', NULL, 'C16H28N4O8', 404.1907138964, NULL, NULL, 7, '53', NULL, 0, 0),
(237, NULL, NULL, NULL, 3, 'other', 'N-deoxyschizokinen', '', NULL, 'C16H28N4O8', 404.1907138964, NULL, NULL, 7, '286', NULL, 0, 0),
(238, NULL, NULL, NULL, 3, 'other', 'Shamixanthone', '', NULL, 'C25H26O5', 406.1780239451, NULL, NULL, NULL, NULL, NULL, 0, 0),
(239, NULL, NULL, NULL, 3, 'other', 'Emericellin', '', NULL, 'C25H28O5', 408.1936740093, NULL, NULL, NULL, NULL, NULL, 0, 0),
(240, NULL, NULL, NULL, 3, 'other', 'Orlandin', '', NULL, 'C22H18O8', 410.1001675546, NULL, NULL, NULL, NULL, NULL, 0, 0),
(241, NULL, NULL, NULL, 3, 'other', 'Benarthin', '', NULL, 'C17H25N5O7', 411.1753981832, NULL, NULL, 7, '263', NULL, 0, 0),
(242, NULL, NULL, NULL, 3, 'other', 'Verruculogen TR 3', '', NULL, 'C22H25N3O5', 411.1794209286, NULL, NULL, NULL, NULL, NULL, 0, 0),
(243, NULL, NULL, NULL, 3, 'other', 'Cyclotryprostatine A', '', NULL, 'C22H25N3O5', 411.1794209286, NULL, NULL, NULL, NULL, NULL, 0, 0),
(244, NULL, NULL, NULL, 3, 'other', 'Synerazol', '', NULL, 'C22H23NO7', 413.1474520982, NULL, NULL, NULL, NULL, NULL, 0, 0),
(245, NULL, NULL, NULL, 3, 'other', 'Aspernidine C', '', NULL, 'C25H35NO4', 413.2566086171, NULL, NULL, NULL, NULL, NULL, 0, 0),
(246, NULL, NULL, NULL, 3, 'other', 'Serratiochelin', '', NULL, 'C20H21N3O7', 415.1379500444, NULL, NULL, 7, '288', NULL, 0, 0),
(247, NULL, NULL, NULL, 3, 'other', 'Fusarin Y', '', NULL, 'C22H25NO7', 415.1631021624, NULL, NULL, NULL, NULL, NULL, 0, 0),
(248, NULL, NULL, NULL, 3, 'other', '-12-hydroxyverruculogen TR-2', '', NULL, 'C21H25N3O6', 415.1743355507, NULL, NULL, NULL, NULL, NULL, 0, 0),
(249, NULL, NULL, NULL, 3, 'other', 'Fusarin A', '', NULL, 'C23H29NO6', 415.1994876687, NULL, NULL, NULL, NULL, NULL, 0, 0),
(250, NULL, NULL, NULL, 3, 'other', 'Pseurotin F2', '', NULL, 'C21H23NO8', 417.1423667203, NULL, NULL, NULL, NULL, NULL, 0, 0),
(251, NULL, NULL, NULL, 3, 'other', 'Pistillarin', '', NULL, 'C21H27N3O6', 417.1899856149, NULL, NULL, 7, '85', NULL, 0, 0),
(252, NULL, NULL, NULL, 3, 'other', 'Sphingofungin E', '', NULL, 'C21H39NO7', 417.2726526118, NULL, NULL, NULL, NULL, NULL, 0, 0),
(253, NULL, NULL, NULL, 3, 'other', 'Tryptoquivaline H', '', NULL, 'C22H18N4O5', 418.1277197091, NULL, NULL, NULL, NULL, NULL, 0, 0),
(254, NULL, NULL, NULL, 3, 'other', 'Tryptoquivaline E', '', NULL, 'C22H18N4O5', 418.1277197091, NULL, NULL, NULL, NULL, NULL, 0, 0),
(255, NULL, NULL, NULL, 3, 'other', 'Azotochelin', '', NULL, 'C20H22N2O8', 418.1376156934, NULL, NULL, 7, '87', NULL, 0, 0),
(256, NULL, NULL, NULL, 3, 'other', 'Bisucaberin B', '', NULL, 'C18H34N4O7', 418.2427494669, NULL, NULL, NULL, NULL, NULL, 0, 0),
(257, NULL, NULL, NULL, 3, 'other', 'Schizokinen', '', NULL, 'C16H28N4O9', 420.1856285185, NULL, NULL, 7, '104', NULL, 0, 0),
(258, NULL, NULL, NULL, 3, 'other', 'Norrhizoferrin', '', NULL, 'C15H22N2O12', 422.1172741818, NULL, NULL, NULL, NULL, NULL, 0, 0),
(259, NULL, NULL, NULL, 3, 'other', 'Demethylkotanin', '', NULL, 'C23H20O8', 424.1158176188, NULL, NULL, NULL, NULL, NULL, 0, 0),
(260, NULL, NULL, NULL, 3, 'other', 'Cyclotryprostatine B', '', NULL, 'C23H27N3O5', 425.1950709928, NULL, NULL, NULL, NULL, NULL, 0, 0),
(261, NULL, NULL, NULL, 3, 'other', 'Protostadienol', '', NULL, 'C30H50O', 426.3861662271, NULL, NULL, NULL, NULL, NULL, 0, 0),
(262, NULL, NULL, NULL, 3, 'other', 'cyclo-(Pro-trans-4-OH-Pro)', '', NULL, 'C22H25N3O6', 427.1743355507, NULL, NULL, NULL, NULL, NULL, 0, 0),
(263, NULL, NULL, NULL, 3, 'other', 'Ergosterol peroxide', '', NULL, 'C28H44O3', 428.3290452787, NULL, NULL, NULL, NULL, NULL, 0, 0),
(264, NULL, NULL, NULL, 3, 'other', '2-Azaspiro[4,4]non-7-ene-1,6-dione, 3-benzoyl-8-(1,2-dihydroxy-5-oxo-3-hexenyl)-3,4-dihydroxy-7-methyl-, [3S-[3,4,5(1S*,2R*,3E)]]- (9CI)', '', NULL, 'C22H23NO8', 429.1423667203, NULL, NULL, NULL, NULL, NULL, 0, 0),
(265, NULL, NULL, NULL, 3, 'other', 'Serratiochelins A', '', NULL, 'C21H23N3O7', 429.1536001086, NULL, NULL, 7, '300', NULL, 0, 0),
(266, NULL, NULL, NULL, 3, 'other', 'verruculogen TR-2', '', NULL, 'C22H27N3O6', 429.1899856149, NULL, NULL, NULL, NULL, NULL, 0, 0),
(267, NULL, NULL, NULL, 3, 'other', 'pseurotin A', '', NULL, 'C22H25NO8', 431.1580167845, NULL, NULL, NULL, NULL, NULL, 0, 0),
(268, NULL, NULL, NULL, 3, 'other', 'pseurotin A1', '', NULL, 'C22H25NO8', 431.1580167845, NULL, NULL, NULL, NULL, NULL, 0, 0),
(269, NULL, NULL, NULL, 3, 'other', 'Pseurotin D', '', NULL, 'C22H25NO8', 431.1580167845, NULL, NULL, NULL, NULL, NULL, 0, 0),
(270, NULL, NULL, NULL, 3, 'other', 'Fusarin C', '', NULL, 'C23H29NO7', 431.1944022908, NULL, NULL, NULL, NULL, NULL, 0, 0),
(271, NULL, NULL, NULL, 3, 'other', 'Fumifungin', '', NULL, 'C22H41NO7', 431.288302676, NULL, NULL, NULL, NULL, NULL, 0, 0),
(272, NULL, NULL, NULL, 3, 'other', 'Sphingofungin C', '', NULL, 'C22H41NO7', 431.288302676, NULL, NULL, NULL, NULL, NULL, 0, 0),
(273, NULL, NULL, NULL, 3, 'other', 'Sphingofungin D', '', NULL, 'C22H41NO7', 431.288302676, NULL, NULL, NULL, NULL, NULL, 0, 0),
(274, NULL, NULL, NULL, 3, 'other', 'Sphingofungin A', '', NULL, 'C21H41N3O6', 431.2995360643, NULL, NULL, NULL, NULL, NULL, 0, 0),
(275, NULL, NULL, NULL, 3, 'other', 'Tryptoquivaline L', '', NULL, 'C23H20N4O5', 432.1433697733, NULL, NULL, NULL, NULL, NULL, 0, 0),
(276, NULL, NULL, NULL, 3, 'other', 'Tryptoquivaline G', '', NULL, 'C23H20N4O5', 432.1433697733, NULL, NULL, NULL, NULL, NULL, 0, 0),
(277, NULL, NULL, NULL, 3, 'other', 'Vibrioferrin', '', NULL, 'C16H22N2O12', 434.1172741818, NULL, NULL, 7, '201', NULL, 0, 0),
(278, NULL, NULL, NULL, 3, 'other', 'rhizoferrin', '', NULL, 'C16H24N2O12', 436.132924246, NULL, NULL, 7, '65', NULL, 0, 0),
(279, NULL, NULL, NULL, 3, 'other', '(S,S) enantio Rhizoferrin', '', NULL, 'C16H24N2O12', 436.132924246, NULL, NULL, 7, '86', NULL, 0, 0),
(280, NULL, NULL, NULL, 3, 'other', 'Heterobactin B', '', NULL, 'C19H27N5O7', 437.1910482474, NULL, NULL, 7, '205', NULL, 0, 0),
(281, NULL, NULL, NULL, 3, 'other', 'Kotanin', '', NULL, 'C24H22O8', 438.131467683, NULL, NULL, NULL, NULL, NULL, 0, 0),
(282, NULL, NULL, NULL, 3, 'other', 'fumiquinazolines D', '', NULL, 'C24H21N5O4', 443.1593541885, NULL, NULL, NULL, NULL, NULL, 0, 0),
(283, NULL, NULL, NULL, 3, 'other', 'Fumiquinazoline C', '', NULL, 'C24H21N5O4', 443.1593541885, NULL, NULL, NULL, NULL, NULL, 0, 0),
(284, NULL, NULL, NULL, 3, 'other', 'Cycloprostatine E', '', NULL, 'C23H29N3O6', 443.2056356791, NULL, NULL, NULL, NULL, NULL, 0, 0),
(285, NULL, NULL, NULL, 3, 'other', 'Pseurotin E', '', NULL, 'C22H23NO9', 445.1372813424, NULL, NULL, NULL, NULL, NULL, 0, 0),
(286, NULL, NULL, NULL, 3, 'other', '11-O-methylpseurotin A', '', NULL, 'C23H27NO8', 445.1736668487, NULL, NULL, NULL, NULL, NULL, 0, 0),
(287, NULL, NULL, NULL, 3, 'other', '11-O-methylpseurotin A2', '', NULL, 'C23H27NO8', 445.1736668487, NULL, NULL, NULL, NULL, NULL, 0, 0),
(288, NULL, NULL, NULL, 3, 'other', 'fumiquinazolines A', '', NULL, 'C24H23N5O4', 445.1750042527, NULL, NULL, NULL, NULL, NULL, 0, 0),
(289, NULL, NULL, NULL, 3, 'other', 'Fumiquinazoline B', '', NULL, 'C24H23N5O4', 445.1750042527, NULL, NULL, NULL, NULL, NULL, 0, 0),
(290, NULL, NULL, NULL, 3, 'other', 'Pseurotin B', '', NULL, 'C22H25NO9', 447.1529314066, NULL, NULL, NULL, NULL, NULL, 0, 0),
(291, NULL, NULL, NULL, 3, 'other', 'Pseurotin C', '', NULL, 'C22H25NO9', 447.1529314066, NULL, NULL, NULL, NULL, NULL, 0, 0),
(292, NULL, NULL, NULL, 3, 'other', 'Serratiochelins B', '', NULL, 'C21H25N3O8', 447.1641647949, NULL, NULL, 7, '299', NULL, 0, 0),
(293, NULL, NULL, NULL, 3, 'other', 'Serratiochelins C', '', NULL, 'C21H25N3O8', 447.1641647949, NULL, NULL, 7, '298', NULL, 0, 0),
(294, NULL, NULL, NULL, 3, 'other', 'Fusarin X', '', NULL, 'C23H29NO8', 447.1893169129, NULL, NULL, NULL, NULL, NULL, 0, 0),
(295, NULL, NULL, NULL, 3, 'other', 'Staphyloferrin B', '', NULL, 'C16H24N4O11', 448.1441576343, NULL, NULL, 7, '43', NULL, 0, 0),
(296, NULL, NULL, NULL, 3, 'other', '2-Oxorhizoferrin', '', NULL, 'C16H22N2O13', 450.1121888039, NULL, NULL, NULL, NULL, NULL, 0, 0),
(297, NULL, NULL, NULL, 3, 'other', 'Homorhizoferrin', '', NULL, 'C17H26N2O12', 450.1485743102, NULL, NULL, NULL, NULL, NULL, 0, 0),
(298, NULL, NULL, NULL, 3, 'other', 'Pyripyropene E', '', NULL, 'C27H33NO5', 451.235873175, NULL, NULL, NULL, NULL, NULL, 0, 0),
(299, NULL, NULL, NULL, 3, 'other', 'Oxahomorhizoferrin', '', NULL, 'C16H24N2O13', 452.1278388681, NULL, NULL, NULL, NULL, NULL, 0, 0),
(300, NULL, NULL, NULL, 3, 'other', 'Dehydroaustinol', '', NULL, 'C25H28O8', 456.1784178756, NULL, NULL, NULL, NULL, NULL, 0, 0),
(301, NULL, NULL, NULL, 3, 'other', 'Austinol', '', NULL, 'C25H30O8', 458.1940679398, NULL, NULL, NULL, NULL, NULL, 0, 0),
(302, NULL, NULL, NULL, 3, 'other', 'Fumagillin', '', NULL, 'C26H34O7', 458.2304534461, NULL, NULL, NULL, NULL, NULL, 0, 0),
(303, NULL, NULL, NULL, 3, 'other', 'Desferrioxamine H', '', NULL, 'C20H36N4O8', 460.2533141532, NULL, NULL, 7, '116', NULL, 0, 0),
(304, NULL, NULL, NULL, 3, 'other', '3-hydroxyfumiquinazoline A', '', NULL, 'C24H23N5O5', 461.1699188748, NULL, NULL, NULL, NULL, NULL, 0, 0),
(305, NULL, NULL, NULL, 3, 'other', '2-Methylhomorhizoferrin', '', NULL, 'C18H28N2O12', 464.1642243744, NULL, NULL, NULL, NULL, NULL, 0, 0),
(306, NULL, NULL, NULL, 3, 'other', 'Pyripyropene F', '', NULL, 'C28H35NO5', 465.2515232392, NULL, NULL, NULL, NULL, NULL, 0, 0),
(307, NULL, NULL, NULL, 3, 'other', 'Pyripyropene G', '', NULL, 'C27H33NO6', 467.2307877971, NULL, NULL, NULL, NULL, NULL, 0, 0),
(308, NULL, NULL, NULL, 3, 'other', 'Tryptoquivaline N', '', NULL, 'C26H24N4O5', 472.1746699017, NULL, NULL, NULL, NULL, NULL, 0, 0),
(309, NULL, NULL, NULL, 3, 'other', 'Fumiquinazoline E', '', NULL, 'C25H25N5O5', 475.185568939, NULL, NULL, NULL, NULL, NULL, 0, 0),
(310, NULL, NULL, NULL, 3, 'other', 'Fumagiringillin', '', NULL, 'C26H36O8', 476.2410181324, NULL, NULL, NULL, NULL, NULL, 0, 0),
(311, NULL, NULL, NULL, 3, 'other', 'Arthrobactin', '', NULL, 'C20H36N4O9', 476.2482287753, NULL, NULL, 7, '76', NULL, 0, 0),
(312, NULL, NULL, NULL, 3, 'other', 'Fumitremorgin B', '', NULL, 'C27H33N3O5', 479.2420211854, NULL, NULL, NULL, NULL, NULL, 0, 0),
(313, NULL, NULL, NULL, 3, 'other', 'Staphyloferrin A', '', NULL, 'C17H24N2O14', 480.1227534902, NULL, NULL, 7, '8', NULL, 0, 0),
(314, NULL, NULL, NULL, 3, 'other', 'Yersiniabactin', '', NULL, 'C21H27N3O4S3', 481.1163684407, NULL, NULL, 7, '60', NULL, 0, 0),
(315, NULL, NULL, NULL, 3, 'other', 'Pyripyropene H', '', NULL, 'C28H35NO6', 481.2464378613, NULL, NULL, NULL, NULL, NULL, 0, 0),
(316, NULL, NULL, NULL, 3, 'other', 'Dimerumic acid', '', NULL, 'C22H36N4O8', 484.2533141532, NULL, NULL, 7, '3', NULL, 0, 0),
(317, NULL, NULL, NULL, 3, 'other', 'Pseudomonic acid C', '', NULL, 'C26H44O8', 484.3036183892, NULL, NULL, NULL, NULL, NULL, 0, 0),
(318, NULL, NULL, NULL, 3, 'other', 'Cepaciachelin', '', NULL, 'C24H32N4O7', 488.2270994027, NULL, NULL, NULL, NULL, NULL, 0, 0),
(319, NULL, NULL, NULL, 3, 'other', 'Terrequinone A', '', NULL, 'C32H30N2O3', 490.2256428397, NULL, NULL, NULL, NULL, NULL, 0, 0),
(320, NULL, NULL, NULL, 3, 'other', 'Corynebactin', '', NULL, 'C18H26N2O14', 494.1384035544, NULL, NULL, 7, '296', NULL, 0, 0),
(321, NULL, NULL, NULL, 3, 'other', 'Pseudomonic acid A', '', NULL, 'C26H44O9', 500.2985330113, NULL, NULL, NULL, NULL, NULL, 0, 0),
(322, NULL, NULL, NULL, 3, 'other', 'Tryptoquivaline I', '', NULL, 'C27H26N4O6', 502.185234588, NULL, NULL, NULL, NULL, NULL, 0, 0),
(323, NULL, NULL, NULL, 3, 'other', 'Fusarinine A', '', NULL, 'C22H38N4O9', 502.2638788395, NULL, NULL, 7, '306', NULL, 0, 0),
(324, NULL, NULL, NULL, 3, 'other', 'Synechobactin C', '', NULL, 'C22H40N4O9', 504.2795289037, NULL, NULL, 7, '272', NULL, 0, 0),
(325, NULL, NULL, NULL, 3, 'other', 'Pyripyropene O', '', NULL, 'C29H35NO7', 509.2413524834, NULL, NULL, NULL, NULL, NULL, 0, 0),
(326, NULL, NULL, NULL, 3, 'other', 'verruculogen', '', NULL, 'C27H33N3O7', 511.2318504296, NULL, NULL, NULL, NULL, NULL, 0, 0),
(327, NULL, NULL, NULL, 3, 'other', 'Pseudomonic acid B', '', NULL, 'C26H44O10', 516.2934476334, NULL, NULL, NULL, NULL, NULL, 0, 0),
(328, NULL, NULL, NULL, 3, 'other', 'Pyripyropene P', '', NULL, 'C30H37NO7', 523.2570025476, NULL, NULL, NULL, NULL, NULL, 0, 0),
(329, NULL, NULL, NULL, 3, 'other', 'Pyripyropene R', '', NULL, 'C30H37NO7', 523.2570025476, NULL, NULL, NULL, NULL, NULL, 0, 0),
(330, NULL, NULL, NULL, 3, 'other', 'Helvolinic acid', '', NULL, 'C31H42O7', 526.2930537029, NULL, NULL, NULL, NULL, NULL, 0, 0),
(331, NULL, NULL, NULL, 3, 'other', 'Rhizobactin 1021', '', NULL, 'C24H42N4O9', 530.2951789679, NULL, NULL, 7, '103', NULL, 0, 0),
(332, NULL, NULL, NULL, 3, 'other', 'Tryptoquivaline D', '', NULL, 'C28H28N4O7', 532.1957992743, NULL, NULL, NULL, NULL, NULL, 0, 0),
(333, NULL, NULL, NULL, 3, 'other', 'Tryptoquivaline M', '', NULL, 'C28H28N4O7', 532.1957992743, NULL, NULL, NULL, NULL, NULL, 0, 0),
(334, NULL, NULL, NULL, 3, 'other', 'Norisotryptoquivaline', '', NULL, 'C28H28N4O7', 532.1957992743, NULL, NULL, NULL, NULL, NULL, 0, 0),
(335, NULL, NULL, NULL, 3, 'other', 'Synechobactin B', '', NULL, 'C24H44N4O9', 532.3108290321, NULL, NULL, 7, '271', NULL, 0, 0),
(336, NULL, NULL, NULL, 3, 'other', 'Desferrioxamine A2', '', NULL, 'C23H44N6O8', 532.3220624204, NULL, NULL, 7, '107', NULL, 0, 0),
(337, NULL, NULL, NULL, 3, 'other', 'Pyripyropene Q', '', NULL, 'C30H37NO8', 539.2519171697, NULL, NULL, NULL, NULL, NULL, 0, 0),
(338, NULL, NULL, NULL, 3, 'other', 'tryptoquivaline C', '', NULL, 'C29H30N4O7', 546.2114493385, NULL, NULL, NULL, NULL, NULL, 0, 0),
(339, NULL, NULL, NULL, 3, 'other', 'Isotryptoquivaline', '', NULL, 'C29H30N4O7', 546.2114493385, NULL, NULL, NULL, NULL, NULL, 0, 0),
(340, NULL, NULL, NULL, 3, 'other', 'Desferrioxamine A1', '', NULL, 'C24H46N6O8', 546.3377124846, NULL, NULL, 7, '106', NULL, 0, 0),
(341, NULL, NULL, NULL, 3, 'other', 'Micacocidin P2', '', NULL, 'C26H35N3O4S3', 549.1789686975, NULL, NULL, NULL, NULL, NULL, 0, 0),
(342, NULL, NULL, NULL, 3, 'other', 'Micacocidin P1', '', NULL, 'C26H37N3O4S3', 551.1946187617, NULL, NULL, NULL, NULL, NULL, 0, 0),
(343, NULL, NULL, NULL, 3, 'other', 'Pyripyropene N', '', NULL, 'C31H39NO8', 553.2675672339, NULL, NULL, NULL, NULL, NULL, 0, 0),
(344, NULL, NULL, NULL, 3, 'other', 'Desferrioxamine X2', '', NULL, 'C24H42N6O9', 558.3013269783, NULL, NULL, 7, '128', NULL, 0, 0),
(345, NULL, NULL, NULL, 3, 'other', 'Synechobactin A', '', NULL, 'C26H48N4O9', 560.3421291605, NULL, NULL, 7, '270', NULL, 0, 0),
(346, NULL, NULL, NULL, 3, 'other', 'Desferrioxamine B', '', NULL, 'C25H48N6O8', 560.3533625488, NULL, NULL, 7, '45', NULL, 0, 0),
(347, NULL, NULL, NULL, 3, 'other', 'Micacocidin P3', '', NULL, 'C27H37N3O4S3', 563.1946187617, NULL, NULL, NULL, NULL, NULL, 0, 0),
(348, NULL, NULL, NULL, 3, 'other', 'Aerobactin', '', NULL, 'C22H36N4O13', 564.2278872637, NULL, NULL, 7, '70', NULL, 0, 0),
(349, NULL, NULL, NULL, 3, 'other', 'Micacocidin', '', NULL, 'C27H39N3O4S3', 565.2102688259, NULL, NULL, 7, '287', NULL, 0, 0),
(350, NULL, NULL, NULL, 3, 'other', 'Coelichelin', '', NULL, 'C21H39N7O11', 565.2707551314, NULL, NULL, 7, '156', NULL, 0, 0),
(351, NULL, NULL, NULL, 3, 'other', 'helvolic acid', '', NULL, 'C33H44O8', 568.3036183892, NULL, NULL, NULL, NULL, NULL, 0, 0),
(352, NULL, NULL, NULL, 3, 'other', 'Acetoxyverruculogen', '', NULL, 'C29H35N3O9', 569.237329738, NULL, NULL, NULL, NULL, NULL, 0, 0),
(353, NULL, NULL, NULL, 3, 'other', '29-Nordammara-1,17(20),24-trien-21-oic acid, 6,16-bis(acetyloxy)-3-hydroxy-7-oxo-, (4,6,8,9,13,14,16,17Z)- (9CI)', '', NULL, 'C33H46O8', 570.3192684534, NULL, NULL, NULL, NULL, NULL, 0, 0),
(354, NULL, NULL, NULL, 3, 'other', 'Desferrioxamine X1', '', NULL, 'C25H44N6O9', 572.3169770425, NULL, NULL, 7, '126', NULL, 0, 0),
(355, NULL, NULL, NULL, 3, 'other', 'Nocardia heterobactin (JBIR-16)', '', NULL, 'C26H31N5O10', 573.2070922421, NULL, NULL, 7, '206', NULL, 0, 0),
(356, NULL, NULL, NULL, 3, 'other', 'Tryptoquivaline M acetate', '', NULL, 'C30H30N4O8', 574.2063639606, NULL, NULL, NULL, NULL, NULL, 0, 0),
(357, NULL, NULL, NULL, 3, 'other', 'Demethyltryptoquivaline A', '', NULL, 'C30H30N4O8', 574.2063639606, NULL, NULL, NULL, NULL, NULL, 0, 0),
(358, NULL, NULL, NULL, 3, 'other', 'Desferrioxamine N', '', NULL, 'C26H50N6O8', 574.369012613, NULL, NULL, NULL, NULL, NULL, 0, 0),
(359, NULL, NULL, NULL, 3, 'other', 'Foroxymithine', '', NULL, 'C22H37N7O11', 575.2551050672, NULL, NULL, 7, '231', NULL, 0, 0),
(360, NULL, NULL, NULL, 3, 'other', 'Micacocidin P5', '', NULL, 'C28H39N3O4S3', 577.2102688259, NULL, NULL, NULL, NULL, NULL, 0, 0),
(361, NULL, NULL, NULL, 3, 'other', 'Micacocidin P4', '', NULL, 'C28H41N3O4S3', 579.2259188901, NULL, NULL, NULL, NULL, NULL, 0, 0),
(362, NULL, NULL, NULL, 3, 'other', 'Fumitremorgin A', '', NULL, 'C32H41N3O7', 579.2944506864, NULL, NULL, NULL, NULL, NULL, 0, 0),
(363, NULL, NULL, NULL, 3, 'other', 'Pyripyropene M', '', NULL, 'C32H39NO9', 581.262481856, NULL, NULL, NULL, NULL, NULL, 0, 0),
(364, NULL, NULL, NULL, 3, 'other', 'Pyripyropene A', '', NULL, 'C31H37NO10', 583.2417464139, NULL, NULL, NULL, NULL, NULL, 0, 0),
(365, NULL, NULL, NULL, 3, 'other', 'Acinetoferrin', '', NULL, 'C28H48N4O9', 584.3421291605, NULL, NULL, 7, '46', NULL, 0, 0),
(366, NULL, NULL, NULL, 3, 'other', 'Micacocidin P6', '', NULL, 'C26H36ClN3O4S3', 585.1556467296, NULL, NULL, NULL, NULL, NULL, 0, 0),
(367, NULL, NULL, NULL, 3, 'other', 'Desferrioxamine D2', '', NULL, 'C26H46N6O9', 586.3326271067, NULL, NULL, 7, '110', NULL, 0, 0),
(368, NULL, NULL, NULL, 3, 'other', 'Achromobactin', '', NULL, 'C22H29N3O16', 591.1547819001, NULL, NULL, 7, '91', NULL, 0, 0),
(369, NULL, NULL, NULL, 3, 'other', 'Maduraferrin', '', NULL, 'C26H37N7O9', 591.265275823, NULL, NULL, 7, '305', NULL, 0, 0),
(370, NULL, NULL, NULL, 3, 'other', 'Madurastatin C1', '', NULL, 'C26H37N7O9', 591.265275823, NULL, NULL, 7, '269', NULL, 0, 0),
(371, NULL, NULL, NULL, 3, 'other', 'Nigribactin', '', NULL, 'C30H32N4O9', 592.2169286469, NULL, NULL, 7, '312', NULL, 0, 0),
(372, NULL, NULL, NULL, 3, 'other', 'Pyripyropene B', '', NULL, 'C32H39NO10', 597.2573964781, NULL, NULL, NULL, NULL, NULL, 0, 0),
(373, NULL, NULL, NULL, 3, 'other', 'Pyripyropene C', '', NULL, 'C32H39NO10', 597.2573964781, NULL, NULL, NULL, NULL, NULL, 0, 0),
(374, NULL, NULL, NULL, 3, 'other', 'Pyripyropene D', '', NULL, 'C32H39NO10', 597.2573964781, NULL, NULL, NULL, NULL, NULL, 0, 0),
(375, NULL, NULL, NULL, 3, 'other', 'Heterobactin A', '', NULL, 'C27H30N6O10', 598.2023412152, NULL, NULL, 7, '204', NULL, 0, 0),
(376, NULL, NULL, NULL, 3, 'other', 'Desferrioxamine E', '', NULL, 'C27H48N6O9', 600.3482771709, NULL, NULL, 7, '49', NULL, 0, 0),
(377, NULL, NULL, NULL, 3, 'other', 'Desferrioxamine Et1', '', NULL, 'C26H46N6O10', 602.3275417288, NULL, NULL, NULL, NULL, NULL, 0, 0),
(378, NULL, NULL, NULL, 3, 'other', 'Desferrioxamine D1', '', NULL, 'C27H50N6O9', 602.3639272351, NULL, NULL, 7, '109', NULL, 0, 0),
(379, NULL, NULL, NULL, 3, 'other', 'Erythrochelin', '', NULL, 'C24H41N7O11', 603.2864051956, NULL, NULL, 7, '190', NULL, 0, 0),
(380, NULL, NULL, NULL, 3, 'other', 'Nidulanin', '', NULL, 'C34H45N5O5', 603.342069581, NULL, NULL, NULL, NULL, NULL, 0, 0),
(381, NULL, NULL, NULL, 3, 'other', 'Mirubactin', '', NULL, 'C26H32N6O11', 604.2129059015, NULL, NULL, 7, '297', NULL, 0, 0),
(382, NULL, NULL, NULL, 3, 'other', 'Desferrioxamine Et2', '', NULL, 'C25H44N6O11', 604.3068062867, NULL, NULL, NULL, NULL, NULL, 0, 0),
(383, NULL, NULL, NULL, 3, 'other', 'Desferrioxamine G2A', '', NULL, 'C26H48N6O10', 604.343191793, NULL, NULL, 7, '112', NULL, 0, 0),
(384, NULL, NULL, NULL, 3, 'other', 'Desferrioxamine G2B', '', NULL, 'C26H48N6O10', 604.343191793, NULL, NULL, 7, '114', NULL, 0, 0),
(385, NULL, NULL, NULL, 3, 'other', 'Desferrioxamine G2C', '', NULL, 'C26H48N6O10', 604.343191793, NULL, NULL, 7, '115', NULL, 0, 0),
(386, NULL, NULL, NULL, 3, 'other', 'Desferrioxamine Et3', '', NULL, 'C24H42N6O12', 606.2860708446, NULL, NULL, NULL, NULL, NULL, 0, 0),
(387, NULL, NULL, NULL, 3, 'other', 'Exochelin MS', '', NULL, 'C23H44N8O11', 608.3129542971, NULL, NULL, 7, '173', NULL, 0, 0),
(388, NULL, NULL, NULL, 3, 'other', 'Emericellamide A', '', NULL, 'C31H55N5O7', 609.4101491462, NULL, NULL, NULL, NULL, NULL, 0, 0),
(389, NULL, NULL, NULL, 3, 'other', 'Pyripyropene J', '', NULL, 'C33H41NO10', 611.2730465423, NULL, NULL, NULL, NULL, NULL, 0, 0),
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(411, NULL, NULL, NULL, 3, 'other', 'Enterobactin', '', NULL, 'C30H27N3O15', 669.1442172138, NULL, NULL, 7, '48', NULL, 0, 0),
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(418, NULL, NULL, NULL, 3, 'other', 'Dimethyltriornicin', '', NULL, 'C31H52N6O11', 684.3694065435, NULL, NULL, 7, '158', NULL, 0, 0),
(419, NULL, NULL, NULL, 3, 'other', 'Dimethylisoneocoprogen I', '', NULL, 'C31H52N6O11', 684.3694065435, NULL, NULL, NULL, NULL, NULL, 0, 0),
(420, NULL, NULL, NULL, 3, 'other', 'Acyl-desferrioxamine 4', '', NULL, 'C34H66N6O8', 686.4942131266, NULL, NULL, 7, '223', NULL, 0, 0),
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(424, NULL, NULL, NULL, 3, 'other', 'Amonabactin P693', '', NULL, 'C35H43N5O10', 693.3009926273, NULL, NULL, 7, '292', NULL, 0, 0),
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(426, NULL, NULL, NULL, 3, 'other', 'Heterobactin S2', '', NULL, 'C27H33N7O13S', 695.185704873, NULL, NULL, NULL, NULL, NULL, 0, 0),
(427, NULL, NULL, NULL, 3, 'other', 'isoneocoprogen I', '', NULL, 'C31H50N6O12', 698.3486711014, NULL, NULL, 7, '149', NULL, 0, 0),
(428, NULL, NULL, NULL, 3, 'other', 'isotriornicin', '', NULL, 'C31H50N6O12', 698.3486711014, NULL, NULL, 7, '151', NULL, 0, 0),
(429, NULL, NULL, NULL, 3, 'other', 'Neocoprogen I', '', NULL, 'C31H50N6O12', 698.3486711014, NULL, NULL, 7, '151', NULL, 0, 0),
(430, NULL, NULL, NULL, 3, 'other', 'Triornicin', '', NULL, 'C31H50N6O12', 698.3486711014, NULL, NULL, 7, '149', NULL, 0, 0),
(431, NULL, NULL, NULL, 3, 'other', 'Acyl-desferrioxamine 5', '', NULL, 'C34H64N6O9', 700.4734776845, NULL, NULL, 7, '225', NULL, 0, 0),
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(436, NULL, NULL, NULL, 3, 'other', 'Tsukubachelin', '', NULL, 'C27H49N9O13', 707.344982707, NULL, NULL, 7, '227', NULL, 0, 0),
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(439, NULL, NULL, NULL, 3, 'other', 'Hydroxyneocoprogen I', '', NULL, 'C31H50N6O13', 714.3435857235, NULL, NULL, 7, '160', NULL, 0, 0),
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(448, NULL, NULL, NULL, 3, 'other', 'Dichrysobactin', '', NULL, 'C32H44N6O13', 720.2966355309, NULL, NULL, 7, '218', NULL, 0, 0),
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(463, NULL, NULL, NULL, 3, 'other', 'Amychelin', '', NULL, 'C30H42N8O14', 738.2820480992, NULL, NULL, 7, '303', NULL, 0, 0),
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(471, NULL, NULL, NULL, 3, 'other', 'Tetraglycyl-ferrichrome', '', NULL, 'C29H48N10O13', 744.3402316801, NULL, NULL, NULL, NULL, NULL, 0, 0),
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(522, NULL, NULL, NULL, 3, 'other', 'Petrobactin sulphonate', '', NULL, 'C34H50N6O14S1', 798.3105710356, NULL, NULL, 7, '68', NULL, 0, 0),
(523, NULL, NULL, NULL, 3, 'other', 'Mycobactin F C14', '', NULL, 'C42H65N5O10', 799.4731433335, NULL, NULL, NULL, NULL, NULL, 0, 0),
(524, NULL, NULL, NULL, 3, 'other', 'Mycobactin S C15', '', NULL, 'C42H65N5O10', 799.4731433335, NULL, NULL, NULL, NULL, NULL, 0, 0),
(525, NULL, NULL, NULL, 3, 'other', 'Mycobactin Av C12', '', NULL, 'C42H65N5O10', 799.4731433335, NULL, NULL, NULL, NULL, NULL, 0, 0),
(526, NULL, NULL, NULL, 3, 'other', 'Desferrioxamine T1', '', NULL, 'C36H64N8O12', 800.4643695612, NULL, NULL, 7, '121', NULL, 0, 0),
(527, NULL, NULL, NULL, 3, 'other', 'Carboxymycobactin 1 C7', '', NULL, 'C40H59N5O12', 801.4160223851, NULL, NULL, NULL, NULL, NULL, 0, 0),
(528, NULL, NULL, NULL, 3, 'other', 'Carboxymycobactin 3 C9', '', NULL, 'C40H61N5O12', 803.4316724493, NULL, NULL, NULL, NULL, NULL, 0, 0),
(529, NULL, NULL, NULL, 3, 'other', 'Amphibactin T', '', NULL, 'C36H65N7O13', 803.4640352102, NULL, NULL, NULL, NULL, NULL, 0, 0),
(530, NULL, NULL, NULL, 3, 'other', 'Dibenarthin', '', NULL, 'C34H48N10O13', 804.3402316801, NULL, NULL, 7, '264', NULL, 0, 0),
(531, NULL, NULL, NULL, 3, 'other', 'Cupriachelin', '', NULL, 'C33H57N7O16', 807.3861788197, NULL, NULL, 7, '276', NULL, 0, 0),
(532, NULL, NULL, NULL, 3, 'other', 'Mycobactin F C15', '', NULL, 'C43H67N5O10', 813.4887933977, NULL, NULL, NULL, NULL, NULL, 0, 0),
(533, NULL, NULL, NULL, 3, 'other', 'Mycobactin S C16', '', NULL, 'C43H67N5O10', 813.4887933977, NULL, NULL, NULL, NULL, NULL, 0, 0),
(534, NULL, NULL, NULL, 3, 'other', 'Mycobactin Av C13', '', NULL, 'C43H67N5O10', 813.4887933977, NULL, NULL, NULL, NULL, NULL, 0, 0),
(535, NULL, NULL, NULL, 3, 'other', 'Asperchrome D1', '', NULL, 'C33H55N9O15', 817.3817621438, NULL, NULL, 7, '59', NULL, 0, 0),
(536, NULL, NULL, NULL, 3, 'other', 'Asperchrome D2', '', NULL, 'C33H55N9O15', 817.3817621438, NULL, NULL, 7, '61', NULL, 0, 0),
(537, NULL, NULL, NULL, 3, 'other', 'Asperchrome D3', '', NULL, 'C33H55N9O15', 817.3817621438, NULL, NULL, 7, '62', NULL, 0, 0),
(538, NULL, NULL, NULL, 3, 'other', 'Mycobactin F C16', '', NULL, 'C44H69N5O10', 827.5044434619, NULL, NULL, NULL, NULL, NULL, 0, 0),
(539, NULL, NULL, NULL, 3, 'other', 'Mycobactin M C15', '', NULL, 'C44H69N5O10', 827.5044434619, NULL, NULL, NULL, NULL, NULL, 0, 0),
(540, NULL, NULL, NULL, 3, 'other', 'Mycobactin S C17', '', NULL, 'C44H69N5O10', 827.5044434619, NULL, NULL, NULL, NULL, NULL, 0, 0),
(541, NULL, NULL, NULL, 3, 'other', 'Mycobactin T C17', '', NULL, 'C44H69N5O10', 827.5044434619, NULL, NULL, NULL, NULL, NULL, 0, 0),
(542, NULL, NULL, NULL, 3, 'other', 'Mycobactin Av C14', '', NULL, 'C44H69N5O10', 827.5044434619, NULL, NULL, NULL, NULL, NULL, 0, 0),
(543, NULL, NULL, NULL, 3, 'other', 'Amphibactin S', '', NULL, 'C38H67N7O13', 829.4796852744, NULL, NULL, NULL, NULL, NULL, 0, 0),
(544, NULL, NULL, NULL, 3, 'other', 'Rhodobactin', '', NULL, 'C36H50N10O13', 830.3558817443, NULL, NULL, NULL, NULL, NULL, 0, 0),
(545, NULL, NULL, NULL, 3, 'other', 'Amphibactin D', '', NULL, 'C38H69N7O13', 831.4953353386, NULL, NULL, 7, '165', NULL, 0, 0),
(546, NULL, NULL, NULL, 3, 'other', 'Malonichrome', '', NULL, 'C31H47N9O18', 833.3039057533, NULL, NULL, 7, '133', NULL, 0, 0),
(547, NULL, NULL, NULL, 3, 'other', 'Mycobactin P C15', '', NULL, 'C45H71N5O10', 841.5200935261, NULL, NULL, 7, '77', NULL, 0, 0),
(548, NULL, NULL, NULL, 3, 'other', 'Mycobactin F C17', '', NULL, 'C45H71N5O10', 841.5200935261, NULL, NULL, NULL, NULL, NULL, 0, 0),
(549, NULL, NULL, NULL, 3, 'other', 'Mycobactin M C16', '', NULL, 'C45H71N5O10', 841.5200935261, NULL, NULL, NULL, NULL, NULL, 0, 0),
(550, NULL, NULL, NULL, 3, 'other', 'Mycobactin N C15', '', NULL, 'C45H71N5O10', 841.5200935261, NULL, NULL, NULL, NULL, NULL, 0, 0),
(551, NULL, NULL, NULL, 3, 'other', 'Mycobactin S C18', '', NULL, 'C45H71N5O10', 841.5200935261, NULL, NULL, NULL, NULL, NULL, 0, 0),
(552, NULL, NULL, NULL, 3, 'other', 'Mycobactin T C18', '', NULL, 'C45H71N5O10', 841.5200935261, NULL, NULL, NULL, NULL, NULL, 0, 0),
(553, NULL, NULL, NULL, 3, 'other', 'Mycobactin Av C15', '', NULL, 'C45H71N5O10', 841.5200935261, NULL, NULL, NULL, NULL, NULL, 0, 0),
(554, NULL, NULL, NULL, 3, 'other', 'Mycobactin J', '', NULL, 'C45H71N5O10', 841.5200935261, NULL, NULL, NULL, NULL, NULL, 0, 0),
(555, NULL, NULL, NULL, 3, 'other', 'Amphibactin B', '', NULL, 'C38H69N7O14', 847.4902499607, NULL, NULL, 7, '163', NULL, 0, 0),
(556, NULL, NULL, NULL, 3, 'other', 'Neurosporin', '', NULL, 'C39H60N6O15', 852.4116652887, NULL, NULL, 7, '143', NULL, 0, 0),
(557, NULL, NULL, NULL, 3, 'other', 'N\',N\',N\'- triacetylfusarinin C', '', NULL, 'C39H60N6O15', 852.4116652887, NULL, NULL, 7, '39', NULL, 0, 0),
(558, NULL, NULL, NULL, 3, 'other', 'Mycobactin P C16', '', NULL, 'C46H73N5O10', 855.5357435903, NULL, NULL, NULL, NULL, NULL, 0, 0),
(559, NULL, NULL, NULL, 3, 'other', 'Mycobactin H C17', '', NULL, 'C46H73N5O10', 855.5357435903, NULL, NULL, NULL, NULL, NULL, 0, 0),
(560, NULL, NULL, NULL, 3, 'other', 'Mycobactin M C17', '', NULL, 'C46H73N5O10', 855.5357435903, NULL, NULL, NULL, NULL, NULL, 0, 0),
(561, NULL, NULL, NULL, 3, 'other', 'Mycobactin N C16', '', NULL, 'C46H73N5O10', 855.5357435903, NULL, NULL, NULL, NULL, NULL, 0, 0),
(562, NULL, NULL, NULL, 3, 'other', 'Mycobactin S C19', '', NULL, 'C46H73N5O10', 855.5357435903, NULL, NULL, NULL, NULL, NULL, 0, 0),
(563, NULL, NULL, NULL, 3, 'other', 'Mycobactin T C19', '', NULL, 'C46H73N5O10', 855.5357435903, NULL, NULL, NULL, NULL, NULL, 0, 0),
(564, NULL, NULL, NULL, 3, 'other', 'Mycobactin Av C16', '', NULL, 'C46H73N5O10', 855.5357435903, NULL, NULL, NULL, NULL, NULL, 0, 0),
(565, NULL, NULL, NULL, 3, 'other', 'Amphibactin E', '', NULL, 'C40H71N7O13', 857.5109854028, NULL, NULL, 7, '166', NULL, 0, 0),
(566, NULL, NULL, NULL, 3, 'other', 'Amphibactin H', '', NULL, 'C40H73N7O13', 859.526635467, NULL, NULL, 7, '169', NULL, 0, 0),
(567, NULL, NULL, NULL, 3, 'other', 'Dioscin', '', NULL, 'C45H72O16', 868.4820362648, NULL, NULL, NULL, NULL, NULL, 0, 0),
(568, NULL, NULL, NULL, 3, 'other', 'Mycobactin P C17', '', NULL, 'C47H75N5O10', 869.5513936545, NULL, NULL, NULL, NULL, NULL, 0, 0),
(569, NULL, NULL, NULL, 3, 'other', 'Mycobactin H C18', '', NULL, 'C47H75N5O10', 869.5513936545, NULL, NULL, NULL, NULL, NULL, 0, 0),
(570, NULL, NULL, NULL, 3, 'other', 'Mycobactin M C18', '', NULL, 'C47H75N5O10', 869.5513936545, NULL, NULL, NULL, NULL, NULL, 0, 0),
(571, NULL, NULL, NULL, 3, 'other', 'Mycobactin N C17', '', NULL, 'C47H75N5O10', 869.5513936545, NULL, NULL, NULL, NULL, NULL, 0, 0),
(572, NULL, NULL, NULL, 3, 'other', 'Mycobactin T C20', '', NULL, 'C47H75N5O10', 869.5513936545, NULL, NULL, NULL, NULL, NULL, 0, 0),
(573, NULL, NULL, NULL, 3, 'other', 'Mycobactin Av C17', '', NULL, 'C47H75N5O10', 869.5513936545, NULL, NULL, NULL, NULL, NULL, 0, 0),
(574, NULL, NULL, NULL, 3, 'other', 'Amphibactin C', '', NULL, 'C40H71N7O14', 873.5059000249, NULL, NULL, 7, '164', NULL, 0, 0),
(575, NULL, NULL, NULL, 3, 'other', 'Amphibactin F', '', NULL, 'C40H73N7O14', 875.5215500891, NULL, NULL, 7, '167', NULL, 0, 0),
(576, NULL, NULL, NULL, 3, 'other', 'Petrobactin disulphonate', '', NULL, 'C34H50N6O17S2', 878.2673855919, NULL, NULL, 7, '308', NULL, 0, 0),
(577, NULL, NULL, NULL, 3, 'other', 'Bacillibactin', '', NULL, 'C39H42N6O18', 882.2555585772, NULL, NULL, 7, '66', NULL, 0, 0),
(578, NULL, NULL, NULL, 3, 'other', 'Mycobactin P C18', '', NULL, 'C48H77N5O10', 883.5670437187, NULL, NULL, NULL, NULL, NULL, 0, 0),
(579, NULL, NULL, NULL, 3, 'other', 'Mycobactin H C19', '', NULL, 'C48H77N5O10', 883.5670437187, NULL, NULL, NULL, NULL, NULL, 0, 0),
(580, NULL, NULL, NULL, 3, 'other', 'Mycobactin N C18', '', NULL, 'C48H77N5O10', 883.5670437187, NULL, NULL, NULL, NULL, NULL, 0, 0),
(581, NULL, NULL, NULL, 3, 'other', 'Mycobactin R', '', NULL, 'C48H77N5O10', 883.5670437187, NULL, NULL, NULL, NULL, NULL, 0, 0),
(582, NULL, NULL, NULL, 3, 'other', 'Mycobactin Av C18', '', NULL, 'C48H77N5O10', 883.5670437187, NULL, NULL, NULL, NULL, NULL, 0, 0),
(583, NULL, NULL, NULL, 3, 'other', 'Amphibactin I', '', NULL, 'C42H75N7O13', 885.5422855312, NULL, NULL, 7, '170', NULL, 0, 0),
(584, NULL, NULL, NULL, 3, 'other', 'Asperchrome B1', '', NULL, 'C37H61N9O16', 887.4236269585, NULL, NULL, 7, '55', NULL, 0, 0),
(585, NULL, NULL, NULL, 3, 'other', 'Asperchrome B2', '', NULL, 'C37H61N9O16', 887.4236269585, NULL, NULL, 7, '134', NULL, 0, 0),
(586, NULL, NULL, NULL, 3, 'other', 'Asperchrome B3', '', NULL, 'C37H61N9O16', 887.4236269585, NULL, NULL, 7, '135', NULL, 0, 0),
(587, NULL, NULL, NULL, 3, 'other', 'Mycobactin P C19', '', NULL, 'C49H79N5O10', 897.5826937829, NULL, NULL, NULL, NULL, NULL, 0, 0),
(588, NULL, NULL, NULL, 3, 'other', 'Amphibactin G', '', NULL, 'C42H75N7O14', 901.5372001533, NULL, NULL, 7, '168', NULL, 0, 0),
(589, NULL, NULL, NULL, 3, 'other', 'paenibactin', '', NULL, 'C42H48N6O18', 924.3025087698, NULL, NULL, 7, '304', NULL, 0, 0),
(590, NULL, NULL, NULL, 3, 'other', 'Ferrimycin', '', NULL, 'C41H70N10O14', 926.5072970084, NULL, NULL, 7, '277', NULL, 0, 0),
(591, NULL, NULL, NULL, 3, 'other', 'Alterobactin A', '', NULL, 'C36H53N11O18', 927.3570039563, NULL, NULL, 7, '309', NULL, 0, 0),
(592, NULL, NULL, NULL, 3, 'other', 'Marinobactin A', '', NULL, 'C40H69N9O16', 931.4862272153, NULL, NULL, NULL, NULL, NULL, 0, 0),
(593, NULL, NULL, NULL, 3, 'other', 'Asperchrome A', '', NULL, 'C41H67N9O16', 941.4705771511, NULL, NULL, 7, '58', NULL, 0, 0),
(594, NULL, NULL, NULL, 3, 'other', 'Alterobactin B', '', NULL, 'C36H55N11O19', 945.3675686426, NULL, NULL, 7, '310', NULL, 0, 0),
(595, NULL, NULL, NULL, 3, 'other', 'Albomycin', '', NULL, 'C36H59N11O17S1', 949.3811102168, NULL, NULL, 7, '239', NULL, 0, 0),
(596, NULL, NULL, NULL, 3, 'other', 'Albomycin 1', '', NULL, 'C36H58N10O18S1', 950.3651258016, NULL, NULL, 7, '237', NULL, 0, 0),
(597, NULL, NULL, NULL, 3, 'other', 'Asperchrome E', '', NULL, 'C41H67N9O17', 957.4654917732, NULL, NULL, 7, '137', NULL, 0, 0),
(598, NULL, NULL, NULL, 3, 'other', 'Ferrirhodin', '', NULL, 'C41H67N9O17', 957.4654917732, NULL, NULL, 7, '98', NULL, 0, 0),
(599, NULL, NULL, NULL, 3, 'other', 'Ferrirubin', '', NULL, 'C41H67N9O17', 957.4654917732, NULL, NULL, 7, '56', NULL, 0, 0),
(600, NULL, NULL, NULL, 3, 'other', 'Marinobactin B', '', NULL, 'C42H71N9O16', 957.5018772795, NULL, NULL, NULL, NULL, NULL, 0, 0),
(601, NULL, NULL, NULL, 3, 'other', 'Marinobactin C', '', NULL, 'C42H73N9O16', 959.5175273437, NULL, NULL, NULL, NULL, NULL, 0, 0),
(602, NULL, NULL, NULL, 3, 'other', 'Taiwachelin', '', NULL, 'C41H70N8O18', 962.4808074864, NULL, NULL, 7, '311', NULL, 0, 0),
(603, NULL, NULL, NULL, 3, 'other', 'palmitoylcoprogen', '', NULL, 'C49H84N6O13', 964.6096368149, NULL, NULL, 7, '162', NULL, 0, 0),
(604, NULL, NULL, NULL, 3, 'other', 'Salmycin C', '', NULL, 'C40H70N6O21', 970.4594033423, NULL, NULL, NULL, NULL, NULL, 0, 0),
(605, NULL, NULL, NULL, 3, 'other', 'Asperchrome F1', '', NULL, 'C41H69N9O18', 975.4760564595, NULL, NULL, 7, '138', NULL, 0, 0),
(606, NULL, NULL, NULL, 3, 'other', 'Asperchrome F2', '', NULL, 'C41H69N9O18', 975.4760564595, NULL, NULL, 7, '139', NULL, 0, 0),
(607, NULL, NULL, NULL, 3, 'other', 'Asperchrome F3', '', NULL, 'C41H69N9O18', 975.4760564595, NULL, NULL, 7, '140', NULL, 0, 0),
(608, NULL, NULL, NULL, 3, 'other', 'Salmycin B', '', NULL, 'C41H72N6O21', 984.4750534065, NULL, NULL, NULL, NULL, NULL, 0, 0),
(609, NULL, NULL, NULL, 3, 'other', 'Marinobactin D1', '', NULL, 'C44H75N9O16', 985.5331774079, NULL, NULL, NULL, NULL, NULL, 0, 0),
(610, NULL, NULL, NULL, 3, 'other', 'Marinobactin D2', '', NULL, 'C44H75N9O16', 985.5331774079, NULL, NULL, NULL, NULL, NULL, 0, 0),
(611, NULL, NULL, NULL, 3, 'other', 'Marinobactin E', '', NULL, 'C44H77N9O16', 987.5488274721, NULL, NULL, NULL, NULL, NULL, 0, 0),
(612, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 6,1 (Pseudobactin)', '', NULL, 'C42H60N12O16', 988.425023942, NULL, NULL, NULL, NULL, NULL, 0, 0),
(613, NULL, NULL, NULL, 3, 'other', 'Pyoverdin B10', '', NULL, 'C42H60N12O16', 988.425023942, NULL, NULL, NULL, NULL, NULL, 0, 0);
INSERT INTO `msb_sequence` (`id`, `n_modification_id`, `c_modification_id`, `b_modification_id`, `container_id`, `sequence_type`, `sequence_name`, `sequence`, `sequence_original`, `sequence_formula`, `sequence_mass`, `sequence_smiles`, `usmiles`, `source`, `identifier`, `decays`, `unique_block_count`, `block_count`) VALUES
(614, NULL, NULL, NULL, 3, 'other', 'Pseudobactin A', '', NULL, 'C42H62N12O16', 990.4406740062, NULL, NULL, NULL, NULL, NULL, 0, 0),
(615, NULL, NULL, NULL, 3, 'other', 'Albomycin 2', '', NULL, 'C37H60N12O18S1', 992.3869238762, NULL, NULL, 7, '238', NULL, 0, 0),
(616, NULL, NULL, NULL, 3, 'other', 'Salmochelin S4', '', NULL, 'C42H47N3O25', 993.2498640768, NULL, NULL, 7, '117', NULL, 0, 0),
(617, NULL, NULL, NULL, 3, 'other', 'Corrugatin', '', NULL, 'C40H63N13O17', 997.4464876656, NULL, NULL, 7, '95', NULL, 0, 0),
(618, NULL, NULL, NULL, 3, 'other', 'Ferrichrome A', '', NULL, 'C41H61N9O20', 999.4032854469, NULL, NULL, 7, '78', NULL, 0, 0),
(619, NULL, NULL, NULL, 3, 'other', 'Asperchrome C', '', NULL, 'C43H69N9O18', 999.4760564595, NULL, NULL, 7, '136', NULL, 0, 0),
(620, NULL, NULL, NULL, 3, 'other', 'Salmycin A', '', NULL, 'C41H73N7O21', 999.4859524438, NULL, NULL, 7, '240', NULL, 0, 0),
(621, NULL, NULL, NULL, 3, 'other', 'Salmochelin S2', '', NULL, 'C42H49N3O26', 1011.2604287631, NULL, NULL, 7, '200', NULL, 0, 0),
(622, NULL, NULL, NULL, 3, 'other', 'Salmochelin S3', '', NULL, 'C42H49N3O26', 1011.2604287631, NULL, NULL, NULL, NULL, NULL, 0, 0),
(623, NULL, NULL, NULL, 3, 'other', 'Ornicorrugatin', '', NULL, 'C41H65N13O17', 1011.4621377298, NULL, NULL, 7, '96', NULL, 0, 0),
(624, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Thai', '', NULL, 'C43H60N12O17', 1016.4199385641, NULL, NULL, NULL, NULL, NULL, 0, 0),
(625, NULL, NULL, NULL, 3, 'other', 'Epichloenin B', '', NULL, 'C44H71N11O17', 1025.502939912, NULL, NULL, NULL, NULL, NULL, 0, 0),
(626, NULL, NULL, NULL, 3, 'other', 'Fuscachelin A', '', NULL, 'C42H59N15O16', 1029.4264209255, NULL, NULL, 7, '189', NULL, 0, 0),
(627, NULL, NULL, NULL, 3, 'other', 'Pseudoprotodioscin', '', NULL, 'C51H82O21', 1030.5348596963, NULL, NULL, NULL, NULL, NULL, 0, 0),
(628, NULL, NULL, NULL, 3, 'other', 'Protodioscin', '', NULL, 'C51H82O21', 1030.5348596963, NULL, NULL, NULL, NULL, NULL, 0, 0),
(629, NULL, NULL, NULL, 3, 'other', 'Epichloeamide', '', NULL, 'C46H74N12O15', 1034.5396597693, NULL, NULL, NULL, NULL, NULL, 0, 0),
(630, NULL, NULL, NULL, 3, 'other', 'Aquachelin J', '', NULL, 'C42H72N10O20', 1036.4924348052, NULL, NULL, NULL, NULL, NULL, 0, 0),
(631, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 9AW (amide)', '', NULL, 'C44H62N14O16', 1042.4468220166, NULL, NULL, NULL, NULL, NULL, 0, 0),
(632, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 9AW', '', NULL, 'C44H61N13O17', 1043.4308376014, NULL, NULL, NULL, NULL, NULL, 0, 0),
(633, NULL, NULL, NULL, 3, 'other', 'Pyoverdin R\'', '', NULL, 'C43H60N14O17', 1044.4260865745, NULL, NULL, NULL, NULL, NULL, 0, 0),
(634, NULL, NULL, NULL, 3, 'other', 'Pyoverdin PL7', '', NULL, 'C44H62N12O18', 1046.4305032504, NULL, NULL, NULL, NULL, NULL, 0, 0),
(635, NULL, NULL, NULL, 3, 'other', 'Fuscachelin C', '', NULL, 'C42H62N16O16', 1046.452970027, NULL, NULL, 7, '229', NULL, 0, 0),
(636, NULL, NULL, NULL, 3, 'other', 'Fuscachelin B', '', NULL, 'C42H61N15O17', 1047.4369856118, NULL, NULL, 7, '228', NULL, 0, 0),
(637, NULL, NULL, NULL, 3, 'other', 'Pyoverdin BTP2 (amide)', '', NULL, 'C43H60N12O19', 1048.4097678083, NULL, NULL, NULL, NULL, NULL, 0, 0),
(638, NULL, NULL, NULL, 3, 'other', 'Pyoverdin BTP2', '', NULL, 'C43H59N11O20', 1049.3937833931, NULL, NULL, NULL, NULL, NULL, 0, 0),
(639, NULL, NULL, NULL, 3, 'other', 'Cyclic trichrisobactin', '', NULL, 'C48H63N9O18', 1053.4291062669, NULL, NULL, 7, '216', NULL, 0, 0),
(640, NULL, NULL, NULL, 3, 'other', 'Hexadehydro-Astechrome', '', NULL, 'C60H63N9O9', 1053.474874668, NULL, NULL, NULL, NULL, NULL, 0, 0),
(641, NULL, NULL, NULL, 3, 'other', 'Loihichelin A', '', NULL, 'C44H73N11O19', 1059.5084192204, NULL, NULL, NULL, NULL, NULL, 0, 0),
(642, NULL, NULL, NULL, 3, 'other', 'Astechrome', '', NULL, 'C60H69N9O9', 1059.5218248606, NULL, NULL, NULL, NULL, NULL, 0, 0),
(643, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 1W', '', NULL, 'C45H68N14O16', 1060.4937722092, NULL, NULL, NULL, NULL, NULL, 0, 0),
(644, NULL, NULL, NULL, 3, 'other', 'Aquachelin A', '', NULL, 'C44H74N10O20', 1062.5080848694, NULL, NULL, 7, '198', NULL, 0, 0),
(645, NULL, NULL, NULL, 3, 'other', 'Aquachelin B', '', NULL, 'C44H76N10O20', 1064.5237349336, NULL, NULL, NULL, NULL, NULL, 0, 0),
(646, NULL, NULL, NULL, 3, 'other', 'Linear trichrisobactin', '', NULL, 'C48H65N9O19', 1071.4396709532, NULL, NULL, 7, '217', NULL, 0, 0),
(647, NULL, NULL, NULL, 3, 'other', 'Pyoverdin G4R', '', NULL, 'C44H60N14O18', 1072.4210011966, NULL, NULL, NULL, NULL, NULL, 0, 0),
(648, NULL, NULL, NULL, 3, 'other', 'Pyoverdin G4R A', '', NULL, 'C44H59N13O19', 1073.4050167814, NULL, NULL, NULL, NULL, NULL, 0, 0),
(649, NULL, NULL, NULL, 3, 'other', 'Isopyoverdin', '', NULL, 'C44H60N12O20', 1076.4046824304, NULL, NULL, NULL, NULL, NULL, 0, 0),
(650, NULL, NULL, NULL, 3, 'other', 'Pseudoalterobactin A', '', NULL, 'C41H63N11O21S1', 1077.3920688336, NULL, NULL, 7, '301', NULL, 0, 0),
(651, NULL, NULL, NULL, 3, 'other', 'Aquachelin I', '', NULL, 'C44H76N10O21', 1080.5186495557, NULL, NULL, NULL, NULL, NULL, 0, 0),
(652, NULL, NULL, NULL, 3, 'other', 'Epichloenin A', '', NULL, 'C46H74N12O18', 1082.5244036356, NULL, NULL, NULL, NULL, NULL, 0, 0),
(653, NULL, NULL, NULL, 3, 'other', 'Loihichelin C', '', NULL, 'C46H75N11O19', 1085.5240692846, NULL, NULL, NULL, NULL, NULL, 0, 0),
(654, NULL, NULL, NULL, 3, 'other', 'Loihichelin D', '', NULL, 'C46H77N11O19', 1087.5397193488, NULL, NULL, NULL, NULL, NULL, 0, 0),
(655, NULL, NULL, NULL, 3, 'other', 'Azoverdin', '', NULL, 'C46H67N13O18', 1089.4727024161, NULL, NULL, NULL, NULL, NULL, 0, 0),
(656, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Ps 6,10 (amide)', '', NULL, 'C46H70N14O17', 1090.5043368955, NULL, NULL, NULL, NULL, NULL, 0, 0),
(657, NULL, NULL, NULL, 3, 'other', 'Aquachelin C', '', NULL, 'C46H78N10O20', 1090.5393849978, NULL, NULL, NULL, NULL, NULL, 0, 0),
(658, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 27853', '', NULL, 'C45H65N13O19', 1091.451966974, NULL, NULL, NULL, NULL, NULL, 0, 0),
(659, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Ps 6,10', '', NULL, 'C46H69N13O18', 1091.4883524803, NULL, NULL, NULL, NULL, NULL, 0, 0),
(660, NULL, NULL, NULL, 3, 'other', 'Pyoverdin ATCC 39167', '', NULL, 'C43H56N12O22', 1092.3632115462, NULL, NULL, NULL, NULL, NULL, 0, 0),
(661, NULL, NULL, NULL, 3, 'other', 'Pyoverdin P cic, (amide)', '', NULL, 'C44H60N12O21', 1092.3995970525, NULL, NULL, NULL, NULL, NULL, 0, 0),
(662, NULL, NULL, NULL, 3, 'other', 'Aquachelin D', '', NULL, 'C46H80N10O20', 1092.555035062, NULL, NULL, NULL, NULL, NULL, 0, 0),
(663, NULL, NULL, NULL, 3, 'other', 'Pyoverdin P cic,', '', NULL, 'C44H59N11O22', 1093.3836126373, NULL, NULL, NULL, NULL, NULL, 0, 0),
(664, NULL, NULL, NULL, 3, 'other', 'Azotabactin P19', '', NULL, 'C43H59N12O22', 1095.3866866425, NULL, NULL, NULL, NULL, NULL, 0, 0),
(665, NULL, NULL, NULL, 3, 'other', 'Pyoverdin PL8', '', NULL, 'C47H69N13O18', 1103.4883524803, NULL, NULL, NULL, NULL, NULL, 0, 0),
(666, NULL, NULL, NULL, 3, 'other', 'Loihichelin B', '', NULL, 'C46H77N11O20', 1103.5346339709, NULL, NULL, NULL, NULL, NULL, 0, 0),
(667, NULL, NULL, NULL, 3, 'other', 'Pseudoalterobactin B', '', NULL, 'C41H63N13O21S1', 1105.398216844, NULL, NULL, 7, '302', NULL, 0, 0),
(668, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 11370 (amide)', '', NULL, 'C45H63N13O20', 1105.4312315319, NULL, NULL, NULL, NULL, NULL, 0, 0),
(669, NULL, NULL, NULL, 3, 'other', '5-chloropyoverdin G4R', '', NULL, 'C44H59ClN14O18', 1106.3820291645, NULL, NULL, NULL, NULL, NULL, 0, 0),
(670, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 11370', '', NULL, 'C45H62N12O21', 1106.4152471167, NULL, NULL, NULL, NULL, NULL, 0, 0),
(671, NULL, NULL, NULL, 3, 'other', '5-chloropyoverdin G4R A', '', NULL, 'C44H58ClN13O19', 1107.3660447493, NULL, NULL, NULL, NULL, NULL, 0, 0),
(672, NULL, NULL, NULL, 3, 'other', 'Pyoverdin PL9', '', NULL, 'C43H56N12O23', 1108.3581261683, NULL, NULL, NULL, NULL, NULL, 0, 0),
(673, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 2908', '', NULL, 'C44H60N12O22', 1108.3945116746, NULL, NULL, NULL, NULL, NULL, 0, 0),
(674, NULL, NULL, NULL, 3, 'other', 'Loihichelin E', '', NULL, 'C48H79N11O19', 1113.555369413, NULL, NULL, NULL, NULL, NULL, 0, 0),
(675, NULL, NULL, NULL, 3, 'other', 'Pyoverdine Pfl W (cyclo)', '', NULL, 'C45H60N15O19', 1114.4189898239, NULL, NULL, NULL, NULL, NULL, 0, 0),
(676, NULL, NULL, NULL, 3, 'other', 'Loihichelin F', '', NULL, 'C48H81N11O19', 1115.5710194772, NULL, NULL, NULL, NULL, NULL, 0, 0),
(677, NULL, NULL, NULL, 3, 'other', 'Azoverdin G', '', NULL, 'C47H69N13O19', 1119.4832671024, NULL, NULL, NULL, NULL, NULL, 0, 0),
(678, NULL, NULL, NULL, 3, 'other', 'Pyoverdin G76', '', NULL, 'C46H64N12O21', 1120.4308971809, NULL, NULL, NULL, NULL, NULL, 0, 0),
(679, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Syr 19310 (amide)', '', NULL, 'C45H64N12O23', 1140.4207264251, NULL, NULL, NULL, NULL, NULL, 0, 0),
(680, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Syr 19310', '', NULL, 'C45H63N11O24', 1141.4047420099, NULL, NULL, NULL, NULL, NULL, 0, 0),
(681, NULL, NULL, NULL, 3, 'other', 'Pseudobactin P39167-II', '', NULL, 'C46H63N13O22', 1149.4210607761, NULL, NULL, NULL, NULL, NULL, 0, 0),
(682, NULL, NULL, NULL, 3, 'other', 'Methanobactin', '', NULL, 'C45H58N10O16S5', 1154.2635793174, NULL, NULL, NULL, NULL, NULL, 0, 0),
(683, NULL, NULL, NULL, 3, 'other', 'Trivanchrobactin', '', NULL, 'C48H65N15O19', 1155.4581149844, NULL, NULL, 7, '120', NULL, 0, 0),
(684, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Pfl 13525', '', NULL, 'C49H72N14O19', 1160.5098162039, NULL, NULL, NULL, NULL, NULL, 0, 0),
(685, NULL, NULL, NULL, 3, 'other', 'Pseudobactin PA225-II', '', NULL, 'C46H63N13O23', 1165.4159753982, NULL, NULL, NULL, NULL, NULL, 0, 0),
(686, NULL, NULL, NULL, 3, 'other', 'Pseudobactin P39167-I', '', NULL, 'C46H65N13O23', 1167.4316254624, NULL, NULL, NULL, NULL, NULL, 0, 0),
(687, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Pa6 R (amide)', '', NULL, 'C48H68N16O19', 1172.4846640859, NULL, NULL, NULL, NULL, NULL, 0, 0),
(688, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Pa6 R', '', NULL, 'C48H67N15O20', 1173.4686796707, NULL, NULL, NULL, NULL, NULL, 0, 0),
(689, NULL, NULL, NULL, 3, 'other', 'Pyoverdin G173', '', NULL, 'C49H70N14O20', 1174.4890807618, NULL, NULL, NULL, NULL, NULL, 0, 0),
(690, NULL, NULL, NULL, 3, 'other', 'Streptobactin', '', NULL, 'C51H69N15O18', 1179.4945004907, NULL, NULL, 7, '266', NULL, 0, 0),
(691, NULL, NULL, NULL, 3, 'other', 'Pseudobactin PA225-I', '', NULL, 'C46H65N13O24', 1183.4265400845, NULL, NULL, NULL, NULL, NULL, 0, 0),
(692, NULL, NULL, NULL, 3, 'other', 'Ferrocin A', '', NULL, 'C51H85N13O19', 1183.608467616, NULL, NULL, 7, '171', NULL, 0, 0),
(693, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Pfl W (amide)', '', NULL, 'C48H66N16O20', 1186.4639286438, NULL, NULL, NULL, NULL, NULL, 0, 0),
(694, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Pfl W', '', NULL, 'C48H65N15O21', 1187.4479442286, NULL, NULL, NULL, NULL, NULL, 0, 0),
(695, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 96-312 (amide)', '', NULL, 'C50H75N15O19', 1189.5363653054, NULL, NULL, NULL, NULL, NULL, 0, 0),
(696, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 96-312', '', NULL, 'C50H74N14O20', 1190.5203808902, NULL, NULL, NULL, NULL, NULL, 0, 0),
(697, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 90-33', '', NULL, 'C49H71N13O22', 1193.4836610329, NULL, NULL, NULL, NULL, NULL, 0, 0),
(698, NULL, NULL, NULL, 3, 'other', 'Tribenarthin', '', NULL, 'C51H71N15O19', 1197.505065177, NULL, NULL, 7, '265', NULL, 0, 0),
(699, NULL, NULL, NULL, 3, 'other', 'Ferrocin C', '', NULL, 'C52H87N13O19', 1197.6241176802, NULL, NULL, NULL, NULL, NULL, 0, 0),
(700, NULL, NULL, NULL, 3, 'other', 'Ferrocin D', '', NULL, 'C52H87N13O19', 1197.6241176802, NULL, NULL, NULL, NULL, NULL, 0, 0),
(701, NULL, NULL, NULL, 3, 'other', 'Ferrocin B', '', NULL, 'C51H85N13O20', 1199.6033822381, NULL, NULL, 7, '172', NULL, 0, 0),
(702, NULL, NULL, NULL, 3, 'other', 'Pyoverdin D47', '', NULL, 'C51H75N15O20', 1217.5312799275, NULL, NULL, NULL, NULL, NULL, 0, 0),
(703, NULL, NULL, NULL, 3, 'other', 'Pyoverdin D47 (amide)', '', NULL, 'C51H75N15O20', 1217.5312799275, NULL, NULL, NULL, NULL, NULL, 0, 0),
(704, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 90-51', '', NULL, 'C51H74N14O21', 1218.5152955123, NULL, NULL, NULL, NULL, NULL, 0, 0),
(705, NULL, NULL, NULL, 3, 'other', 'Pyoverdin D-TR133 (amide)', '', NULL, 'C52H75N15O20', 1229.5312799275, NULL, NULL, NULL, NULL, NULL, 0, 0),
(706, NULL, NULL, NULL, 3, 'other', 'Pyoverdin D-TR133', '', NULL, 'C52H74N14O21', 1230.5152955123, NULL, NULL, NULL, NULL, NULL, 0, 0),
(707, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 96-188', '', NULL, 'C52H76N14O21', 1232.5309455765, NULL, NULL, NULL, NULL, NULL, 0, 0),
(708, NULL, NULL, NULL, 3, 'other', 'Pyoverdin D-TR133 (gly, amide)', '', NULL, 'C53H77N15O20', 1243.5469299917, NULL, NULL, NULL, NULL, NULL, 0, 0),
(709, NULL, NULL, NULL, 3, 'other', 'Pyoverdin D-TR133 (gly)', '', NULL, 'C53H76N14O21', 1244.5309455765, NULL, NULL, NULL, NULL, NULL, 0, 0),
(710, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 90-51 (amide)', '', NULL, 'C51H75N15O22', 1249.5211091717, NULL, NULL, NULL, NULL, NULL, 0, 0),
(711, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 96-318', '', NULL, 'C52H77N15O22', 1263.5367592359, NULL, NULL, NULL, NULL, NULL, 0, 0),
(712, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Pau (amide)', '', NULL, 'C52H76N16O22', 1276.532008209, NULL, NULL, NULL, NULL, NULL, 0, 0),
(713, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Pau', '', NULL, 'C52H75N15O23', 1277.5160237938, NULL, NULL, NULL, NULL, NULL, 0, 0),
(714, NULL, NULL, NULL, 3, 'other', 'Pyverdin 96-318 (amide)', '', NULL, 'C52H78N16O22', 1278.5476582732, NULL, NULL, NULL, NULL, NULL, 0, 0),
(715, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Pfl 1,3', '', NULL, 'C53H75N17O21', 1285.53234256, NULL, NULL, NULL, NULL, NULL, 0, 0),
(716, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Pfl \'\'ng\'\' (amide)', '', NULL, 'C55H83N17O19', 1285.6051135726, NULL, NULL, NULL, NULL, NULL, 0, 0),
(717, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Pfl \'\'ng\'\'', '', NULL, 'C55H82N16O20', 1286.5891291574, NULL, NULL, NULL, NULL, NULL, 0, 0),
(718, NULL, NULL, NULL, 3, 'other', 'Pyoverdin CHAO (amide)', '', NULL, 'C55H82N16O20', 1286.5891291574, NULL, NULL, NULL, NULL, NULL, 0, 0),
(719, NULL, NULL, NULL, 3, 'other', 'Pyoverdin CHAO', '', NULL, 'C55H81N15O21', 1287.5731447422, NULL, NULL, NULL, NULL, NULL, 0, 0),
(720, NULL, NULL, NULL, 3, 'other', 'Pyoverdin CFBP 2392', '', NULL, 'C55H82N16O22', 1318.5789584016, NULL, NULL, NULL, NULL, NULL, 0, 0),
(721, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Pa (E; PaO1)', '', NULL, 'C55H84N18O21', 1332.6058418541, NULL, NULL, NULL, NULL, NULL, 0, 0),
(722, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Pa A (Pyoverdin D)', '', NULL, 'C55H83N17O22', 1333.5898574389, NULL, NULL, NULL, NULL, NULL, 0, 0),
(723, NULL, NULL, NULL, 3, 'other', 'Pyoverdin ATCC 12634 (amide)', '', NULL, 'C54H77N15O25', 1335.5215031022, NULL, NULL, NULL, NULL, NULL, 0, 0),
(724, NULL, NULL, NULL, 3, 'other', 'Pyoverdin ATCC 12633', '', NULL, 'C54H76N14O26', 1336.505518687, NULL, NULL, NULL, NULL, NULL, 0, 0),
(725, NULL, NULL, NULL, 3, 'other', 'Pyoverdin CFBP 2461', '', NULL, 'C56H84N16O23', 1348.5895230879, NULL, NULL, NULL, NULL, NULL, 0, 0),
(726, NULL, NULL, NULL, 3, 'other', 'Pyoverdin L1', '', NULL, 'C56H83N15O24', 1349.5735386727, NULL, NULL, NULL, NULL, NULL, 0, 0),
(727, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Pa B (Pyoverdin C)', '', NULL, 'C56H83N17O23', 1361.584772061, NULL, NULL, NULL, NULL, NULL, 0, 0),
(728, NULL, NULL, NULL, 3, 'other', 'Azotobactin 87 II', '', NULL, 'C55H78N14O27', 1366.5160833733, NULL, NULL, NULL, NULL, NULL, 0, 0),
(729, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Put C 2B (amide)', '', NULL, 'C54H79N15O27', 1369.5269824106, NULL, NULL, NULL, NULL, NULL, 0, 0),
(730, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Put C 3B', '', NULL, 'C54H78N14O28', 1370.5109979954, NULL, NULL, NULL, NULL, NULL, 0, 0),
(731, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 51W (amide)', '', NULL, 'C56H82N18O23', 1374.5800210341, NULL, NULL, NULL, NULL, NULL, 0, 0),
(732, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 18,1', '', NULL, 'C57H84N17O23', 1374.5925970931, NULL, NULL, NULL, NULL, NULL, 0, 0),
(733, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 51W', '', NULL, 'C56H81N17O24', 1375.5640366189, NULL, NULL, NULL, NULL, NULL, 0, 0),
(734, NULL, NULL, NULL, 3, 'other', 'Azotobactin 87 I', '', NULL, 'C55H80N14O28', 1384.5266480596, NULL, NULL, NULL, NULL, NULL, 0, 0),
(735, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Put C 2A (amide)', '', NULL, 'C54H79N15O28', 1385.5218970327, NULL, NULL, NULL, NULL, NULL, 0, 0),
(736, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Put C 3A', '', NULL, 'C54H78N14O29', 1386.5059126175, NULL, NULL, NULL, NULL, NULL, 0, 0),
(737, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 95-275', '', NULL, 'C57H84N16O25', 1392.5793523321, NULL, NULL, NULL, NULL, NULL, 0, 0),
(738, NULL, NULL, NULL, 3, 'other', 'Azotobactin', '', NULL, 'C55H77N16O27', 1393.5144063516, NULL, NULL, NULL, NULL, NULL, 0, 0),
(739, NULL, NULL, NULL, 3, 'other', 'Pyoverdin GM-II', '', NULL, 'C59H87N17O23', 1401.6160721894, NULL, NULL, NULL, NULL, NULL, 0, 0),
(740, NULL, NULL, NULL, 3, 'other', 'Azotobactin D', '', NULL, 'C55H79N16O28', 1411.5249710379, NULL, NULL, NULL, NULL, NULL, 0, 0),
(741, NULL, NULL, NULL, 3, 'other', 'Pyoverdin GM-I', '', NULL, 'C59H86N18O23', 1414.6113211625, NULL, NULL, NULL, NULL, NULL, 0, 0),
(742, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Tol', '', NULL, 'C58H89N17O25', 1423.6215514978, NULL, NULL, NULL, NULL, NULL, 0, 0),
(743, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 90-316, G168', '', NULL, 'C58H88N16O26', 1424.6055670826, NULL, NULL, NULL, NULL, NULL, 0, 0),
(744, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Lille 25 (amide)', '', NULL, 'C59H90N18O24', 1434.637535913, NULL, NULL, NULL, NULL, NULL, 0, 0),
(745, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Lille 25', '', NULL, 'C59H89N17O25', 1435.6215514978, NULL, NULL, NULL, NULL, NULL, 0, 0),
(746, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 90-44', '', NULL, 'C58H87N17O26', 1437.6008160557, NULL, NULL, NULL, NULL, NULL, 0, 0),
(747, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Pfl 12 IIA (amide)', '', NULL, 'C62H93N19O26', 1519.6539142587, NULL, NULL, NULL, NULL, NULL, 0, 0),
(748, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Pfl 12 IA', '', NULL, 'C62H92N18O27', 1520.6379298435, NULL, NULL, NULL, NULL, NULL, 0, 0),
(749, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Pfl 12 IB', '', NULL, 'C63H92N18O27', 1532.6379298435, NULL, NULL, NULL, NULL, NULL, 0, 0),
(750, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Pf 1547', '', NULL, 'C64H97N19O26', 1547.6852143871, NULL, NULL, NULL, NULL, NULL, 0, 0),
(751, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Pfl 12 IIB', '', NULL, 'C63H95N19O27', 1549.664478945, NULL, NULL, NULL, NULL, NULL, 0, 0),
(752, NULL, NULL, NULL, 3, 'other', 'Pseurotin F2 2', '', NULL, 'C21H23NO8', 417.1423667203, NULL, NULL, NULL, NULL, NULL, 0, 0),
(753, NULL, NULL, NULL, 3, 'other', 'Fusarin X 2', '', NULL, 'C23H29NO8', 447.1893169129, NULL, NULL, NULL, NULL, NULL, 0, 0),
(754, NULL, NULL, NULL, 3, 'other', 'Tryptoquivaline D 2', '', NULL, 'C28H28N4O7', 532.1957992743, NULL, NULL, NULL, NULL, NULL, 0, 0),
(755, NULL, NULL, NULL, 3, 'other', 'Corynebactin 2', '', NULL, 'C36H36N6O18', 840.2086083846, NULL, NULL, 7, '199', NULL, 0, 0),
(756, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Ps 6,10 2', '', NULL, 'C47H71N13O18', 1105.5040025445, NULL, NULL, NULL, NULL, NULL, 0, 0),
(757, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 11370 2', '', NULL, 'C45H62N12O22', 1122.4101617388, NULL, NULL, NULL, NULL, NULL, 0, 0),
(758, NULL, NULL, NULL, 3, 'other', 'Pyoverdin G173 2', '', NULL, 'C49H69N13O21', 1175.4730963466, NULL, NULL, NULL, NULL, NULL, 0, 0),
(759, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Pfl W (amide) 2', '', NULL, 'C48H66N16O21', 1202.4588432659, NULL, NULL, NULL, NULL, NULL, 0, 0),
(760, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Pfl W 2', '', NULL, 'C48H65N15O22', 1203.4428588507, NULL, NULL, NULL, NULL, NULL, 0, 0),
(761, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 96-312 2', '', NULL, 'C51H74N14O21', 1218.5152955123, NULL, NULL, NULL, NULL, NULL, 0, 0),
(762, NULL, NULL, NULL, 3, 'other', 'Pyoverdin D47 2', '', NULL, 'C51H74N14O21', 1218.5152955123, NULL, NULL, NULL, NULL, NULL, 0, 0),
(763, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 96-188 2', '', NULL, 'C53H76N14O22', 1260.5258601986, NULL, NULL, NULL, NULL, NULL, 0, 0),
(764, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 96-188 3', '', NULL, 'C53H79N15O21', 1261.557494678, NULL, NULL, NULL, NULL, NULL, 0, 0),
(765, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 96-318 2', '', NULL, 'C53H77N15O23', 1291.531673858, NULL, NULL, NULL, NULL, NULL, 0, 0),
(766, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Pfl \'\'ng\'\' 2', '', NULL, 'C56H82N16O21', 1314.5840437795, NULL, NULL, NULL, NULL, NULL, 0, 0),
(767, NULL, NULL, NULL, 3, 'other', 'Pyoverdin ATCC 12633 2', '', NULL, 'C54H77N15O26', 1351.5164177243, NULL, NULL, NULL, NULL, NULL, 0, 0),
(768, NULL, NULL, NULL, 3, 'other', 'Pyoverdin CFBP 2461 2', '', NULL, 'C56H84N16O24', 1364.58443771, NULL, NULL, NULL, NULL, NULL, 0, 0),
(769, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 18,1 2', '', NULL, 'C57H85N17O24', 1391.5953367473, NULL, NULL, NULL, NULL, NULL, 0, 0),
(770, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 18,1 3', '', NULL, 'C58H88N18O23', 1404.6269712267, NULL, NULL, NULL, NULL, NULL, 0, 0),
(771, NULL, NULL, NULL, 3, 'other', 'Pyoverdin 18,1 4', '', NULL, 'C58H87N17O25', 1421.6059014336, NULL, NULL, NULL, NULL, NULL, 0, 0),
(772, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Tol 2', '', NULL, 'C58H88N16O26', 1424.6055670826, NULL, NULL, NULL, NULL, NULL, 0, 0),
(773, NULL, NULL, NULL, 3, 'other', 'Pyoverdin Tol 3', '', NULL, 'C59H88N16O27', 1452.6004817047, NULL, NULL, NULL, NULL, NULL, 0, 0),
(774, NULL, NULL, NULL, 1, 'cyclic', 'beauverolide I (letter)', '[C11:0-OH(3)]-[Phe]-[Ala]-[Leu]', '[0]-[1]-[2]-[3]', 'C29H45N3O5', 515.335922, 'CCCCCCCCC1CC(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)O1', 'CCCCCCCCC1CC(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)O1', 6, '10.1002/jms.213', '[27,22,35,11]', 4, 4),
(775, NULL, NULL, NULL, 1, 'cyclic', 'beauverolide II', '[C10:0-Me(4)-OH(3)]-[Phe]-[Ala]-[Leu]', '[0]-[1]-[2]-[3]', 'C29H45N3O5', 515.335922, 'CCCCCCC(C)C1CC(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)O1', 'CCCCCCC(C)C1CC(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)O1', 0, '139583582', '[22,27,35,11]', 4, 4),
(776, NULL, NULL, NULL, 1, 'cyclic', 'beauverolide La', '[C10:0-Me(4)-OH(3)]-[Phe]-[Ala]-[aIle]', '[0]-[1]-[2]-[3]', 'C29H45N3O5', 515.335922, 'CCCCCCC(C)C1CC(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(C(C)CC)C(=O)O1', 'CCCCCCC(C)C1CC(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(C(C)CC)C(=O)O1', 0, '85130020', '[11,22,27,35]', 4, 4),
(777, NULL, NULL, NULL, 1, 'cyclic', 'beauverolide Ka', '[C10:0-Me(4)-OH(3)]-[Trp]-[Phe]-[aIle]', '[0]-[1]-[2]-[3]', 'C37H50N4O5', 630.378121, 'CCCCCCC(C)C1CC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(C(C)CC)C(=O)O1', 'CCCCCCC(C)C1CC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(C(C)CC)C(=O)O1', 6, '10.1002/jms.213', '[11,44,25,36]', 4, 4),
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(838, NULL, NULL, NULL, 1, 'cyclic-polyketide', 'desferrioxamine T8', '[Hpa]-[Suc]-[Hpa]-[Suc]-[Hpa]-[Suc]-[Hpd]-[Suc]', '\\([0]\\([1]-[2]-[3]-[4]-[5]-[6]-[7]\\)', 'C30H52N8O12', 716.370469, 'ON1CCCCCNC(=O)CCC(=O)N(O)CCCNC(=O)CCC(=O)N(O)CCCNC(=O)CCC(=O)N(O)CCCNC(=O)CCC1=O', 'ON1CCCCCNC(=O)CCC(=O)N(O)CCCNC(=O)CCC(=O)N(O)CCCNC(=O)CCC(=O)N(O)CCCNC(=O)CCC1=O', 6, '10.1039/b906679a', '[7,13,19,25,31,37,43,49]', 3, 8),
(839, NULL, NULL, NULL, 1, 'cyclic', 'destruxin B', '[Ile]-[NMe-Val]-[NMe-Ala]-[bAla]-[C5:0-Me(4)-OH(2)]-[Pro]', '[0]-[1]-[2]-[3]-[4]-[5]', 'C30H51N5O7', 593.378849, 'CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O', 'CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O', 0, '428373', '[5,12,20,25,31,39]', 6, 6),
(840, NULL, NULL, NULL, 1, 'cyclic', 'destruxin A', '[Ile]-[NMe-Val]-[NMe-Ala]-[bAla]-[OH-Eno]-[Pro]', '[0]-[1]-[2]-[3]-[4]-[5]', 'C29H47N5O7', 577.347549, 'CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC=C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O', 'CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC=C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O', 0, '122810', '[5,12,19,24,30,38]', 6, 6),
(842, NULL, NULL, NULL, 1, 'cyclic', 'roseotoxin A (MeLxx)', '[Ile]-[NMe-Lxx]-[NMe-Ala]-[bAla]-[C5:0-Me(4)-OH(2)]-[3Me-Pro]', '[0]-[1]-[2]-[3]-[4]-[5]', 'C32H55N5O7', 621.410149, 'CCC(C)C1NC(=O)C2C(C)CCN2C(=O)C(CC(C)C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(CC(C)C)N(C)C1=O', 'CCC(C)C1NC(=O)C2C(C)CCN2C(=O)C(CC(C)C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(CC(C)C)N(C)C1=O', 6, '10.1255/ejms.531', '[5,13,21,26,32,41]', 6, 6),
(843, NULL, NULL, NULL, 1, 'cyclic', 'roseotoxin A (Val)', '[Ile]-[Val]-[NMe-Ala]-[bAla]-[C5:0-Me(4)-OH(2)]-[3Me-Pro]', '[0]-[1]-[2]-[3]-[4]-[5]', 'C30H51N5O7', 593.378849, 'CCC(C)C1NC(=O)C2C(C)CCN2C(=O)C(CC(C)C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(NC1=O)C(C)C', 'CCC(C)C1NC(=O)C2C(C)CCN2C(=O)C(CC(C)C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(NC1=O)C(C)C', 6, '10.1255/ejms.531', '[5,13,21,26,32,36]', 6, 6),
(844, NULL, NULL, NULL, 1, 'cyclic', 'roseotoxin B (MeLxx)', '[Ile]-[NMe-Lxx]-[NMe-Ala]-[bAla]-[OH-Eno]-[3Me-Pro]', '[0]-[1]-[2]-[3]-[4]-[5]', 'C31H51N5O7', 605.378849, 'CCC(C)C1NC(=O)C2C(C)CCN2C(=O)C(CC=C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(CC(C)C)N(C)C1=O', 'CCC(C)C1NC(=O)C2C(C)CCN2C(=O)C(CC=C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(CC(C)C)N(C)C1=O', 6, '10.1255/ejms.531', '[5,13,20,25,31,40]', 6, 6),
(845, NULL, NULL, NULL, 1, 'cyclic', 'roseotoxin C', '[Ile]-[NMe-Val]-[NMe-Ala]-[bAla]-[C5:0-Me(4)-OH(2.5)]-[3Me-Pro]', '[0]-[1]-[2]-[3]-[4]-[5]', 'C31H53N5O8', 623.389414, 'CCC(C)C1NC(=O)C2C(C)CCN2C(=O)C(CC(C)CO)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O', 'CCC(C)C1NC(=O)C2C(C)CCN2C(=O)C(CC(C)CO)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O', 6, '10.1255/ejms.531', '[5,13,22,27,33,41]', 6, 6),
(846, NULL, NULL, NULL, 1, 'cyclic', 'cyclosporin K', '[Ala]-[NMe-Leu]-[NMe-Leu]-[NMe-Val]-[dNMe-Bmt]-[Val]-[NMe-Gly]-[NMe-Leu]-[Val]-[NMe-Leu]-[Ala]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]', 'C63H113N11O11', 1199.862104, 'CC=CCC(C)CC1N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C(=O)C(NC1=O)C(C)C)C(C)C', 'CC=CCC(C)CC1N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C(=O)C(NC1=O)C(C)C)C(C)C', 6, '10.1021/cr9600262', '[9,17,26,35,40,45,54,58,67,72,76]', 6, 11),
(847, NULL, NULL, NULL, 1, 'cyclic', 'cyclosporin M', '[Ala]-[NMe-Leu]-[NMe-Leu]-[NMe-Val]-[NMe-Bmt]-[Nva]-[NMe-Gly]-[NMe-Leu]-[Nva]-[NMe-Leu]-[Ala]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]', 'C63H113N11O12', 1215.8570181497, 'CCCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(CCC)NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O', 'CCCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(CCC)NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O', 1, '30809554', '[4,17,25,34,43,48,53,62,69,78,83]', 6, 11);
INSERT INTO `msb_sequence` (`id`, `n_modification_id`, `c_modification_id`, `b_modification_id`, `container_id`, `sequence_type`, `sequence_name`, `sequence`, `sequence_original`, `sequence_formula`, `sequence_mass`, `sequence_smiles`, `usmiles`, `source`, `identifier`, `decays`, `unique_block_count`, `block_count`) VALUES
(848, NULL, NULL, NULL, 1, 'cyclic', 'cyclosporin N', '[Ala]-[NMe-Leu]-[Leu]-[NMe-Val]-[NMe-Bmt]-[Nva]-[NMe-Gly]-[NMe-Leu]-[Val]-[NMe-Leu]-[Ala]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]', 'C62H111N11O12', 1201.841368, 'CCCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C', 'CCCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C', 1, '30809558', '[4,17,25,33,42,47,52,61,65,74,79]', 8, 11),
(849, NULL, NULL, NULL, 1, 'cyclic', 'cyclosporin O', '[Ala]-[NMe-Leu]-[NMe-Leu]-[NMe-Val]-[NMe-Leu]-[Nva]-[NMe-Gly]-[NMe-Leu]-[Val]-[NMe-Leu]-[Ala]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]', 'C60H109N11O11', 1159.8308033992, 'CCCC1NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C', 'CCCC1NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C', 1, '9345856', '[4,13,21,30,39,44,49,58,62,71,76]', 6, 11),
(850, NULL, NULL, NULL, 1, 'cyclic', 'cyclosporin P', '[Ala]-[NMe-Leu]-[NMe-Leu]-[NMe-Val]-[Bmt]-[Thr]-[NMe-Gly]-[NMe-Leu]-[Val]-[NMe-Leu]-[Ala]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]', 'C61H109N11O13', 1203.8206326434, 'CC=CCC(C)C(O)C1NC(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C(=O)C(NC1=O)C(C)O)C(C)C', 'CC=CCC(C)C(O)C1NC(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C(=O)C(NC1=O)C(C)O)C(C)C', 1, '30845312', '[9,17,26,35,40,45,54,58,67,72,76]', 7, 11),
(851, NULL, NULL, NULL, 1, 'cyclic', 'cyclosporin Q', '[Ala]-[NMe-Leu]-[NMe-Leu]-[NMe-Val]-[NMe-Bmt]-[Abu]-[NMe-Gly]-[Val]-[Val]-[NMe-Leu]-[Ala]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]', 'C60H107N11O12', 1173.8100679571, 'CCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(NC(=O)CN(C)C1=O)C(C)C)C(C)C', 'CCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(NC(=O)CN(C)C1=O)C(C)C)C(C)C', 1, '8255511', '[3,16,24,33,42,47,52,61,65,69,74]', 7, 11),
(852, NULL, NULL, NULL, 1, 'cyclic', 'cyclosporin R', '[Ala]-[NMe-Leu]-[Leu]-[NMe-Val]-[NMe-Bmt]-[Abu]-[NMe-Gly]-[NMe-Leu]-[Val]-[Leu]-[Ala]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]', 'C60H107N11O12', 1173.8100679571, 'CCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C', 'CCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C', 1, '30809643', '[3,16,24,32,41,46,51,59,63,72,77]', 8, 11),
(853, NULL, NULL, NULL, 1, 'cyclic', 'cyclosporin S', '[Ala]-[NMe-Leu]-[NMe-Leu]-[NMe-Val]-[NMe-Bmt]-[Thr]-[NMe-Gly]-[Val]-[Val]-[NMe-Leu]-[Ala]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]', 'C60H107N11O13', 1189.8049825792, 'CC=CCC(C)C(O)C1N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(NC(=O)CN(C)C(=O)C(NC1=O)C(C)O)C(C)C)C(C)C', 'CC=CCC(C)C(O)C1N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(NC(=O)CN(C)C(=O)C(NC1=O)C(C)O)C(C)C)C(C)C', 1, '30809658', '[10,18,27,36,41,46,55,59,63,68,72]', 7, 11),
(854, NULL, NULL, NULL, 1, 'cyclic', 'cyclosporin V', '[Ala]-[NMe-Leu]-[NMe-Leu]-[NMe-Val]-[NMe-Bmt]-[Abu]-[NMe-Gly]-[NMe-Leu]-[Val]-[NMe-Leu]-[Abu]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]', 'C63H113N11O12', 1215.8570181497, 'CCC1NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C(=O)C(CC)NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC1=O)C(C)C', 'CCC1NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C(=O)C(CC)NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC1=O)C(C)C', 1, '9993421', '[3,12,16,25,30,36,49,57,66,75,80]', 7, 11),
(855, NULL, NULL, NULL, 1, 'cyclic', 'cyclosporin W', '[Ala]-[NMe-Leu]-[NMe-Leu]-[Val]-[NMe-Bmt]-[Thr]-[NMe-Gly]-[NMe-Leu]-[Val]-[NMe-Leu]-[Ala]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]', 'C61H109N11O13', 1203.8206326434, 'CC=CCC(C)C(O)C1N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C(=O)C(NC1=O)C(C)O)C(C)C)C(C)C', 'CC=CCC(C)C(O)C1N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C(=O)C(NC1=O)C(C)O)C(C)C)C(C)C', 1, '30809644', '[10,14,23,32,37,42,51,55,64,69,73]', 6, 11),
(856, NULL, NULL, NULL, 1, 'cyclic', 'cyclosporin X', '[Ala]-[Leu]-[NMe-Leu]-[NMe-Val]-[NMe-Bmt]-[Nva]-[NMe-Gly]-[NMe-Leu]-[Val]-[NMe-Leu]-[Ala]', '[0]-[1]-[2]-[3]-[4]-[5]-[6]-[7]-[8]-[9]-[10]', 'C62H111N11O12', 1201.8413680855, 'CCCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C', 'CCCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C', 1, '30809567', '[4,17,25,34,42,47,52,61,65,74,79]', 8, 11),
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