-- DBMS: bigquery
CREATE TABLE `bigquery-public-data.ebi_chembl.compound_structures_26`
(
  molregno STRING,
  molfile STRING,
  standard_inchi STRING,
  standard_inchi_key STRING,
  canonical_smiles STRING
);

INSERT INTO `bigquery-public-data.ebi_chembl.compound_structures_26` (molregno, molfile, standard_inchi, standard_inchi_key, canonical_smiles) VALUES ('427', '\n     RDKit          2D\n\n 21 24  0  0  0  0  0  0  0  0999 V2000\n    2.7542   -4.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4792   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4792   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0417   -3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0417   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7500   -5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2292   -2.2292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3042   -3.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0292   -5.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1917   -4.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3292   -2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3292   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3250   -5.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0292   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5667   -2.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8917   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6167   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6167   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3042   -6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6042   -5.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5917   -6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0\n  3  1  1  0\n  4  5  1  0\n  5  1  1  0\n  6  1  1  0\n  7  2  1  0\n  8  2  1  0\n  9  6  1  0\n 10  3  2  0\n 11  4  2  0\n 12  5  2  0\n 13  9  1  0\n 14  9  1  0\n 15  8  1  0\n 16  7  1  0\n 17 18  2  0\n 18 12  1  0\n 19 14  1  0\n 20 13  1  0\n 21 19  1  0\n  2  4  1  0\n 17 11  1  0\n 16 15  1  0\n 21 20  1  0\nM  END', 'InChI=1S/C16H20N2OS2/c19-15-16(20-10-11-21-16)13-6-2-3-7-14(13)18(15)12-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-12H2', 'HGFPADZQJSKMKO-UHFFFAOYSA-N', 'O=C1N(CN2CCCCC2)c2ccccc2C12SCCS2'), ('521', '\n     RDKit          2D\n\n 36 39  0  0  0  0  0  0  0  0999 V2000\n   -0.1208   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8208   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1208   -2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5917   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4167   -0.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8208   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5792   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6042   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3042   -2.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8458   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1458   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0292   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8458   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5792   -4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0292   -1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3292   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1458   -5.4667    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5458   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7417   -0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7042   -0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1667   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4917    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0958   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5333   -0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4417   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9917   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5458   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1542   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8667   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5792   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2917   -0.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2917    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7167   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5208    0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0833    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7958    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  2  0\n  3  1  1  0\n  4  1  1  0\n  5 20  1  0\n  6  2  1  0\n  7  3  1  0\n  8  4  1  0\n  9  4  2  0\n 10  3  2  0\n 11 13  2  0\n 12 15  2  0\n 13 10  1  0\n 14  7  2  0\n 15  9  1  0\n 16  8  2  0\n 17 11  1  0\n 18  2  1  0\n 19 12  1  0\n 20 26  1  0\n 21  5  1  0\n 22  5  1  0\n 23  6  1  0\n 24  6  2  0\n 25 19  1  0\n 26 31  1  0\n 27 18  1  0\n 28 25  1  0\n 29 28  1  0\n 30 29  1  0\n 31 30  1  0\n 32 22  1  0\n 33 21  1  0\n 34 24  1  0\n 35 23  2  0\n 36 34  2  0\n 12 16  1  0\n 14 11  1  0\n 36 35  1  0\n 33 32  1  0\nM  END', 'InChI=1S/C33H40INO/c1-2-32(27-13-7-6-8-14-27)33(28-15-19-30(34)20-16-28)29-17-21-31(22-18-29)36-26-12-5-3-4-9-23-35-24-10-11-25-35/h6-8,13-22H,2-5,9-12,23-26H2,1H3/b33-32-', 'XCOUYJYBUSTRSB-KARKAFJISA-N', 'CC/C(=C(\c1ccc(I)cc1)c1ccc(OCCCCCCCN2CCCC2)cc1)c1ccccc1'), ('1504', '\n     RDKit          2D\n\n 26 29  0  0  0  0  0  0  0  0999 V2000\n    3.9500   -4.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2000   -4.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8625   -3.8292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6667   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3792   -4.6375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0292   -4.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8542   -4.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6500   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0542   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2625   -5.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2667   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6667   -5.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7917   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7917   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6125   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6167   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8542   -3.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8292   -4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6375   -2.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0917   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0917   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2667   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5125   -4.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0917   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4167   -3.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8167   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  2  0\n  3  1  1  0\n  4  1  1  0\n  5  4  1  0\n  6 15  1  0\n  7  6  1  0\n  8  2  1  0\n  9  3  1  0\n 10  7  2  0\n 11  7  1  0\n 12  4  2  0\n 13  5  1  0\n 14  5  1  0\n 15 14  1  0\n 16 13  1  0\n 17 11  1  0\n 18  8  1  0\n 19  9  1  0\n 20 10  1  0\n 21 11  2  0\n 22 17  1  0\n 23 21  1  0\n 24 22  1  0\n 25 18  2  0\n 26 19  2  0\n  9  8  2  0\n  6 16  1  0\n 25 26  1  0\n 23 20  2  0\nM  END', 'InChI=1S/C19H21N5OS/c1-2-20-15-7-5-9-21-17(15)23-10-12-24(13-11-23)19(25)18-22-14-6-3-4-8-16(14)26-18/h3-9,20H,2,10-13H2,1H3', 'AJXBQEFFBCWFEQ-UHFFFAOYSA-N', 'CCNc1cccnc1N1CCN(C(=O)c2nc3ccccc3s2)CC1'), ('1919', '\n     RDKit          2D\n\n 26 29  0  0  0  0  0  0  0  0999 V2000\n    7.0167   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4417   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3042   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7292   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1625   -1.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0125   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4542   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5792   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5875   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8792   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8792   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7417   -2.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8667    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8667   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1542   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2917   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1542   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4375    0.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7250   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5917   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5917    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0042    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5792    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2917   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3042   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3042   -0.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  4  1  0\n  3  1  1  0\n  4  1  1  0\n  5  2  1  0\n  6  1  2  0\n  7  2  2  0\n  8  6  1  0\n  9  3  1  0\n 10  5  1  0\n 11  7  1  0\n 12  4  2  0\n 13  8  2  0\n 14  9  2  0\n 15 13  1  0\n 16 22  1  0\n 17 14  1  0\n 18 15  1  0\n 19 18  1  0\n 20 10  2  0\n 21 11  2  0\n 22 19  1  0\n 23 16  1  0\n 24 16  1  0\n 25 21  1  0\n 26 20  1  0\n  9  8  1  0\n 10 11  1  0\n 17 15  2  0\n 26 25  2  0\nM  END', 'InChI=1S/C21H21N3O2/c1-24(2)9-10-26-16-7-8-18-15(11-16)13-20(23-18)21(25)19-12-14-5-3-4-6-17(14)22-19/h3-8,11-13,22-23H,9-10H2,1-2H3', 'MWOGGCAYFLMOGW-UHFFFAOYSA-N', 'CN(C)CCOc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1'), ('3364', '\n     RDKit          2D\n\n 12 13  0  0  0  0  0  0  0  0999 V2000\n    3.9667   -1.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9667   -2.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1417   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1417   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5542   -0.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5542   -2.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3542   -0.6542    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0\n    2.4292   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5542   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4292   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7167   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7167   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  2  0\n  3  1  1  0\n  4  3  1  0\n  5  1  1  0\n  6  2  1  0\n  7  3  1  0\n  8  3  1  0\n  9  4  1  0\n 10  4  1  0\n 11  8  1  0\n 12 11  1  0\n  2  4  1  0\n 12 10  1  0\nM  CHG  4   1   1   2   1   5  -1   6  -1\nM  END', 'InChI=1S/C7H11BrN2O2/c1-6-4-2-3-5-7(6,8)10(12)9(6)11/h2-5H2,1H3', 'MQONQKXBMDYNHE-UHFFFAOYSA-N', 'CC12CCCCC1(Br)[N+]([O-])=[N+]2[O-]');