-- DBMS: bigquery
CREATE TABLE `bigquery-public-data.ebi_chembl.compound_structures_28`
(
  molregno STRING,
  molfile STRING,
  standard_inchi STRING,
  standard_inchi_key STRING,
  canonical_smiles STRING
);

INSERT INTO `bigquery-public-data.ebi_chembl.compound_structures_28` (molregno, molfile, standard_inchi, standard_inchi_key, canonical_smiles) VALUES ('633', '\n     RDKit          2D\n\n 31 34  0  0  0  0  0  0  0  0999 V2000\n    3.8125   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8167   -7.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3792   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1042   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0917   -6.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3792   -6.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5250   -6.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6667   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6667   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6625   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9542   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9542   -6.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6542   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9500   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2375   -6.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5167   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3750   -5.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1042   -8.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2292   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9500   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9417   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2417   -7.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2417   -6.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9417   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2417   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2417   -8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6542   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2292   -2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2250   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6542   -1.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9375   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0\n  3  6  1  0\n  4  2  2  0\n  5  1  2  0\n  6  5  1  0\n  7  1  1  0\n  8  3  2  0\n  9  6  2  0\n 10 14  1  0\n 11 12  2  0\n 12  9  1  0\n 13 10  1  0\n 14 19  1  0\n 15  7  1  0\n 16  7  1  0\n 17 10  2  0\n 18  4  1  0\n 19 16  1  0\n 20 15  1  0\n 21 13  1  0\n 22 11  1  0\n 23 12  1  0\n 24 21  1  0\n 25 23  1  0\n 26 22  1  0\n 27 24  2  0\n 28 24  1  0\n 29 28  2  0\n 30 27  1  0\n 31 29  1  0\n  4  3  1  0\n 14 20  1  0\n 11  8  1  0\n 31 30  2  0\nM  END', 'InChI=1S/C23H27N5O3/c1-30-19-12-17-18(13-20(19)31-2)26-23(27-21(17)24)28-10-8-16(9-11-28)22(29)25-14-15-6-4-3-5-7-15/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,25,29)(H2,24,26,27)', 'HNQZSWLJGQMZGQ-UHFFFAOYSA-N', 'COc1cc2nc(N3CCC(C(=O)NCc4ccccc4)CC3)nc(N)c2cc1OC'), ('745', '\n     RDKit          2D\n\n 29 31  0  0  0  0  0  0  0  0999 V2000\n    0.8667   -0.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5792    0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2917   -0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5792   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8667    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2917    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1542    0.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5792   -1.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0125   -1.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0042    0.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7250   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5625    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8667   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8542    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1417    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4417   -1.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1542   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5792    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7167    0.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2750    0.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1542   -1.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5792   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8500    1.3833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    5.8667   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2917    0.5625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5583   -2.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1500   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9958    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2750    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  5  1  0\n  3  4  2  0\n  4  1  1  0\n  5  1  2  0\n  6  2  2  0\n  7  5  1  0\n  8  4  1  0\n  9  3  1  0\n 10  6  1  0\n 11  9  2  0\n 12  7  2  0\n 13  8  2  0\n 14 15  2  0\n 15 17  1  0\n 16 11  1  0\n 17 16  1  0\n 18 22  2  0\n 19 10  2  0\n 20 12  1  0\n 21 13  1  0\n 22 24  1  0\n 23 14  1  0\n 24 17  2  0\n 25 18  1  0\n 26 21  1  0\n 27 21  1  0\n 28 20  1  0\n 29 20  1  0\n  3  6  1  0\n 11 19  1  0\n 18 14  1  0\nM  END', 'InChI=1S/C18H18Cl2N8S/c1-27(2)9-22-17-15-16(25-18(26-17)23-10-28(3)4)21-8-14(24-15)29-11-5-6-12(19)13(20)7-11/h5-10H,1-4H3/b22-9-,23-10+', 'PNQCEOXWZYHHGF-HOCGEZQUSA-N', 'CN(C)/C=N\c1nc(/N=C/N(C)C)nc2ncc(Sc3ccc(Cl)c(Cl)c3)nc12'), ('1190', '\n     RDKit          2D\n\n 25 27  0  0  0  0  0  0  0  0999 V2000\n    2.3792   -8.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9000   -8.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4167   -8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3792   -9.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9000   -9.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4167   -9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5667   -7.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0167   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9375   -8.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0917   -7.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5000   -8.5542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0500   -7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0542   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9417   -9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0125   -7.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8917   -7.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8625   -9.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5375   -8.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0917   -8.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4542   -8.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5542   -6.7417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    4.9750   -8.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5792   -8.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6042   -7.3292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    4.4625   -9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  2  0\n  3  2  1  0\n  4  1  1  0\n  5  4  2  0\n  6  5  1  0\n  7 12  2  0\n  8 11  1  0\n  9  3  1  0\n 10 19  2  0\n 11 22  1  0\n 12 13  1  0\n 13 18  1  0\n 14  6  1  0\n 15  8  2  0\n 16  2  1  0\n 17  4  1  0\n 18  8  1  0\n 19 23  1  0\n 20  9  2  0\n 21  7  1  0\n 22 20  1  0\n 23 13  2  0\n 24 10  1  0\n 25 14  2  0\n  3  6  2  0\n 20 25  1  0\n  7 10  1  0\nM  END', 'InChI=1S/C17H15Cl2N5O/c18-12-3-1-9(6-13(12)19)7-15(25)22-8-10-2-4-14-11(5-10)16(20)24-17(21)23-14/h1-6H,7-8H2,(H,22,25)(H4,20,21,23,24)', 'ZCGHSWKMSXXABB-UHFFFAOYSA-N', 'Nc1nc(N)c2cc(CNC(=O)Cc3ccc(Cl)c(Cl)c3)ccc2n1'), ('1407', '\n     RDKit          2D\n\n 23 26  0  0  0  0  0  0  0  0999 V2000\n    2.1625   -9.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6792   -9.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2000   -9.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1625  -10.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6792  -10.7875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2000  -10.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7167   -9.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7542   -9.5667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2375   -9.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2792   -9.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8125   -8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2917   -8.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6417  -10.7875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7167  -10.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6750   -8.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3292   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3167   -9.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2417  -10.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7917   -9.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8250   -7.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8542   -8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3500   -7.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8667   -7.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  2  0\n  3  2  1  0\n  4  1  1  0\n  5  4  2  0\n  6  5  1  0\n  7  3  1  0\n  8  9  1  0\n  9  7  2  0\n 10  8  1  0\n 11 12  2  0\n 12 10  1  0\n 13  4  1  0\n 14  6  1  0\n 15  2  1  0\n 16 17  2  0\n 17 19  1  0\n 18 14  2  0\n 19 10  2  0\n 20 11  1  0\n 21 16  1  0\n 22 20  2  0\n 23 21  2  0\n  3  6  2  0\n  9 18  1  0\n 11 16  1  0\n 22 23  1  0\nM  END', 'InChI=1S/C18H13N3S2/c19-17-15-10-14(7-8-16(15)20-18(22)21-17)23-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H3,19,20,21,22)', 'UAZUKMLXGIJJRM-UHFFFAOYSA-N', 'Nc1nc(S)nc2ccc(Sc3ccc4ccccc4c3)cc12'), ('2650', '\n     RDKit          2D\n\n 20 20  0  0  0  0  0  0  0  0999 V2000\n   -2.2083    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2083    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7333    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2458    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7333    1.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2458    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6875    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6875    1.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6958   -0.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7333   -0.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7708    1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1708    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6500    0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4667    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9500    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9125    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4292    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1333    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3917    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9875    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0\n  3  1  2  0\n  4  3  1  0\n  5  2  1  0\n  6  4  2  0\n  7  1  1  0\n  8  2  2  0\n  9  7  2  0\n 10  3  1  0\n 11  6  1  0\n 12  7  1  0\n 13 12  1  0\n 14 15  1  0\n 15 17  1  0\n 16 19  1  0\n 17 16  1  0\n 18 13  1  0\n 19 18  1  0\n 20 14  1  0\n  5  6  1  0\nM  END', 'InChI=1S/C16H24O4/c1-3-4-5-6-7-8-9-10-13(17)15-14(18)11-12(2)20-16(15)19/h11,18H,3-10H2,1-2H3', 'AJCLHNYQRKPYFQ-UHFFFAOYSA-N', 'CCCCCCCCCC(=O)c1c(O)cc(C)oc1=O');