-- DBMS: bigquery
CREATE TABLE `bigquery-public-data.ebi_chembl.compound_structures_25`
(
  molregno STRING,
  molfile STRING,
  standard_inchi STRING,
  standard_inchi_key STRING,
  canonical_smiles STRING
);

INSERT INTO `bigquery-public-data.ebi_chembl.compound_structures_25` (molregno, molfile, standard_inchi, standard_inchi_key, canonical_smiles) VALUES ('933', '\n  SciTegic01161211222D\n\n 20 21  0  0  0  0            999 V2000\n    2.6520   -2.4290    0.0000 C   0  0\n    3.3171   -2.9152    0.0000 S   0  0\n    3.9853   -2.4330    0.0000 C   0  0\n    3.7329   -1.6484    0.0000 N   0  0\n    2.9091   -1.6461    0.0000 N   0  0\n    4.7036   -2.8395    0.0000 S   0  0\n    4.7110   -3.6653    0.0000 N   0  0\n    5.0671   -2.0952    0.0000 O   0  0\n    5.4409   -3.2033    0.0000 O   0  0\n    1.9401   -2.8460    0.0000 N   0  0\n    1.2222   -2.4384    0.0000 S   0  0\n    0.5100   -2.8562    0.0000 C   0  0\n    0.6306   -1.8474    0.0000 O   0  0\n    1.8024   -1.8474    0.0000 O   0  0\n   -0.2040   -2.4471    0.0000 C   0  0\n   -0.9158   -2.8642    0.0000 C   0  0\n   -0.9104   -3.6908    0.0000 C   0  0\n   -0.1873   -4.0984    0.0000 C   0  0\n    0.5213   -3.6788    0.0000 C   0  0\n   -1.6219   -4.1097    0.0000 N   0  0\n  1 10  1  0\n  5  1  2  0\n 10 11  1  0\n  1  2  1  0\n 11 12  1  0\n  3  6  1  0\n 11 13  2  0\n 11 14  2  0\n  6  7  1  0\n 12 15  2  0\n  2  3  1  0\n 15 16  1  0\n  6  8  2  0\n 16 17  2  0\n  3  4  2  0\n 17 18  1  0\n  6  9  2  0\n 18 19  2  0\n 19 12  1  0\n  4  5  1  0\n 17 20  1  0\nM  END', 'InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)', 'BDLSLORLEPSOGW-UHFFFAOYSA-N', 'Nc1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N'), ('1130', '\n  Mrv0541 04051115152D          \n\n 19 19  0  0  0  0            999 V2000\n    0.4532    0.5161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2613    0.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9758    0.5161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9758   -0.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2613   -0.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4532   -0.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2613    1.7536    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2613    2.5786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5637    1.7536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0863    1.7536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1676   -0.7214    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7551   -1.4359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5801   -0.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8821   -1.1339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6902    0.9286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2613   -1.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2613   -2.3714    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5233   -1.8013    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0863   -1.5464    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n 14 11  2  0  0  0  0\n 13 11  2  0  0  0  0\n 12 11  1  0  0  0  0\n  6 11  1  0  0  0  0\n 16 17  1  0  0  0  0\n 16 19  1  0  0  0  0\n 16 18  1  0  0  0  0\n  5 16  1  0  0  0  0\n  6  5  2  0  0  0  0\n  1  6  1  0  0  0  0\n  5  4  1  0  0  0  0\n  2  1  2  0  0  0  0\n  4  3  2  0  0  0  0\n  2  3  1  0  0  0  0\n  2  7  1  0  0  0  0\n  8  7  1  0  0  0  0\n  3 15  1  0  0  0  0\n 10  7  2  0  0  0  0\n  9  7  2  0  0  0  0\nM  END', 'InChI=1S/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17)', 'KRVABEGPNKGLOT-UHFFFAOYSA-N', 'Nc1cc(c(cc1S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F'), ('1483', '\n          11280714442D 1   1.00000     0.00000     0\n\n 25 26  0     1  0            999 V2000\n    2.9417   -2.2625    0.0000 N   0  0  3  0  0  0           0  0  0\n    2.9417   -1.4375    0.0000 S   0  0  3  0  0  0           0  0  0\n    2.2375   -2.6792    0.0000 C   0  0  2  0  0  0           0  0  0\n    3.6542   -3.5042    0.0000 N   0  0  3  0  0  0           0  0  0\n    3.6542   -2.6792    0.0000 C   0  0  0  0  0  0           0  0  0\n    2.9417   -3.9125    0.0000 C   0  0  0  0  0  0           0  0  0\n    2.2375   -3.5042    0.0000 C   0  0  0  0  0  0           0  0  0\n    1.5167   -2.2667    0.0000 C   0  0  0  0  0  0           0  0  0\n    3.7417   -1.2167    0.0000 C   0  0  0  0  0  0           0  0  0\n    2.7292   -0.6375    0.0000 O   0  0  0  0  0  0           0  0  0\n    2.1417   -1.6500    0.0000 O   0  0  0  0  0  0           0  0  0\n    2.9417   -4.7375    0.0000 O   0  0  0  0  0  0           0  0  0\n    1.5167   -1.4417    0.0000 O   0  0  0  0  0  0           0  0  0\n    4.3750   -3.9167    0.0000 C   0  0  3  0  0  0           0  0  0\n    0.8042   -2.6792    0.0000 N   0  0  0  0  0  0           0  0  0\n    4.3167   -1.8000    0.0000 C   0  0  0  0  0  0           0  0  0\n    3.9417   -0.4292    0.0000 C   0  0  0  0  0  0           0  0  0\n    5.3167   -0.7875    0.0000 C   0  0  0  0  0  0           0  0  0\n    4.7292   -0.2042    0.0000 C   0  0  0  0  0  0           0  0  0\n    5.1125   -1.5792    0.0000 C   0  0  0  0  0  0           0  0  0\n    0.0917   -2.2667    0.0000 O   0  0  0  0  0  0           0  0  0\n    6.1167   -0.5667    0.0000 O   0  0  0  0  0  0           0  0  0\n    4.3667   -4.7417    0.0000 C   0  0  0  0  0  0           0  0  0\n    5.0875   -3.5042    0.0000 C   0  0  0  0  0  0           0  0  0\n    6.7042   -1.1500    0.0000 C   0  0  0  0  0  0           0  0  0\n  2  1  1  0     0  0\n  3  1  1  0     0  0\n  4  5  1  0     0  0\n  5  1  1  0     0  0\n  6  4  1  0     0  0\n  7  3  1  0     0  0\n  3  8  1  6     0  0\n  9  2  1  0     0  0\n 10  2  2  0     0  0\n 11  2  2  0     0  0\n 12  6  2  0     0  0\n 13  8  2  0     0  0\n 14  4  1  0     0  0\n 15  8  1  0     0  0\n 16  9  2  0     0  0\n 17  9  1  0     0  0\n 18 19  1  0     0  0\n 19 17  2  0     0  0\n 20 16  1  0     0  0\n 21 15  1  0     0  0\n 22 18  1  0     0  0\n 23 14  1  0     0  0\n 24 14  1  0     0  0\n 25 22  1  0     0  0\n  7  6  1  0     0  0\n 20 18  2  0     0  0\nM  END', 'InChI=1S/C15H21N3O6S/c1-10(2)17-9-18(13(8-14(17)19)15(20)16-21)25(22,23)12-6-4-11(24-3)5-7-12/h4-7,10,13,21H,8-9H2,1-3H3,(H,16,20)/t13-/m1/s1', 'SRBWJOFRJIEWKS-CYBMUJFWSA-N', 'COc1ccc(cc1)S(=O)(=O)N2CN(C(C)C)C(=O)C[C@@H]2C(=O)NO'), ('1878', '\n  CDK    6/4/10,11:41\n\n 18 20  0  0  0  0  0  0  0  0999 V2000\n   -4.9929   -0.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9940   -0.8557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2798   -1.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2816    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5668   -0.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5661   -0.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8515   -1.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1370   -0.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8571    0.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1412   -0.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5298    0.5322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8679    1.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6881    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4217   -1.2574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4188   -2.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4617    2.0019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8762    2.7144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6374    2.0047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  9  5  1  0  0  0  0 \n  9 10  2  0  0  0  0 \n  5  4  2  0  0  0  0 \n  4  1  1  0  0  0  0 \n  2  3  1  0  0  0  0 \n  5  6  1  0  0  0  0 \n 10 11  1  0  0  0  0 \n 11 12  1  0  0  0  0 \n 12 13  2  0  0  0  0 \n 13  9  1  0  0  0  0 \n  3  6  2  0  0  0  0 \n  8 14  1  0  0  0  0 \n  6  7  1  0  0  0  0 \n 14 15  1  0  0  0  0 \n  1  2  2  0  0  0  0 \n  7  8  2  0  0  0  0 \n  8 10  1  0  0  0  0 \n 16 17  2  0  0  0  0 \n 16 18  1  0  0  0  0 \n 12 16  1  0  0  0  0 \nM  CHG  1  16   1\nM  CHG  1  18  -1\nM  END', 'InChI=1S/C13H9NO4/c1-17-11-6-8-4-2-3-5-9(8)10-7-12(14(15)16)18-13(10)11/h2-7H,1H3', 'FJXJAAFKONAPKR-UHFFFAOYSA-N', 'COc1cc2ccccc2c3cc(oc13)[N+](=O)[O-]'), ('2200467', '\n  SciTegic07121821112D\n\n 24 27  0  0  0  0            999 V2000\n   17.8539   -4.1726    0.0000 C   0  0\n   18.5592   -3.7640    0.0000 C   0  0\n   18.5592   -2.9427    0.0000 N   0  0\n   17.8539   -2.5259    0.0000 C   0  0\n   17.1445   -3.7640    0.0000 C   0  0\n   17.1445   -2.9428    0.0000 C   0  0\n   16.3633   -2.6902    0.0000 N   0  0\n   15.8787   -3.3513    0.0000 C   0  0\n   16.3632   -4.0164    0.0000 O   0  0\n   15.0618   -3.3576    0.0000 C   0  0\n   14.6538   -2.6442    0.0000 C   0  0\n   13.8333   -2.6438    0.0000 C   0  0\n   13.4197   -3.3562    0.0000 C   0  0\n   13.8368   -4.0662    0.0000 C   0  0\n   14.6560   -4.0631    0.0000 N   0  0\n   19.2722   -2.5321    0.0000 C   0  0\n   19.9829   -2.9469    0.0000 C   0  0\n   19.2746   -1.7108    0.0000 O   0  0\n   19.9789   -3.7692    0.0000 C   0  0\n   20.6887   -4.1839    0.0000 C   0  0\n   21.4027   -3.7732    0.0000 C   0  0\n   21.4025   -2.9477    0.0000 C   0  0\n   20.6921   -2.5408    0.0000 C   0  0\n   12.6025   -3.3583    0.0000 F   0  0\n  6  4  1  0\n  5  1  1  0\n  1  2  1  0\n  2  3  1  0\n  3  4  1  0\n  5  6  2  0\n  6  7  1  0\n  7  8  2  0\n  8  9  1  0\n  9  5  1  0\n 10 11  2  0\n 11 12  1  0\n 12 13  2  0\n 13 14  1  0\n 14 15  2  0\n 15 10  1  0\n  8 10  1  0\n  3 16  1  0\n 16 17  1  0\n 16 18  2  0\n 17 19  2  0\n 19 20  1  0\n 20 21  2  0\n 21 22  1  0\n 22 23  2  0\n 23 17  1  0\n 13 24  1  0\nM  END', 'InChI=1S/C18H14FN3O2/c19-13-6-7-14(20-10-13)17-21-15-11-22(9-8-16(15)24-17)18(23)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2', 'FOPJMYBQTFPHTL-UHFFFAOYSA-N', 'Fc1ccc(nc1)c2oc3CCN(Cc3n2)C(=O)c4ccccc4');