-- DBMS: bigquery
CREATE TABLE `bigquery-public-data.ebi_chembl.compound_structures_29`
(
  molregno STRING,
  molfile STRING,
  standard_inchi STRING,
  standard_inchi_key STRING,
  canonical_smiles STRING
);

INSERT INTO `bigquery-public-data.ebi_chembl.compound_structures_29` (molregno, molfile, standard_inchi, standard_inchi_key, canonical_smiles) VALUES ('1817415', '\n     RDKit          2D\n\n 23 26  0  0  0  0  0  0  0  0999 V2000\n   12.6835  -16.3491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5048  -16.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9134  -17.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5048  -17.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6835  -17.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2749  -18.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4577  -18.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0491  -17.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4577  -17.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2749  -17.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9134  -15.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7306  -17.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1392  -16.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9564  -16.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.3650  -17.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9564  -17.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.3650  -18.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9564  -19.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1392  -19.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7306  -18.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.1392  -17.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2749  -15.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0491  -19.1814    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0\n  2  3  1  0\n  3  4  2  0\n  4  5  1  0\n  5  6  1  0\n  6  7  2  0\n  7  8  1  0\n  8  9  2  0\n  9 10  1  0\n  1 10  1  0\n  5 10  2  0\n  2 11  2  0\n 12 13  1  0\n 13 14  2  0\n 14 15  1  0\n 15 16  2  0\n 16 17  1  0\n 17 18  2  0\n 18 19  1  0\n 19 20  2  0\n 20 21  1  0\n 12 21  2  0\n 16 21  1  0\n  3 12  1  0\n  1 22  1  0\n  7 23  1  0\nM  END', 'InChI=1S/C19H12FNO2/c20-14-8-9-18-13(10-14)11-17(19(22)21(18)23)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,23H', 'GKAYGOXDGHJWLO-UHFFFAOYSA-N', 'O=c1c(-c2cccc3ccccc23)cc2cc(F)ccc2n1O'), ('1818744', '\n     RDKit          2D\n\n 31 33  0  0  0  0  0  0  0  0999 V2000\n    6.9915  -14.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6781  -15.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4245  -14.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7627  -15.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8462  -14.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5108  -13.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4349  -16.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1067  -13.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4015  -13.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4114  -14.3410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4778  -15.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5648  -14.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0571  -15.7626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9852  -15.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5715  -15.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7313  -14.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7333  -16.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4001  -15.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6916  -13.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2703  -13.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1709  -15.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1000  -12.8327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0139  -16.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2592  -15.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2306  -14.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1491  -14.4683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8257  -14.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8491  -15.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0134  -14.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4960  -16.5392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4810  -13.0620    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n 20  1  1  0\n 19 10  1  0\n  5 12  1  0\n  4 13  1  1\n  3  9  1  1\n  3 26  1  0\n  7 18  1  0\n 12 20  1  0\n  1 19  1  0\n 16 29  1  6\n  2 14  1  0\n 11 30  1  6\n 21 26  1  0\n 28 15  1  0\n 24 15  2  0\n  6 27  1  0\n  8 27  1  0\n 14 23  2  0\n 27 28  2  0\n 17  7  2  0\n 18  2  2  0\n  4 11  1  0\n 24 25  1  0\n 26  5  1  0\n  6 25  2  0\n 24 14  1  0\n 23 17  1  0\n  9 22  1  0\n 16  4  1  0\n 10  8  1  0\n  3 16  1  0\n 11 21  1  0\n  6 31  1  0\nM  END', 'InChI=1S/C24H32FNO5/c25-20-13-18(17-7-3-1-4-8-17)9-10-19(20)16-31-12-6-2-5-11-26-14-22(28)24(30)23(29)21(26)15-27/h1,3-4,7-10,13,21-24,27-30H,2,5-6,11-12,14-16H2/t21-,22+,23-,24-/m1/s1', 'DWCDYYDNUCIAGD-UEQSERJNSA-N', 'OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)cc1F'), ('1821053', '\n     RDKit          2D\n\n 21 22  0  0  0  0  0  0  0  0999 V2000\n   10.9671   -2.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6837   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9717   -1.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9379   -2.8126    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7629   -2.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0197   -2.0285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3504   -1.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2470   -3.4807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9106   -4.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3947   -4.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0900   -4.3192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3491   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0630   -0.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6340   -0.3053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2555   -2.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5393   -2.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5342   -3.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2512   -3.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9644   -3.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.7781   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0582   -5.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0\n  3  2  1  0\n  4  5  1  0\n  5  6  2  0\n  6  7  1  0\n  7  2  1  0\n  2  4  1  0\n  5  8  1  0\n  8  9  1  0\n  9 10  1  0\n  9 11  2  0\n  7 12  1  0\n 12 13  1  0\n 12 14  2  0\n  1 15  2  0\n 15 16  1  0\n 16 17  2  0\n 17 18  1  0\n 18 19  2  0\n 19  1  1  0\n 13 20  1  0\n 10 21  1  0\nM  END', 'InChI=1S/C15H19N3O2S/c1-4-12(19)16-14-17-18(13(20)5-2)15(3,21-14)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3,(H,16,17,19)', 'QODYDTPCTYELNT-UHFFFAOYSA-N', 'CCC(=O)NC1=NN(C(=O)CC)C(C)(c2ccccc2)S1'), ('1821381', '\n     RDKit          2D\n\n 27 30  0  0  0  0  0  0  0  0999 V2000\n    9.8900   -4.0508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6008   -3.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3116   -4.0508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3116   -4.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6008   -5.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6008   -6.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8900   -6.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1792   -6.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1792   -5.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8900   -4.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0224   -5.2820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6008   -2.8197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8900   -2.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8900   -1.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6008   -1.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3116   -1.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3116   -2.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7332   -4.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4440   -5.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1549   -4.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8657   -5.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8657   -6.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1549   -6.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4440   -6.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1549   -7.3303    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   15.5734   -6.5114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5734   -7.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0\n  2  3  2  0\n  3  4  1  0\n  4  5  2  0\n  5  6  1  0\n  6  7  2  0\n  7  8  1  0\n  8  9  2  0\n  9 10  1  0\n  1 10  2  0\n  5 10  1  0\n  4 11  1  0\n 12 13  1  0\n 13 14  1  0\n 14 15  1  0\n 15 16  1  0\n 16 17  1  0\n 12 17  1  0\n  2 12  1  0\n 18 19  1  0\n 19 20  1  0\n 20 21  2  0\n 21 22  1  0\n 22 23  2  0\n 23 24  1  0\n 19 24  2  0\n 11 18  1  0\n 23 25  1  0\n 22 26  1  0\n 26 27  1  0\nM  END', 'InChI=1S/C21H23ClN4O/c1-27-19-10-9-15(13-17(19)22)14-23-20-16-7-3-4-8-18(16)24-21(25-20)26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,23,24,25)', 'BINWQLOMXNRDBD-UHFFFAOYSA-N', 'COc1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)cc1Cl'), ('1821409', '\n     RDKit          2D\n\n 32 36  0  0  0  0  0  0  0  0999 V2000\n    9.1021   -7.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8359   -4.6857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8359   -7.9693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1021   -7.9693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3918   -6.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3918   -8.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5462   -6.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9710   -6.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6814   -7.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4152   -7.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1256   -8.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5462   -5.9191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8359   -3.0439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1256   -5.9191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1256   -6.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6814   -7.9693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8359   -5.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1256   -4.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5462   -3.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1256   -3.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5462   -4.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8125   -8.3818    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4152   -7.9693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2566   -7.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8359   -7.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8341   -2.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5434   -1.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5438   -1.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8355   -0.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1255   -1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1286   -1.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8344    0.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  7 25  2  0\n 14 17  1  0\n  3 11  2  0\n  1  4  1  0\n 20 13  1  0\n 12  7  1  0\n  7 24  1  0\n 17 12  2  0\n 13 19  1  0\n  6 16  1  0\n  9  5  1  0\n 10 15  1  0\n  2 18  1  0\n  5  1  2  0\n 19 21  1  0\n  2 21  1  0\n  4  6  2  0\n  8  9  1  0\n 17  2  1  0\n  9 16  2  0\n 25 15  1  0\n 11 23  1  0\n 14 15  2  0\n 18 20  1  0\n 24  8  1  0\n  4 22  1  0\n 25  3  1  0\n 23 10  2  0\n 26 27  2  0\n 27 28  1  0\n 28 29  2  0\n 29 30  1  0\n 30 31  2  0\n 31 26  1  0\n 13 26  1  0\n 29 32  1  0\nM  END', 'InChI=1S/C25H25FN6/c26-19-7-5-18(6-8-19)17-28-24-22-3-1-2-4-23(22)29-25(30-24)32-15-13-31(14-16-32)21-11-9-20(27)10-12-21/h1-12H,13-17,27H2,(H,28,29,30)', 'CUNPEBFADRUVQN-UHFFFAOYSA-N', 'Nc1ccc(N2CCN(c3nc(NCc4ccc(F)cc4)c4ccccc4n3)CC2)cc1');