-- DBMS: bigquery
CREATE TABLE `bigquery-public-data.ebi_chembl.compound_structures_27`
(
  molregno STRING,
  molfile STRING,
  standard_inchi STRING,
  standard_inchi_key STRING,
  canonical_smiles STRING
);

INSERT INTO `bigquery-public-data.ebi_chembl.compound_structures_27` (molregno, molfile, standard_inchi, standard_inchi_key, canonical_smiles) VALUES ('967', '\n     RDKit          2D\n\n 18 20  0  0  0  0  0  0  0  0999 V2000\n    2.5374   -5.7401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2496   -5.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9657   -5.7323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5296   -4.0861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8174   -4.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8174   -5.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1052   -4.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2418   -4.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3901   -6.5496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1052   -5.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3930   -4.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3930   -5.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9657   -6.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6740   -5.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3192   -4.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6779   -6.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3901   -5.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3231   -3.2688    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  5  1  0\n  5  6  1  0\n  6  1  1  0\n  7  5  2  0\n  8  2  1  0\n  9 17  1  0\n 10  6  2  0\n 11 12  2  0\n 12 10  1  0\n 13  3  1  0\n 14  3  1  0\n 15 11  1  0\n 16 13  1  0\n 17 14  1  0\n 18 15  1  0\n  4  8  2  0\n 11  7  1  0\n  9 16  1  0\nM  END', 'InChI=1S/C13H16N4O/c1-18-10-2-3-11-12(8-10)15-9-13(16-11)17-6-4-14-5-7-17/h2-3,8-9,14H,4-7H2,1H3', 'UWXRANOLLRAIRP-UHFFFAOYSA-N', 'COc1ccc2nc(N3CCNCC3)cnc2c1'), ('1779', '\n     RDKit          2D\n\n 29 33  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    1.2917   -0.0292    0.0000 N   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   -0.1375   -0.8542    0.0000 O   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    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    2.0042    0.3833    0.0000 C   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    0.5792    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2917   -0.8542    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    0.5750   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1333   -0.0292    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   11.3042   -0.0250    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 20  1  0\n 13  4  2  0\n 14  8  2  0\n 15  9  2  0\n 16 26  1  0\n 17 14  1  0\n 18 15  1  0\n 19 17  1  0\n 20 21  1  0\n 21 19  1  0\n 22 12  1  0\n 23 12  1  0\n 24 10  2  0\n 25 11  2  0\n 26 23  1  0\n 27 22  1  0\n 28 24  1  0\n 29 25  1  0\n  9  8  1  0\n 10 11  1  0\n 18 17  2  0\n 28 29  2  0\n 16 27  1  0\nM  END', 'InChI=1S/C23H23N3O3/c27-23(21-14-16-3-1-2-4-19(16)24-21)22-15-17-13-18(5-6-20(17)25-22)29-12-9-26-7-10-28-11-8-26/h1-6,13-15,24-25H,7-12H2', 'QDELNGWKLWYINZ-UHFFFAOYSA-N', 'O=C(c1cc2ccccc2[nH]1)c1cc2cc(OCCN3CCOCC3)ccc2[nH]1'), ('3891', '\n     RDKit          2D\n\n 19 19  0  0  1  0  0  0  0  0999 V2000\n   -1.4750   -9.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7583   -8.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0458   -9.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6667   -8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1875   -8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4750  -10.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0458  -10.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6667   -8.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9000   -9.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3792   -9.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1875   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5375  -10.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9000   -7.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4750   -7.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3167  -11.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3250  -10.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9042  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9000  -12.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6917  -11.9375    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  3  1  0\n  5  1  1  0\n  6  1  2  0\n  3  7  1  6\n  8  4  2  0\n  9  5  1  0\n 10  4  1  0\n  5 11  1  1\n 12  7  1  0\n 13 11  1  0\n 14 11  1  0\n 15 12  2  0\n 16 12  1  0\n 17 16  2  0\n 18 15  1  0\n 19 17  1  0\n 18 19  2  0\nM  END', 'InChI=1S/C14H20N2O3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)/t11-,12-/m0/s1', 'GJNDXQBALKCYSZ-RYUDHWBXSA-N', 'CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O'), ('3943', '\n     RDKit          2D\n\n 20 22  0  0  0  0  0  0  0  0999 V2000\n    2.5542    0.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6417   -0.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3000    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8542   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4500   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4667    1.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7333    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0208    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8375    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7333   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0125   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3083    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3000   -0.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1250    0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4042    0.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7917   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4458    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4458   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1583    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1583   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0\n  3  1  1  0\n  4  3  1  0\n  5  2  2  0\n  6  3  2  0\n  7  8  1  0\n  8 12  2  0\n  9  1  1  0\n 10 11  1  0\n 11 13  2  0\n 12 15  1  0\n 13 12  1  0\n 14  9  1  0\n 15 14  1  0\n 16  5  1  0\n 17  7  2  0\n 18 10  2  0\n 19 17  1  0\n 20 18  1  0\n  5  4  1  0\n  7 10  1  0\n 19 20  2  0\nM  END', 'InChI=1S/C16H16N2O2/c1-12-10-16(19)18(17-12)8-9-20-15-7-6-13-4-2-3-5-14(13)11-15/h2-7,11H,8-10H2,1H3', 'ISBUYSPRIJRBKX-UHFFFAOYSA-N', 'CC1=NN(CCOc2ccc3ccccc3c2)C(=O)C1'), ('5074', '\n     RDKit          2D\n\n 25 26  0  0  1  0  0  0  0  0999 V2000\n    5.5417   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1375   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9375   -2.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0417   -2.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6417   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5417   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5375   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0625   -2.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4375   -2.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6542   -3.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7500   -1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7417   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0625   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0250   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0125   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0417   -3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0542   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1500   -1.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1417   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0292   -3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5417   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0417   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0250   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0042   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5167   -4.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  6\n  1  3  1  6\n  4  5  1  0\n  5  3  1  0\n  1  6  1  1\n  1  7  1  1\n  8  6  2  0\n  9  2  2  0\n 10  2  1  0\n 11  4  1  0\n 12  4  1  0\n 13  8  1  0\n 14  6  1  0\n 15  7  2  0\n 16  7  1  0\n 17 11  1  0\n 18 11  1  0\n 19 12  1  0\n 20 12  1  0\n 21 23  1  0\n 22 16  2  0\n 23 14  2  0\n 24 15  1  0\n 25 22  1  0\n 24 25  2  0\n 13 21  2  0\nM  END', 'InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)/t21-/m0/s1', 'UVTNFZQICZKOEM-NRFANRHFSA-N', 'CC(C)N(CC[C@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C');