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  • Click # to view 2D diagram of the ligand.
  • The 3-letter Ligand ID follows the Chemical Component Dictionary (CCD) used by the PDB database. When availble, the Ligand ID from ChEMBL, DrugBank, and ZINC databases are also listed in the form of CHEMBL*, DB*, and ZINC*, respectively. Click on the Ligand ID to view the ligand at RCSB PDB, ChEMBL, DrugBank or ZINC.
  • Count is the number of BioLiP entries with the ligand. The full statistics is available at lig_frequency.txt. Click Count to search the ligand through BioLiP.
  • If multiple SMILES strings exists for the same ligand, different SMILES are separated by semicolon ";".

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    37001
    TA3
    ZINC000098209439    		 0 C10 H17 N2 O7 P InChI=1S/C10H17N2O7P/c1-5
    -3-11-9(5)12(10(11)14)8-2
    -6(13)7(19-8)4-18-20(15,1
    6)17/h5-9,13H,2-4H2,1H3,(
    H2,15,16,17)/t5-,6+,7-,8-
    ,9+/m1/s1;
    TXQJFYDCAIBOMW-WUNNTHRKSA-N    		 C[C@@H]1CN2[C@H]1N(C2=O)[C@H]3C[C@@H]([C
    @H](O3)COP(=O)(O)O)O; CC1CN2C1N(C2=O)C3C
    C(C(O3)COP(=O)(O)O)O; C[CH]1CN2[CH]1N([C
    H]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C2=O; C
    [C@@H]1CN2[C@H]1N([C@H]3C[C@H](O)[C@@H](
    CO[P](O)(O)=O)O3)C2=O; O=C2N1CC(C1N2C3OC
    (C(O)C3)COP(=O)(O)O)C    		 (4S,5R)-3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-METHYL-1,3-DIAZABICYCLO[2.2.0]HEXAN-2-ONE
    37002
    TA4
    DB03244
    ZINC000012503325    		 0 C9 H16 N4 O2 InChI=1S/C9H16N4O2/c1-6(2
    )3-8(9(14)15)13-5-7(4-10)
    11-12-13/h5-6,8H,3-4,10H2
    ,1-2H3,(H,14,15)/t8-/m0/s
    1;
    IAMZCZOWEDXWHW-QMMMGPOBSA-N    		 CC(C)C[C@H](n1cc(CN)nn1)C(O)=O; O=C(O)C(
    n1nnc(c1)CN)CC(C)C; CC(C)CC(C(=O)O)n1cc(
    nn1)CN; CC(C)C[CH](n1cc(CN)nn1)C(O)=O; C
    C(C)C[C@@H](C(=O)O)n1cc(nn1)CN    		 (S)-2-[4-(AMINOMETHYL)-1H-1,2,3-TRIAZOL-1-YL]-4-METHYLPENTANOIC ACID
    37003
    TA5
    ZINC000004343262    		 0 C3 H5 N3 O InChI=1S/C3H5N3O/c7-2-3-1
    -4-6-5-3/h1,7H,2H2,(H,4,5
    ,6);
    OADYBXHYXPEGHX-UHFFFAOYSA-N    		 c1c(n[nH]n1)CO; OCc1cn[nH]n1; OCc1nnnc1 2H-1,2,3-TRIAZOL-4-YLMETHANOL
    37004
    TA6
    ZINC000001530388    		 3 C6 H13 O9 P InChI=1S/C6H13O9P/c7-2-6(
    10)5(9)4(8)3(15-6)1-14-16
    (11,12)13/h3-5,7-10H,1-2H
    2,(H2,11,12,13)/t3-,4+,5+
    ,6-/m1/s1;
    BGWGXPAPYGQALX-DPYQTVNSSA-N    		 OC[C@@]1(O)O[C@H](CO[P](O)(O)=O)[C@H](O)
    [C@@H]1O; O=P(O)(O)OCC1OC(O)(CO)C(O)C1O;
    C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O; C([C
    @@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)OP(
    =O)(O)O; OC[C]1(O)O[CH](CO[P](O)(O)=O)[C
    H](O)[CH]1O    		 6-O-phosphono-beta-D-tagatofuranose;
    6-O-phosphono-beta-D-tagatose;
    6-O-phosphono-D-tagatose;
    6-O-phosphono-tagatose
    37005
    TA7
    ZINC000100034341    		 4 C11 H9 F3 O3 InChI=1S/C11H9F3O3/c1-17-
    8-4-2-7(3-5-8)9(15)6-10(1
    6)11(12,13)14/h2-5H,6H2,1
    H3;
    NNEIYSHJFCLFES-UHFFFAOYSA-N    		 COc1ccc(cc1)C(=O)CC(=O)C(F)(F)F; FC(F)(F
    )C(=O)CC(=O)c1ccc(OC)cc1    		 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione
    37006
    TA8
    ZINC000095920536    		 6 C12 H18 O8 InChI=1S/C12H18O8/c1-6(10
    (15)16)4-8(12(19)20)5-7(1
    1(17)18)2-3-9(13)14/h6-8H
    ,2-5H2,1H3,(H,13,14)(H,15
    ,16)(H,17,18)(H,19,20)/t6
    -,7-,8-/m0/s1;
    UEYGDIASMOPQFG-FXQIFTODSA-N    		 CC(CC(CC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O;
    C[C@@H](C[C@@H](C[C@H](CCC(=O)O)C(=O)O)C
    (=O)O)C(=O)O; C[C@@H](C[C@@H](C[C@H](CCC
    (O)=O)C(O)=O)C(O)=O)C(O)=O; O=C(O)C(CC(C
    (=O)O)CCC(=O)O)CC(C(=O)O)C; C[CH](C[CH](
    C[CH](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O    		 POLYACRYLIC ACID;
    OCTANE-1,3,5,7-TETRACARBOXYLIC ACID
    37007
    TA9
    ZINC000058651056    		 2 C21 H22 N2 O5 InChI=1S/C21H22N2O5/c1-10
    -17(24)20(27)19(26)15(23-
    10)9-22-21(28)14-8-4-7-12
    -11-5-2-3-6-13(11)18(25)1
    6(12)14/h2-8,10,15,17,19-
    20,23-24,26-27H,9H2,1H3,(
    H,22,28)/t10-,15+,17+,19+
    ,20+/m0/s1;
    NQPIYVRYYGVNCF-KOOFZGQNSA-N    		 C[CH]1N[CH](CNC(=O)c2cccc3c4ccccc4C(=O)c
    23)[CH](O)[CH](O)[CH]1O; C[C@@H]1N[C@H](
    CNC(=O)c2cccc3c4ccccc4C(=O)c23)[C@@H](O)
    [C@H](O)[C@@H]1O; O=C3c4ccccc4c2cccc(C(=
    O)NCC1NC(C(O)C(O)C1O)C)c23; CC1C(C(C(C(N
    1)CNC(=O)c2cccc-3c2C(=O)c4c3cccc4)O)O)O;
    C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(
    =O)c2cccc-3c2C(=O)c4c3cccc4)O)O)O    		 9-oxo-N-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-piperidin-2-yl]methyl]fluorene-1-carboxamide
    37008
    TAA
    ZINC000058638626    		 6 C20 H21 Cl2 F3 N3 O8 P InChI=1S/C20H21Cl2F3N3O8P
    /c21-17(22)18(30)27-15(9-
    29)16(12-3-7-14(8-4-12)28
    (32)33)36-37(34,35)10-11-
    1-5-13(6-2-11)26-19(31)20
    (23,24)25/h1-8,15-18,27,2
    9-30H,9-10H2,(H,26,31)(H,
    34,35)/t15-,16-,18+/m1/s1;
    PXDSVFRUDNCBRZ-NUJGCVRESA-N    		 c1cc(ccc1C[P@](=O)(O)O[C@H](c2ccc(cc2)[N
    +](=O)[O-])[C@@H](CO)NC(C(Cl)Cl)O)NC(=O)
    C(F)(F)F; c1cc(ccc1CP(=O)(O)OC(c2ccc(cc2
    )[N+](=O)[O-])C(CO)NC(C(Cl)Cl)O)NC(=O)C(
    F)(F)F; FC(F)(F)C(=O)Nc1ccc(cc1)CP(=O)(O
    C(c2ccc(cc2)[N+]([O-])=O)C(NC(O)C(Cl)Cl)
    CO)O; OC[C@@H](N[C@@H](O)C(Cl)Cl)[C@H](O
    [P@](O)(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1)c2c
    cc(cc2)[N+]([O-])=O; OC[CH](N[CH](O)C(Cl
    )Cl)[CH](O[P](O)(=O)Cc1ccc(NC(=O)C(F)(F)
    F)cc1)c2ccc(cc2)[N+]([O-])=O    		 [4-(2,2,2-TRIFLUORO-ACETYLAMINO)-BENZYL]-PHOSPHONIC ACID MONO-[2-(2,2-DICHLORO-1-HYDROXY-ETHYLAMINO)-3-HYDROXY-1-(4-NITRO-PHENYL)-PROPYL] ESTER
    37009
    TAB
    CHEMBL55764
    ZINC000018068911    		 1 C23 H26 Cl N7 O2 InChI=1S/C23H26ClN7O2/c1-
    3-19-21(22(25)28-23(26)27
    -19)17-9-10-18(24)20(13-1
    7)29-30-31(11-12-33-15(2)
    32)14-16-7-5-4-6-8-16/h4-
    10,13H,3,11-12,14H2,1-2H3
    ,(H4,25,26,27,28)/b30-29+;
    QKBISNUGIKKCIM-QVIHXGFCSA-N    		 CCc1c(c(nc(n1)N)N)c2ccc(c(c2)N=NN(CCOC(=
    O)C)Cc3ccccc3)Cl; CCc1nc(N)nc(N)c1c2ccc(
    Cl)c(c2)N=NN(CCOC(C)=O)Cc3ccccc3; Clc3cc
    c(c1c(nc(nc1CC)N)N)cc3/N=N/N(Cc2ccccc2)C
    COC(=O)C    		 ACETIC ACID N-[2-CHLORO-5-[6-ETHYL-2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-[BENZYL-TRIAZEN-3-YL]ETHYL ESTER
    37010
    TAC
    CHEMBL1440
    DB00759
    ZINC000084441937    		 16 C22 H24 N2 O8 InChI=1S/C22H24N2O8/c1-21
    (31)8-5-4-6-11(25)12(8)16
    (26)13-9(21)7-10-15(24(2)
    3)17(27)14(20(23)30)19(29
    )22(10,32)18(13)28/h4-6,9
    -10,15,25,27-28,31-32H,7H
    2,1-3H3,(H2,23,30)/t9-,10
    -,15-,21+,22-/m0/s1;
    OFVLGDICTFRJMM-WESIUVDSSA-N    		 CC1(c2cccc(c2C(=O)C3=C(C4(C(CC31)C(C(=C(
    C4=O)C(=O)N)O)N(C)C)O)O)O)O; O=C3C2=C(O)
    C1(O)C(=O)C(=C(O)C(N(C)C)C1CC2C(O)(c4ccc
    c(O)c34)C)C(=O)N; CN(C)[C@H]1[C@@H]2C[C@
    H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(N)=O)C(=
    O)c4c(O)cccc4[C@@]3(C)O; C[C@]1(c2cccc(c
    2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)C(C(=C
    (C4=O)C(=O)N)O)N(C)C)O)O)O)O; CN(C)[CH]1
    [CH]2C[CH]3C(=C(O)[C]2(O)C(=O)C(=C1O)C(N
    )=O)C(=O)c4c(O)cccc4[C]3(C)O    		 TETRACYCLINE
    37011
    TAD
    ZINC000024536476    		 17 C20 H27 N7 O13 P2 S InChI=1S/C20H27N7O13P2S/c
    21-16-10-18(24-4-23-16)27
    (5-25-10)20-14(31)12(29)9
    (40-20)2-38-42(35,36)6-41
    (33,34)37-1-8-11(28)13(30
    )15(39-8)19-26-7(3-43-19)
    17(22)32/h3-5,8-9,11-15,2
    0,28-31H,1-2,6H2,(H2,22,3
    2)(H,33,34)(H,35,36)(H2,2
    1,23,24)/t8-,9-,11-,12-,1
    3-,14-,15-,20-/m1/s1;
    CRWWKLKZKYLFQV-HVIRUEHBSA-N    		 c1c(nc(s1)C2C(C(C(O2)COP(=O)(CP(=O)(O)OC
    C3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O
    )N; NC(=O)c1csc(n1)[CH]2O[CH](CO[P](O)(=
    O)C[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)
    n4cnc5c(N)ncnc45)[CH](O)[CH]2O; O=P(O)(O
    CC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)CP(=O)(O)
    OCC5OC(c4nc(cs4)C(=O)N)C(O)C5O; c1c(nc(s
    1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O
    )(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@
    H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N; N
    C(=O)c1csc(n1)[C@@H]2O[C@H](CO[P@](O)(=O
    )C[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@
    H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O    		 BETA-METHYLENE-THIAZOLE-4-CARBOXYAMIDE-ADENINE DINUCLEOTIDE
    37012
    TAE
    ZINC000098209441    		 1 C9 H14 N2 O8 P2 InChI=1S/C9H14N2O8P2/c1-7
    -6-11(9(13)10-8(7)12)4-2-
    3-5-20(14,15)19-21(16,17)
    18/h2-3,6H,4-5H2,1H3,(H,1
    4,15)(H,10,12,13)(H2,16,1
    7,18)/b3-2+;
    XCVLZXXLVNRCHX-NSCUHMNNSA-N    		 CC1=CN(C/C=C/C[P](O)(=O)O[P](O)(O)=O)C(=
    O)NC1=O; CC1=CN(C(=O)NC1=O)CC=CCP(=O)(O)
    OP(=O)(O)O; CC1=CN(C(=O)NC1=O)C\C=C\C[P@
    ](=O)(O)OP(=O)(O)O; CC1=CN(CC=CC[P](O)(=
    O)O[P](O)(O)=O)C(=O)NC1=O    		 N1-[(E)-4-DIHYDROXYPHOSPHONYL-BUT-2-ENYL]-THYMINE
    37013
    TAF
    CHEMBL1236182    		 0 C10 H14 F N2 O8 P InChI=1S/C10H14FN2O8P/c1-
    4-2-13(10(16)12-8(4)15)9-
    6(11)7(14)5(21-9)3-20-22(
    17,18)19/h2,5-7,9,14H,3H2
    ,1H3,(H,12,15,16)(H2,17,1
    8,19)/t5-,6+,7-,9-/m1/s1;
    XJQFIHYTCPKUTK-JVZYCSMKSA-N    		 O=C1NC(=O)N(C=C1C)C2OC(C(O)C2F)COP(=O)(O
    )O; CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]
    ([C@H](O2)COP(=O)(O)O)O)F; CC1=CN([CH]2O
    [CH](CO[P](O)(O)=O)[CH](O)[CH]2F)C(=O)NC
    1=O; CC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)
    [C@@H](O)[C@@H]2F)C(=O)NC1=O; CC1=CN(C(=
    O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)F    		 2'-DEOXY-2'-FLUORO-ARABINO-FURANOSYL THYMINE-5'-PHOSPHATE
    37014
    TAG
    CHEMBL1236183
    DB04936
    ZINC000002516866    		 10 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3(9
    )5(11)6(12)4(10)2-8/h3,5-
    9,11-12H,1-2H2/t3-,5+,6-/
    m1/s1;
    BJHIKXHVCXFQLS-PQLUHFTBSA-N    		 C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O; O
    C[C@@H](O)[C@H](O)[C@H](O)C(=O)CO; O=C(C
    (O)C(O)C(O)CO)CO; C(C(C(C(C(=O)CO)O)O)O)
    O; OC[CH](O)[CH](O)[CH](O)C(=O)CO    		 D-tagatose
    37015
    TAH
    CHEMBL1587693
    ZINC000000529455    		 2 C14 H14 N2 O2 InChI=1S/C14H14N2O2/c15-1
    6-14(17)12-8-4-5-9-13(12)
    18-10-11-6-2-1-3-7-11/h1-
    9H,10,15H2,(H,16,17);
    WPIKJQNXQSBHPU-UHFFFAOYSA-N    		 NNC(=O)c1ccccc1OCc2ccccc2; c1ccc(cc1)COc
    2ccccc2C(=O)NN    		 2-(benzyloxy)benzohydrazide;
    2-phenylmethoxybenzohydrazide;
    935766
    37016
    TAI    		 3 C19 H24 N6 O4 InChI=1S/C19H24N6O4/c20-1
    2-5-3-11(4-6-12)2-1-7-21-
    17-14-18(23-9-22-17)25(10
    -24-14)19-16(28)15(27)13(
    8-26)29-19/h3-6,9-10,13,1
    5-16,19,26-28H,1-2,7-8,20
    H2,(H,21,22,23)/t13-,15-,
    16-,19-/m1/s1;
    ZGGQXDUSBXMHFX-NVQRDWNXSA-N    		 c1cc(ccc1CCCNc2c3c(ncn2)n(cn3)C4C(C(C(O4
    )CO)O)O)N; Nc1ccc(CCCNc2ncnc3n(cnc23)[C@
    @H]4O[C@H](CO)[C@@H](O)[C@H]4O)cc1; Nc1c
    cc(cc1)CCCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O;
    c1cc(ccc1CCCNc2c3c(ncn2)n(cn3)[C@H]4[C@
    @H]([C@@H]([C@H](O4)CO)O)O)N; Nc1ccc(CCC
    Nc2ncnc3n(cnc23)[CH]4O[CH](CO)[CH](O)[CH
    ]4O)cc1    		 N-[3-(4-aminophenyl)propyl]adenosine
    37017
    TAJ
    ZINC000584905692    		 7 C34 H46 O14 InChI=1S/C34H46O14/c1-11-
    10-34(43)32(7,33(8,42)29(
    41)48-34)21-18(11)31(6)19
    (24(21)40)17-20(26(44-12(
    2)35)28(31)46-14(4)37)30(
    5)15(22(38)23(17)39)9-16-
    25(47-16)27(30)45-13(3)36
    /h11,15-21,23-28,39-40,42
    -43H,9-10H2,1-8H3/t11-,15
    -,16+,17+,18+,19-,20-,21+
    ,23-,24-,25+,26+,27+,28+,
    30+,31-,32+,33-,34+/m1/s1;
    LCGALHWJYVLUHN-KNRACXJJSA-N    		 C[C@@H]1C[C@]2([C@@]([C@H]3[C@H]1[C@@]4(
    [C@@H]([C@H]3O)[C@H]5[C@H]([C@@H]([C@@H]
    4OC(=O)C)OC(=O)C)[C@@]6([C@H](C[C@H]7[C@
    @H]([C@@H]6OC(=O)C)O7)C(=O)[C@@H]5O)C)C)
    ([C@](C(=O)O2)(C)O)C)O; C[CH]1C[C]2(O)OC
    (=O)[C](C)(O)[C]2(C)[CH]3[CH](O)[CH]4[CH
    ]5[CH](O)C(=O)[CH]6C[CH]7O[CH]7[CH](OC(C
    )=O)[C]6(C)[CH]5[CH](OC(C)=O)[CH](OC(C)=
    O)[C]4(C)[CH]13; CC1CC2(C(C3C1C4(C(C3O)C
    5C(C(C4OC(=O)C)OC(=O)C)C6(C(CC7C(C6OC(=O
    )C)O7)C(=O)C5O)C)C)(C(C(=O)O2)(C)O)C)O;
    C[C@@H]1C[C@]2(O)OC(=O)[C@@](C)(O)[C@]2(
    C)[C@@H]3[C@H](O)[C@H]4[C@@H]5[C@@H](O)C
    (=O)[C@H]6C[C@@H]7O[C@@H]7[C@H](OC(C)=O)
    [C@]6(C)[C@H]5[C@H](OC(C)=O)[C@H](OC(C)=
    O)[C@]4(C)[C@@H]13    		 taccalonolide AJ
    37018
    TAK
    CHEMBL478629
    DB08597
    ZINC000013829435    		 9 C24 H25 N5 O InChI=1S/C24H25N5O/c1-2-1
    2-28(13-3-1)14-15-30-22-6
    -4-19(5-7-22)21-16-26-24-
    23(17-27-29(24)18-21)20-8
    -10-25-11-9-20/h4-11,16-1
    8H,1-3,12-15H2;
    XHBVYDAKJHETMP-UHFFFAOYSA-N    		 c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CC
    CCC5; C1CCN(CC1)CCOc2ccc(cc2)c3cnc4n(c3)
    ncc4c5ccncc5; O(c4ccc(c2cn3ncc(c1ccncc1)
    c3nc2)cc4)CCN5CCCCC5    		 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;
    Dorsomorphin
    37019
    TAL
    CHEMBL1236184
    DB02934
    ZINC000006521063    		 3 C12 H16 N4 O4 InChI=1S/C12H16N4O4/c1-5-
    7-11(14-3-13-5)16(4-15-7)
    12-9(19)8(18)10(20-12)6(2
    )17/h3-4,6,8-10,12,17-19H
    ,1-2H3/t6-,8-,9+,10+,12+/
    m0/s1;
    XJZDIUOABWMPLZ-DSBXBFMBSA-N    		 C[C@H](O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n
    2cnc3c(C)ncnc23; C[CH](O)[CH]1O[CH]([CH]
    (O)[CH]1O)n2cnc3c(C)ncnc23; Cc1c2c(ncn1)
    n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@H]
    (C)O)O)O; n2c1c(ncnc1n(c2)C3OC(C(O)C3O)C
    (O)C)C; Cc1c2c(ncn1)n(cn2)C3C(C(C(O3)C(C
    )O)O)O    		 9-(6-DEOXY-ALPHA-L-TALOFURANOSYL)-6-METHYLPURINE
    37020
    TAM
    DB04237    		 0 C7 H17 N O3 InChI=1S/C7H17NO3/c8-7(1-
    4-9,2-5-10)3-6-11/h9-11H,
    1-6,8H2;
    GKODZWOPPOTFGA-UHFFFAOYSA-N    		 OCCC(N)(CCO)CCO; NC(CCO)(CCO)CCO; C(CO)C
    (CCO)(CCO)N    		 TRIS(HYDROXYETHYL)AMINOMETHANE
    37021
    TAN
    ZINC000001587676    		 7 C5 H9 N InChI=1S/C5H9N/c1-5(2,3)4
    -6/h1-3H3;
    JAMNHZBIQDNHMM-UHFFFAOYSA-N    		 CC(C)(C)C#N 2,2-dimethylpropanenitrile;
    Trimethylacetonitrile
    37022
    TAO
    ZINC000263620715    		 0 C41 H67 N O15 InChI=1S/C41H67NO15/c1-19
    -17-41(18-49-41)38(46)23(
    5)34(53-27(9)43)21(3)25(7
    )52-39(47)24(6)35(56-32-1
    6-31(48-14)36(26(8)51-32)
    54-28(10)44)22(4)33(19)57
    -40-37(55-29(11)45)30(42(
    12)13)15-20(2)50-40/h19-2
    6,30-37,40H,15-18H2,1-14H
    3/t19-,20-,21+,22-,23-,24
    -,25-,26+,30+,31+,32+,33+
    ,34-,35+,36+,37-,40+,41-/
    m1/s1;
    LQCLVBQBTUVCEQ-CLPGKMRCSA-N    		 CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1OC(C)=O
    )O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)
    C[C@@H]([C@H]3OC(C)=O)N(C)C)[C@H](C)C[C@
    @]4(CO4)C(=O)[C@H](C)[C@H](OC(C)=O)[C@@H
    ](C)[C@@H](C)OC(=O)[C@@H]2C; CC1CC(C(C(O
    1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2
    C)OC4CC(C(C(O4)C)OC(=O)C)OC)C)C)C)OC(=O)
    C)C)C)OC(=O)C)N(C)C; CO[CH]1C[CH](O[CH](
    C)[CH]1OC(C)=O)O[CH]2[CH](C)[CH](O[CH]3O
    [CH](C)C[CH]([CH]3OC(C)=O)N(C)C)[CH](C)C
    [C]4(CO4)C(=O)[CH](C)[CH](OC(C)=O)[CH](C
    )[CH](C)OC(=O)[CH]2C; O=C(OC4C(N(C)C)CC(
    OC4OC3C(C(OC1OC(C(OC(=O)C)C(OC)C1)C)C(C(
    =O)OC(C)C(C)C(OC(=O)C)C(C(=O)C2(OC2)CC3C
    )C)C)C)C)C; C[C@@H]1C[C@@H]([C@H]([C@@H]
    (O1)O[C@H]2[C@@H](C[C@@]3(CO3)C(=O)[C@@H
    ]([C@@H]([C@H]([C@H](OC(=O)[C@@H]([C@H](
    [C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)
    C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N
    (C)C    		 TROLEANDOMYCIN;
    (3R,5S,6S,7R,8S,11S,12R,13S,14R,15S)-12-[(4-O-ACETYL-2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSYL)OXY]-14-{[2-O-ACETYL-3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-1,9-DIOXASPIRO[2.13]HEXADEC-6-YL ACETATE
    37023
    TAP
    CHEMBL1236188
    DB01763    		 10 C21 H28 N7 O16 P3 S InChI=1S/C21H28N7O16P3S/c
    22-17-12-19(25-7-24-17)28
    (8-26-12)21-16(43-45(32,3
    3)34)14(30)11(42-21)6-40-
    47(37,38)44-46(35,36)39-5
    -10-13(29)15(31)20(41-10)
    27-3-1-2-9(4-27)18(23)48/
    h1-4,7-8,10-11,13-16,20-2
    1,29-31H,5-6H2,(H7-,22,23
    ,24,25,32,33,34,35,36,37,
    38,48)/t10-,11-,13-,14-,1
    5-,16-,20-,21-/m1/s1;
    OJNFDOAQUXJWED-NNYOXOHSSA-N    		 c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](
    O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]
    3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP
    (=O)(O)O)O)O)O)C(=S)N; c1cc(c[n+](c1)C2C
    (C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(
    O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=S)
    N; NC(=S)c1ccc[n+](c1)[CH]2O[CH](CO[P]([
    O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P
    ](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O
    )[CH]2O; NC(=S)c1ccc[n+](c1)[C@@H]2O[C@H
    ](CO[P]([O-])(=O)O[P@@](O)(=O)OC[C@H]3O[
    C@H]([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c
    (N)ncnc45)[C@@H](O)[C@H]2O    		 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE;
    TATP
    37024
    TAQ
    CHEMBL6885
    DB02532
    ZINC000012343994    		 8 C8 H9 N5 InChI=1S/C8H9N5/c9-4-1-2-
    6-5(3-4)7(10)13-8(11)12-6
    /h1-3H,9H2,(H4,10,11,12,1
    3);
    LJBWEZVYRBKOCI-UHFFFAOYSA-N    		 Nc1ccc2nc(N)nc(N)c2c1; c1cc2c(cc1N)c(nc(
    n2)N)N; n2c1c(cc(cc1)N)c(nc2N)N    		 2,4,6-TRIAMINOQUINAZOLINE
    37025
    TAR
    CHEMBL1200861
    DB01694
    ZINC000000895296    		 8 C4 H6 O6 InChI=1S/C4H6O6/c5-1(3(7)
    8)2(6)4(9)10/h1-2,5-6H,(H
    ,7,8)(H,9,10)/t1-,2-/m0/s
    1;
    FEWJPZIEWOKRBE-LWMBPPNESA-N    		 O[C@@H]([C@H](O)C(O)=O)C(O)=O; O=C(O)C(O
    )C(O)C(=O)O; C(C(C(=O)O)O)(C(=O)O)O; O[C
    H]([CH](O)C(O)=O)C(O)=O; [C@H]([C@@H](C(
    =O)O)O)(C(=O)O)O    		 D(-)-TARTARIC ACID
    37026
    TAS
    CHEMBL1236189
    DB04456    		 11 As H3 O3 InChI=1S/AsH3O3/c2-1(3)4/
    h2-4H;
    GCPXMJHSNVMWNM-UHFFFAOYSA-N    		 O[As](O)O TRIHYDROXYARSENITE(III)
    37027
    TAT
    DB02355    		 21 C10 H16 N5 O12 P3 S InChI=1S/C10H16N5O12P3S/c
    11-8-5-9(13-2-12-8)15(3-1
    4-5)10-7(17)6(16)4(25-10)
    1-24-30(23,31)27-29(21,22
    )26-28(18,19)20/h2-4,6-7,
    10,16-17H,1H2,(H,21,22)(H
    ,23,31)(H2,11,12,13)(H2,1
    8,19,20)/t4-,6-,7-,10-,30
    -/m1/s1;
    ROYJKVPBJVNHCQ-AJBXOXQOSA-N    		 O=P(O)(O)OP(=O)(O)OP(=O)(S)OCC3OC(n2cnc1
    c(ncnc12)N)C(O)C3O; c1nc(c2c(n1)n(cn2)C3
    C(C(C(O3)COP(=O)(OP(=O)(O)OP(=O)(O)O)S)O
    )O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@
    @H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(
    O)O)S)O)O)N; Nc1ncnc2n(cnc12)[C@@H]3O[C@
    H](CO[P@](S)(=O)O[P](O)(=O)O[P](O)(O)=O)
    [C@@H](O)[C@H]3O; Nc1ncnc2n(cnc12)[CH]3O
    [CH](CO[P](S)(=O)O[P](O)(=O)O[P](O)(O)=O
    )[CH](O)[CH]3O    		 ADENOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE
    37028
    TAU
    CHEMBL239243
    DB01956
    ZINC000003809490    		 2 C2 H7 N O3 S InChI=1S/C2H7NO3S/c3-1-2-
    7(4,5)6/h1-3H2,(H,4,5,6);
    XOAAWQZATWQOTB-UHFFFAOYSA-N    		 C(CS(=O)(=O)O)N; O=S(=O)(O)CCN; NCC[S](O
    )(=O)=O    		 2-AMINOETHANESULFONIC ACID
    37029
    TAV
    DB01879
    ZINC000058661194    		 4 C32 H26 N2 O10 S2 InChI=1S/C32H26N2O10S2/c1
    -34(29(32(38)39)19-30(35)
    36)31(37)27-18-24(44-46(4
    2,43)26-14-11-21-7-3-5-9-
    23(21)17-26)12-15-28(27)3
    3-45(40,41)25-13-10-20-6-
    2-4-8-22(20)16-25/h2-18,2
    9,33H,19H2,1H3,(H,35,36)(
    H,38,39)/t29-/m0/s1;
    JOAALZBSMWLOPQ-LJAQVGFWSA-N    		 CN([C@@H](CC(O)=O)C(O)=O)C(=O)c1cc(O[S](
    =O)(=O)c2ccc3ccccc3c2)ccc1N[S](=O)(=O)c4
    ccc5ccccc5c4; O=S(=O)(Oc1cc(c(cc1)NS(=O)
    (=O)c3cc2ccccc2cc3)C(=O)N(C(C(=O)O)CC(=O
    )O)C)c5cc4ccccc4cc5; CN([CH](CC(O)=O)C(O
    )=O)C(=O)c1cc(O[S](=O)(=O)c2ccc3ccccc3c2
    )ccc1N[S](=O)(=O)c4ccc5ccccc5c4; CN(C(CC
    (=O)O)C(=O)O)C(=O)c1cc(ccc1NS(=O)(=O)c2c
    cc3ccccc3c2)OS(=O)(=O)c4ccc5ccccc5c4; CN
    ([C@@H](CC(=O)O)C(=O)O)C(=O)c1cc(ccc1NS(
    =O)(=O)c2ccc3ccccc3c2)OS(=O)(=O)c4ccc5cc
    ccc5c4    		 N-METHYL-N-{2-[(2-NAPHTHYLSULFONYL)AMINO]-5-[(2-NAPHTHYLSULFONYL)OXY]BENZOYL}-L-ASPARTIC ACID;
    (S)-2-{METHYL-[2-(NAPHTHALENE-2-SULFONYLAMINO)-5-(NAPHTHALENE-2-SULFONYLOXY)-BENZOYL]-AMINO}-SUCCINIC ACID
    37030
    TAW    		 0 C22 H22 N6 O3 InChI=1S/C22H22N6O3/c1-4-
    19(29)27-8-7-15(12-27)28-
    22-20(21(23)24-13-25-22)1
    8(26-28)6-5-14-9-16(30-2)
    11-17(10-14)31-3/h4,9-11,
    13,15H,1,7-8,12H2,2-3H3,(
    H2,23,24,25)/t15-/m1/s1;
    KEIPNCCJPRMIAX-OAHLLOKOSA-N    		 COc1cc(OC)cc(c1)C#Cc2nn([CH]3CCN(C3)C(=O
    )C=C)c4ncnc(N)c24; COc1cc(OC)cc(c1)C#Cc2
    nn([C@@H]3CCN(C3)C(=O)C=C)c4ncnc(N)c24;
    COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CCN
    (C4)C(=O)C=C)N; COc1cc(cc(c1)OC)C#Cc2c3c
    (ncnc3n(n2)[C@@H]4CCN(C4)C(=O)C=C)N    		 Futibatinib;
    TAS-120
    37031
    TAX    		 0 C26 H30 N O InChI=1S/C26H29NO/c1-4-25
    (21-11-7-5-8-12-21)26(22-
    13-9-6-10-14-22)23-15-17-
    24(18-16-23)28-20-19-27(2
    )3/h5-18H,4,19-20H2,1-3H3
    /p+1/b26-25+;
    NKANXQFJJICGDU-OCEACIFDSA-O    		 CCC(c1ccccc1)=C(c2ccccc2)c3ccc(OCC[NH+](
    C)C)cc3; CC/C(=C(/c1ccccc1)\c2ccc(cc2)OC
    C[NH+](C)C)/c3ccccc3; CC\C(c1ccccc1)=C(c
    2ccccc2)/c3ccc(OCC[NH+](C)C)cc3; O(c1ccc
    (cc1)\C(c2ccccc2)=C(\c3ccccc3)CC)CC[NH+]
    (C)C; CCC(=C(c1ccccc1)c2ccc(cc2)OCC[NH+]
    (C)C)c3ccccc3    		 (Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM;
    CIS FORM OF TAMOXIFEN
    37032
    TAY
    CHEMBL345235
    ZINC000000167037    		 2 C5 H11 N O InChI=1S/C5H11NO/c1-5(2,3
    )4(6)7/h1-3H3,(H2,6,7);
    XIPFMBOWZXULIA-UHFFFAOYSA-N    		 CC(C)(C)C(=O)N; CC(C)(C)C(N)=O 2,2-dimethylpropanamide;
    Trimethylacetamide
    37033
    TAZ
    ZINC000003831502    		 1 C10 H12 N4 O5 S InChI=1S/C10H12N4O5S/c1-1
    0(5-13-3-2-11-12-13)8(9(1
    6)17)14-6(15)4-7(14)20(10
    ,18)19/h2-3,7-8H,4-5H2,1H
    3,(H,16,17)/t7-,8-,10-/m0
    /s1;
    LPQZKKCYTLCDGQ-NRPADANISA-N    		 C[C]1(Cn2ccnn2)[CH](N3[CH](CC3=O)[S]1(=O
    )=O)C(O)=O; C[C@@]1([C@@H](N2[C@@H](S1(=
    O)=O)CC2=O)C(=O)O)Cn3ccnn3; CC1(C(N2C(S1
    (=O)=O)CC2=O)C(=O)O)Cn3ccnn3; C[C@]1(Cn2
    ccnn2)[C@@H](N3[C@H](CC3=O)[S]1(=O)=O)C(
    O)=O; O=S2(=O)C(C(N1C(=O)CC12)C(=O)O)(Cn
    3nncc3)C    		 TAZOBACTAM
    37034
    TB    		 33 Tb InChI=1S/Tb/q+3;
    HKCRVXUAKWXBLE-UHFFFAOYSA-N    		 [Tb+3] TERBIUM(III) ION
    37035
    TB0
    ZINC000058638507    		 3 C5 H9 N InChI=1S/C5H9N/c1-5(2,3)6
    -4/h1-3H3;
    FAGLEPBREOXSAC-UHFFFAOYSA-N    		 2-isocyano-2-methylpropane; CC(C)(C)[N+]
    #[C-]    		 tert-butyl isocyanide
    37036
    TB1
    CHEMBL79140
    ZINC000002506775    		 10 C11 H13 N O5 InChI=1S/C11H13NO5/c12-8(
    10(13)14)9(11(15)16)17-6-
    7-4-2-1-3-5-7/h1-5,8-9H,6
    ,12H2,(H,13,14)(H,15,16)/
    t8-,9-/m0/s1;
    BYOBCYXURWDEDS-IUCAKERBSA-N    		 c1ccc(cc1)COC(C(C(=O)O)N)C(=O)O; N[CH]([
    CH](OCc1ccccc1)C(O)=O)C(O)=O; c1ccc(cc1)
    CO[C@@H]([C@@H](C(=O)O)N)C(=O)O; O=C(O)C
    (N)C(OCc1ccccc1)C(=O)O; N[C@@H]([C@H](OC
    c1ccccc1)C(O)=O)C(O)=O    		 (3S)-3-(BENZYLOXY)-L-ASPARTIC ACID;
    D,L-THREO-BENZYLOXYASPARTATE
    37037
    TB2
    ZINC000019729371    		 12 C12 H16 O InChI=1S/C12H16O/c1-12(2,
    3)11-6-4-10(5-7-11)8-9-13
    /h4-7,9H,8H2,1-3H3;
    VMLYBYNXKMHLIJ-UHFFFAOYSA-N    		 CC(C)(C)c1ccc(CC=O)cc1; O=CCc1ccc(cc1)C(
    C)(C)C; CC(C)(C)c1ccc(cc1)CC=O    		 (4-tert-butylphenyl)acetaldehyde
    37038
    TB3
    ZINC000031719620    		 1 C10 H7 Br Cl N O3 InChI=1S/C10H7BrClNO3/c11
    -6-1-2-8(7(12)5-6)13-9(14
    )3-4-10(15)16/h1-5H,(H,13
    ,14)(H,15,16)/b4-3-;
    ARCZKZYKNUNGNI-ARJAWSKDSA-N    		 Brc1cc(Cl)c(NC(=O)\C=C/C(=O)O)cc1; c1cc(
    c(cc1Br)Cl)NC(=O)C=CC(=O)O; OC(=O)C=CC(=
    O)Nc1ccc(Br)cc1Cl; OC(=O)\C=C/C(=O)Nc1cc
    c(Br)cc1Cl; c1cc(c(cc1Br)Cl)NC(=O)/C=C\C
    (=O)O    		 (2Z)-4-(4-bromo-2-chloroanilino)-4-oxobut-2-enoic acid
    37039
    TB4
    CHEMBL3544913
    DB11706
    ZINC000034892269    		 1 C18 H19 F N2 O2 InChI=1S/C18H19FN2O2/c19-
    15-4-2-1-3-13(15)11-23-14
    -7-5-12(6-8-14)16-9-10-17
    (21-16)18(20)22/h1-8,16-1
    7,21H,9-11H2,(H2,20,22)/t
    16-,17+/m1/s1;
    JESCETIFNOFKEU-SJORKVTESA-N    		 NC(=O)[CH]1CC[CH](N1)c2ccc(OCc3ccccc3F)c
    c2; c1ccc(c(c1)COc2ccc(cc2)[C@H]3CC[C@H]
    (N3)C(=O)N)F; NC(=O)[C@@H]1CC[C@@H](N1)c
    2ccc(OCc3ccccc3F)cc2; c1ccc(c(c1)COc2ccc
    (cc2)C3CCC(N3)C(=O)N)F    		 Vixotrigine;
    (2~{S},5~{R})-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide
    37040
    TB5
    CHEMBL1496177
    ZINC000000452948    		 1 C14 H16 N2 O InChI=1S/C14H16N2O/c1-2-8
    -15(7-1)13-3-5-14(6-4-13)
    16-9-11-17-12-10-16/h1-8H
    ,9-12H2;
    VJGOAQUQJGASLY-UHFFFAOYSA-N    		 c1ccn(c1)c2ccc(cc2)N3CCOCC3; C1CN(CCO1)c
    2ccc(cc2)n3cccc3    		 4-(4-pyrrol-1-ylphenyl)morpholine;
    4-[4-(1H-pyrrol-1-yl)phenyl]morpholine
    37041
    TB6    		 10 C3 H9 O4 P InChI=1S/C3H9O4P/c1-3(4)2
    -8(5,6)7/h3-4H,2H2,1H3,(H
    2,5,6,7)/t3-/m1/s1;
    ZFVCONUOLQASEW-GSVOUGTGSA-N    		 C[C@H](CP(=O)(O)O)O; C[CH](O)C[P](O)(O)=
    O; CC(CP(=O)(O)O)O; C[C@@H](O)C[P](O)(O)
    =O; O=P(O)(O)CC(O)C    		 [(2R)-2-hydroxypropyl]phosphonic acid
    37042
    TB7
    ZINC000095920985    		 3 C15 H19 N5 O3 InChI=1S/C15H19N5O3/c1-15
    (2,3)23-14(22)20-7-9(8-20
    )17-13-18-11-10(12(21)19-
    13)5-4-6-16-11/h4-6,9H,7-
    8H2,1-3H3,(H2,16,17,18,19
    ,21);
    CKUDSTVQYFRZJW-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)N1CC(C1)NC2=Nc3c(cccn3)C(=
    O)N2; CC(C)(C)OC(=O)N1CC(C1)NC2=Nc3ncccc
    3C(=O)N2; O=C2c3cccnc3N=C(NC1CN(C(=O)OC(
    C)(C)C)C1)N2    		 TERT-BUTYL 3-[(4-OXO-3H-PYRIDO[2,3-D]PYRIMIDIN-2-YL)AMINO]AZETIDINE-1-CARBOXYLATE
    37043
    TB8
    CHEMBL2032251    		 4 C9 H8 Cl N O2 InChI=1S/C9H8ClNO2/c10-8-
    4-2-1-3-7(8)5-6-9(12)11-1
    3/h1-6,13H,(H,11,12)/b6-5
    +;
    HMGPSDPNANTYKH-AATRIKPKSA-N    		 ONC(=O)C=Cc1ccccc1Cl; ONC(=O)\C=C\c1cccc
    c1Cl; c1ccc(c(c1)C=CC(=O)NO)Cl; c1ccc(c(
    c1)/C=C/C(=O)NO)Cl    		 (~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide
    37044
    TB9
    CHEMBL293498
    DB08598    		 2 C16 H20 Cl N3 S InChI=1S/C16H20ClN3S/c1-1
    0(2)4-5-19-9-12-6-13(17)7
    -14-15(12)20(8-11(19)3)16
    (21)18-14/h4,6-7,11H,5,8-
    9H2,1-3H3,(H,18,21)/t11-/
    m0/s1;
    RCSLUNOLLUVOOG-NSHDSACASA-N    		 C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=C(C)C
    ; S=C2N3c1c(cc(Cl)cc1N2)CN(C(C3)C)C\C=C(
    /C)C; C[CH]1CN2C(=S)Nc3cc(Cl)cc(CN1CC=C(
    C)C)c23; CC1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=
    C(C)C; C[C@H]1CN2C(=S)Nc3cc(Cl)cc(CN1CC=
    C(C)C)c23    		 4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE
    37045
    TBA
    CHEMBL1236196
    DB01851
    ZINC000001706222    		 11 C16 H36 N InChI=1S/C16H36N/c1-5-9-1
    3-17(14-10-6-2,15-11-7-3)
    16-12-8-4/h5-16H2,1-4H3/q
    +1;
    DZLFLBLQUQXARW-UHFFFAOYSA-N    		 CCCC[N+](CCCC)(CCCC)CCCC TETRABUTYLAMMONIUM ION
    37046
    TBB
    ZINC000059077770    		 0 C5 H11 N O2 InChI=1S/C5H11NO2/c1-5(2,
    3)6-4(7)8/h6H,1-3H3,(H,7,
    8);
    XBXCNNQPRYLIDE-UHFFFAOYSA-N    		 O=C(O)NC(C)(C)C; CC(C)(C)NC(=O)O; CC(C)(
    C)NC(O)=O    		 tert-butylcarbamic acid
    37047
    TBC    		 0 C20 H16 O InChI=1S/C20H16O/c21-16-8
    -6-14-10-15-5-4-12-2-1-3-
    13-7-9-17(18(14)11-16)20(
    15)19(12)13/h1-5,7,9-10,1
    6,21H,6,8,11H2;
    WJDNKJGWMKTBJQ-UHFFFAOYSA-N    		 c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H](CC4)
    O; OC5Cc2c(cc1ccc4c3c1c2ccc3ccc4)CC5; OC
    1CCc2cc3ccc4cccc5ccc(c2C1)c3c45; c1cc2cc
    c3cc4c(c5c3c2c(c1)cc5)CC(CC4)O    		 (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE
    37048
    TBD
    ZINC000263620930    		 3 C10 H19 B N2 O10 P2 InChI=1S/C10H19BN2O10P2/c
    1-5-3-13(10(16)12-9(5)15)
    8-2-6(14)7(22-8)4-21-24(1
    1,17)23-25(18,19)20/h3,6-
    8,14,17H,2,4H2,1,11H3,(H,
    12,15,16)(H2,18,19,20)/t6
    -,7+,8+,24+/m0/s1;
    QDZZFSSDQOLCBV-TYNZIUOXSA-N    		 O=P(O)(O)O[P+](O)(OCC2OC(N1C(=O)NC(=O)C(
    =C1)C)CC2O)[BH3-]; [BH3-][P+](O)(OCC1C(C
    C(O1)N2C=C(C(=O)NC2=O)C)O)OP(=O)(O)O; [B
    H3-][P@@+](O)(OC[C@H]1O[C@H](C[C@@H]1O)N
    2C=C(C)C(=O)NC2=O)O[P](O)(O)=O; [BH3-][P
    @@+](O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(
    C(=O)NC2=O)C)O)OP(=O)(O)O; [BH3-][P+](O)
    (OC[CH]1O[CH](C[CH]1O)N2C=C(C)C(=O)NC2=O
    )O[P](O)(O)=O    		 2*-DEOXY-THYMIDINE-5*-ALPHA BORANO DIPHOSPHATE (ISOMER RP)
    37049
    TBE
    ZINC000103557701    		 22 C10 H14 N4 O5 S InChI=1S/C10H14N4O5S/c1-1
    0(20(18)19,7-14-5-4-12-13
    -14)8(9(16)17)11-3-2-6-15
    /h2-6,8,11,20H,7H2,1H3,(H
    ,16,17)/b3-2-/t8-,10-/m0/
    s1;
    ANZZKUOZZHRUQC-AARLMMRRSA-N    		 C[C](Cn1ccnn1)([CH](NC=CC=O)C(O)=O)[SH](
    =O)=O; CC(Cn1ccnn1)(C(C(=O)O)NC=CC=O)S(=
    O)=O; C[C@](Cn1ccnn1)([C@H](C(=O)O)N\C=C
    /C=O)S(=O)=O; C[C@](Cn1ccnn1)([C@@H](N\C
    =C/C=O)C(O)=O)[SH](=O)=O; O=S(=O)C(Cn1nn
    cc1)(C)C(C(=O)O)N/C=C\C=O    		 TAZOBACTAM INTERMEDIATE
    37050
    TBF
    CHEMBL1236200
    DB02768
    ZINC000004521135    		 2 C5 H10 O2 InChI=1S/C5H10O2/c1-5(2,3
    )7-4-6/h4H,1-3H3;
    RUPAXCPQAAOIPB-UHFFFAOYSA-N    		 O=COC(C)(C)C; CC(C)(C)OC=O TERT-BUTYL FORMATE;
    TERTIARY BUTOXY CARBONYL
    37051
    TBG
    ZINC000000164935    		 0 C6 H13 N O2 InChI=1S/C6H13NO2/c1-6(2,
    3)4(7)5(8)9/h4H,7H2,1-3H3
    ,(H,8,9)/t4-/m1/s1;
    NPDBDJFLKKQMCM-SCSAIBSYSA-N    		 CC(C)(C)[C@@H](C(=O)O)N; O=C(O)C(N)C(C)(
    C)C; CC(C)(C)[CH](N)C(O)=O; CC(C)(C)C(C(
    =O)O)N; CC(C)(C)[C@H](N)C(O)=O    		 3-methyl-L-valine
    37052
    TBH
    DB02977
    ZINC000038372366    		 1 C31 H47 N3 O9 InChI=1S/C31H47N3O9/c1-5-
    6-10-15-32-27(37)23(18-21
    -13-14-25(42-19-26(35)36)
    22(16-21)29(39)40)33-28(3
    8)24(17-20-11-8-7-9-12-20
    )34-30(41)43-31(2,3)4/h7-
    9,11-14,16,23-24,27-28,30
    ,32-34,37-38,41H,5-6,10,1
    5,17-19H2,1-4H3,(H,35,36)
    (H,39,40)/t23-,24-,27+,28
    -,30-/m0/s1;
    WVFJFYADATXBBE-JIFQQKSFSA-N    		 CCCCCN[CH](O)[CH](Cc1ccc(OCC(O)=O)c(c1)C
    (O)=O)N[CH](O)[CH](Cc2ccccc2)N[CH](O)OC(
    C)(C)C; CCCCCNC(C(Cc1ccc(c(c1)C(=O)O)OCC
    (=O)O)NC(C(Cc2ccccc2)NC(O)OC(C)(C)C)O)O;
    CCCCCN[C@@H]([C@H](Cc1ccc(c(c1)C(=O)O)O
    CC(=O)O)N[C@H]([C@H](Cc2ccccc2)N[C@@H](O
    )OC(C)(C)C)O)O; CCCCCN[C@H](O)[C@H](Cc1c
    cc(OCC(O)=O)c(c1)C(O)=O)N[C@@H](O)[C@H](
    Cc2ccccc2)N[C@@H](O)OC(C)(C)C; O=C(O)c1c
    c(ccc1OCC(=O)O)CC(NC(O)C(NC(O)OC(C)(C)C)
    Cc2ccccc2)C(O)NCCCCC    		 5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-3-HYDROXY-3-PENTYLAMINO-PROPYL)-2-CARBOXYMETHOXY-BENZOIC ACID;
    PNU177836
    37053
    TBI
    ZINC000096006090    		 1 C10 H14 N4 O5 S InChI=1S/C10H14N4O5S/c1-1
    0(20(18)19,7-14-5-4-12-13
    -14)8(9(16)17)11-3-2-6-15
    /h2-6,8,11,20H,7H2,1H3,(H
    ,16,17)/b3-2+/t8-,10-/m0/
    s1;
    ANZZKUOZZHRUQC-QZWDGIGVSA-N    		 C[C](Cn1ccnn1)([CH](NC=CC=O)C(O)=O)[SH](
    =O)=O; CC(Cn1ccnn1)(C(C(=O)O)NC=CC=O)S(=
    O)=O; C[C@](Cn1ccnn1)([C@H](C(=O)O)N\C=C
    \C=O)S(=O)=O; C[C@](Cn1ccnn1)([C@@H](N\C
    =C\C=O)C(O)=O)[SH](=O)=O; O=S(=O)C(Cn1nn
    cc1)(C)C(C(=O)O)N\C=C\C=O    		 TAZOBACTAM TRANS-ENAMINE INTERMEDIATE
    37054
    TBJ
    ZINC000030984716    		 2 C11 H20 N2 O2 InChI=1S/C11H20N2O2/c14-1
    1(13-9-4-1-2-5-9)12-8-10-
    6-3-7-15-10/h9-10H,1-8H2,
    (H2,12,13,14)/t10-/m1/s1;
    GZCFMEFTVSKHDE-SNVBAGLBSA-N    		 O=C(NC[C@H]1CCCO1)NC2CCCC2; C1CCC(C1)NC(
    =O)NCC2CCCO2; C1CCC(C1)NC(=O)NC[C@H]2CCC
    O2; O=C(NC[CH]1CCCO1)NC2CCCC2; C2C(NC(NC
    C1CCCO1)=O)CCC2    		 N-cyclopentyl-N'-{[(2R)-oxolan-2-yl]methyl}urea
    37055
    TBK    		 3 C32 H42 N6 O5 S InChI=1S/C32H42N6O5S/c1-4
    4(42,43)37-18-7-10-26(22-
    37)35-31(40)27(17-14-23-8
    -3-2-4-9-23)36-30(39)25-1
    5-12-24(13-16-25)20-34-32
    (41)28-21-33-29-11-5-6-19
    -38(28)29/h5-6,11-13,15-1
    6,19,21,23,26-27H,2-4,7-1
    0,14,17-18,20,22H2,1H3,(H
    ,34,41)(H,35,40)(H,36,39)
    /t26-,27-/m0/s1;
    WGMNFJAFXXXRLZ-SVBPBHIXSA-N    		 C[S](=O)(=O)N1CCC[C@@H](C1)NC(=O)[C@H](C
    CC2CCCCC2)NC(=O)c3ccc(CNC(=O)c4cnc5ccccn
    45)cc3; C[S](=O)(=O)N1CCC[CH](C1)NC(=O)[
    CH](CCC2CCCCC2)NC(=O)c3ccc(CNC(=O)c4cnc5
    ccccn45)cc3; CS(=O)(=O)N1CCC[C@@H](C1)NC
    (=O)[C@H](CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC
    (=O)c4cnc5n4cccc5; CS(=O)(=O)N1CCCC(C1)N
    C(=O)C(CCC2CCCCC2)NC(=O)c3ccc(cc3)CNC(=O
    )c4cnc5n4cccc5    		 ~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
    37056
    TBL
    DB08599
    ZINC000000091137    		 1 C10 H13 N O5 S InChI=1S/C10H13NO5S/c1-7(
    10(12)13)11-17(14,15)9-5-
    3-8(16-2)4-6-9/h3-7,11H,1
    -2H3,(H,12,13)/t7-/m1/s1;
    XTCIPBHRVYICGT-SSDOTTSWSA-N    		 C[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)OC; CO
    c1ccc(cc1)[S](=O)(=O)N[CH](C)C(O)=O; COc
    1ccc(cc1)[S](=O)(=O)N[C@H](C)C(O)=O; O=C
    (O)C(NS(=O)(=O)c1ccc(OC)cc1)C; CC(C(=O)O
    )NS(=O)(=O)c1ccc(cc1)OC    		 N-[(4-methoxyphenyl)sulfonyl]-D-alanine;
    (R)-2-(4-methoxyphenylsulfonamido)propanoic acid
    37057
    TBM    		 0 C11 H21 N O3 InChI=1S/C11H21NO3/c1-5-6
    -7-8(2)10(13)9(11(14)15)1
    2(3)4/h5-6,8-10,13H,7H2,1
    -4H3,(H,14,15)/b6-5+/t8-,
    9+,10-/m1/s1;
    COYQGLCTWTYPNM-RNWMEYJFSA-N    		 C\C=C\C[C@@H](C)[C@H]([C@@H](C(=O)O)N(C)
    C)O; C/C=C/C[C@@H](C)[C@@H](O)[C@H](N(C)
    C)C(O)=O; O=C(O)C(N(C)C)C(O)C(C/C=C/C)C;
    CC=CCC(C)C(C(C(=O)O)N(C)C)O; CC=CC[CH](
    C)[CH](O)[CH](N(C)C)C(O)=O    		 4-METHYL-4-[(E)-2-BUTENYL]-4,N-DIMETHYL-THREONINE
    37058
    TBN
    CHEMBL267099
    DB03172
    ZINC000003832269    		 21 C11 H14 N4 O4 InChI=1S/C11H14N4O4/c12-9
    -5-1-2-15(10(5)14-4-13-9)
    11-8(18)7(17)6(3-16)19-11
    /h1-2,4,6-8,11,16-18H,3H2
    ,(H2,12,13,14)/t6-,7-,8-,
    11-/m1/s1;
    HDZZVAMISRMYHH-KCGFPETGSA-N    		 c1cn(c2c1c(ncn2)N)C3C(C(C(O3)CO)O)O; Nc1
    ncnc2n(ccc12)[CH]3O[CH](CO)[CH](O)[CH]3O
    ; c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H](
    [C@H](O3)CO)O)O; Nc1ncnc2n(ccc12)[C@@H]3
    O[C@H](CO)[C@@H](O)[C@H]3O; OCC3OC(n2ccc
    1c(ncnc12)N)C(O)C3O    		 '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL;
    7-DEAZAADENOSINE
    37059
    TBO
    CHEMBL58711
    DB08600    		 2 C16 H20 Cl N3 S InChI=1S/C16H20ClN3S/c1-1
    0(2)6-7-19-9-12-13(17)4-5
    -14-15(12)20(8-11(19)3)16
    (21)18-14/h4-6,11H,7-9H2,
    1-3H3,(H,18,21)/t11-/m0/s
    1;
    ZNFFMCYSMBXZQU-NSHDSACASA-N    		 S=C2Nc1ccc(Cl)c3c1N2CC(N(C3)C\C=C(/C)C)C
    ; C[C@H]1CN2c3c(ccc(c3C[N@]1CC=C(C)C)Cl)
    NC2=S; CC1CN2c3c(ccc(c3CN1CC=C(C)C)Cl)NC
    2=S; C[CH]1CN2C(=S)Nc3ccc(Cl)c(CN1CC=C(C
    )C)c23; C[C@H]1CN2C(=S)Nc3ccc(Cl)c(CN1CC
    =C(C)C)c23    		 5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE;
    TBO 8;
    TIBO R86183
    37060
    TBP
    CHEMBL220087
    DB02417
    ZINC000000388234    		 8 C6 H3 Br3 O InChI=1S/C6H3Br3O/c7-3-1-
    4(8)6(10)5(9)2-3/h1-2,10H;
    BSWWXRFVMJHFBN-UHFFFAOYSA-N    		 Oc1c(Br)cc(Br)cc1Br; c1c(cc(c(c1Br)O)Br)
    Br; Brc1cc(Br)cc(Br)c1O    		 2,4,6-TRIBROMOPHENOL
    37061
    TBQ
    ZINC000000388873    		 1 C16 H22 Cl N3 O InChI=1S/C16H22ClN3O/c1-1
    5(2,3)16(21,10-20-12-18-1
    1-19-20)9-8-13-4-6-14(17)
    7-5-13/h4-7,11-12,21H,8-1
    0H2,1-3H3/t16-/m0/s1;
    PXMNMQRDXWABCY-INIZCTEOSA-N    		 CC(C)(C)C(CCc1ccc(cc1)Cl)(Cn2cncn2)O; CC
    (C)(C)[C@](O)(CCc1ccc(Cl)cc1)Cn2cncn2; C
    C(C)(C)[C@](CCc1ccc(cc1)Cl)(Cn2cncn2)O;
    CC(C)(C)[C](O)(CCc1ccc(Cl)cc1)Cn2cncn2    		 (3~{R})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol;
    (R)-tebuconazole
    37062
    TBR
    DB04119    		 84 Br12 Ta6 InChI=1S/12BrH.6Ta/h12*1H
    ;;;;;;/q;;;;;;;;;;;;;;;;;
    +1/p-1;
    YWYIQTPPCOBSGN-UHFFFAOYSA-M    		 Br[Ta]123456Br[Ta]17891%10[Ta]22%11(Br7)
    [Ta]337%12%13([Ta]484([Ta]923(Br%11)(Br1
    )(Br4)(Br7)Br%12)(Br5)(Br%10)Br%13)Br6;
    Br|1[Ta]|2|3|4|5|Br[Ta]|6|7|89%10|2|Br[T
    a]|%11|%12|%13|%14|1|3|6Br|[Ta]|%15|%16|
    %17|7|%11(Br|[Ta]|%18|4|%12|%15(Br|%13)(
    Br|%14)|Br[Ta]|5|8|%16|%18(|Br9)(Br)Br|%
    17)|Br%10    		 HEXATANTALUM DODECABROMIDE;
    DODECABROMOHEXATANTALUM
    37063
    TBS
    CHEMBL177820
    DB04462
    ZINC000003870968    		 8 C6 H Br4 N3 InChI=1S/C6HBr4N3/c7-1-2(
    8)4(10)6-5(3(1)9)11-13-12
    -6/h(H,11,12,13);
    OMZYUVOATZSGJY-UHFFFAOYSA-N    		 c12c(c(c(c(c1Br)Br)Br)Br)nn[nH]2; Brc2c1
    c(nnn1)c(Br)c(Br)c2Br; Brc1c(Br)c(Br)c2n
    n[nH]c2c1Br    		 4,5,6,7-TETRABROMOBENZOTRIAZOLE;
    TETRABROMO-2-BENZOTRIAZOLE
    37064
    TBT
    ZINC000033821527    		 0 C18 H16 O3 InChI=1S/C18H16O3/c19-16-
    9-12-8-14-11(7-15(12)17(2
    0)18(16)21)6-5-10-3-1-2-4
    -13(10)14/h1-8,16-21H,9H2
    /t16-,17-,18-/m0/s1;
    PJLYABOZZKPPFO-BZSNNMDCSA-N    		 c1ccc2c(c1)ccc3c2cc4c(c3)C(C(C(C4)O)O)O;
    O[CH]1Cc2cc3c(ccc4ccccc34)cc2[CH](O)[CH
    ]1O; O[C@H]1Cc2cc3c(ccc4ccccc34)cc2[C@H]
    (O)[C@H]1O; OC4c3c(cc1c(ccc2ccccc12)c3)C
    C(O)C4O; c1ccc2c(c1)ccc3c2cc4c(c3)[C@@H]
    ([C@H]([C@H](C4)O)O)O    		 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-8,9,10-TRIOL
    37065
    TBU
    CHEMBL16502
    DB03900
    ZINC000001680021    		 0 C4 H10 O InChI=1S/C4H10O/c1-4(2,3)
    5/h5H,1-3H3;
    DKGAVHZHDRPRBM-UHFFFAOYSA-N    		 CC(C)(C)O; OC(C)(C)C TERTIARY-BUTYL ALCOHOL;
    2-METHYL-2-PROPANOL
    37066
    TBV
    ZINC000058632780    		 1 C37 H46 N4 O6 InChI=1S/C37H46N4O6/c1-10
    -23-22(6)36(47-37(7,8)9)4
    1-30(23)17-28-21(5)26(13-
    15-34(44)45)32(39-28)18-3
    1-25(12-14-33(42)43)20(4)
    27(38-31)16-29-19(3)24(11
    -2)35(46)40-29/h10-11,16,
    38-39,41H,1-2,12-15,17-18
    H2,3-9H3,(H,40,46)(H,42,4
    3)(H,44,45)/b29-16-;
    JDQNAGCTUKHXGS-MWLSYYOVSA-N    		 Cc1c(c([nH]c1Cc2c(c(c([nH]2)OC(C)(C)C)C)
    C=C)Cc3c(c(c([nH]3)\C=C/4\C(=C(C(=O)N4)C
    =C)C)C)CCC(=O)O)CCC(=O)O; Cc1c(Cc2[nH]c(
    OC(C)(C)C)c(C)c2C=C)[nH]c(Cc3[nH]c(C=C4N
    C(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c1CCC(O)=
    O; Cc1c(c([nH]c1Cc2c(c(c([nH]2)OC(C)(C)C
    )C)C=C)Cc3c(c(c([nH]3)C=C4C(=C(C(=O)N4)C
    =C)C)C)CCC(=O)O)CCC(=O)O; Cc1c(Cc2[nH]c(
    OC(C)(C)C)c(C)c2C=C)[nH]c(Cc3[nH]c(\C=C4
    /NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c1CCC(O
    )=O    		 3-[2-[[3-(2-CARBOXYETHYL)-5-[[3-ETHENYL-4-METHYL-5-[(2-METHYLPROPAN-2-YL)OXY]-1H-PYRROL-2-YL]METHYL]-4-METHYL-1H-PYRROL -2-YL]METHYL]-5-[(Z)-(4-ETHENYL-3-METHYL-5-OXO-PYRROL-2-YLIDENE)METHYL]-4-METHYL-1H-PYRROL-3-YL]PROPANOIC ACID;
    BILIVERDIN
    37067
    TBW
    CHEMBL4741159    		 4 C11 H12 N4 O3 S2 InChI=1S/C11H12N4O3S2/c12
    -20(17,18)11-15-14-10(19-
    11)13-9(16)7-6-8-4-2-1-3-
    5-8/h1-5H,6-7H2,(H2,12,17
    ,18)(H,13,14,16);
    WHDSEJCOQPMZNM-UHFFFAOYSA-N    		 c1ccc(cc1)CCC(=O)Nc2nnc(s2)S(=O)(=O)N; N
    [S](=O)(=O)c1sc(NC(=O)CCc2ccccc2)nn1; O=
    S(N)(=O)c1nnc(NC(=O)CCc2ccccc2)s1    		 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
    37068
    TBX
    ZINC000000388872    		 1 C16 H22 Cl N3 O InChI=1S/C16H22ClN3O/c1-1
    5(2,3)16(21,10-20-12-18-1
    1-19-20)9-8-13-4-6-14(17)
    7-5-13/h4-7,11-12,21H,8-1
    0H2,1-3H3/t16-/m1/s1;
    PXMNMQRDXWABCY-MRXNPFEDSA-N    		 CC(C)(C)C(CCc1ccc(cc1)Cl)(Cn2cncn2)O; CC
    (C)(C)[C@@](CCc1ccc(cc1)Cl)(Cn2cncn2)O;
    CC(C)(C)[C](O)(CCc1ccc(Cl)cc1)Cn2cncn2;
    CC(C)(C)[C@@](O)(CCc1ccc(Cl)cc1)Cn2cncn2    		 (3~{S})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol;
    (S)-tebuconazole
    37069
    TBY
    DB08601
    ZINC000169743102    		 5 C12 H27 Sn InChI=1S/3C4H9.Sn.H/c3*1-
    3-4-2;;/h3*1,3-4H2,2H3;;;
    DBGVGMSCBYYSLD-UHFFFAOYSA-N    		 CCCC[Sn](CCCC)CCCC; [Sn](CCCC)(CCCC)CCCC tributylstannanyl;
    tributyltin
    37070
    TBZ    		 0 C32 H29 N8 O InChI=1S/C32H28N8O/c1-41-
    23-7-2-18(3-8-23)30-34-24
    -9-4-19(14-27(24)37-30)31
    -35-25-10-5-20(15-28(25)3
    8-31)32-36-26-11-6-22(16-
    29(26)39-32)40-13-12-21(3
    3)17-40/h2-11,14-16,21H,1
    2-13,17,33H2,1H3,(H,34,37
    )(H,35,38)(H,36,39)/p+1/t
    21-/m0/s1;
    MEDNUDGNJOXVKL-NRFANRHFSA-O    		 COc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc
    (ccc5n4)c6[nH]c7cc(ccc7n6)N8CCC(C8)[NH3+
    ]; COc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c
    5cc(ccc5n4)c6[nH]c7cc(ccc7n6)N8CC[CH]([N
    H3+])C8; COc1ccc(cc1)c2[nH]c3cc(ccc3n2)c
    4[nH]c5cc(ccc5n4)c6[nH]c7cc(ccc7n6)N8CC[
    C@H]([NH3+])C8; O(c1ccc(cc1)c3nc2ccc(cc2
    n3)c5nc4ccc(cc4n5)c6nc7c(n6)cc(cc7)N8CCC
    (C8)[NH3+])C; COc1ccc(cc1)c2[nH]c3cc(ccc
    3n2)c4[nH]c5cc(ccc5n4)c6[nH]c7cc(ccc7n6)
    [N@]8CC[C@@H](C8)[NH3+]    		 2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE;
    TRIBIZ;
    TRIS(BENZIMIDAZOLE) DERIVATIVE
    37071
    TC    		 0 C8 H11 N3 O7 P InChI=1S/C8H11N3O7P/c9-5-
    1-2-11(8(13)10-5)7-6(12)4
    (3-17-7)18-19(14,15)16/h1
    -2,4,6-7,12H,3H2,(H2,9,10
    ,13)(H,14,15,16)/t4-,6+,7
    +/m0/s1;
    QZXAIPJUSZWLSS-UBKIQSJTSA-N    		 NC1=NC(=O)N(C=C1)[CH]2OC[CH](O[P](O)(=O)
    =O)[CH]2O; C1C(C(C(O1)N2C=CC(=NC2=O)N)O)
    OP(=O)(=O)O; NC1=NC(=O)N(C=C1)[C@@H]2OC[
    C@H](O[P](O)(=O)=O)[C@H]2O; C1[C@@H]([C@
    H]([C@@H](O1)N2C=CC(=NC2=O)N)O)OP(=O)(=O
    )O    		 4-azanyl-1-[(2~{R},3~{R},4~{S})-3-oxidanyl-4-[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxy-oxolan-2-yl]pyrimidin-2-one
    37072
    TC0
    CHEMBL241232
    ZINC000006718826    		 2 C25 H24 N4 O2 InChI=1S/C25H24N4O2/c30-2
    1-11-12-22(24(31)13-21)17
    -3-5-18(6-4-17)23-14-25(2
    9-28-23)27-20-7-1-16(2-8-
    20)15-26-19-9-10-19/h1-8,
    11-14,19,26,30-31H,9-10,1
    5H2,(H2,27,28,29);
    GRGYFHNWICGOLR-UHFFFAOYSA-N    		 Oc1ccc(c(O)c1)c5ccc(c2cc(nn2)Nc3ccc(cc3)
    CNC4CC4)cc5; Oc1ccc(c(O)c1)c2ccc(cc2)c3[
    nH]nc(Nc4ccc(CNC5CC5)cc4)c3; c1cc(ccc1CN
    C2CC2)Nc3cc([nH]n3)c4ccc(cc4)c5ccc(cc5O)
    O    		 4'-[5-[[3-[(CYCLOPROPYLAMINO)METHYL]PHENYL]AMINO]-1H-PYRAZOL-3-YL]-[1,1'-BIPHENYL]-2,4-DIOL
    37073
    TC1
    ZINC000058632546    		 0 C15 H16 N3 O7 P S InChI=1S/C15H16N3O7PS/c19
    -9-5-13(25-10(9)7-24-26(2
    1,22)23)18-6-12-14(17-15(
    18)20)16-8-3-1-2-4-11(8)2
    7-12/h1-4,6,9-10,13,19H,5
    ,7H2,(H,16,17,20)(H2,21,2
    2,23)/t9-,10+,13+/m0/s1;
    JXJOUUOATWCAOY-OPQQBVKSSA-N    		 c1ccc2c(c1)NC3=NC(=O)N(C=C3S2)[C@H]4C[C@
    @H]([C@H](O4)COP(=O)(O)O)O; O[CH]1C[CH](
    O[CH]1CO[P](O)(O)=O)N2C=C3Sc4ccccc4NC3=N
    C2=O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)
    =O)N2C=C3Sc4ccccc4NC3=NC2=O; O=P(O)(O)OC
    C4OC(N2C(=O)N=C1Nc3c(SC1=C2)cccc3)CC4O;
    c1ccc2c(c1)NC3=NC(=O)N(C=C3S2)C4CC(C(O4)
    COP(=O)(O)O)O    		 3-(5-PHOSPHO-2-DEOXY-BETA-D-RIBOFURANOSYL)-2-OXO-1,3-DIAZA-PHENOTHIAZINE
    37074
    TC2
    ZINC000058661243    		 6 C26 H29 N5 O9 InChI=1S/C26H29N5O9/c32-1
    9-7-1-4-16(22(19)35)24(37
    )27-10-13-30(14-11-28-25(
    38)17-5-2-8-20(33)23(17)3
    6)15-12-29-26(39)18-6-3-9
    -21(34)31(18)40/h1-9,32-3
    3,35-36,40H,10-15H2,(H,27
    ,37)(H,28,38)(H,29,39);
    SHTLBAYLLAIJDF-UHFFFAOYSA-N    		 ON1C(=O)C=CC=C1C(=O)NCCN(CCNC(=O)c2cccc(
    O)c2O)CCNC(=O)c3cccc(O)c3O; c1cc(c(c(c1)
    O)O)C(=O)NCCN(CCNC(=O)c2cccc(c2O)O)CCNC(
    =O)C3=CC=CC(=O)N3O; O=C3C=CC=C(C(=O)NCCN
    (CCNC(=O)c1cccc(O)c1O)CCNC(=O)c2cccc(O)c
    2O)N3O    		 N-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide;
    Tren bis-2,3-catecholamido mono-N-hydroxypyridin-2-one-6-amide
    37075
    TC3
    ZINC000058638679    		 1 C3 H10 N O3 P InChI=1S/C3H10NO3P/c1-3-7
    -8(5,6)4-2/h3H2,1-2H3,(H2
    ,4,5,6);
    NQEUCALVQNPXMK-UHFFFAOYSA-N    		 CCO[P](O)(=O)NC; CCOP(=O)(NC)O; O=P(O)(O
    CC)NC; CCO[P@@](=O)(NC)O    		 ETHYL HYDROGEN METHYLAMIDOPHOSPHATE
    37076
    TC4
    ZINC000003871812    		 3 C17 H35 N2 O6 P InChI=1S/C17H35N2O6P/c1-4
    -7-10-18-16(20)23-13-15(1
    4-24-26(22)12-9-6-3)25-17
    (21)19-11-8-5-2/h15,26H,4
    -14H2,1-3H3,(H,18,20)(H,1
    9,21)/t15-/m1/s1;
    QWIXWBNJNKHHHW-OAHLLOKOSA-N    		 CCCCNC(=O)OC[CH](CO[PH](=O)CCCC)OC(=O)NC
    CCC; CCCCNC(=O)OC[C@H](CO[P@H](=O)CCCC)O
    C(=O)NCCCC; O=P(OCC(OC(=O)NCCCC)COC(=O)N
    CCCC)CCCC; CCCCNC(=O)OCC(COP(=O)CCCC)OC(
    =O)NCCCC    		 BUTYL-PHOSPHINIC ACID 2,3-BIS-BUTYLCARBAMOYLOXY-PROPYL ESTER GROUP
    37077
    TC5
    ZINC000058638682    		 1 C5 H14 N O3 P InChI=1S/C5H14NO3P/c1-3-5
    -6-10(7,8)9-4-2/h3-5H2,1-
    2H3,(H2,6,7,8);
    KZWTXXKNHNYEFB-UHFFFAOYSA-N    		 CCCN[P](O)(=O)OCC; O=P(O)(OCC)NCCC; CCCN
    P(=O)(O)OCC; CCCN[P@](=O)(O)OCC    		 ETHYL HYDROGEN PROPYLAMIDOPHOSPHATE
    37078
    TC6    		 2 C27 H40 N7 O17 P3 S InChI=1S/C27H44N7O17P3S/c
    1-4-5-6-7-18(36)55-11-10-
    29-17(35)8-9-30-25(39)22(
    38)27(2,3)13-48-54(45,46)
    51-53(43,44)47-12-16-21(5
    0-52(40,41)42)20(37)26(49
    -16)34-15-33-19-23(28)31-
    14-32-24(19)34/h6-7,14-16
    ,20-22,26,37-38H,4-5,8-13
    H2,1-3H3,(H,29,35)(H,30,3
    9)(H,43,44)(H,45,46)(H2,2
    8,31,32)(H2,40,41,42)/p-4
    /b7-6+/t16-,20-,21-,22+,2
    6-/m1/s1;
    OINXHIBNZUUIMR-IXUYQXAASA-J    		 CCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C
    )(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C
    @H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(
    =O)([O-])[O-])O; CCCC=CC(=O)SCCNC(=O)CCN
    C(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])O
    CC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-]
    )[O-])O; CCCC=CC(=O)SCCNC(=O)CCNC(=O)[CH
    ](O)C(C)(C)CO[P]([O-])(=O)O[P]([O-])(=O)
    OC[CH]1O[CH]([CH](O)[CH]1O[P]([O-])([O-]
    )=O)n2cnc3c(N)ncnc23; CCC/C=C/C(=O)SCCNC
    (=O)CCNC(=O)[C@H](O)C(C)(C)CO[P]([O-])(=
    O)O[P]([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[
    C@@H]1O[P]([O-])([O-])=O)n2cnc3c(N)ncnc2
    3    		 (2E)-Hexenoyl-CoA
    37079
    TC7
    CHEMBL109095
    ZINC000000002215    		 3 C6 H3 Cl3 O InChI=1S/C6H3Cl3O/c7-3-1-
    5(9)6(10)2-4(3)8/h1-2,10H;
    LHJGJYXLEPZJPM-UHFFFAOYSA-N    		 Clc1cc(O)c(Cl)cc1Cl; c1c(c(cc(c1Cl)Cl)Cl
    )O; Oc1cc(Cl)c(Cl)cc1Cl    		 2,4,5-trichlorophenol
    37080
    TC8
    CHEMBL1236215
    DB08602
    ZINC000039259369    		 1 C15 H10 F2 N2 O S InChI=1S/C15H10F2N2OS/c1-
    21-15-18-12-8-3-2-5-9(12)
    14(20)19(15)13-10(16)6-4-
    7-11(13)17/h2-8H,1H3;
    BFNBJSXMXXQLAW-UHFFFAOYSA-N    		 CSC1=Nc2ccccc2C(=O)N1c3c(F)cccc3F; Fc3cc
    cc(F)c3N1C(=O)c2c(N=C1SC)cccc2; CSC1=Nc2
    ccccc2C(=O)N1c3c(cccc3F)F    		 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one;
    3-(2,6-difluorophenyl)-2-(methylsulfanyl)quinazolin-4(3H)-one
    37081
    TC9    		 19 C37 H42 N2 O6 InChI=1S/C37H40N2O6/c1-38
    -14-12-24-19-32(42-4)33-2
    1-27(24)28(38)16-22-6-9-2
    6(10-7-22)44-37-35-25(20-
    34(43-5)36(37)41)13-15-39
    (2,3)29(35)17-23-8-11-30(
    40)31(18-23)45-33/h6-11,1
    8-21,28-29H,12-17H2,1-5H3
    ,(H-,40,41)/p+2/t28-,29+/
    m0/s1;
    JFJZZMVDLULRGK-URLMMPGGSA-P    		 COc1cc2CC[N+](C)(C)[CH]3Cc4ccc(O)c(Oc5cc
    6[CH](Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6
    cc5OC)c4; C[N@H+]1CCc2cc(c3cc2[C@@H]1Cc4
    ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@@H]6C
    c7ccc(c(c7)O3)O)(C)C)OC; C[NH+]1CCc2cc(c
    3cc2C1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]
    (C6Cc7ccc(c(c7)O3)O)(C)C)OC; COc1cc2CC[N
    +](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc
    7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4    		 D-TUBOCURARINE
    37082
    TCA
    CHEMBL27246
    DB18313
    ZINC000016051516    		 0 C9 H8 O2 InChI=1S/C9H8O2/c10-9(11)
    7-6-8-4-2-1-3-5-8/h1-7H,(
    H,10,11)/b7-6+;
    WBYWAXJHAXSJNI-VOTSOKGWSA-N    		 O=C(O)\C=C\c1ccccc1; OC(=O)\C=C\c1ccccc1
    ; c1ccc(cc1)C=CC(=O)O; c1ccc(cc1)\C=C\C(
    =O)O; OC(=O)C=Cc1ccccc1    		 PHENYLETHYLENECARBOXYLIC ACID
    37083
    TCB    		 0 C12 H22 O10 S InChI=1S/C12H22O10S/c13-1
    -3-5(15)6(16)9(19)12(22-3
    )23-10-4(2-14)21-11(20)8(
    18)7(10)17/h3-20H,1-2H2/t
    3-,4-,5-,6+,7-,8-,9-,10-,
    11-,12+/m1/s1;
    VDQIIPZYLPYPNM-QRZGKKJRSA-N    		 OC[CH]1O[CH](S[CH]2[CH](CO)O[CH](O)[CH](
    O)[CH]2O)[CH](O)[CH](O)[CH]1O; C(C1C(C(C
    (C(O1)SC2C(OC(C(C2O)O)O)CO)O)O)O)O; OC[C
    @H]1O[C@@H](S[C@@H]2[C@@H](CO)O[C@@H](O)
    [C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1
    O; C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1
    )S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O
    )CO)O)O)O)O; S(C1C(OC(O)C(O)C1O)CO)C2OC(
    C(O)C(O)C2O)CO    		 THIOCELLOBIOSE
    37084
    TCC
    ZINC000002047635    		 2 C12 H9 Cl2 N O InChI=1S/C12H9Cl2NO/c13-8
    -5-6-10(9(14)7-8)15-11-3-
    1-2-4-12(11)16/h1-7,15-16
    H;
    PPZLXGFYVBKTGK-UHFFFAOYSA-N    		 c1ccc(c(c1)Nc2ccc(cc2Cl)Cl)O; Oc1ccccc1N
    c2ccc(Cl)cc2Cl; Clc2cc(Cl)ccc2Nc1ccccc1O    		 2-(2,4-DICHLORO-PHENYLAMINO)-PHENOL
    37085
    TCD
    CHEMBL488803
    ZINC000001751810    		 4 C16 H8 Cl4 N2 O2 InChI=1S/C16H8Cl4N2O2/c17
    -9-5-13(19)15(21-7-9)23-1
    1-1-2-12(4-3-11)24-16-14(
    20)6-10(18)8-22-16/h1-8H;
    BAFKRPOFIYPKBQ-UHFFFAOYSA-N    		 c1cc(ccc1Oc2c(cc(cn2)Cl)Cl)Oc3c(cc(cn3)C
    l)Cl; Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2
    )c(Cl)c1; Clc3cc(Cl)cnc3Oc2ccc(Oc1ncc(Cl
    )cc1Cl)cc2    		 3,5-DICHLORO-2-{4-[(3,5-DICHLOROPYRIDIN-2-YL)OXY]PHENOXY}PYRIDINE
    37086
    TCE
    CHEMBL171512
    ZINC000002517013    		 30 C9 H15 O6 P InChI=1S/C9H15O6P/c10-7(1
    1)1-4-16(5-2-8(12)13)6-3-
    9(14)15/h1-6H2,(H,10,11)(
    H,12,13)(H,14,15);
    PZBFGYYEXUXCOF-UHFFFAOYSA-N    		 OC(=O)CCP(CCC(O)=O)CCC(O)=O; C(CP(CCC(=O
    )O)CCC(=O)O)C(=O)O; O=C(O)CCP(CCC(=O)O)C
    CC(=O)O    		 3,3',3''-phosphanetriyltripropanoic acid;
    3-[bis(2-carboxyethyl)phosphanyl]propanoic acid
    37087
    TCF    		 2 C9 H10 Br N O InChI=1S/C9H10BrNO/c10-8-
    4-1-7(2-5-8)3-6-9(11)12/h
    1-2,4-5H,3,6H2,(H2,11,12);
    MSYVIHNLCVUBFM-UHFFFAOYSA-N    		 Brc1ccc(cc1)CCC(=O)N; c1cc(ccc1CCC(=O)N)
    Br; NC(=O)CCc1ccc(Br)cc1    		 3-(4-BROMOPHENYL)PROPANAMIDE;
    PARA-BROMO-CIS-2-PHENYLCYCLOPROPYL-1-AMINE
    37088
    TCG    		 0 C33 H59 N4 O20 InChI=1S/C33H58N4O20/c1-1
    1(42)34-18-23(46)27(15(8-
    39)51-30(18)50)55-31-19(3
    5-12(2)43)24(47)28(16(9-4
    0)53-31)56-32-20(36-13(3)
    44)25(48)29(17(10-41)54-3
    2)57-33-21(37(4,5)6)26(49
    )22(45)14(7-38)52-33/h14-
    33,38-41,45-50H,7-10H2,1-
    6H3,(H2-,34,35,36,42,43,4
    4)/p+1/t14-,15-,16-,17-,1
    8-,19-,20-,21-,22-,23-,24
    -,25-,26-,27-,28-,29-,30-
    ,31+,32+,33+/m1/s1;
    WQUCMKJYZLSZGP-NDKNBMRYSA-O    		 O=C(NC4C(O)C(OC3OC(CO)C(OC2OC(C(OC1OC(C(
    O)C(O)C1[N+](C)(C)C)CO)C(O)C2NC(=O)C)CO)
    C(O)C3NC(=O)C)C(OC4O)CO)C; CC(=O)NC1C(C(
    C(OC1O)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3
    )CO)OC4C(C(C(C(O4)CO)O)O)[N+](C)(C)C)O)N
    C(=O)C)O)NC(=O)C)O; CC(=O)N[C@H]1[C@H](O
    )O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@
    H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@
    H](CO)[C@@H](O)[C@H](O)[C@H]4[N+](C)(C)C
    )[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(
    C)=O)[C@@H]1O; CC(=O)N[CH]1[CH](O)O[CH](
    CO)[CH](O[CH]2O[CH](CO)[CH](O[CH]3O[CH](
    CO)[CH](O[CH]4O[CH](CO)[CH](O)[CH](O)[CH
    ]4[N+](C)(C)C)[CH](O)[CH]3NC(C)=O)[CH](O
    )[CH]2NC(C)=O)[CH]1O; CC(=O)N[C@@H]1[C@H
    ]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]
    ([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H](
    [C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([
    C@H]([C@@H]([C@H](O4)CO)O)O)[N+](C)(C)C)
    O)NC(=O)C)O)NC(=O)C)O    		 2-deoxy-2-(trimethylammonio)-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acety lamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose;
    TMG-chitotriomycin
    37089
    TCH
    CHEMBL224867
    DB04348
    ZINC000008214684    		 64 C26 H45 N O7 S InChI=1S/C26H45NO7S/c1-15
    (4-7-23(31)27-10-11-35(32
    ,33)34)18-5-6-19-24-20(14
    -22(30)26(18,19)3)25(2)9-
    8-17(28)12-16(25)13-21(24
    )29/h15-22,24,28-30H,4-14
    H2,1-3H3,(H,27,31)(H,32,3
    3,34)/t15-,16+,17-,18-,19
    +,20+,21-,22+,24+,25+,26-
    /m1/s1;
    WBWWGRHZICKQGZ-HZAMXZRMSA-N    		 CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2
    C(CC4C3(CCC(C4)O)C)O)O)C; O=S(=O)(O)CCNC
    (=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(
    O)C23C)C; C[C@H](CCC(=O)NCC[S](O)(=O)=O)
    [C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C
    @H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C;
    C[CH](CCC(=O)NCC[S](O)(=O)=O)[CH]1CC[CH]
    2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]
    3C[CH](O)[C]12C; C[C@H](CCC(=O)NCCS(=O)(
    =O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3
    [C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)
    C)O)O)C    		 TAUROCHOLIC ACID
    37090
    TCI
    CHEMBL465
    DB00470
    ZINC000001530625    		 16 C21 H30 O2 InChI=1S/C21H30O2/c1-5-6-
    7-8-15-12-18(22)20-16-11-
    14(2)9-10-17(16)21(3,4)23
    -19(20)13-15/h11-13,16-17
    ,22H,5-10H2,1-4H3/t16-,17
    -/m1/s1;
    CYQFCXCEBYINGO-IAGOWNOFSA-N    		 CCCCCc1cc(O)c2[CH]3C=C(C)CC[CH]3C(C)(C)O
    c2c1; CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]
    3C(C)(C)Oc2c1; CCCCCc1cc(c2c(c1)OC([C@H]
    3[C@H]2C=C(CC3)C)(C)C)O; CCCCCc1cc(c2c(c
    1)OC(C3C2C=C(CC3)C)(C)C)O    		 (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol;
    Tetrahydrocannabinol
    37091
    TCJ    		 0 C13 H18 N3 O7 P InChI=1S/C13H18N3O7P/c1-6
    -5-16(11(17)15-9(6)14)8-4
    -12(18)2-7-3-13(7,10(12)2
    2-8)23-24(19,20)21/h5,7-8
    ,10,18H,2-4H2,1H3,(H2,14,
    15,17)(H2,19,20,21)/t7-,8
    -,10+,12+,13-/m1/s1;
    QNNOIYJQVYUYLR-ZIDZYHNGSA-N    		 CC1=CN([CH]2C[C]3(O)C[CH]4C[C]4(O[P](O)(
    O)=O)[CH]3O2)C(=O)N=C1N; CC1=CN(C(=O)N=C
    1N)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2
    )OP(=O)(O)O)O; CC1=CN([C@H]2C[C@@]3(O)C[
    C@@H]4C[C@]4(O[P](O)(O)=O)[C@H]3O2)C(=O)
    N=C1N; CC1=CN(C(=O)N=C1N)C2CC3(CC4CC4(C3
    O2)OP(=O)(O)O)O    		 [(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate
    37092
    TCK
    CHEMBL466465
    DB08603
    ZINC000001532775    		 9 C14 H21 Cl N2 O3 S InChI=1S/C14H21ClN2O3S/c1
    -11-5-7-12(8-6-11)21(19,2
    0)17-13(14(18)10-15)4-2-3
    -9-16/h5-8,13,17H,2-4,9-1
    0,16H2,1H3/t13-/m0/s1;
    RDFCSSHDJSZMTQ-ZDUSSCGKSA-N    		 Cc1ccc(cc1)[S](=O)(=O)N[C@@H](CCCCN)C(=O
    )CCl; Cc1ccc(cc1)S(=O)(=O)NC(CCCCN)C(=O)
    CCl; O=S(=O)(NC(C(=O)CCl)CCCCN)c1ccc(cc1
    )C; Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(
    =O)CCl; Cc1ccc(cc1)[S](=O)(=O)N[CH](CCCC
    N)C(=O)CCl    		 N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide;
    Tos-Lys-CH2Cl
    37093
    TCL
    CHEMBL849
    DB08604
    ZINC000000002216    		 121 C12 H7 Cl3 O2 InChI=1S/C12H7Cl3O2/c13-7
    -1-3-11(9(15)5-7)17-12-4-
    2-8(14)6-10(12)16/h1-6,16
    H;
    XEFQLINVKFYRCS-UHFFFAOYSA-N    		 Clc2cc(Cl)ccc2Oc1ccc(Cl)cc1O; c1cc(c(cc1
    Cl)O)Oc2ccc(cc2Cl)Cl; Oc1cc(Cl)ccc1Oc2cc
    c(Cl)cc2Cl    		 TRICLOSAN
    37094
    TCM
    DB02851
    ZINC000002028342    		 1 C10 H16 S InChI=1S/C10H16S/c1-9(2)7
    -4-5-10(9,3)8(11)6-7/h7H,
    4-6H2,1-3H3/t7-,10+/m1/s1;
    AAADKYXUTOBAGS-XCBNKYQSSA-N    		 CC1([C@@H]2CC[C@]1(C(=S)C2)C)C; CC1(C)[C
    H]2CC[C]1(C)C(=S)C2; CC1(C2CCC1(C(=S)C2)
    C)C; CC1(C)[C@@H]2CC[C@@]1(C)C(=S)C2; S=
    C1CC2CCC1(C)C2(C)C    		 THIOCAMPHOR
    37095
    TCN    		 0 C4 N4 Ni InChI=1S/4CN.Ni/c4*1-2;/q
    ;;;;-2;
    FUWOSUXMFKRUSS-UHFFFAOYSA-N    		 N#C[Ni-2](C#N)(C#N)C#N; C(#N)[Ni-2](C#N)
    (C#N)C#N; N#C[Ni--](C#N)(C#N)C#N    		 TETRACYANONICKELATE ION
    37096
    TCO
    CHEMBL92567
    DB04523    		 1 C13 H23 N O3 InChI=1S/C13H23NO3/c1-13(
    2,3)17-12(16)14-11(9-15)1
    0-7-5-4-6-8-10/h9-11H,4-8
    H2,1-3H3,(H,14,16)/t11-/m
    1/s1;
    BDSGOSWEKUGHOV-LLVKDONJSA-N    		 CC(C)(C)OC(=O)NC(C=O)C1CCCCC1; O=C(OC(C)
    (C)C)NC(C=O)C1CCCCC1; CC(C)(C)OC(=O)N[CH
    ](C=O)C1CCCCC1; CC(C)(C)OC(=O)N[C@H](C=O
    )C1CCCCC1    		 TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE
    37097
    TCP
    ZINC000006667024    		 2 C11 H16 N2 O5 InChI=1S/C11H16N2O5/c1-6-
    4-13(11(16)12-10(6)15)9-3
    -7(14)8(18-9)5-17-2/h4,7-
    9,14H,3,5H2,1-2H3,(H,12,1
    5,16)/t7-,8+,9+/m0/s1;
    KTCKNHCDUKONFQ-DJLDLDEBSA-N    		 CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC)O; CC1=C
    N(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC)
    O; O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)COC; CO
    C[C@H]1O[C@H](C[C@@H]1O)N2C=C(C)C(=O)NC2
    =O; COC[CH]1O[CH](C[CH]1O)N2C=C(C)C(=O)N
    C2=O    		 5'-METHYLTHYMIDINE
    37098
    TCQ    		 0 C18 H19 N2 O4 InChI=1S/C18H18N2O4/c19-1
    3(18(23)24)6-11-7-15(17(2
    2)9-16(11)21)20-14-8-12(1
    4)10-4-2-1-3-5-10/h1-5,7,
    9,12-14,22H,6,8,19H2,(H,2
    3,24)/p+1/b20-15+/t12-,13
    +,14+/m1/s1;
    VSWJBNYRCGPQPJ-SYLCOIDOSA-O    		 N[C@@H](CC1=CC(=[NH+][C@H]2C[C@@H]2c3ccc
    cc3)C(=CC1=O)O)C(O)=O; c1ccc(cc1)C2CC2[N
    H+]=C3C=C(C(=O)C=C3O)CC(C(=O)O)N; N[CH](
    CC1=CC(=[NH+][CH]2C[CH]2c3ccccc3)C(=CC1=
    O)O)C(O)=O; O=C(O)C(N)CC=3C(=O)C=C(O)\C(
    =[NH+]\C2CC2c1ccccc1)C=3; c1ccc(cc1)[C@H
    ]2C[C@@H]2/[NH+]=C/3\C=C(C(=O)C=C3O)C[C@
    @H](C(=O)O)N    		 (1S,2R)-N-{(1E)-5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene}-2-phenylcyclopropanaminium
    37099
    TCR
    CHEMBL155546
    ZINC000000037835    		 20 C12 H12 N2 O2 InChI=1S/C12H12N2O2/c15-1
    2(16)10-5-8-7-3-1-2-4-9(7
    )14-11(8)6-13-10/h1-4,10,
    13-14H,5-6H2,(H,15,16)/t1
    0-/m0/s1;
    FSNCEEGOMTYXKY-JTQLQIEISA-N    		 OC(=O)[CH]1Cc2c(CN1)[nH]c3ccccc23; c1ccc
    2c(c1)c3c([nH]2)CN[C@@H](C3)C(=O)O; OC(=
    O)[C@@H]1Cc2c(CN1)[nH]c3ccccc23; O=C(O)C
    3NCc1c(c2c(n1)cccc2)C3; c1ccc2c(c1)c3c([
    nH]2)CNC(C3)C(=O)O    		 CYCLOMETHYLTRYPTOPHAN
    37100
    TCT
    ZINC000002047609    		 2 C16 H11 Cl O3 InChI=1S/C16H11ClO3/c17-1
    2-3-6-16(15(19)9-12)20-14
    -5-2-10-7-13(18)4-1-11(10
    )8-14/h1-9,18-19H;
    JPSDMABQCFCGLC-UHFFFAOYSA-N    		 Oc1ccc2cc(Oc3ccc(Cl)cc3O)ccc2c1; c1cc(cc
    2c1cc(cc2)Oc3ccc(cc3O)Cl)O; Clc3cc(O)c(O
    c2cc1ccc(O)cc1cc2)cc3    		 6-(4-CHLORO-2-HYDROXY-PHENOXY)-NAPHTHALEN-2-OL
    37101
    TCU
    CHEMBL1236225
    ZINC000058632782    		 19 C19 H24 O2 InChI=1S/C19H24O2/c1-3-4-
    5-6-10-16-12-13-19(17(20)
    14-16)21-18-11-8-7-9-15(1
    8)2/h7-9,11-14,20H,3-6,10
    H2,1-2H3;
    KSWHNTPMGZKIOB-UHFFFAOYSA-N    		 O(c1c(cccc1)C)c2ccc(cc2O)CCCCCC; CCCCCCc
    1ccc(c(c1)O)Oc2ccccc2C; CCCCCCc1ccc(Oc2c
    cccc2C)c(O)c1    		 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL;
    2-(O-TOLYLOXY)-5-HEXYLPHENOL
    37102
    TCV
    CHEMBL279816
    DB13323
    ZINC000008214699    		 1 C2 H Cl3 InChI=1S/C2HCl3/c3-1-2(4)
    5/h1H;
    XSTXAVWGXDQKEL-UHFFFAOYSA-N    		 ClC=C(Cl)Cl; Cl[C@H]=C(Cl)Cl; C(=C(Cl)Cl
    )Cl    		 1,1,2-trichloroethene
    37103
    TCW
    CHEMBL1324
    DB00323
    ZINC000035342789    		 18 C14 H11 N O5 InChI=1S/C14H11NO5/c1-8-2
    -4-9(5-3-8)13(17)10-6-11(
    15(19)20)14(18)12(16)7-10
    /h2-7,16,18H,1H3;
    MIQPIUSUKVNLNT-UHFFFAOYSA-N    		 Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)
    [O-]; [O-][N+](=O)c2cc(C(=O)c1ccc(cc1)C)
    cc(O)c2O; Cc1ccc(cc1)C(=O)c2cc(O)c(O)c(c
    2)[N+]([O-])=O    		 Tolcapone;
    (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone
    37104
    TCX
    CHEMBL38354
    ZINC000029334790    		 2 C2 H8 N O3 P InChI=1S/C2H8NO3P/c1-2-3-
    7(4,5)6/h2H2,1H3,(H3,3,4,
    5,6);
    CHKLMRVHXLBIHM-UHFFFAOYSA-N    		 O=P(O)(O)NCC; CCNP(=O)(O)O; CCN[P](O)(O)
    =O    		 ethylphosphoramidic acid
    37105
    TCY
    ZINC000058649494    		 0 C13 H16 N5 O6 P InChI=1S/C13H16N5O6P/c14-
    9-8-10(16-4-15-9)18(5-17-
    8)7-3-12(19)1-6-2-13(6,11
    (12)23-7)24-25(20,21)22/h
    4-7,11,19H,1-3H2,(H2,14,1
    5,16)(H2,20,21,22)/t6-,7-
    ,11+,12+,13-/m1/s1;
    JGNCWNRBYLPXHE-CZUHXBHISA-N    		 Nc1ncnc2n(cnc12)[CH]3C[C]4(O)C[CH]5C[C]5
    (O[P](O)(O)=O)[CH]4O3; c1nc(c2c(n1)n(cn2
    )C3CC4(CC5CC5(C4O3)OP(=O)(O)O)O)N; Nc1nc
    nc2n(cnc12)[C@H]3C[C@@]4(O)C[C@@H]5C[C@]
    5(O[P](O)(O)=O)[C@H]4O3; c1nc(c2c(n1)n(c
    n2)[C@H]3C[C@]4(C[C@@H]5C[C@@]5([C@H]4O3
    )OP(=O)(O)O)O)N; O=P(O)(O)OC54CC5CC3(O)C
    4OC(n1c2ncnc(N)c2nc1)C3    		 (2R,3aS,4aR,5aR,5bS)-2-(6-amino-9H-purin-9-yl)-3a-hydroxyhexahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-5a(4H)-yl dihydrogen phosphate
    37106
    TCZ
    CHEMBL44228
    DB03836
    ZINC000000391973    		 3 C6 H3 Cl3 InChI=1S/C6H3Cl3/c7-4-1-5
    (8)3-6(9)2-4/h1-3H;
    XKEFYDZQGKAQCN-UHFFFAOYSA-N    		 Clc1cc(Cl)cc(Cl)c1; c1c(cc(cc1Cl)Cl)Cl 1,3,5-TRICHLORO-BENZENE
    37107
    TD1
    ZINC000095920670    		 1 C13 H16 N2 O8 InChI=1S/C13H16N2O8/c14-7
    (4-16)13(22)23-5-8(12(20)
    21)15-11(19)6-2-1-3-9(17)
    10(6)18/h1-3,7-8,16-18H,4
    -5,14H2,(H,15,19)(H,20,21
    )/t7-,8-/m0/s1;
    NNOZTAPXJBUXBD-YUMQZZPRSA-N    		 N[C@@H](CO)C(=O)OC[C@H](NC(=O)c1cccc(O)c
    1O)C(O)=O; N[CH](CO)C(=O)OC[CH](NC(=O)c1
    cccc(O)c1O)C(O)=O; c1cc(c(c(c1)O)O)C(=O)
    NC(COC(=O)C(CO)N)C(=O)O; c1cc(c(c(c1)O)O
    )C(=O)N[C@@H](COC(=O)[C@H](CO)N)C(=O)O;
    O=C(O)C(NC(=O)c1cccc(O)c1O)COC(=O)C(N)CO    		 O-[(2S)-2-amino-3-hydroxypropanoyl]-N-(2,3-dihydroxybenzoyl)-L-serine
    37108
    TD2
    CHEMBL4297442
    DB12895
    ZINC000208938373    		 14 C28 H30 F2 N6 O8 S InChI=1S/C28H30F2N6O8S/c2
    9-15-5-1-3-13(7-15)17-9-3
    5(33-31-17)21-23(39)19(11
    -37)43-27(25(21)41)45-28-
    26(42)22(24(40)20(12-38)4
    4-28)36-10-18(32-34-36)14
    -4-2-6-16(30)8-14/h1-10,1
    9-28,37-42H,11-12H2/t19-,
    20-,21+,22+,23+,24+,25-,2
    6-,27+,28+/m1/s1;
    YGIDGBAHDZEYMT-MQFIMZJJSA-N    		 c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](
    O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H
    ]([C@H](O4)CO)O)n5cc(nn5)c6cccc(c6)F)O)C
    O)O; OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[
    C@H](O)[C@@H]([C@H]2O)n3cc(nn3)c4cccc(F)
    c4)[C@H](O)[C@H]([C@H]1O)n5cc(nn5)c6cccc
    (F)c6; C3(C(C(n1cc(nn1)c2cc(ccc2)F)C(O)C
    (CO)O3)O)SC4C(C(C(C(O4)CO)O)n6cc(c5cc(F)
    ccc5)nn6)O; OC[CH]1O[CH](S[CH]2O[CH](CO)
    [CH](O)[CH]([CH]2O)n3cc(nn3)c4cccc(F)c4)
    [CH](O)[CH]([CH]1O)n5cc(nn5)c6cccc(F)c6;
    c1cc(cc(c1)F)c2cn(nn2)C3C(C(OC(C3O)SC4C
    (C(C(C(O4)CO)O)n5cc(nn5)c6cccc(c6)F)O)CO
    )O    		 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside
    37109
    TD3
    CHEMBL1236227
    ZINC000058638509    		 8 C6 H14 N O7 P InChI=1S/C6H14NO7P/c8-4-2
    -1-3-7(10)6(9)5-14-15(11,
    12)13/h8,10H,1-5H2,(H2,11
    ,12,13);
    XYJLIJWOOPZDNB-UHFFFAOYSA-N    		 OCCCCN(O)C(=O)CO[P](O)(O)=O; C(CCO)CN(C(
    =O)COP(=O)(O)O)O; O=P(OCC(=O)N(O)CCCCO)(
    O)O    		 2-[hydroxy(4-hydroxybutyl)amino]-2-oxoethyl dihydrogen phosphate
    37110
    TD4
    CHEMBL1236228
    ZINC000058638510    		 4 C6 H15 N O10 P2 InChI=1S/C6H15NO10P2/c8-6
    (5-17-19(13,14)15)7(9)3-1
    -2-4-16-18(10,11)12/h9H,1
    -5H2,(H2,10,11,12)(H2,13,
    14,15);
    GZQWGEFAYHQQKX-UHFFFAOYSA-N    		 C(CCOP(=O)(O)O)CN(C(=O)COP(=O)(O)O)O; ON
    (CCCCO[P](O)(O)=O)C(=O)CO[P](O)(O)=O; O=
    P(O)(O)OCC(=O)N(O)CCCCOP(=O)(O)O    		 4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate
    37111
    TD5
    ZINC000030725630    		 16 C16 H25 N4 O10 P2 S InChI=1S/C16H24N4O10P2S/c
    1-9-13(5-6-29-32(27,28)30
    -31(24,25)26)33-16(12(21)
    3-4-14(22)23)20(9)8-11-7-
    18-10(2)19-15(11)17/h7,12
    ,21H,3-6,8H2,1-2H3,(H5-,1
    7,18,19,22,23,24,25,26,27
    ,28)/p+1/t12-/m1/s1;
    ZWUKRGPVMMTMAF-GFCCVEGCSA-O    		 Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(
    O)=O)sc2[CH](O)CCC(O)=O)c(N)n1; Cc1c(sc(
    [n+]1Cc2cnc(nc2N)C)C(CCC(=O)O)O)CCOP(=O)
    (O)OP(=O)(O)O; Cc1ncc(C[n+]2c(C)c(CCO[P]
    (O)(=O)O[P](O)(O)=O)sc2[C@H](O)CCC(O)=O)
    c(N)n1; Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H
    ](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O    		 (4~{R})-4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-4-oxidanyl-butanoic acid
    37112
    TD6    		 145 C16 H25 N4 O10 P2 S InChI=1S/C16H26N4O10P2S/c
    1-9-13(5-6-29-32(27,28)30
    -31(24,25)26)33-16(12(21)
    3-4-14(22)23)20(9)8-11-7-
    18-10(2)19-15(11)17/h7,12
    ,20-21H,3-6,8H2,1-2H3,(H,
    22,23)(H,27,28)(H2,17,18,
    19)(H2,24,25,26)/t12-/m0/
    s1;
    RWCNVMPVYGBSHH-LBPRGKRZSA-N    		 Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(
    O)=O)sc2[CH](O)CCC(O)=O)c(N)n1; Cc1c(sc(
    [n+]1Cc2cnc(nc2N)C)C(CCC(=O)O)O)CCOP(=O)
    (O)OP(=O)(O)O; O=C(O)CCC(O)c1sc(c(n1Cc2c
    nc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O; Cc1nc
    c(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)
    sc2[C@@H](O)CCC(O)=O)c(N)n1; Cc1c(sc([n+
    ]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O
    )(O)OP(=O)(O)O    		 (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid
    37113
    TD7
    ZINC000103557812    		 16 C16 H24 N4 O10 P2 S InChI=1S/C16H24N4O10P2S/c
    1-9-13(5-6-29-32(27,28)30
    -31(24,25)26)33-16(12(21)
    3-4-14(22)23)20(9)8-11-7-
    18-10(2)19-15(11)17/h7,21
    H,3-6,8H2,1-2H3,(H,22,23)
    (H,27,28)(H2,17,18,19)(H2
    ,24,25,26)/b16-12+;
    VGWJMSNWDAXPBE-FOWTUZBSSA-N    		 O=P(O)(O)OP(=O)(O)OCCC=1S\C(=C(\O)CCC(=O
    )O)N(C=1C)Cc2cnc(nc2N)C; Cc1ncc(c(n1)N)C
    N2C(=C(SC2=C(CCC(=O)O)O)CCOP(=O)(O)OP(=O
    )(O)O)C; Cc1ncc(CN2C(=C(CCO[P](O)(=O)O[P
    ](O)(O)=O)SC2=C(O)CCC(O)=O)C)c(N)n1; Cc1
    ncc(CN2C(=C(CCO[P](O)(=O)O[P](O)(O)=O)S\
    C2=C(\O)CCC(O)=O)C)c(N)n1; Cc1ncc(c(n1)N
    )CN2C(=C(SC2=C(CCC(=O)O)O)CCO[P@](=O)(O)
    OP(=O)(O)O)C    		 (4E)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-2(3H)-ylidene}-4-hydroxybutanoic acid
    37114
    TD8    		 8 C17 H27 N4 O10 P2 S InChI=1S/C17H26N4O10P2S/c
    1-10-14(6-7-30-33(28,29)3
    1-32(25,26)27)34-17(13(22
    )4-3-5-15(23)24)21(10)9-1
    2-8-19-11(2)20-16(12)18/h
    8,13,22H,3-7,9H2,1-2H3,(H
    5-,18,19,20,23,24,25,26,2
    7,28,29)/p-3/t13-/m1/s1;
    WMOBQHPEAJZBCW-CYBMUJFWSA-K    		 Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CCCC(=
    O)O)O)CCOP(=O)(O)OP(=O)(O)O; Cc1ncc(C[n+
    ]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C@
    H](O)CCCC(O)=O)c(N)n1; Cc1ncc(C[n+]2c(C)
    c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[CH](O)CC
    CC(O)=O)c(N)n1; Cc1c(sc([n+]1Cc2cnc(nc2N
    )C)C(CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O;
    [O-]C(=O)CCCC(O)c1sc(c([n+]1Cc2cnc(nc2N)
    C)C)CCOP([O-])(=O)OP([O-])([O-])=O    		 (5R)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate
    37115
    TD9    		 8 C17 H27 N4 O10 P2 S InChI=1S/C17H26N4O10P2S/c
    1-10-14(6-7-30-33(28,29)3
    1-32(25,26)27)34-17(13(22
    )4-3-5-15(23)24)21(10)9-1
    2-8-19-11(2)20-16(12)18/h
    8,13,22H,3-7,9H2,1-2H3,(H
    5-,18,19,20,23,24,25,26,2
    7,28,29)/p-3/t13-/m0/s1;
    WMOBQHPEAJZBCW-ZDUSSCGKSA-K    		 Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCCC(=O
    )O)O)CCOP(=O)(O)OP(=O)(O)O; Cc1ncc(C[n+]
    2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C@@
    H](O)CCCC(O)=O)c(N)n1; Cc1ncc(C[n+]2c(C)
    c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[CH](O)CC
    CC(O)=O)c(N)n1; Cc1c(sc([n+]1Cc2cnc(nc2N
    )C)C(CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O;
    [O-]C(=O)CCCC(O)c1sc(c([n+]1Cc2cnc(nc2N)
    C)C)CCOP([O-])(=O)OP([O-])([O-])=O    		 (5S)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate
    37116
    TDA
    CHEMBL107874
    DB02448
    ZINC000001628119    		 10 C13 H26 O2 InChI=1S/C13H26O2/c1-2-3-
    4-5-6-7-8-9-10-11-12-13(1
    4)15/h2-12H2,1H3,(H,14,15
    );
    SZHOJFHSIKHZHA-UHFFFAOYSA-N    		 CCCCCCCCCCCCC(=O)O; CCCCCCCCCCCCC(O)=O;
    O=C(O)CCCCCCCCCCCC    		 N-TRIDECANOIC ACID
    37117
    TDB
    CHEMBL174539
    DB08605    		 6 C9 H13 B N2 O3 S2 InChI=1S/C9H13BN2O3S2/c1-
    3-4-17(14,15)12-10(13)8-5
    -7(2)16-9(8)6-11-12/h5-6,
    13H,3-4H2,1-2H3;
    TVXLILKNSPCVRB-UHFFFAOYSA-N    		 O=S(=O)(N1N=Cc2sc(cc2B1O)C)CCC; CCC[S](=
    O)(=O)N1N=Cc2sc(C)cc2B1O; B1(c2cc(sc2C=N
    N1S(=O)(=O)CCC)C)O    		 6-METHYL-2(PROPANE-1-SULFONYL)-2H-THIENO[3,2-D][1,2,3]DIAZABORININ-1-OL;
    Diazaborine
    37118
    TDC
    CHEMBL1214599
    ZINC000013736613    		 17 C22 H22 N2 O7 InChI=1S/C22H22N2O7/c1-8-
    9-5-4-6-12(25)13(9)17(26)
    14-10(8)7-11-16(24(2)3)18
    (27)15(21(23)30)20(29)22(
    11,31)19(14)28/h4-6,11,16
    ,25-27,31H,7H2,1-3H3,(H2,
    23,30)/t11-,16-,22-/m0/s1;
    CXCVEERYMJZMMM-DOCRCCHOSA-N    		 CN(C)[CH]1[CH]2Cc3c(C)c4cccc(O)c4c(O)c3C
    (=O)[C]2(O)C(=O)C(=C1O)C(N)=O; Cc1c2cccc
    (c2c(c3c1CC4C(C(=C(C(=O)C4(C3=O)O)C(=O)N
    )O)N(C)C)O)O; CN(C)[C@H]1[C@@H]2Cc3c(C)c
    4cccc(O)c4c(O)c3C(=O)[C@]2(O)C(=O)C(=C1O
    )C(N)=O; Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H]
    (C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O
    )O; O=C(N)C3=C(O)C(N(C)C)C4Cc2c(c1cccc(O
    )c1c(O)c2C(=O)C4(O)C3=O)C    		 5A,6-ANHYDROTETRACYCLINE
    37119
    TDD
    ZINC000000389551    		 0 C6 H13 N O2 InChI=1S/C6H13NO2/c1-6(2,
    3)4(7)5(8)9/h4H,7H2,1-3H3
    ,(H,8,9)/t4-/m0/s1;
    NPDBDJFLKKQMCM-BYPYZUCNSA-N    		 O=C(O)C(N)C(C)(C)C; CC(C)(C)[C@H](C(=O)O
    )N; CC(C)(C)[C@@H](N)C(O)=O; CC(C)(C)[CH
    ](N)C(O)=O; CC(C)(C)C(C(=O)O)N    		 (2R)-2-amino-3,3-dimethyl-butanoic acid;
    D-tert-leucine
    37120
    TDE
    CHEMBL1236230
    DB03396
    ZINC000005884811    		 1 C18 H32 N2 O7 InChI=1S/C18H32N2O7/c1-18
    (2,3)8-7-12(22)13(23)14(2
    4)15(27-4)17(26)20-11-6-5
    -10(21)9-19-16(11)25/h7-8
    ,10-15,21-24H,5-6,9H2,1-4
    H3,(H,19,25)(H,20,26)/b8-
    7+/t10-,11+,12-,13+,14-,1
    5-/m1/s1;
    FVBBTOIQETYGOA-SDNORSGYSA-N    		 CC(C)(C)\C=C\[C@H]([C@@H]([C@H]([C@H](C(
    =O)N[C@H]1CC[C@H](CNC1=O)O)OC)O)O)O; CO[
    C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)(
    C)C)C(=O)N[C@H]1CC[C@@H](O)CNC1=O; O=C1N
    CC(O)CCC1NC(=O)C(OC)C(O)C(O)C(O)/C=C/C(C
    )(C)C; CC(C)(C)C=CC(C(C(C(C(=O)NC1CCC(CN
    C1=O)O)OC)O)O)O; CO[CH]([CH](O)[CH](O)[C
    H](O)C=CC(C)(C)C)C(=O)N[CH]1CC[CH](O)CNC
    1=O    		 (E)-(2R,3R,4S,5R)-3,4,5-TRIHYDROXY-2-METHOXY-8,8-DIMETHYL-NON-6-ENOIC ACID ((3S,6R)-6-HYDROXY-2-OXO-AZEPAN-3-YL)-AMIDE
    37121
    TDF
    ZINC000002149431    		 0 C10 H10 F3 N O2 InChI=1S/C10H10F3NO2/c11-
    10(12,13)7-3-1-6(2-4-7)5-
    8(14)9(15)16/h1-4,8H,5,14
    H2,(H,15,16)/t8-/m1/s1;
    CRFFPDBJLGAGQL-MRVPVSSYSA-N    		 N[C@H](Cc1ccc(cc1)C(F)(F)F)C(O)=O; N[CH]
    (Cc1ccc(cc1)C(F)(F)F)C(O)=O; c1cc(ccc1CC
    (C(=O)O)N)C(F)(F)F; c1cc(ccc1C[C@H](C(=O
    )O)N)C(F)(F)F; FC(F)(F)c1ccc(cc1)CC(C(=O
    )O)N    		 4-(trifluoromethyl)-D-phenylalanine
    37122
    TDG    		 0 C12 H22 O10 S InChI=1S/C12H22O10S/c13-1
    -3-5(15)7(17)9(19)11(21-3
    )23-12-10(20)8(18)6(16)4(
    2-14)22-12/h3-20H,1-2H2/t
    3-,4-,5+,6+,7+,8+,9-,10-,
    11+,12+/m1/s1;
    SYKYBMOFPMXDRQ-ZFDCCPEWSA-N    		 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S
    [C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O
    )O)O)O)O)O; OC[CH]1O[CH](S[CH]2O[CH](CO)
    [CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1
    O; C(C1C(C(C(C(O1)SC2C(C(C(C(O2)CO)O)O)O
    )O)O)O)O; O2C(SC1OC(C(O)C(O)C1O)CO)C(O)C
    (O)C(O)C2CO; OC[C@H]1O[C@@H](S[C@@H]2O[C
    @H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[
    C@@H](O)[C@H]1O    		 THIODIGALACTOSIDE
    37123
    TDH
    ZINC000095921370    		 1 C14 H11 N3 O2 InChI=1S/C14H11N3O2/c18-1
    2-5-1-10(2-6-12)14-9-15-1
    6-17(14)11-3-7-13(19)8-4-
    11/h1-9,18-19H;
    VJAKQEJLSICLIC-UHFFFAOYSA-N    		 c1cc(ccc1c2cnnn2c3ccc(cc3)O)O; Oc1ccc(cc
    1)n2nncc2c3ccc(O)cc3; n2nn(c1ccc(O)cc1)c
    (c2)c3ccc(O)cc3    		 4,4'-(1H-1,2,3-triazole-1,5-diyl)diphenol
    37124
    TDI
    CHEMBL405346
    DB08606
    ZINC000011686540    		 12 C13 H19 N5 O S InChI=1S/C13H19N5OS/c1-20
    -6-9-4-18(5-10(9)19)3-8-2
    -15-12-11(8)16-7-17-13(12
    )14/h2,7,9-10,15,19H,3-6H
    2,1H3,(H2,14,16,17)/t9-,1
    0+/m1/s1;
    NTHMDFGHOCNNOE-ZJUUUORDSA-N    		 CSCC1CN(CC1O)Cc2c[nH]c3c2ncnc3N; CSC[CH]
    1CN(C[CH]1O)Cc2c[nH]c3c(N)ncnc23; CSC[C@
    H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N; C
    SC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c(N)ncnc2
    3; S(C)CC3CN(Cc2cnc1c2ncnc1N)CC3O    		 (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL;
    (3R,4S)-1-[9-DEAZAADENIN-9-YL)METHYL]-3-HYDROXY-4-(METHYLTHIOMETHYL)PYRROLIDINE
    37125
    TDJ    		 2 C22 H13 N2 O6 Ru S InChI=1S/C17H17N2O6S.C5H5
    .Ru/c1-9-8-26-15(19-13(9)
    16(22)23)14(17(24)25)18-1
    2(21)7-6-11(20)10-4-2-3-5
    -10;1-2-4-5-3-1;/h2-5,14-
    15H,1,6-8H2,(H,18,21)(H,2
    2,23)(H,24,25);1-5H;/t14-
    ,15+;;/m0../s1;
    NNOXJZPSFXUGDA-FZMMWMHASA-N    		 C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC
    (=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C
    ]63)[C]2[C]7[C]8[C]9[C]12; OC(=O)[C@@H](
    NC(=O)CCC(=O)C1([Ru])CCCC1)[C@H]2SCC(=C)
    C(=N2)C(O)=O.C3CCCC3; C/%12SC(C(C(=O)O)N
    C(=O)CCC(C9%10C8C7C%11[Ru]6432789(C1C5C4
    C3C12)C%10%11)=O)N=C(C\%12=C)C(=O)O; C=C
    1CSC(N=C1C(=O)O)C(C(=O)O)NC(=O)CCC(=O)C2
    3[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[
    C]8[C]9[C]12; OC(=O)[CH](NC(=O)CCC(=O)C1
    ([Ru])CCCC1)[CH]2SCC(=C)C(=N2)C(O)=O.C3C
    CCC3    		 [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methylidene-5,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium
    37126
    TDK
    ZINC000016051991    		 26 C15 H26 N4 O11 P3 S InChI=1S/C15H25N4O11P3S/c
    1-9-12(5-6-29-33(26,27)30
    -32(23,24)25)34-14(15(3,2
    0)31(21,22)28-4)19(9)8-11
    -7-17-10(2)18-13(11)16/h7
    ,20H,5-6,8H2,1-4H3,(H5-,1
    6,17,18,21,22,23,24,25,26
    ,27)/p+1/t15-/m0/s1;
    ILGXNMPRCMTAOK-HNNXBMFYSA-O    		 O=P(O)(O)OP(=O)(O)OCCc1sc([n+](c1C)Cc2cn
    c(nc2N)C)C(O)(P(=O)(OC)O)C; Cc1c(sc([n+]
    1Cc2cnc(nc2N)C)C(C)(O)P(=O)(O)OC)CCOP(=O
    )(O)OP(=O)(O)O; Cc1c(sc([n+]1Cc2cnc(nc2N
    )C)[C@@](C)(O)[P@@](=O)(O)OC)CCO[P@@](=O
    )(O)OP(=O)(O)O; CO[P](O)(=O)[C](C)(O)c1s
    c(CCO[P](O)(=O)O[P](O)(O)=O)c(C)[n+]1Cc2
    cnc(C)nc2N; CO[P](O)(=O)[C@](C)(O)c1sc(C
    CO[P](O)(=O)O[P](O)(O)=O)c(C)[n+]1Cc2cnc
    (C)nc2N    		 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM;
    2-PHOSPHONOLACTYLTHIAMIN DIPHOSPHATE
    37127
    TDL
    ZINC000016051990    		 26 C15 H23 N4 O10 P2 S InChI=1S/C15H22N4O10P2S/c
    1-8-11(4-5-28-31(26,27)29
    -30(23,24)25)32-13(15(3,2
    2)14(20)21)19(8)7-10-6-17
    -9(2)18-12(10)16/h6,22H,4
    -5,7H2,1-3H3,(H5-,16,17,1
    8,20,21,23,24,25,26,27)/p
    +1/t15-/m1/s1;
    TVDSMGSBVYONNB-OAHLLOKOSA-O    		 Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(C)(C(=O)O)O
    )CCOP(=O)(O)OP(=O)(O)O; Cc1c(sc([n+]1Cc2
    cnc(nc2N)C)[C@](C)(C(=O)O)O)CCO[P@@](=O)
    (O)OP(=O)(O)O; Cc1ncc(C[n+]2c(C)c(CCO[P]
    (O)(=O)O[P](O)(O)=O)sc2[C](C)(O)C(O)=O)c
    (N)n1; Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O
    [P](O)(O)=O)sc2[C@@](C)(O)C(O)=O)c(N)n1;
    O=P(O)(O)OP(=O)(O)OCCc1sc([n+](c1C)Cc2c
    nc(nc2N)C)C(O)(C(=O)O)C    		 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM;
    2-LACTYLTHIAMIN DIPHOSPHATE
    37128
    TDM
    ZINC000103557856    		 9 C14 H22 N4 O8 P2 S InChI=1S/C14H22N4O8P2S/c1
    -8-12(4-5-25-28(23,24)26-
    27(20,21)22)29-14(9(2)19)
    18(8)7-11-6-16-10(3)17-13
    (11)15/h6,19H,4-5,7H2,1-3
    H3,(H,23,24)(H2,15,16,17)
    (H2,20,21,22)/b14-9+;
    ZZLCKFKIIVXBQU-NTEUORMPSA-N    		 Cc1ncc(c(n1)N)CN\2C(=C(S/C2=C(\C)/O)CCO[
    P@@](=O)(O)OP(=O)(O)O)C; C\C(O)=C1/SC(=C
    (C)N1Cc2cnc(C)nc2N)CCO[P@](O)(=O)O[P](O)
    (O)=O; Cc1ncc(c(n1)N)CN2C(=C(SC2=C(C)O)C
    COP(=O)(O)OP(=O)(O)O)C; O=P(O)(O)OP(=O)(
    O)OCCC=1S\C(=C(\O)C)N(C=1C)Cc2cnc(nc2N)C
    ; CC(O)=C1SC(=C(C)N1Cc2cnc(C)nc2N)CCO[P]
    (O)(=O)O[P](O)(O)=O    		 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE;
    2-HYDROXYETHYLTHIAMIN DIPHOSPHATE
    37129
    TDN
    ZINC000584905693    		 2 C15 H24 N4 O8 P2 S InChI=1S/C15H24N4O8P2S/c1
    -4-12(20)15-19(8-11-7-17-
    10(3)18-14(11)16)9(2)13(3
    0-15)5-6-26-29(24,25)27-2
    8(21,22)23/h7,20H,4-6,8H2
    ,1-3H3,(H,24,25)(H2,16,17
    ,18)(H2,21,22,23)/b15-12+;
    MLWWWBMKISFTSY-NTCAYCPXSA-N    		 CCC(=C1N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C
    )Cc2cnc(nc2N)C)O; CCC(\O)=C1/SC(=C(C)N1C
    c2cnc(C)nc2N)CCO[P](O)(=O)O[P](O)(O)=O;
    CC/C(=C\1/N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)
    O)C)Cc2cnc(nc2N)C)/O; CCC(O)=C1SC(=C(C)N
    1Cc2cnc(C)nc2N)CCO[P](O)(=O)O[P](O)(O)=O    		 2-[(2E)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
    37130
    TDO
    ZINC000008216214    		 8 C16 H24 N2 O15 P2 InChI=1S/C16H24N2O15P2/c1
    -6-4-18(16(24)17-14(6)23)
    10-3-8(19)9(31-10)5-29-34
    (25,26)33-35(27,28)32-15-
    13(22)12(21)11(20)7(2)30-
    15/h4,7-10,12-13,15,19,21
    -22H,3,5H2,1-2H3,(H,25,26
    )(H,27,28)(H,17,23,24)/t7
    -,8-,9+,10+,12+,13+,15+/m
    0/s1;
    PSXWNITXWWECNY-LPVGZGSHSA-N    		 CC1C(=O)C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C
    (CC(O2)N3C=C(C(=O)NC3=O)C)O)O)O; C[C@H]1
    C(=O)[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)O
    [P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C
    =C(C(=O)NC3=O)C)O)O)O; O=C1C(O)C(O)C(OC1
    C)OP(=O)(O)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)
    C(=C2)C)CC3O; C[CH]1O[CH](O[P](O)(=O)O[P
    ](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=
    O)NC3=O)[CH](O)[CH](O)C1=O; C[C@@H]1O[C@
    H](O[P@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@
    H](C[C@@H]2O)N3C=C(C)C(=O)NC3=O)[C@H](O)
    [C@H](O)C1=O    		 DTDP-4-KETO-L-RHAMNOSE
    37131
    TDP    		 0 C12 H18 N4 O7 P2 S InChI=1S/C12H18N4O7P2S/c1
    -8-11(3-4-22-25(20,21)23-
    24(17,18)19)26-7-16(8)6-1
    0-5-14-9(2)15-12(10)13/h5
    ,7H,3-4,6H2,1-2H3,(H4-,13
    ,14,15,17,18,19,20,21);
    AYEKOFBPNLCAJY-UHFFFAOYSA-N    		 Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(
    =O)(O)[O-]; Cc1ncc(C[n+]2csc(CCO[P](O)(=
    O)O[P](O)([O-])=O)c2C)c(N)n1; Cc1c(sc[n+
    ]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)
    (O)[O-]; Cc1ncc(C[n+]2csc(CCO[P@](O)(=O)
    O[P](O)([O-])=O)c2C)c(N)n1    		 THIAMIN DIPHOSPHATE
    37132
    TDR
    CHEMBL993
    DB03462
    ZINC000000157062    		 55 C5 H6 N2 O2 InChI=1S/C5H6N2O2/c1-3-2-
    6-5(9)7-4(3)8/h2H,1H3,(H2
    ,6,7,8,9);
    RWQNBRDOKXIBIV-UHFFFAOYSA-N    		 CC1=CNC(=O)NC1=O; O=C1C(=CNC(=O)N1)C THYMINE
    37133
    TDS
    ZINC000058661093    		 12 C25 H38 O5 InChI=1S/C25H38O5/c1-5-6-
    7-8-9-10-11-12-13-14-15-1
    6-19-18(2)23(26)22-20(28-
    3)17-21(29-4)24(27)25(22)
    30-19/h17,27H,5-16H2,1-4H
    3;
    LSHATXKKRQGSEC-UHFFFAOYSA-N    		 CCCCCCCCCCCCCC1=C(C)C(=O)c2c(OC)cc(OC)c(
    O)c2O1; CCCCCCCCCCCCCC1=C(C(=O)c2c(cc(c(
    c2O1)O)OC)OC)C; O=C1c2c(OC(=C1C)CCCCCCCC
    CCCCC)c(O)c(OC)cc2OC    		 8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-TRIDECYL-4H-CHROMEN-4-ONE;
    TRIDECYL-STIGMATELLIN
    37134
    TDT    		 3 C40 H44 N12 O15 P2 S InChI=1S/C40H46N12O15P2S/
    c41-33-27-36(44-18-43-33)
    51(19-45-27)39-32(56)30(5
    4)26(66-39)17-64-69(61,62
    )67-68(59,60)63-16-25-29(
    53)31(55)38(65-25)49-13-1
    0-24(22(14-49)34(42)57)52
    -15-23-35(47-52)46-20-50(
    40(23)70)28(21-8-4-3-5-9-
    21)37(58)48-11-6-1-2-7-12
    -48/h3-5,8-10,13-15,18-20
    ,24-26,28-32,38-39,53,55H
    ,1-2,6-7,11-12,16-17H2,(H
    2,42,57)(H,59,60)(H,61,62
    )(H2,41,43,44)/q-2/p-2/t2
    4-,25+,26+,28-,29+,30+,31
    +,32+,38+,39+/m0/s1;
    XHBACRZQFHLVAV-LFFSAXSQSA-L    		 NC(=O)C1=CN(C=C[C@@H]1n2cc3C(=S)N(C=Nc3n
    2)[C@H](C(=O)N4CCCCCC4)c5ccccc5)[C@@H]6O
    [C@H](CO[P]([O-])(=O)O[P]([O-])(=O)OC[C@
    H]7O[C@H]([C@H]([O-])[C@@H]7[O-])n8cnc9c
    (N)ncnc89)[C@@H](O)[C@H]6O; c1ccc(cc1)C(
    C(=O)N2CCCCCC2)N3C=Nc4c(cn(n4)C5C=CN(C=C
    5C(=O)N)C6C(C(C(O6)COP(=O)([O-])OP(=O)([
    O-])OCC7C(C(C(O7)n8cnc9c8ncnc9N)[O-])[O-
    ])O)O)C3=S; c1ccc(cc1)[C@@H](C(=O)N2CCCC
    CC2)N3C=Nc4c(cn(n4)[C@H]5C=CN(C=C5C(=O)N
    )[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)([O
    -])OP(=O)([O-])OC[C@@H]7[C@H]([C@H]([C@@
    H](O7)n8cnc9c8ncnc9N)[O-])[O-])O)O)C3=S;
    NC(=O)C1=CN(C=C[CH]1n2cc3C(=S)N(C=Nc3n2
    )[CH](C(=O)N4CCCCCC4)c5ccccc5)[CH]6O[CH]
    (CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]7O[C
    H]([CH]([O-])[CH]7[O-])n8cnc9c(N)ncnc89)
    [CH](O)[CH]6O    		 1-AZEPAN-1-YL-2-PHENYL-2-(4-THIOXO-1,4-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-5-YL)ETHANONE ADDUCT
    37135
    TDU
    CHEMBL2325441
    ZINC000075343937    		 1 C15 H18 N4 O S InChI=1S/C15H18N4OS/c20-1
    5(16-9-8-11-4-2-1-3-5-11)
    17-12-6-7-13-14(10-12)21-
    19-18-13/h4,6-7,10H,1-3,5
    ,8-9H2,(H2,16,17,20);
    GGXCUZHEJUJACD-UHFFFAOYSA-N    		 O=C(NCCC1=CCCCC1)Nc2ccc3nnsc3c2; c1cc2c(
    cc1NC(=O)NCCC3=CCCCC3)snn2    		 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea;
    1-(benzo[d][1,2,3]thiadiazol-6-yl)-3-(2-cyclohexenylethyl)urea
    37136
    TDV
    CHEMBL2178963
    ZINC000095578092    		 1 C27 H30 F N5 O2 InChI=1S/C27H30FN5O2/c28-
    22-13-11-21(12-14-22)24-1
    9-33(30-29-24)23-17-25(27
    (35)31-15-4-5-16-31)32(18
    -23)26(34)10-6-9-20-7-2-1
    -3-8-20/h1-3,7-8,11-14,19
    ,23,25H,4-6,9-10,15-18H2/
    t23-,25-/m0/s1;
    LGXNBGWSOROIQH-ZCYQVOJMSA-N    		 Fc1ccc(cc1)c2cn(nn2)[C@H]3C[C@H](N(C3)C(
    =O)CCCc4ccccc4)C(=O)N5CCCC5; c1ccc(cc1)C
    CCC(=O)N2C[C@H](C[C@H]2C(=O)N3CCCC3)n4cc
    (nn4)c5ccc(cc5)F; Fc1ccc(cc1)c2cn(nn2)[C
    H]3C[CH](N(C3)C(=O)CCCc4ccccc4)C(=O)N5CC
    CC5; c1ccc(cc1)CCCC(=O)N2CC(CC2C(=O)N3CC
    CC3)n4cc(nn4)c5ccc(cc5)F; Fc5ccc(c1nnn(c
    1)C4CN(C(=O)CCCc2ccccc2)C(C(=O)N3CCCC3)C
    4)cc5    		 1-[(2S,4S)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-2-pyrrolidin-1-ylcarbonyl-pyrrolidin-1-yl]-4-phenyl-butan-1-one
    37137
    TDW    		 8 C14 H23 N4 O8 P2 S InChI=1S/C14H24N4O8P2S/c1
    -8-12(4-5-25-28(23,24)26-
    27(20,21)22)29-14(9(2)19)
    18(8)7-11-6-16-10(3)17-13
    (11)15/h6,9,18-19H,4-5,7H
    2,1-3H3,(H,23,24)(H2,15,1
    6,17)(H2,20,21,22)/t9-/m0
    /s1;
    WHPLAPKWYDKPQH-VIFPVBQESA-N    		 Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(C)O)CCOP(=O
    )(O)OP(=O)(O)O; C[C@H](O)c1sc(CCO[P](O)(
    =O)O[P](O)(O)=O)c(C)[n+]1Cc2cnc(C)nc2N;
    C[CH](O)c1sc(CCO[P](O)(=O)O[P](O)(O)=O)c
    (C)[n+]1Cc2cnc(C)nc2N; Cc1c(sc([n+]1Cc2c
    nc(nc2N)C)[C@H](C)O)CCOP(=O)(O)OP(=O)(O)
    O; O=P(O)(O)OP(=O)(O)OCCc1sc(C(O)C)n(c1C
    )Cc2cnc(nc2N)C    		 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[(1S)-1-oxidanylethyl]-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
    37138
    TDX
    DB03161
    ZINC000015634247    		 12 C15 H24 N2 O15 P2 InChI=1S/C15H24N2O15P2/c1
    -6-3-17(15(23)16-13(6)22)
    10-2-7(18)9(30-10)5-29-33
    (24,25)32-34(26,27)31-14-
    12(21)11(20)8(19)4-28-14/
    h3,7-12,14,18-21H,2,4-5H2
    ,1H3,(H,24,25)(H,26,27)(H
    ,16,22,23)/t7-,8+,9+,10+,
    11-,12+,14+/m0/s1;
    AJUADKZRQSBUAK-KDGZBOQCSA-N    		 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2
    )CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]
    ([C@H]([C@@H](CO3)O)O)O)O; CC1=CN([CH]2C
    [CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]
    3OC[CH](O)[CH](O)[CH]3O)O2)C(=O)NC1=O; O
    =P(OC1OCC(O)C(O)C1O)(O)OP(=O)(O)OCC3OC(N
    2C=C(C(=O)NC2=O)C)CC3O; CC1=CN([C@H]2C[C
    @H](O)[C@@H](CO[P@@](O)(=O)O[P@@](O)(=O)
    O[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)O2)C(=
    O)NC1=O; CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP
    (=O)(O)OP(=O)(O)OC3C(C(C(CO3)O)O)O)O    		 THYMIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE
    37139
    TDY
    ZINC000058649499    		 0 C11 H20 N3 O8 P InChI=1S/C11H20N3O8P/c1-1
    1(12-2)5-14(10(17)13-9(11
    )16)8-3-6(15)7(22-8)4-21-
    23(18,19)20/h6-8,12,15H,3
    -5H2,1-2H3,(H,13,16,17)(H
    2,18,19,20)/t6-,7+,8+,11+
    /m0/s1;
    GANAXGZWNNBICE-PRKAOEEVSA-N    		 C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H]
    (O2)COP(=O)(O)O)O)NC; O=C1N(CC(C(=O)N1)(
    NC)C)C2OC(C(O)C2)COP(=O)(O)O; CN[C]1(C)C
    N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=
    O)NC1=O; CN[C@]1(C)CN([C@H]2C[C@H](O)[C@
    @H](CO[P](O)(O)=O)O2)C(=O)NC1=O; CC1(CN(
    C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O)NC    		 5-(METHYLAMINO)THYMIDINE 5'-(DIHYDROGEN PHOSPHATE)
    37140
    TDZ
    DB08607
    ZINC000000968278    		 6 C24 H27 N O5 S InChI=1S/C24H27NO5S/c1-13
    -14(2)21-18(15(3)20(13)26
    )9-10-24(4,30-21)12-29-17
    -7-5-16(6-8-17)11-19-22(2
    7)25-23(28)31-19/h5-8,19,
    26H,9-12H2,1-4H3,(H,25,27
    ,28)/t19-,24-/m1/s1;
    GXPHKUHSUJUWKP-NTKDMRAZSA-N    		 Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)COc3ccc(cc
    3)C[C@@H]4C(=O)NC(=O)S4)C; Cc1c(c2c(c(c1
    O)C)CCC(O2)(C)COc3ccc(cc3)CC4C(=O)NC(=O)
    S4)C; Cc1c(C)c2O[C](C)(CCc2c(C)c1O)COc3c
    cc(C[CH]4SC(=O)NC4=O)cc3; O=C1NC(=O)SC1C
    c4ccc(OCC3(Oc2c(c(c(O)c(c2CC3)C)C)C)C)cc
    4; Cc1c(C)c2O[C@](C)(CCc2c(C)c1O)COc3ccc
    (C[C@H]4SC(=O)NC4=O)cc3    		 (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE;
    TROGLITAZONE
    37141
    TE    		 0 Te InChI=1S/H2Te/h1H2;
    VTLHPSMQDDEFRU-UHFFFAOYSA-N    		 [Te]; [TeH2] TELLURIUM
    37142
    TE0
    CHEMBL1905461
    ZINC000000259871    		 3 C8 H15 N O4 S InChI=1S/C8H15NO4S/c1-2-1
    4(12,13)9-5-3-7(4-6-9)8(1
    0)11/h7H,2-6H2,1H3,(H,10,
    11);
    FXILSJTWIHHRJV-UHFFFAOYSA-N    		 O=S(=O)(CC)N1CCC(CC1)C(=O)O; CC[S](=O)(=
    O)N1CCC(CC1)C(O)=O; CCS(=O)(=O)N1CCC(CC1
    )C(=O)O    		 1-(ethanesulfonyl)piperidine-4-carboxylic acid
    37143
    TE1
    CHEMBL560175
    ZINC000043069883    		 1 C15 H20 O5 InChI=1S/C15H20O5/c1-9(2)
    6-13(17)11-7-10(4-5-15(18
    )19)12(16)8-14(11)20-3/h4
    -5,7-9,13,16-17H,6H2,1-3H
    3,(H,18,19)/b5-4-/t13-/m0
    /s1;
    KXEZMFMTEVLUPQ-ZFDPJTLLSA-N    		 CC(C)CC(c1cc(c(cc1OC)O)C=CC(=O)O)O; COc1
    cc(O)c(C=CC(O)=O)cc1[CH](O)CC(C)C; COc1c
    c(O)c(\C=C/C(O)=O)cc1[C@@H](O)CC(C)C; CC
    (C)C[C@@H](c1cc(c(cc1OC)O)/C=C\C(=O)O)O;
    O=C(O)\C=C/c1c(O)cc(OC)c(c1)C(O)CC(C)C    		 (2Z)-3-{2-hydroxy-5-[(1S)-1-hydroxy-3-methylbutyl]-4-methoxyphenyl}prop-2-enoic acid
    37144
    TE2
    ZINC000150345602    		 1 C47 H61 N5 O3 S InChI=1S/C47H61N5O3S/c1-4
    6(2)38-18-9-11-20-40(38)5
    1(5)42(46)29-25-35-16-15-
    17-36(26-30-43-47(3,4)39-
    19-10-12-21-41(39)52(43)6
    )45(35)50-33-14-8-7-13-32
    -49-44(53)31-24-34-22-27-
    37(28-23-34)56(48,54)55/h
    9-12,18-23,25,27-30,50H,7
    -8,13-17,24,26,31-33H2,1-
    6H3,(H,49,53)(H2,48,54,55
    )/b35-25-,42-29+,43-30-;
    KNDSETYOKYYUHZ-OLEWYFQESA-N    		 CC\1(c2ccccc2N(/C1=C\CC3=C(/C(=C\C=C\4/C
    (c5ccccc5N4C)(C)C)/CCC3)NCCCCCCNC(=O)CCc
    6ccc(cc6)S(=O)(=O)N)C)C; O=S(=O)(N)c1ccc
    (cc1)CCC(=O)NCCCCCCNC=4/C(=C\C=C3\N(c2cc
    ccc2C3(C)C)C)CCCC=4C\C=C6/N(c5ccccc5C6(C
    )C)C; CN\1c2ccccc2C(C)(C)C\1=C/CC3=C(NCC
    CCCCNC(=O)CCc4ccc(cc4)[S](N)(=O)=O)C(\CC
    C3)=C/C=C\5N(C)c6ccccc6C\5(C)C; CC1(c2cc
    ccc2N(C1=CCC3=C(C(=CC=C4C(c5ccccc5N4C)(C
    )C)CCC3)NCCCCCCNC(=O)CCc6ccc(cc6)S(=O)(=
    O)N)C)C; CN1c2ccccc2C(C)(C)C1=CCC3=C(NCC
    CCCCNC(=O)CCc4ccc(cc4)[S](N)(=O)=O)C(CCC
    3)=CC=C5N(C)c6ccccc6C5(C)C
    37145
    TE3
    CHEMBL4750765    		 4 C10 H16 N4 O3 S2 InChI=1S/C10H16N4O3S2/c11
    -19(16,17)10-14-13-9(18-1
    0)12-8(15)6-7-4-2-1-3-5-7
    /h7H,1-6H2,(H2,11,16,17)(
    H,12,13,15);
    JUBREXAVHBVMRO-UHFFFAOYSA-N    		 C1CCC(CC1)CC(=O)Nc2nnc(s2)S(=O)(=O)N; O=
    S(N)(=O)c1nnc(NC(=O)CC2CCCCC2)s1; N[S](=
    O)(=O)c1sc(NC(=O)CC2CCCCC2)nn1    		 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
    37146
    TE4
    CHEMBL698
    DB09085
    ZINC000001530811    		 6 C15 H24 N2 O2 InChI=1S/C15H24N2O2/c1-4-
    5-10-16-14-8-6-13(7-9-14)
    15(18)19-12-11-17(2)3/h6-
    9,16H,4-5,10-12H2,1-3H3;
    GKCBAIGFKIBETG-UHFFFAOYSA-N    		 O=C(OCCN(C)C)c1ccc(NCCCC)cc1; CCCCNc1ccc
    (cc1)C(=O)OCCN(C)C    		 Tetracaine;
    2-(dimethylamino)ethyl 4-(butylamino)benzoate
    37147
    TE5
    CHEMBL1415245
    ZINC000000040343    		 1 C11 H11 N3 O InChI=1S/C11H11N3O/c1-15-
    10-7-9(13-11(12)14-10)8-5
    -3-2-4-6-8/h2-7H,1H3,(H2,
    12,13,14);
    NVXGRADJIFIBIO-UHFFFAOYSA-N    		 COc1cc(nc(n1)N)c2ccccc2; COc1cc(nc(N)n1)
    c2ccccc2    		 4-methoxy-6-phenyl-pyrimidin-2-amine;
    4-methoxy-6-phenylpyrimidin-2-ylamine;
    4-methoxy-6-phenylpyrimidin-2-amine
    37148
    TE6    		 1 H6 O6 Te InChI=1S/H6O6Te/c1-7(2,3,
    4,5)6/h1-6H;
    FXADMRZICBQPQY-UHFFFAOYSA-N    		 O[Te](O)(O)(O)(O)O Orthotelluric acid
    37149
    TE7
    CHEMBL125750
    ZINC000100901356    		 4 C19 H20 N4 O2 InChI=1S/C19H20N4O2/c1-22
    (2)9-8-20-14-5-6-15-18-17
    (14)19(24)13-10-12(25-3)4
    -7-16(13)23(18)11-21-15/h
    4-7,10-11,20H,8-9H2,1-3H3;
    NJTQMNXHSDDMHX-UHFFFAOYSA-N    		 CN(C)CCNc1ccc2c3c1C(=O)c4cc(ccc4-n3cn2)O
    C; O=C2c1c(ccc(OC)c1)n3c4c2c(NCCN(C)C)cc
    c4nc3; COc1ccc2n3cnc4ccc(NCCN(C)C)c(C(=O
    )c2c1)c34    		 5-{[2-(dimethylamino)ethyl]amino}-8-methoxy-6H-imidazo[4,5,1-de]acridin-6-one
    37150
    TE8
    ZINC000000241544    		 1 C15 H14 O3 InChI=1S/C15H14O3/c1-11(1
    5(16)17)18-14-9-7-13(8-10
    -14)12-5-3-2-4-6-12/h2-11
    H,1H3,(H,16,17)/t11-/m1/s
    1;
    FUPGQEMJIGUBGO-LLVKDONJSA-N    		 C[C@H](C(=O)O)Oc1ccc(cc1)c2ccccc2; CC(C(
    =O)O)Oc1ccc(cc1)c2ccccc2; C[C@@H](Oc1ccc
    (cc1)c2ccccc2)C(O)=O; C[CH](Oc1ccc(cc1)c
    2ccccc2)C(O)=O    		 (2~{R})-2-(4-phenylphenoxy)propanoic acid
    37151
    TE9
    CHEMBL2105637
    DB11943
    ZINC000003827556    		 2 C18 H12 Cl F3 N4 O4 InChI=1S/C18H12ClF3N4O4/c
    19-12-13-7(1-9(20)14(12)2
    5-3-6(27)4-25)15(28)8(18(
    29)30)5-26(13)17-11(22)2-
    10(21)16(23)24-17/h1-2,5-
    6,27H,3-4H2,(H2,23,24)(H,
    29,30);
    DYDCPNMLZGFQTM-UHFFFAOYSA-N    		 Nc1nc(N2C=C(C(O)=O)C(=O)c3cc(F)c(N4CC(O)
    C4)c(Cl)c23)c(F)cc1F; c1c2c(c(c(c1F)N3CC
    (C3)O)Cl)N(C=C(C2=O)C(=O)O)c4c(cc(c(n4)N
    )F)F    		 delafloxacin;
    1-[6-azanyl-3,5-bis(fluoranyl)pyridin-2-yl]-8-chloranyl-6-fluoranyl-7-(3-oxidanylazetidin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid
    37152
    TEA    		 0 C6 H16 N InChI=1S/C6H15N/c1-4-7(5-
    2)6-3/h4-6H2,1-3H3/p+1;
    ZMANZCXQSJIPKH-UHFFFAOYSA-O    		 CC[NH+](CC)CC TRIETHYLAMMONIUM ION
    37153
    TEB
    ZINC000103557892    		 6 C16 H23 N3 O4 S2 InChI=1S/C16H23N3O4S2/c1-
    8-12(11(7-20)9(2)21)18-13
    (15(22)23)14(8)25-10-5-19
    (6-10)16-17-3-4-24-16/h7-
    12,18,21H,3-6H2,1-2H3,(H,
    22,23)/t8-,9-,11-,12-/m1/
    s1;
    PGCJBZBFZXWIGF-CNVPUSNMSA-N    		 C[CH](O)[CH](C=O)[CH]1NC(=C(SC2CN(C2)C3=
    NCCS3)[CH]1C)C(O)=O; C[C@@H](O)[C@@H](C=
    O)[C@@H]1NC(=C(SC2CN(C2)C3=NCCS3)[C@@H]1
    C)C(O)=O; C[C@@H]1[C@@H](NC(=C1SC2CN(C2)
    C3=NCCS3)C(=O)O)[C@H](C=O)[C@@H](C)O; CC
    1C(NC(=C1SC2CN(C2)C3=NCCS3)C(=O)O)C(C=O)
    C(C)O; O=C(O)C=3NC(C(C=O)C(O)C)C(C=3SC2C
    N(C1=NCCS1)C2)C    		 (4R,5S)-3-(1-(4,5-dihydrothiazol-2-yl)azetidin-3-ylthio)-5-((2S,3R)-3-hydroxy-1-oxobutan-2-yl)-4-methyl-4,5- dihydro-1H-pyrrole-2-carboxylic acid;
    Tebipenem (open form)
    37154
    TEC
    ZINC000098209445    		 1 C16 H31 N O6 InChI=1S/C16H31NO6/c1-2-3
    -4-5-6-7-8-9-12(18)22-10-
    11-14(19)15(20)13(17)16(2
    1)23-11/h11,13-16,19-21H,
    2-10,17H2,1H3/t11-,13-,14
    -,15-,16-/m1/s1;
    CEBTVLUOBKRBFG-JPIRQXTESA-N    		 CCCCCCCCCC(=O)OC[CH]1O[CH](O)[CH](N)[CH]
    (O)[CH]1O; CCCCCCCCCC(=O)OC[C@@H]1[C@H](
    [C@@H]([C@H]([C@@H](O1)O)N)O)O; O=C(OCC1
    OC(O)C(N)C(O)C1O)CCCCCCCCC; CCCCCCCCCC(=
    O)OC[C@H]1O[C@@H](O)[C@H](N)[C@@H](O)[C@
    @H]1O; CCCCCCCCCC(=O)OCC1C(C(C(C(O1)O)N)
    O)O    		 2-amino-6-O-decanoyl-2-deoxy-beta-D-glucopyranose
    37155
    TED
    ZINC000098209446    		 0 C24 H35 N6 O16 P InChI=1S/C24H35N6O16P/c31
    -15-7-19(46-16(15)13-45-4
    7(42,43)44)30-8-14(23(40)
    27-24(30)41)1-2-17(32)25-
    3-4-26-18(33)9-28(10-20(3
    4)35)5-6-29(11-21(36)37)1
    2-22(38)39/h1-2,8,15-16,1
    9,31H,3-7,9-13H2,(H,25,32
    )(H,26,33)(H,34,35)(H,36,
    37)(H,38,39)(H,27,40,41)(
    H2,42,43,44)/b2-1+/t15-,1
    6+,19+/m0/s1;
    GANOOALIPBDIPI-DARGZDBCSA-N    		 C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/
    C=C/C(=O)NCCNC(=O)C[N@](CCN(CC(=O)O)CC(=
    O)O)CC(=O)O)COP(=O)(O)O)O; O=C(O)CN(CC(=
    O)O)CCN(CC(=O)O)CC(=O)NCCNC(=O)\C=C\C=1C
    (=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O;
    O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C
    =CC(=O)NCCNC(=O)CN(CCN(CC(O)=O)CC(O)=O)C
    C(O)=O)C(=O)NC2=O; O[C@H]1C[C@@H](O[C@@H
    ]1CO[P](O)(O)=O)N2C=C(\C=C\C(=O)NCCNC(=O
    )CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)C(=O)NC2
    =O; C1C(C(OC1N2C=C(C(=O)NC2=O)C=CC(=O)NC
    CNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CO
    P(=O)(O)O)O    		 5-[(1E)-14-carboxy-10,13-bis(carboxymethyl)-3,8-dioxo-4,7,10,13-tetraazatetradec-1-en-1-yl]-2'-deoxyuridine 5'-(dihydrogen phosphate)
    37156
    TEE
    DB01968    		 0 C2 H5 N S InChI=1S/C2H5NS/c3-1-2-4/
    h1-2,4H,3H2/b2-1-;
    JLZMZFJVTNYDOT-UPHRSURJSA-N    		 C(=CS)N; N\C=C/S; NC=CS; S/C=C\N 2-AMINO-ETHENETHIOL;
    2-THIOETHENAMINE
    37157
    TEF
    ZINC000058638473    		 2 C10 H11 N5 O2 InChI=1S/C10H11N5O2/c11-9
    (10(16)17)5-7-1-3-8(4-2-7
    )15-13-6-12-14-15/h1-4,6,
    9H,5,11H2,(H,16,17)/t9-/m
    0/s1;
    KHTQUIIGXJUWFB-VIFPVBQESA-N    		 N[CH](Cc1ccc(cc1)n2ncnn2)C(O)=O; O=C(O)C
    (N)Cc1ccc(cc1)n2ncnn2; c1cc(ccc1CC(C(=O)
    O)N)n2ncnn2; N[C@@H](Cc1ccc(cc1)n2ncnn2)
    C(O)=O; c1cc(ccc1C[C@@H](C(=O)O)N)n2ncnn
    2    		 4-(2H-tetrazol-2-yl)-L-phenylalanine;
    p-(2-tetrazolyl)-phenylalanine
    37158
    TEG
    ZINC000110906804    		 2 C6 H12 O5 InChI=1S/C6H12O5/c7-1-2-1
    0-3-4-11-5-6(8)9/h7H,1-5H
    2,(H,8,9);
    PRBXPAHXMGDVNQ-UHFFFAOYSA-N    		 OCCOCCOCC(O)=O; C(COCCOCC(=O)O)O; C(=O)(
    O)COCCOCCO    		 [2-(2-hydroxyethoxy)ethoxy]acetic acid
    37159
    TEH
    CHEMBL1468944
    ZINC000000359136    		 3 C12 H14 N2 O3 InChI=1S/C12H14N2O3/c15-1
    1-8-14(7-6-13-11)12(16)9-
    17-10-4-2-1-3-5-10/h1-5H,
    6-9H2,(H,13,15);
    VQOCCTAPSDVOOO-UHFFFAOYSA-N    		 c1ccc(cc1)OCC(=O)N2CCNC(=O)C2; O=C1CN(CC
    N1)C(=O)COc2ccccc2    		 4-(2-phenoxyethanoyl)piperazin-2-one
    37160
    TEI
    CHEMBL1164729
    DB04854
    ZINC000000005423    		 4 C16 H16 N2 O3 S InChI=1S/C16H16N2O3S/c1-9
    (2)8-21-13-5-4-11(6-12(13
    )7-17)15-18-10(3)14(22-15
    )16(19)20/h4-6,9H,8H2,1-3
    H3,(H,19,20);
    BQSJTQLCZDPROO-UHFFFAOYSA-N    		 Cc1c(sc(n1)c2ccc(c(c2)C#N)OCC(C)C)C(=O)O
    ; CC(C)COc1ccc(cc1C#N)c2sc(C(O)=O)c(C)n2
    ; N#Cc1c(OCC(C)C)ccc(c1)c2nc(c(s2)C(=O)O
    )C    		 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID
    37161
    TEJ
    ZINC000058661095    		 3 C27 H38 O4 InChI=1S/C27H38O4/c1-16(1
    2-22-13-17(2)26(30)31-22)
    23-9-10-24-19(6-5-11-27(2
    3,24)4)7-8-20-14-21(28)15
    -25(29)18(20)3/h7-8,16,21
    -25,28-29H,2-3,5-6,9-15H2
    ,1,4H3/b19-7+,20-8-/t16-,
    21+,22-,23+,24-,25-,27+/m
    0/s1;
    SAODSJHDCZTVAT-HPNZEMCUSA-N    		 C[CH](C[CH]1CC(=C)C(=O)O1)[CH]2CC[CH]3C(
    CCC[C]23C)=CC=C4C[CH](O)C[CH](O)C4=C; O=
    C/4OC(CC(C3C2(C)C(\C(=C\C=C1/C(=C)C(O)CC
    (O)C1)CCC2)CC3)C)CC\4=C; C[C@@H](C[C@H]1
    CC(=C)C(=O)O1)[C@H]2CC[C@@H]\3[C@@]2(CCC
    /C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C; C
    [C@@H](C[C@H]1CC(=C)C(=O)O1)[C@H]2CC[C@H
    ]3/C(CCC[C@]23C)=C/C=C4/C[C@@H](O)C[C@H]
    (O)C4=C; CC(CC1CC(=C)C(=O)O1)C2CCC3C2(CC
    CC3=CC=C4CC(CC(C4=C)O)O)C    		 (1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one;
    (23S)-25-dehydro-1alpha-hydroxyvitamin D3-26,23-lactone
    37162
    TEK
    CHEMBL1572228
    ZINC000000845899    		 2 C11 H13 N3 O InChI=1S/C11H13N3O/c1-3-1
    4-10-7-5-4-6-9(10)13-11(1
    4)12-8(2)15/h4-7H,3H2,1-2
    H3,(H,12,13,15);
    CTAOPYAHPUKQBH-UHFFFAOYSA-N    		 CCn1c(NC(C)=O)nc2ccccc12; CCn1c2ccccc2nc
    1NC(=O)C    		 ~{N}-(1-ethylbenzimidazol-2-yl)ethanamide
    37163
    TEL
    CHEMBL1136
    DB00976
    ZINC000009574770    		 0 C43 H65 N5 O10 InChI=1S/C43H65N5O10/c1-1
    2-33-43(8)37(48(41(53)58-
    43)19-14-13-18-47-23-31(4
    5-24-47)30-16-15-17-44-22
    -30)27(4)34(49)25(2)21-42
    (7,54-11)38(28(5)35(50)29
    (6)39(52)56-33)57-40-36(5
    1)32(46(9)10)20-26(3)55-4
    0/h15-17,22-29,32-33,36-3
    8,40,51H,12-14,18-21H2,1-
    11H3/t25-,26-,27+,28+,29-
    ,32+,33-,36-,37-,38-,40+,
    42-,43-/m1/s1;
    LJVAJPDWBABPEJ-PNUFFHFMSA-N    		 CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)
    C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C
    (=O)O2)CCCCn4cc(nc4)c5cccnc5)C; CC[C@H]1
    OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H
    ]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C
    )(C[C@@H](C)C(=O)[C@H](C)[C@H]3N(CCCCn4c
    nc(c4)c5cccnc5)C(=O)O[C@]13C)OC; CC[C@@H
    ]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]
    ([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C
    @H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)
    OC)C)C)N(C(=O)O2)CCCCn4cc(nc4)c5cccnc5)C
    ; CC[CH]1OC(=O)[CH](C)C(=O)[CH](C)[CH](O
    [CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[C](C)(C
    [CH](C)C(=O)[CH](C)[CH]3N(CCCCn4cnc(c4)c
    5cccnc5)C(=O)O[C]13C)OC; CC12C(CC)OC(C(C
    )C(=O)C(C)C(C(CC(C(C(C1N(C(O2)=O)CCCCn3c
    nc(c3)c4cccnc4)C)=O)C)(OC)C)OC5C(C(N(C)C
    )CC(O5)C)O)=O    		 TELITHROMYCIN;
    (3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-1-{4-[4-(pyridin-3-yl)-1H-imidazol-1-yl]butyl}tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside
    37164
    TEM
    ZINC000006292517    		 5 C7 H11 N O3 InChI=1S/C7H11NO3/c9-4-1-
    3-8-6-7(11)2-5-10/h1,3-5,
    7-8,11H,2,6H2/b3-1+/t7-/m
    1/s1;
    FXITUJNZFYVSNC-RCYFRSRISA-N    		 C(C=O)C(CNC=CC=O)O; O[C@@H](CN\C=C\C=O)C
    C=O; O[CH](CNC=CC=O)CC=O; O=C\C=C\NCC(O)
    CC=O; C(C=O)C(CN\C=C\C=O)O    		 N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE
    37165
    TEN
    CHEMBL1236251
    DB03347
    ZINC000001641077    		 1 C6 H15 O4 P InChI=1S/C6H15O4P/c1-4-8-
    11(7,9-5-2)10-6-3/h4-6H2,
    1-3H3;
    DQWPFSLDHJDLRL-UHFFFAOYSA-N    		 O=P(OCC)(OCC)OCC; CCOP(=O)(OCC)OCC; CCO[
    P](=O)(OCC)OCC    		 TRIETHYL PHOSPHATE
    37166
    TEO
    DB03343    		 28 C4 H4 O5 InChI=1S/C4H6O5/c5-2(4(8)
    9)1-3(6)7/h1-2,5-7H,(H,8,
    9)/p-2/t2-/m1/s1;
    QFBHYOKSQPPXHZ-UWTATZPHSA-L    		 C(=C(O)[O-])C(C(=O)[O-])O; C(=C(\O)/[O-]
    )\[C@H](C(=O)[O-])O; O[CH](C=C(O)[O-])C(
    [O-])=O; [O-]/C(O)=C/C(O)C([O-])=O; O[C@
    H](\C=C(O)\[O-])C([O-])=O    		 MALATE LIKE INTERMEDIATE
    37167
    TEP
    CHEMBL190
    DB00277
    ZINC000018043251    		 22 C7 H8 N4 O2 InChI=1S/C7H8N4O2/c1-10-5
    -4(8-3-9-5)6(12)11(2)7(10
    )13/h3H,1-2H3,(H,8,9);
    ZFXYFBGIUFBOJW-UHFFFAOYSA-N    		 CN1c2c([nH]cn2)C(=O)N(C1=O)C; CN1C(=O)N(
    C)c2nc[nH]c2C1=O; O=C2N(c1ncnc1C(=O)N2C)
    C    		 THEOPHYLLINE
    37168
    TEQ
    CHEMBL5178494    		 1 C21 H19 F N6 InChI=1S/C21H19FN6/c1-12-
    13(5-3-9-24-12)19-10-18(2
    7-21-16(22)11-25-28(19)21
    )14-4-2-6-17-15(14)7-8-20
    (23)26-17/h2-9,11,18-19,2
    7H,10H2,1H3,(H2,23,26)/t1
    8-,19+/m0/s1;
    WSRZNMRSHUJOED-RBUKOAKNSA-N    		 Cc1ncccc1[C@H]2C[C@H](Nc3n2ncc3F)c4cccc5
    nc(N)ccc45; Cc1c(cccn1)[C@H]2C[C@H](Nc3n
    2ncc3F)c4cccc5c4ccc(n5)N; Cc1c(cccn1)C2C
    C(Nc3n2ncc3F)c4cccc5c4ccc(n5)N; Cc1ncccc
    1[CH]2C[CH](Nc3n2ncc3F)c4cccc5nc(N)ccc45    		 5-[(5S,7R)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine;
    5-[(5~{S},7~{R})-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine
    37169
    TER
    CHEMBL151993
    ZINC000027564039    		 5 C10 H26 N4 InChI=1S/C10H26N4/c11-5-1
    -2-7-13-9-4-10-14-8-3-6-1
    2/h13-14H,1-12H2;
    DODDBCGMRAFLEB-UHFFFAOYSA-N    		 C(CCNCCCNCCCN)CN; N(CCCCN)CCCNCCCN; NCCC
    CNCCCNCCCN    		 N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE;
    THERMOSPERMINE;
    PA(334)
    37170
    TES
    CHEMBL386630
    DB00624
    ZINC000118912393    		 55 C19 H28 O2 InChI=1S/C19H28O2/c1-18-9
    -7-13(20)11-12(18)3-4-14-
    15-5-6-17(21)19(15,2)10-8
    -16(14)18/h11,14-17,21H,3
    -10H2,1-2H3/t14-,15-,16-,
    17-,18-,19-/m0/s1;
    MUMGGOZAMZWBJJ-DYKIIFRCSA-N    		 CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C; C[C
    @]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4
    =CC(=O)CC[C@]34C; C[C@]12CC[C@H]3[C@@H](
    CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O;
    C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[C
    H]1CC[CH]2O; O=C4C=C3C(C2CCC1(C(CCC1O)C2
    CC3)C)(C)CC4    		 TESTOSTERONE
    37171
    TET
    ZINC000098209447    		 1 C20 H31 F N3 O23 P3 InChI=1S/C20H31FN3O23P3/c
    1-7(26)22-11-15(44-20(6-2
    1,18(31)32)46-48(34,35)36
    )13(29)8(4-25)43-17(11)45
    -50(39,40)47-49(37,38)41-
    5-9-12(28)14(30)16(42-9)2
    4-3-2-10(27)23-19(24)33/h
    2-3,8-9,11-17,25,28-30H,4
    -6H2,1H3,(H,22,26)(H,31,3
    2)(H,37,38)(H,39,40)(H,23
    ,27,33)(H2,34,35,36)/t8-,
    9-,11-,12-,13-,14-,15-,16
    -,17-,20+/m1/s1;
    FUDVRUWZNPQAFR-BVDGEXFOSA-N    		 O=P(OC1OC(C(O)C(OC(OP(=O)(O)O)(C(=O)O)CF
    )C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(
    =O)NC2=O)C(O)C3O; CC(=O)N[C@@H]1[C@H]([C
    @@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=
    O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=
    CC(=O)NC3=O)O)O)CO)O)O[C@](CF)(C(=O)O)OP
    (=O)(O)O; CC(=O)N[CH]1[CH](O[CH](CO)[CH]
    (O)[CH]1O[C](CF)(O[P](O)(O)=O)C(O)=O)O[P
    ](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[
    CH]2O)N3C=CC(=O)NC3=O; CC(=O)N[C@H]1[C@H
    ](O[C@H](CO)[C@@H](O)[C@@H]1O[C@@](CF)(O
    [P](O)(O)=O)C(O)=O)O[P@](O)(=O)O[P@](O)(
    =O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=C
    C(=O)NC3=O; CC(=O)NC1C(C(C(OC1OP(=O)(O)O
    P(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O
    )CO)O)OC(CF)(C(=O)O)OP(=O)(O)O    		 URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL-3-FLUORO-2-PHOSPHONOOXY)PROPIONIC ACID
    37172
    TEU
    ZINC000031475103    		 3 C12 H22 O11 InChI=1S/C12H22O11/c13-1-
    4(15)7(17)8(18)5(16)3-22-
    12-11(21)10(20)9(19)6(2-1
    4)23-12/h4,6-15,17-21H,1-
    3H2/t4-,6-,7-,8-,9-,10+,1
    1-,12+/m1/s1;
    NMELTECMHKKXLF-DGQJZECASA-N    		 OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO[C@H]
    1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O; C([
    C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(=O
    )[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O; O
    =C(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)CO;
    C(C1C(C(C(C(O1)OCC(=O)C(C(C(CO)O)O)O)O)
    O)O)O; OC[CH](O)[CH](O)[CH](O)C(=O)CO[CH
    ]1O[CH](CO)[CH](O)[CH](O)[CH]1O    		 1-O-alpha-D-glucopyranosyl-D-fructose;
    1-O-alpha-D-glucosyl-D-fructose;
    1-O-D-glucosyl-D-fructose;
    1-O-glucosyl-D-fructose
    37173
    TEV    		 4 C6 H6 N2 O3 InChI=1S/C6H6N2O3/c1-3-2-
    4(5(9)10)8-6(11)7-3/h2H2,
    1H3,(H,9,10);
    ZTBNONONIFESFB-UHFFFAOYSA-N    		 CC1=NC(=O)N=C(C1)C(=O)O; O=C1N=C(CC(=N1)
    C)C(O)=O; CC1=NC(=O)N=C(C1)C(O)=O    		 6-methyl-2-oxo-2,5-dihydropyrimidine-4-carboxylic acid
    37174
    TEW    		 53 O24 Te W6 InChI=1S/O6Te.H2O.17O.6W/
    c1-7(2,3,4,5)6;;;;;;;;;;;
    ;;;;;;;;;;;;;/h;1H2;;;;;;
    ;;;;;;;;;;;;;;;;;/q;;;;;;
    ;;;;;;;6*-1;;;;;;+1/p-1;
    JDLYBIMRCSJRQJ-UHFFFAOYSA-M    		 [O-]=[W]123(O[W]45(=O)(O1[Te]6789O2[W]1(
    =O)(O3)(O6[W]2(=O)(O1)(O7[W]1(=O)(O2)(O8
    [W](=O)(O94)(O5)(O1)[O-])[O-])[O-])[O-])
    [O-])[O]    		 6-tungstotellurate(VI)
    37175
    TEX
    CHEMBL5172923
    ZINC000031333229    		 35 C27 H39 N3 O2 InChI=1S/C27H39N3O2/c1-8-
    27(6,13-9-10-17(2)3)21-11
    -12-22-23-19(15-28-24(21)
    23)14-20(16-31)29-26(32)2
    5(18(4)5)30(22)7/h8,10-12
    ,15,18,20,25,28,31H,1,9,1
    3-14,16H2,2-7H3,(H,29,32)
    /t20-,25-,27-/m0/s1;
    KISDGNGREAJPQR-OICBGKIFSA-N    		 CC(C)C1C(=O)NC(Cc2c[nH]c3c2c(ccc3C(C)(CC
    C=C(C)C)C=C)N1C)CO; CC(C)[CH]1N(C)c2ccc(
    c3[nH]cc(C[CH](CO)NC1=O)c23)[C](C)(CCC=C
    (C)C)C=C; CC(C)[C@@H]1N(C)c2ccc(c3[nH]cc
    (C[C@@H](CO)NC1=O)c23)[C@](C)(CCC=C(C)C)
    C=C; CC(C)[C@H]1C(=O)N[C@@H](Cc2c[nH]c3c
    2c(ccc3[C@](C)(CCC=C(C)C)C=C)N1C)CO; c1c
    c(c3c2c1N(C)C(C(=O)NC(Cc2cn3)CO)C(C)C)C(
    C)([C@H]=C)CC\C=C(/C)C    		 (2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one;
    Teleocidin A 1
    37176
    TEY
    CHEMBL2407821
    ZINC000096273217    		 1 C30 H48 N4 O3 InChI=1S/C30H48N4O3/c1-20
    (8-6-15-29(3,4)37)25-12-1
    3-26-22(9-7-16-30(25,26)5
    )10-11-23-18-27(35)24(28(
    36)21(23)2)14-17-34-32-19
    -31-33-34/h10-11,19-20,24
    -28,35-37H,2,6-9,12-18H2,
    1,3-5H3/b22-10+,23-11-/t2
    0-,24+,25-,26+,27-,28-,30
    -/m1/s1;
    IFHRQILUGOUOIV-YVUZACRZSA-N    		 C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12
    C)=CC=C3C[CH](O)[CH](CCn4ncnn4)[CH](O)C3
    =C; C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C(/
    CCC[C@]12C)=C/C=C3/C[C@@H](O)[C@H](CCn4n
    cnn4)[C@H](O)C3=C; C[C@H](CCCC(C)(C)O)[C
    @H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@
    H]([C@@H]([C@@H](C3=C)O)CCn4ncnn4)O)C; C
    C(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(C
    (C3=C)O)CCn4ncnn4)O)C; n1cnnn1CCC4C(O)CC
    (=C\C=C2/CCCC3(C)C(C(C)CCCC(O)(C)C)CCC23
    )\C(=C)C4O
    37177
    TEZ
    CHEMBL1308822
    ZINC000000258308    		 2 C8 H7 N3 O S InChI=1S/C8H7N3OS/c1-5(12
    )9-6-2-3-7-8(4-6)11-13-10
    -7/h2-4H,1H3,(H,9,12);
    DCJCIZAANYCYFG-UHFFFAOYSA-N    		 CC(=O)Nc1ccc2nsnc2c1; CC(=O)Nc1ccc2c(c1)
    nsn2    		 N-(2,1,3-Benzothiadiazol-5-yl)acetamide;
    ~{N}-(2,1,3-benzothiadiazol-5-yl)ethanamide
    37178
    TF0    		 0 C14 H25 N O11 InChI=1S/C14H25NO11/c1-4(
    18)15-7-12(9(20)6(3-17)24
    -13(7)23)26-14-11(22)10(2
    1)8(19)5(2-16)25-14/h5-14
    ,16-17,19-23H,2-3H2,1H3,(
    H,15,18)/t5-,6-,7-,8+,9+,
    10+,11-,12-,13+,14+/m1/s1;
    HMQPEDMEOBLSQB-IQKNWYLPSA-N    		 CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)
    [C@@H]1O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O
    )[C@H]2O; CC(=O)N[C@@H]1[C@H]([C@H]([C@H
    ](O[C@@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@
    H]([C@H](O2)CO)O)O)O; C2(O)C(OC1C(NC(C)=
    O)C(OC(C1O)CO)O)OC(CO)C(C2O)O; CC(=O)NC1
    C(C(C(OC1O)CO)O)OC2C(C(C(C(O2)CO)O)O)O;
    CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1
    O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O    		 2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranose;
    TF antigen
    37179
    TF1
    CHEMBL316388
    DB08608
    ZINC000003941524    		 2 C18 H20 F3 N3 O3 InChI=1S/C18H20F3N3O3/c1-
    11-10-24(16(26)17(3,27)18
    (19,20)21)12(2)9-23(11)15
    (25)14-6-4-13(8-22)5-7-14
    /h4-7,11-12,27H,9-10H2,1-
    3H3/t11-,12+,17-/m1/s1;
    IWFSHKKFDSWNLZ-BWACUDIHSA-N    		 C[CH]1CN([CH](C)CN1C(=O)c2ccc(cc2)C#N)C(
    =O)[C](C)(O)C(F)(F)F; C[C@@H]1CN([C@@H](
    C)CN1C(=O)c2ccc(cc2)C#N)C(=O)[C@@](C)(O)
    C(F)(F)F; CC1CN(C(CN1C(=O)C(C)(C(F)(F)F)
    O)C)C(=O)c2ccc(cc2)C#N; O=C(c1ccc(C#N)cc
    1)N2CC(N(C(=O)C(O)(C)C(F)(F)F)CC2C)C; C[
    C@H]1CN([C@@H](CN1C(=O)[C@](C)(C(F)(F)F)
    O)C)C(=O)c2ccc(cc2)C#N    		 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-1-YL}CARBONYL)BENZONITRILE
    37180
    TF2
    DB08609
    ZINC000001547315    		 1 C19 H21 F3 N2 O4 S InChI=1S/C19H21F3N2O4S/c1
    -4-24(14-8-6-5-7-9-14)29(
    27,28)15-10-11-16(13(2)12
    -15)23-17(25)18(3,26)19(2
    0,21)22/h5-12,26H,4H2,1-3
    H3,(H,23,25)/t18-/m1/s1;
    SHEIQJGQDUYUBE-GOSISDBHSA-N    		 O=S(=O)(N(c1ccccc1)CC)c2ccc(NC(=O)C(O)(C
    )C(F)(F)F)c(c2)C; CCN(c1ccccc1)S(=O)(=O)
    c2ccc(c(c2)C)NC(=O)C(C)(C(F)(F)F)O; CCN(
    c1ccccc1)[S](=O)(=O)c2ccc(NC(=O)[C](C)(O
    )C(F)(F)F)c(C)c2; CCN(c1ccccc1)[S](=O)(=
    O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(C)c2
    ; CC[N@@](c1ccccc1)S(=O)(=O)c2ccc(c(c2)C
    )NC(=O)[C@](C)(C(F)(F)F)O    		 (N-{4-[(ETHYLANILINO)SULFONYL]-2-METHYLPHENYL}-3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANAMIDE
    37181
    TF3
    CHEMBL1236255
    DB08610
    ZINC000016051834    		 12 C20 H25 Cl N2 O2 InChI=1S/C20H25ClN2O2/c1-
    14(2)17-6-3-15(4-7-17)13-
    25-19-8-5-16(11-18(19)21)
    12-20(24)23-10-9-22/h3-8,
    11,14H,9-10,12-13,22H2,1-
    2H3,(H,23,24);
    DFXJYVQAAFOZDP-UHFFFAOYSA-N    		 Clc2cc(ccc2OCc1ccc(cc1)C(C)C)CC(=O)NCCN;
    CC(C)c1ccc(cc1)COc2ccc(cc2Cl)CC(=O)NCCN
    ; CC(C)c1ccc(COc2ccc(CC(=O)NCCN)cc2Cl)cc
    1    		 N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE
    37182
    TF4
    CHEMBL13960
    DB08809
    ZINC000003830689    		 4 C2 H2 Cl2 O2 InChI=1S/C2H2Cl2O2/c3-1(4
    )2(5)6/h1H,(H,5,6);
    JXTHNDFMNIQAHM-UHFFFAOYSA-N    		 ClC(Cl)C(=O)O; C(C(=O)O)(Cl)Cl; OC(=O)C(
    Cl)Cl    		 DICHLORO-ACETIC ACID
    37183
    TF5
    DB08611
    ZINC000053683246    		 2 C14 H11 F3 O2 InChI=1S/C14H11F3O2/c15-1
    1-6-5-10(13(16)14(11)17)9
    -3-1-2-4-12(9)19-8-7-18/h
    1-6,18H,7-8H2;
    AGXPXFPIOHNDAN-UHFFFAOYSA-N    		 OCCOc1ccccc1c2ccc(F)c(F)c2F; c1ccc(c(c1)
    c2ccc(c(c2F)F)F)OCCO; Fc2ccc(c1ccccc1OCC
    O)c(F)c2F    		 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL
    37184
    TF6    		 0 C19 H19 F3 N2 O3 InChI=1S/C19H19F3N2O3/c20
    -19(21,22)15-4-5-17(23-12
    -15)27-16-3-1-2-14(11-16)
    10-13-6-8-24(9-7-13)18(25
    )26/h1-5,11-13H,6-10H2,(H
    ,25,26);
    KUEKMTNOUPAOBS-UHFFFAOYSA-N    		 FC(F)(F)c1ccc(nc1)Oc2cccc(c2)CC3CCN(C(=O
    )O)CC3; c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)C
    C3CCN(CC3)C(=O)O; OC(=O)N1CCC(CC1)Cc2ccc
    c(Oc3ccc(cn3)C(F)(F)F)c2    		 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid
    37185
    TF7    		 1 C7 H14 N4 O4 S InChI=1S/C7H14N4O4S/c1-7(
    16(14)15,5(8)6(12)13)4-11
    -3-2-9-10-11/h2-3,5,14-16
    H,4,8H2,1H3,(H,12,13)/t5-
    ,7-/m0/s1;
    YZPZKAQMEJGYGB-FSPLSTOPSA-N    		 C[C@](Cn1ccnn1)([C@H](C(=O)O)N)S(O)O; O=
    C(O)C(N)C(S(O)O)(Cn1nncc1)C; C[C](Cn1ccn
    n1)([CH](N)C(O)=O)[SH](O)O; CC(Cn1ccnn1)
    (C(C(=O)O)N)S(O)O; C[C@](Cn1ccnn1)([C@@H
    ](N)C(O)=O)[SH](O)O    		 (3S)-3-(dihydroxy-lambda~4~-sulfanyl)-4-(1H-1,2,3-triazol-1-yl)-D-valine
    37186
    TF8    		 2 C6 H12 O6 InChI=1S/C6H12O6/c1-2(7)3
    (8)4(9)5(10)6(11)12/h2-5,
    7-10H,1H3,(H,11,12)/t2-,3
    -,4-,5+/m0/s1;
    NBFWIISVIFCMDK-NEEWWZBLSA-N    		 C[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O; CC(
    C(C(C(C(=O)O)O)O)O)O; C[C@@H]([C@@H]([C@
    @H]([C@H](C(=O)O)O)O)O)O; C[C@H](O)[C@H]
    (O)[C@H](O)[C@@H](O)C(O)=O    		 (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanoic acid;
    (2~{R},3~{S},4~{S},5~{S})-2,3,4,5-tetrakis(oxidanyl)hexanoic acid
    37187
    TF9    		 1 C15 H20 N2 O4 S InChI=1S/C15H20N2O4S/c1-1
    1(18)12-7-9-14(10-8-12)22
    (20,21)17-15(19)16-13-5-3
    -2-4-6-13/h7-10,13H,2-6H2
    ,1H3,(H2,16,17,19);
    VGZSUPCWNCWDAN-UHFFFAOYSA-N    		 CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2
    ; CC(=O)c1ccc(cc1)[S](=O)(=O)NC(=O)NC2CC
    CCC2    		 1-cyclohexyl-3-(4-ethanoylphenyl)sulfonyl-urea;
    acetohexamide
    37188
    TFA
    CHEMBL506259
    ZINC000003860798    		 75 C2 H F3 O2 InChI=1S/C2HF3O2/c3-2(4,5
    )1(6)7/h(H,6,7);
    DTQVDTLACAAQTR-UHFFFAOYSA-N    		 FC(F)(F)C(=O)O; OC(=O)C(F)(F)F; C(=O)(C(
    F)(F)F)O    		 trifluoroacetic acid
    37189
    TFB
    ZINC000002164321    		 27 C5 H8 O3 InChI=1S/C5H8O3/c6-5(7)4-
    2-1-3-8-4/h4H,1-3H2,(H,6,
    7)/t4-/m0/s1;
    UJJLJRQIPMGXEZ-BYPYZUCNSA-N    		 C1CC(OC1)C(=O)O; O=C(O)C1OCCC1; C1C[C@H]
    (OC1)C(=O)O; OC(=O)[C@@H]1CCCO1; OC(=O)[
    CH]1CCCO1    		 TETRAHYDROFURAN-2-CARBOXYLIC ACID
    37190
    TFC
    CHEMBL89506
    DB08612
    ZINC000034803731    		 1 C11 H19 F3 O S InChI=1S/C11H19F3OS/c1-2-
    3-4-5-6-7-8-16-9-10(15)11
    (12,13)14/h2-9H2,1H3;
    WMQHRXUKAYSPPK-UHFFFAOYSA-N    		 FC(F)(F)C(=O)CSCCCCCCCC; CCCCCCCCSCC(=O)
    C(F)(F)F    		 1,1,1-TRIFLUORO-3-(OCTYLTHIO)ACETONE
    37191
    TFD
    CHEMBL2392771
    ZINC000020458540    		 1 C18 H16 Cl F3 N6 InChI=1S/C18H16ClF3N6/c1-
    11-15(19)17(28-16(26-11)1
    2-5-2-3-8-23-12)25-10-9-2
    4-14-7-4-6-13(27-14)18(20
    ,21)22/h2-8H,9-10H2,1H3,(
    H,24,27)(H,25,26,28);
    BDLJLGRTYOMPEG-UHFFFAOYSA-N    		 Cc1c(c(nc(n1)c2ccccn2)NCCNc3cccc(n3)C(F)
    (F)F)Cl; Cc1nc(nc(NCCNc2cccc(n2)C(F)(F)F
    )c1Cl)c3ccccn3; FC(F)(F)c1nc(ccc1)NCCNc2
    nc(nc(c2Cl)C)c3ncccc3    		 N-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-N'-[6-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine
    37192
    TFE
    ZINC000058632786    		 0 C12 H16 F3 N2 O9 P InChI=1S/C12H16F3N2O9P/c1
    -5-2-17(11(20)16-9(5)19)1
    0-8(24-4-12(13,14)15)7(18
    )6(26-10)3-25-27(21,22)23
    /h2,6-8,10,18H,3-4H2,1H3,
    (H,16,19,20)(H2,21,22,23)
    /t6-,7-,8-,10-/m1/s1;
    YTGJEPUSXBDJRJ-FDDDBJFASA-N    		 FC(F)(F)COC2C(O)C(OC2N1C(=O)NC(=O)C(=C1)
    C)COP(=O)(O)O; CC1=CN(C(=O)NC1=O)[C@H]2[
    C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC(
    F)(F)F; CC1=CN([CH]2O[CH](CO[P](O)(O)=O)
    [CH](O)[CH]2OCC(F)(F)F)C(=O)NC1=O; CC1=C
    N([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[
    C@H]2OCC(F)(F)F)C(=O)NC1=O; CC1=CN(C(=O)
    NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCC(F)(F)
    F    		 2'-O-[2-(TRIFLUORO)ETHYL] THYMIDINE-5'-MONOPHOSPHATE
    37193
    TFF
    ZINC000058655529    		 1 C12 H17 F4 N2 O12 P3 InChI=1S/C12H17F4N2O12P3/
    c1-5-3-18(10(21)17-9(5)20
    )8-2-6(19)7(30-8)4-29-33(
    27,28)12(15,16)31(22,23)1
    1(13,14)32(24,25)26/h3,6-
    8,19H,2,4H2,1H3,(H,22,23)
    (H,27,28)(H,17,20,21)(H2,
    24,25,26)/t6-,7+,8+/m0/s1;
    HHJYLFURQLSDJT-XLPZGREQSA-N    		 CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)C(F
    )(F)[P](O)(=O)C(F)(F)[P](O)(O)=O)O2)C(=O
    )NC1=O; CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(
    =O)(C(F)(F)P(=O)(C(F)(F)P(=O)(O)O)O)O)O;
    CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O
    2)CO[P@@](=O)(C(F)(F)[P@@](=O)(C(F)(F)P(
    =O)(O)O)O)O)O; CC1=CN([C@H]2C[C@H](O)[C@
    @H](CO[P](O)(=O)C(F)(F)[P](O)(=O)C(F)(F)
    [P](O)(O)=O)O2)C(=O)NC1=O    		 5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl](difluoro)methyl}(hydroxy)phosphoryl]thymidine
    37194
    TFG
    DB08613
    ZINC000016052634    		 9 C19 H16 F3 N3 O3 S InChI=1S/C19H16F3N3O3S/c2
    0-19(21,22)18(27,28)15-7-
    6-14(29-15)17(26)24-8-9-2
    5-13(10-23-16(25)11-24)12
    -4-2-1-3-5-12/h1-7,10,27-
    28H,8-9,11H2;
    OFBFUNBBOQCNFX-UHFFFAOYSA-N    		 O=C(c1sc(cc1)C(O)(O)C(F)(F)F)N4Cc3ncc(c2
    ccccc2)n3CC4; OC(O)(c1sc(cc1)C(=O)N2CCn3
    c(C2)ncc3c4ccccc4)C(F)(F)F; c1ccc(cc1)c2
    cnc3n2CCN(C3)C(=O)c4ccc(s4)C(C(F)(F)F)(O
    )O    		 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL
    37195
    TFH    		 0 N2 InChI=1/N2/c1-2;
    IJGRMHOSHXDMSA-UHFFFAOYAF    		 N#N NITROGEN OF TRIFLUORO-ETHYLHYDRAZINE
    37196
    TFI
    DB03202
    ZINC000003870765    		 1 C19 H22 F3 N5 O5 S InChI=1S/C19H22F3N5O5S/c1
    -10(2)15(16(29)19(20,21)2
    2)25-14(28)9-27-17(11-4-6
    -12(23)7-5-11)24-8-13(18(
    27)30)26-33(3,31)32/h4-8,
    10,15,26H,9,23H2,1-3H3,(H
    ,25,28)/t15-/m0/s1;
    JWSWTHSJMGVOKE-HNNXBMFYSA-N    		 FC(F)(F)C(=O)C(NC(=O)CN2C(=O)C(=CN=C2c1c
    cc(N)cc1)NS(=O)(=O)C)C(C)C; CC(C)[C@@H](
    C(=O)C(F)(F)F)NC(=O)CN1C(=NC=C(C1=O)NS(=
    O)(=O)C)c2ccc(cc2)N; CC(C)[CH](NC(=O)CN1
    C(=O)C(=CN=C1c2ccc(N)cc2)N[S](C)(=O)=O)C
    (=O)C(F)(F)F; CC(C)[C@H](NC(=O)CN1C(=O)C
    (=CN=C1c2ccc(N)cc2)N[S](C)(=O)=O)C(=O)C(
    F)(F)F; CC(C)C(C(=O)C(F)(F)F)NC(=O)CN1C(
    =NC=C(C1=O)NS(=O)(=O)C)c2ccc(cc2)N    		 2-[5-METHANESULFONYLAMINO-2-(4-AMINOPHENYL)-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE
    37197
    TFJ    		 1 C32 H58 N2 O8 InChI=1S/C32H58N2O8/c1-9-
    34(21-35)18-16-24(5)31(39
    -8)25(6)26(42-32(37)27-12
    -11-19-40-27)15-14-23(4)2
    9(38-7)20-28(22(2)3)41-30
    (36)13-10-17-33/h16,18,21
    -29,31H,9-15,17,19-20,33H
    2,1-8H3/b18-16+/t23-,24+,
    25-,26+,27+,28-,29-,31+/m
    0/s1;
    DFAGFTKICVXUOP-RYYFKAAMSA-N    		 CCN(C=O)C=C[CH](C)[CH](OC)[CH](C)[CH](CC
    [CH](C)[CH](C[CH](OC(=O)CCCN)C(C)C)OC)OC
    (=O)[CH]1CCCO1; CCN(/C=C/[C@@H](C)[C@H](
    [C@@H](C)[C@@H](CC[C@H](C)[C@H](C[C@@H](
    C(C)C)OC(=O)CCCN)OC)OC(=O)[C@H]1CCCO1)OC
    )C=O; CCN(C=O)/C=C/[C@@H](C)[C@@H](OC)[C
    @@H](C)[C@@H](CC[C@H](C)[C@H](C[C@H](OC(
    =O)CCCN)C(C)C)OC)OC(=O)[C@H]1CCCO1; CCN(
    C=CC(C)C(C(C)C(CCC(C)C(CC(C(C)C)OC(=O)CC
    CN)OC)OC(=O)C1CCCO1)OC)C=O; N(C=O)([C@H]
    =CC(C(C(C)C(CCC(C(OC)CC(C(C)C)OC(=O)CCCN
    )C)OC(C1OCCC1)=O)OC)C)CC    		 (1E,3R,4R,5S,6R,9S,10S,12S)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2R)-oxolane-2-carboxylate
    37198
    TFK
    DB08614
    ZINC000003870910    		 1 C20 H23 F3 N4 O5 S InChI=1S/C20H23F3N4O5S/c1
    -12(2)17(18(29)20(21,22)2
    3)25-16(28)11-27-15(13-7-
    5-4-6-8-13)10-9-14(19(27)
    30)26-33(31,32)24-3/h4-10
    ,12,17,24,26H,11H2,1-3H3,
    (H,25,28)/t17-/m0/s1;
    MYFMPKCOIMRDDD-KRWDZBQOSA-N    		 O=C(NC(C(=O)C(F)(F)F)C(C)C)CN1C(=CC=C(C1
    =O)NS(=O)(=O)NC)c2ccccc2; CC(C)C(C(=O)C(
    F)(F)F)NC(=O)CN1C(=CC=C(C1=O)NS(=O)(=O)N
    C)c2ccccc2; CN[S](=O)(=O)NC1=CC=C(N(CC(=
    O)N[CH](C(C)C)C(=O)C(F)(F)F)C1=O)c2ccccc
    2; CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)CN1C(
    =CC=C(C1=O)NS(=O)(=O)NC)c2ccccc2; CN[S](
    =O)(=O)NC1=CC=C(N(CC(=O)N[C@@H](C(C)C)C(
    =O)C(F)(F)F)C1=O)c2ccccc2    		 3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE
    37199
    TFL
    DB08615
    ZINC000038539054    		 1 C16 H17 N2 O S InChI=1S/C16H16N2OS/c1-17
    (2)12-6-4-11(5-7-12)16-18
    (3)14-9-8-13(19)10-15(14)
    20-16/h4-10H,1-3H3/p+1;
    NOVJJPLRUMZSDK-UHFFFAOYSA-O    		 Oc3ccc1c(sc([n+]1C)c2ccc(N(C)C)cc2)c3; C
    N(C)c1ccc(cc1)c2sc3cc(O)ccc3[n+]2C; C[n+
    ]1c2ccc(cc2sc1c3ccc(cc3)N(C)C)O    		 2-[4-(DIMETHYLAMINO)PHENYL]-6-HYDROXY-3-METHYL-1,3-BENZOTHIAZOL-3-IUM
    37200
    TFM
    CHEMBL323542
    DB02991
    ZINC000003872533    		 2 C10 H11 F3 N2 S InChI=1S/C10H11F3N2S/c1-2
    -16-9(14)15-8-5-3-7(4-6-8
    )10(11,12)13/h3-6H,2H2,1H
    3,(H2,14,15);
    LCMOXIFARISMOH-UHFFFAOYSA-N    		 CCSC(=Nc1ccc(cc1)C(F)(F)F)N; CCSC(N)=Nc1
    ccc(cc1)C(F)(F)F; FC(F)(F)c1ccc(\N=C(/SC
    C)N)cc1    		 S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA
    Reference:
    • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
    • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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