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  • 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 show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    31001 OG4
    CHEMBL4465849    		 5 C23 H21 N5 O4 InChI=1S/C23H21N5O4/c24-2
    3-27-20-19(22(32)28-23)16
    (12-25-20)11-13-5-7-15(8-
    6-13)21(31)26-17-4-2-1-3-
    14(17)9-10-18(29)30/h1-8,
    12H,9-11H2,(H,26,31)(H,29
    ,30)(H4,24,25,27,28,32);
    PABYCMRDFQGQKT-UHFFFAOYSA-N    		 NC1=Nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc4ccccc4C
    CC(O)=O)c2C(=O)N1; c14c(C(=O)NC(=N1)N)c(
    Cc2ccc(cc2)C(Nc3ccccc3CCC(O)=O)=O)cn4; c
    1ccc(c(c1)CCC(=O)O)NC(=O)c2ccc(cc2)Cc3c[
    nH]c4c3C(=O)NC(=N4)N    		 3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid
    31002 OG5 1 C29 H35 N5 O5 S InChI=1S/C29H35N5O5S/c30-
    29(21-11-18-10-19(13-21)1
    4-22(29)12-18)17-32-26(35
    )15-24(20-4-2-1-3-5-20)33
    -40(38,39)23-6-7-25(31-16
    -23)34-27(36)8-9-28(34)37
    /h1-7,16,18-19,21-22,24,3
    3H,8-15,17,30H2,(H,32,35)
    /t18-,19+,21-,22+,24-,29-
    /m1/s1;
    ZHYURJLGEWNOMP-HCCACUNUSA-N    		 NC1(CNC(=O)C[C@@H](N[S](=O)(=O)c2ccc(nc2
    )N3C(=O)CCC3=O)c4ccccc4)C5CC6CC(C5)CC1C6
    ; c1ccc(cc1)[C@@H](CC(=O)NCC2(C3CC4CC(C3
    )CC2C4)N)NS(=O)(=O)c5ccc(nc5)N6C(=O)CCC6
    =O; NC1(CNC(=O)C[CH](N[S](=O)(=O)c2ccc(n
    c2)N3C(=O)CCC3=O)c4ccccc4)C5CC6CC(C5)CC1
    C6; c1ccc(cc1)C(CC(=O)NCC2(C3CC4CC(C3)CC
    2C4)N)NS(=O)(=O)c5ccc(nc5)N6C(=O)CCC6=O    		 (3~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide
    31003 OG6
    ZINC000039953727    		 2 C5 H6 N2 O4 InChI=1S/C5H6N2O4/c8-3-1-
    2(4(9)10)6-5(11)7-3/h1,4,
    9-10H,(H2,6,7,8,11);
    DUGHQFVNXIWPEA-UHFFFAOYSA-N    		 OC(O)C1=CC(=O)NC(=O)N1; C1=C(NC(=O)NC1=O
    )C(O)O    		 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione;
    6-Formyl-uracil hydrate
    31004 OG7
    CHEMBL4536417    		 5 C21 H17 N5 O4 InChI=1S/C21H17N5O4/c22-2
    1-25-17-16(19(28)26-21)13
    (10-23-17)9-11-5-7-12(8-6
    -11)18(27)24-15-4-2-1-3-1
    4(15)20(29)30/h1-8,10H,9H
    2,(H,24,27)(H,29,30)(H4,2
    2,23,25,26,28);
    NQGAZNWSUPTLIO-UHFFFAOYSA-N    		 NC1=NC(=O)c2c(Cc3ccc(cc3)C(=O)Nc4ccccc4C
    (O)=O)c[nH]c2N1; c1ccc(c(c1)C(=O)O)NC(=O
    )c2ccc(cc2)Cc3c[nH]c4c3C(=O)N=C(N4)N; c1
    cc(ccc1C(Nc2ccccc2C(=O)O)=O)Cc4c3c(NC(=N
    C3=O)N)nc4    		 2-({4-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid
    31005 OG8 1 C12 H21 N3 InChI=1S/C12H21N3/c13-11(
    14)15-7-12-4-8-1-9(5-12)3
    -10(2-8)6-12/h8-10H,1-7H2
    ,(H4,13,14,15)/t8-,9+,10-
    ,12-;
    GAYYIZMRYZOIJI-GOCCLTDMSA-N    		 C1C2CC3CC1CC(C2)(C3)CNC(=N)N; [H]/N=C(\N
    )/NCC12CC3CC(C1)CC(C3)C2; NC(=N)NCC12CC3
    CC(CC(C3)C1)C2    		 1-(1-adamantylmethyl)guanidine
    31006 OG9
    ZINC000000395527    		 0 C18 H12 O2 InChI=1S/C18H12O2/c19-16(
    20)10-14-7-6-13-5-4-11-2-
    1-3-12-8-9-15(14)18(13)17
    (11)12/h1-9H,10H2,(H,19,2
    0);
    SDJCLYBBPUHKCD-UHFFFAOYSA-N    		 c1cc2ccc3ccc(c4c3c2c(c1)cc4)CC(=O)O; O=C
    (O)Cc1ccc2ccc3cccc4ccc1c2c34; OC(=O)Cc1c
    cc2ccc3cccc4ccc1c2c34    		 (pyren-1-yl)acetic acid
    31007 OGA
    CHEMBL90852
    ZINC000001534133    		 20 C4 H5 N O5 InChI=1S/C4H5NO5/c6-2(7)1
    -5-3(8)4(9)10/h1H2,(H,5,8
    )(H,6,7)(H,9,10);
    BIMZLRFONYSTPT-UHFFFAOYSA-N    		 OC(=O)CNC(=O)C(O)=O; O=C(O)C(=O)NCC(=O)O
    ; C(C(=O)O)NC(=O)C(=O)O    		 N-OXALYLGLYCINE
    31008 OGB
    ZINC000001757562    		 1 C11 H9 N O2 InChI=1S/C11H9NO2/c1-14-1
    1(13)10-4-2-3-8-7-12-6-5-
    9(8)10/h2-7H,1H3;
    AYIKNXKAUAUIBW-UHFFFAOYSA-N    		 COC(=O)c1cccc2c1ccnc2; COC(=O)c1cccc2cnc
    cc12    		 methyl isoquinoline-5-carboxylate
    31009 OGC 0 C7 H11 N3 O3 InChI=1S/C7H11N3O3/c1-10-
    3-9-2-4(10)6(11)5(8)7(12)
    13/h2-3,5-6,11H,8H2,1H3,(
    H,12,13)/t5-,6-/m1/s1;
    JEWWRPRBMRIIAC-PHDIDXHHSA-N    		 Cn1cncc1[C@H]([C@H](C(=O)O)N)O; Cn1cncc1
    [C@@H](O)[C@@H](N)C(O)=O; Cn1cncc1[CH](O
    )[CH](N)C(O)=O; Cn1cncc1C(C(C(=O)O)N)O    		 gamma-N-methyl-beta-OH-histidine;
    (2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid;
    3-(1H-imidazol-3-ium-4-yl)-L-alanine
    31010 OGE
    ZINC000096013059    		 1 C8 H10 Br N3 O2 InChI=1S/C8H10BrN3O2/c9-6
    -1-2-7(11-5-6)12-8(14)10-
    3-4-13/h1-2,5,13H,3-4H2,(
    H2,10,11,12,14);
    DWHYNYBZZGQFNY-UHFFFAOYSA-N    		 OCCNC(=O)Nc1ccc(Br)cn1; c1cc(ncc1Br)NC(=
    O)NCCO    		 1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea
    31011 OGF 1 C21 H20 N6 O2 S InChI=1S/C21H20N6O2S/c1-2
    2-21(29)23-16-6-8-17(9-7-
    16)26(12-15-10-11-30-14-1
    5)20(28)13-27-19-5-3-2-4-
    18(19)24-25-27/h2-11,14H,
    12-13H2,1H3,(H2,22,23,29);
    VEPQAUCCEYXBOH-UHFFFAOYSA-N    		 CNC(=O)Nc1ccc(cc1)N(Cc2cscc2)C(=O)Cn3nnc
    4ccccc34; O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)
    c1ccc(NC(=O)NC)cc1; CNC(=O)Nc1ccc(cc1)N(
    Cc2ccsc2)C(=O)Cn3c4ccccc4nn3    		 2-(1H-benzotriazol-1-yl)-N-[4-(methylcarbamamido)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
    31012 OGG 0 C6 H12 N2 O4 InChI=1S/C6H12N2O4/c7-5(9
    )3-11-1-2-12-4-6(8)10/h1-
    4H2,(H2,7,9)(H2,8,10);
    XEXSGNBDGFXDDF-UHFFFAOYSA-N    		 C(COCC(=O)N)OCC(=O)N; NC(=O)COCCOCC(N)=O
    ; O=C(N)COCCOCC(=O)N    		 2-(2-CARBAMOYLMETHOXY-ETHOXY)-ACETAMIDE
    31013 OGH 2 C21 H21 F N8 O InChI=1S/C21H21FN8O/c1-9-
    25-5-11(6-26-9)31-21-28-1
    9-16(12-3-10(22)4-15(24-2
    )18(12)27-19)20(29-21)30-
    7-13-14(8-30)17(13)23/h3-
    6,13-14,17,24H,7-8,23H2,1
    -2H3,(H,27,28,29)/t13-,14
    +,17+;
    GOOKXTQTAFDVNH-HALDLXJZSA-N    		 CNc1cc(F)cc2c1[nH]c3nc(Oc4cnc(C)nc4)nc(N
    5C[CH]6C(N)[CH]6C5)c23; Cc1ncc(cn1)Oc2nc
    3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5CC6C(C5)C
    6N; CNc1cc(F)cc2c1[nH]c3nc(Oc4cnc(C)nc4)
    nc(N5C[C@H]6C(N)[C@H]6C5)c23; Cc1ncc(cn1
    )Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C
    @@H]6[C@H](C5)C6N    		 4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine
    31014 OGJ
    CHEMBL4447340
    DB14934    		 2 C28 H28 F N O4 InChI=1S/C28H28FNO4/c1-18
    -25-14-23(32)7-10-26(25)3
    4-28(27(18)21-3-2-4-22(31
    )13-21)20-5-8-24(9-6-20)3
    3-12-11-30-16-19(15-29)17
    -30/h2-10,13-14,19,28,31-
    32H,11-12,15-17H2,1H3/t28
    -/m0/s1;
    KJAAPZIFCQQQKX-NDEPHWFRSA-N    		 CC1=C([CH](Oc2ccc(O)cc12)c3ccc(OCCN4CC(C
    F)C4)cc3)c5cccc(O)c5; CC1=C([C@@H](Oc2c1
    cc(cc2)O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(
    c5)O; CC1=C(C(Oc2c1cc(cc2)O)c3ccc(cc3)OC
    CN4CC(C4)CF)c5cccc(c5)O; C4(c2ccc(OCCN1C
    C(C1)CF)cc2)Oc3ccc(cc3C(=C4c5cccc(c5)O)C
    )O; CC1=C([C@@H](Oc2ccc(O)cc12)c3ccc(OCC
    N4CC(CF)C4)cc3)c5cccc(O)c5    		 (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol
    31015 OGK
    ZINC000058638469    		 16 C18 H27 N O4 InChI=1S/C18H27NO4/c1-3-1
    0-7-13-12(5-6-15(13)20)14
    (8-10)16(21)19-18(17(22)2
    3)9-11(18)4-2/h10-14H,3-9
    H2,1-2H3,(H,19,21)(H,22,2
    3)/t10-,11+,12+,13+,14+,1
    8+/m1/s1;
    YYTFHRRGIDEJIS-FNEQEMTHSA-N    		 O=C(NC1(C(=O)O)CC1CC)C3CC(CC)CC2C(=O)CCC
    23; CC[C@@H]1C[C@H]2[C@H](CCC2=O)[C@H](C
    1)C(=O)N[C@]3(C[C@@H]3CC)C(=O)O; CC[CH]1
    C[CH]2[CH](CCC2=O)[CH](C1)C(=O)N[C]3(C[C
    H]3CC)C(O)=O; CC[C@@H]1C[C@H]2[C@H](CCC2
    =O)[C@H](C1)C(=O)N[C@]3(C[C@@H]3CC)C(O)=
    O; CCC1CC2C(CCC2=O)C(C1)C(=O)NC3(CC3CC)C
    (=O)O    		 (1S,2S)-2-ethyl-1-({[(3aS,4S,6R,7aS)-6-ethyl-1-oxooctahydro-1H-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid;
    Coronatine
    31016 OGM 1 C10 H17 N3 O3 InChI=1S/C10H17N3O3/c1-16
    -10(15)11-5-3-2-4-9-12-6-
    8(7-14)13-9/h6,14H,2-5,7H
    2,1H3,(H,11,15)(H,12,13);
    FLDJBEVUBLZUEF-UHFFFAOYSA-N    		 COC(=O)NCCCCc1[nH]c(CO)cn1; COC(=O)NCCCC
    c1[nH]c(cn1)CO; COC(=O)NCCCCc1nc(CO)cn1    		 methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
    31017 OGN
    ZINC000044154749    		 2 C15 H19 N3 O7 InChI=1S/C15H19N3O7/c1-8(
    20)16-11-13(22)12(21)10(7
    -19)24-14(11)18-25-15(23)
    17-9-5-3-2-4-6-9/h2-6,10-
    13,19,21-22H,7H2,1H3,(H,1
    6,20)(H,17,23)/b18-14-/t1
    0-,11-,12+,13-/m1/s1;
    PBLNJFVQMUMOJY-UYZOWNTJSA-N    		 CC(=O)NC1C(C(C(OC1=NOC(=O)Nc2ccccc2)CO)O
    )O; CC(=O)N[C@@H]\1[C@H]([C@H]([C@H](O/C
    1=N\OC(=O)Nc2ccccc2)CO)O)O; CC(=O)N[CH]1
    [CH](O)[CH](O)[CH](CO)OC1=NOC(=O)Nc2cccc
    c2; O=C(O\N=C1/OC(CO)C(O)C(O)C1NC(=O)C)N
    c2ccccc2; CC(=O)N[C@@H]\1[C@@H](O)[C@@H]
    (O)[C@@H](CO)OC\1=N\OC(=O)Nc2ccccc2    		 [(Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate;
    Gal-PUGNAc
    31018 OGO 1 C20 H18 N2 O4 InChI=1S/C20H18N2O4/c1-25
    -17-8-4-5-9-18(17)26-13-1
    1-22(12-13)20(24)15-10-19
    (23)21-16-7-3-2-6-14(15)1
    6/h2-10,13H,11-12H2,1H3,(
    H,21,23);
    CEVTZHLIFCWJPO-UHFFFAOYSA-N    		 COc1ccccc1OC2CN(C2)C(=O)C3=CC(=O)Nc4cccc
    c34; COc1ccccc1OC2CN(C2)C(=O)C3=CC(=O)Nc
    4c3cccc4; O=C(C1=CC(=O)Nc2ccccc21)N1CC(O
    c2ccccc2OC)C1    		 4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]quinolin-2(1H)-one
    31019 OGQ 1 C33 H32 N3 O4 InChI=1S/C33H31N3O4/c1-20
    -6-8-21(9-7-20)19-34-32(3
    7)22-10-13-25(33(38)39)28
    (16-22)31-26-14-11-23(35(
    2)3)17-29(26)40-30-18-24(
    36(4)5)12-15-27(30)31/h6-
    18H,19H2,1-5H3,(H-,34,37,
    38,39)/p+1;
    VRTFWVCUZQBQCQ-UHFFFAOYSA-O    		 CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O
    )=O)C(=O)NCc5ccc(C)cc5)=[N+](C)C)c1; Cc1
    ccc(cc1)CNC(=O)c2ccc(c(c2)C3=C4C=CC(=[N+
    ](C)C)C=C4Oc5c3ccc(c5)N(C)C)C(=O)O    		 [9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
    31020 OGS
    CHEMBL4086163    		 2 C20 H32 O9 S InChI=1S/C20H32O9S/c1-2-3
    -4-5-6-7-8-14-9-11-15(12-
    10-14)28-20-19(23)18(22)1
    7(21)16(29-20)13-27-30(24
    ,25)26/h9-12,16-23H,2-8,1
    3H2,1H3,(H,24,25,26)/t16-
    ,17-,18+,19-,20+/m1/s1;
    YVWGSDRSYRDYCF-OBKDMQGPSA-N    		 C2(C(O)C(O)C(Oc1ccc(cc1)CCCCCCCC)OC2COS(
    =O)(O)=O)O; CCCCCCCCc1ccc(O[CH]2O[CH](CO
    [S](O)(=O)=O)[CH](O)[CH](O)[CH]2O)cc1; C
    CCCCCCCc1ccc(O[C@H]2O[C@H](CO[S](O)(=O)=
    O)[C@@H](O)[C@H](O)[C@H]2O)cc1; CCCCCCCC
    c1ccc(cc1)OC2C(C(C(C(O2)COS(=O)(=O)O)O)O
    )O; CCCCCCCCc1ccc(cc1)O[C@@H]2[C@@H]([C@
    H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O)O    		 4-octylphenyl 6-O-sulfo-alpha-D-glucopyranoside
    31021 OGT 0 C8 H16 O6 InChI=1S/C8H16O6/c1-2-13-
    8-7(12)6(11)5(10)4(3-9)14
    -8/h4-12H,2-3H2,1H3;
    WYUFTYLVLQZQNH-UHFFFAOYSA-N    		 CCOC1C(C(C(C(O1)CO)O)O)O; CCOC1OC(CO)C(O
    )C(O)C1O; CCO[C@@H]1[C@@H]([C@@H]([C@@H]
    ([C@H](O1)CO)O)O)O    		 2-ETHOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL
    31022 OGU
    ZINC000001695856    		 0 C4 H8 O4 InChI=1S/C4H8O4/c1-2(5)3(
    6)4(7)8/h2-3,5-6H,1H3,(H,
    7,8)/t2-,3+/m0/s1;
    LOUGYXZSURQALL-STHAYSLISA-N    		 C[C@H](O)[C@@H](O)C(O)=O; CC(C(C(=O)O)O)
    O; C[C@@H]([C@H](C(=O)O)O)O; C[CH](O)[CH
    ](O)C(O)=O    		 2,3-diOH-butyric acid;
    (2~{R},3~{S})-2,3-bis(oxidanyl)butanoic acid;
    (2R,3S)-2,3-dihydroxybutyric acid
    31023 OGV 1 C14 H11 Cl N4 O InChI=1S/C14H11ClN4O/c15-
    11-5-3-4-10(8-11)9-13(20)
    16-14-18-17-12-6-1-2-7-19
    (12)14/h1-8H,9H2,(H,16,18
    ,20);
    PICHRHZICCXQLR-UHFFFAOYSA-N    		 Clc1cccc(c1)CC(=O)Nc1nnc2ccccn21; c1ccn2
    c(c1)nnc2NC(=O)Cc3cccc(c3)Cl; Clc1cccc(C
    C(=O)Nc2nnc3ccccn23)c1    		 2-(3-chlorophenyl)-N-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
    31024 OGX
    ZINC000058649475    		 0 C12 H19 N6 O7 P S InChI=1S/C12H19N6O7PS/c13
    -11-16-9-8(10(20)17-11)15
    -12(21)18(9)7-3-5(19)6(25
    -7)4-24-26(22,23)14-1-2-2
    7/h5-7,19,27H,1-4H2,(H,15
    ,21)(H2,14,22,23)(H3,13,1
    6,17,20)/t5-,6+,7+/m0/s1;
    QTNBODRGZGXUEH-RRKCRQDMSA-N    		 NC1=NC2=C(NC(=O)N2[C@H]3C[C@H](O)[C@@H](
    CO[P](O)(=O)NCCS)O3)C(=O)N1; C1[C@@H]([C
    @H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO
    [P@](=O)(NCCS)O)O; NC1=NC2=C(NC(=O)N2[CH
    ]3C[CH](O)[CH](CO[P](O)(=O)NCCS)O3)C(=O)
    N1; C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)
    COP(=O)(NCCS)O)O; O=P(O)(OCC3OC(N2C(=O)N
    C1=C2N=C(N)NC1=O)CC3O)NCCS    		 2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}-8-oxoguanosine
    31025 OGY 4 C13 H16 N2 O InChI=1S/C13H16N2O/c16-10
    -12-9-14-13(15-12)8-4-7-1
    1-5-2-1-3-6-11/h1-3,5-6,9
    ,16H,4,7-8,10H2,(H,14,15);
    YJBVUMXRLPWRCM-UHFFFAOYSA-N    		 c1ccc(cc1)CCCc2[nH]cc(n2)CO; OCc1c[nH]c(
    CCCc2ccccc2)n1; c1(ccccc1)CCCc2ncc(CO)n2    		 [2-(3-phenylpropyl)-1H-imidazol-4-yl]methanol
    31026 OGZ
    CHEMBL13024
    ZINC000001841067    		 0 C8 H8 F3 N InChI=1S/C8H8F3N/c9-8(10,
    11)7-3-1-2-6(4-7)5-12/h1-
    4H,5,12H2;
    YKNZTUQUXUXTLE-UHFFFAOYSA-N    		 c1cc(cc(c1)C(F)(F)F)CN; NCc1cccc(c1)C(F)
    (F)F    		 [3-(trifluoromethyl)phenyl]methanamine
    31027 OH
    DB14522    		 10 H O InChI=1S/H2O/h1H2/p-1;
    XLYOFNOQVPJJNP-UHFFFAOYSA-M    		 [OH-] HYDROXIDE ION
    31028 OH0 3 C10 H19 N O4 InChI=1S/C10H19NO4/c1-2-3
    -4-5-6-9(12)11(15)8-7-10(
    13)14/h15H,2-8H2,1H3,(H,1
    3,14);
    DOYDHAWEPMQVFZ-UHFFFAOYSA-N    		 CCCCCCC(=O)N(O)CCC(O)=O; CCCCCCC(=O)N(CC
    C(=O)O)O; O=C(O)CCN(O)C(=O)CCCCCC    		 N-heptanoyl-N-hydroxy-beta-alanine
    31029 OH1 2 C15 H19 N3 O2 InChI=1S/C15H19N3O2/c19-1
    1-13-10-17-14(18-13)8-4-5
    -9-16-15(20)12-6-2-1-3-7-
    12/h1-3,6-7,10,19H,4-5,8-
    9,11H2,(H,16,20)(H,17,18);
    JCUWYBMNDMMIAC-UHFFFAOYSA-N    		 c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO; OCc1
    c[nH]c(CCCCNC(=O)c2ccccc2)n1; C(NC(c1ccc
    cc1)=O)CCCc2ncc(CO)n2    		 N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide
    31030 OH4 1 C14 H18 N2 O2 InChI=1S/C14H18N2O2/c1-18
    -13(11-5-3-2-4-6-11)7-8-1
    4-15-9-12(10-17)16-14/h2-
    6,9,13,17H,7-8,10H2,1H3,(
    H,15,16)/t13-/m0/s1;
    CXHFIZNFHVDWKU-ZDUSSCGKSA-N    		 CO[CH](CCc1[nH]cc(CO)n1)c2ccccc2; CO[C@@
    H](CCc1[nH]cc(CO)n1)c2ccccc2; COC(CCc1[n
    H]cc(n1)CO)c2ccccc2; n2c(CCC(c1ccccc1)OC
    )nc(c2)CO; CO[C@@H](CCc1[nH]cc(n1)CO)c2c
    cccc2    		 {2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol
    31031 OH5 1 C12 H17 N O2 InChI=1S/C12H17NO2/c1-9(1
    2(14)15)7-11(13)8-10-5-3-
    2-4-6-10/h2-6,9,11H,7-8,1
    3H2,1H3,(H,14,15)/t9-,11+
    /m0/s1;
    TVHNWAKCVXFPNB-GXSJLCMTSA-N    		 CC(CC(Cc1ccccc1)N)C(=O)O; C[CH](C[CH](N)
    Cc1ccccc1)C(O)=O; C[C@@H](C[C@H](Cc1cccc
    c1)N)C(=O)O; C[C@@H](C[C@@H](N)Cc1ccccc1
    )C(O)=O    		 (2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid
    31032 OH6 1 C37 H64 N7 O17 P3 S InChI=1S/C37H64N7O17P3S/c
    1-4-5-6-7-8-9-10-11-12-13
    -14-15-16-17-28(46)65-21-
    20-39-27(45)18-19-40-35(4
    9)32(48)37(2,3)23-58-64(5
    5,56)61-63(53,54)57-22-26
    -31(60-62(50,51)52)30(47)
    36(59-26)44-25-43-29-33(3
    8)41-24-42-34(29)44/h9-10
    ,24-26,30-32,36,47-48H,4-
    8,11-23H2,1-3H3,(H,39,45)
    (H,40,49)(H,53,54)(H,55,5
    6)(H2,38,41,42)(H2,50,51,
    52)/b10-9-/t26-,30-,31+,3
    2+,36-/m1/s1;
    QBYOCCWNZAOZTL-SDUGNUESSA-N    		 CCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C
    H](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; CCCCCC\C=C/CCCCCCCC(=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)ncnc23; CCCCCC\C=C/
    CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)
    COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc
    32)C(O)C1OP(=O)(O)O; CCCCCC/C=C\CCCCCCCC
    (=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; CCC
    CCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C
    )(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cn
    c3c2ncnc3N)O)OP(=O)(O)O)O    		 ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{Z})-hexadec-9-enethioate;
    Palmitoleoyl-CoA
    31033 OH7 2 C10 H17 N3 O2 InChI=1S/C10H17N3O2/c1-8(
    15)11-5-3-2-4-10-12-6-9(7
    -14)13-10/h6,14H,2-5,7H2,
    1H3,(H,11,15)(H,12,13);
    RGIIKOKBGRWBCV-UHFFFAOYSA-N    		 CC(=O)NCCCCc1[nH]cc(CO)n1; CC(=O)NCCCCc1
    [nH]cc(n1)CO; C(NC(C)=O)CCCc1ncc(CO)n1    		 N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide
    31034 OH8 1 C25 H33 N5 O3 InChI=1S/C25H33N5O3/c1-17
    (2)33-21-12-20(15-26-16-2
    1)19-4-5-23-22(13-19)24(2
    9-28-23)25(31)27-14-18-6-
    8-30(9-7-18)10-11-32-3/h4
    -5,12-13,15-18H,6-11,14H2
    ,1-3H3,(H,27,31)(H,28,29);
    PKDWPGOXVXMHCS-UHFFFAOYSA-N    		 CC(C)Oc1cc(cnc1)c2ccc3c(c2)c(n[nH]3)C(=O
    )NCC4CCN(CC4)CCOC; COCCN1CCC(CC1)CNC(=O)
    c2n[nH]c3ccc(cc23)c4cncc(OC(C)C)c4    		 ~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxypyridin-3-yl)-1~{H}-indazole-3-carboxamide
    31035 OH9 2 C11 H17 N5 O10 P2 InChI=1S/C11H17N5O10P2/c1
    -23-27(19,20)26-28(21,22)
    24-2-5-7(17)8(18)11(25-5)
    16-4-15-6-9(12)13-3-14-10
    (6)16/h3-5,7-8,11,17-18H,
    2H2,1H3,(H,19,20)(H,21,22
    )(H2,12,13,14)/t5-,7-,8-,
    11-/m1/s1;
    RUEXVBUEYZJEHS-IOSLPCCCSA-N    		 CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH]
    (O)[CH]1O)n2cnc3c(N)ncnc23; COP(=O)(O)OP
    (=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2
    cnc3c2ncnc3N)O)O; CO[P](O)(=O)O[P](O)(=O
    )OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c
    (N)ncnc23; COP(=O)(O)OP(=O)(O)OCC1C(C(C(
    O1)n2cnc3c2ncnc3N)O)O    		 beta-methyl-adenosine diphosphate;
    [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] methyl hydrogen phosphate;
    [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] methyl hydrogen phosphate;
    beta-methyl-ADP
    31036 OHA 4 C16 H30 O3 InChI=1S/C16H30O3/c1-2-3-
    4-9-12-15(17)13-10-7-5-6-
    8-11-14-16(18)19/h2-14H2,
    1H3,(H,18,19);
    VBFPQNKLKQDSCH-UHFFFAOYSA-N    		 CCCCCCC(=O)CCCCCCCCC(=O)O; O=C(CCCCCC)CC
    CCCCCCC(=O)O; CCCCCCC(=O)CCCCCCCCC(O)=O    		 10-oxohexadecanoic acid
    31037 OHB
    CHEMBL27577
    DB08797
    ZINC000000002055    		 10 C7 H7 N O2 InChI=1S/C7H7NO2/c8-7(10)
    5-3-1-2-4-6(5)9/h1-4,9H,(
    H2,8,10);
    SKZKKFZAGNVIMN-UHFFFAOYSA-N    		 c1ccc(c(c1)C(=O)N)O; NC(=O)c1ccccc1O; O=
    C(c1ccccc1O)N    		 salicylamide;
    2-hydroxybenzamide
    31038 OHC 1 C17 H18 Cl N3 O2 InChI=1S/C17H18ClN3O2/c1-
    11-3-4-19-10-16(11)21-17(
    23)8-13-5-14(7-15(18)6-13
    )9-20-12(2)22/h3-7,10H,8-
    9H2,1-2H3,(H,20,22)(H,21,
    23);
    XDVRTJWPDGZLAS-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)CNC(=O)C;
    O=C(Nc1cnccc1C)Cc1cc(CNC(C)=O)cc(Cl)c1;
    CC(=O)NCc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1    		 2-[3-(acetamidomethyl)-5-chlorophenyl]-N-(4-methylpyridin-3-yl)acetamide
    31039 OHD 0 C14 H14 Cl N3 O4 InChI=1S/C14H14ClN3O4/c1-
    7(16)13-17-10(14(22)18(13
    )6-12(20)21)5-8-2-3-11(19
    )9(15)4-8/h2-5,7,19H,6,16
    H2,1H3,(H,20,21)/b10-5-/t
    7-/m0/s1;
    JUGKPHPDTRUHCK-ZHNVUNHESA-N    		 CC(C1=NC(=Cc2ccc(c(c2)Cl)O)C(=O)N1CC(=O)
    O)N; C[C@@H](C1=N/C(=C\c2ccc(c(c2)Cl)O)/
    C(=O)N1CC(=O)O)N; NC(C)C1=N/C(C(N1CC(O)=
    O)=O)=C\c2ccc(c(c2)Cl)O; C[CH](N)C1=NC(=
    Cc2ccc(O)c(Cl)c2)C(=O)N1CC(O)=O; C[C@H](
    N)C1=N\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1CC(O)
    =O    		 {(4Z)-2-[(1S)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
    PEPTIDE DERIVED CHROMOPHORE
    31040 OHE 0 C2 H6 O InChI=1/C2H6O/c1-2-3/h3H,
    2H2,1H3;
    LFQSCWFLJHTTHZ-UHFFFAOYAB    		 CCO; OCC HYDROXYETHYL GROUP
    31041 OHF
    CHEMBL5314424
    DB18071    		 4 C20 H22 N2 O6 InChI=1S/C20H22N2O6/c23-9
    -6-17-15(3-2-7-21-17)20(2
    6)22-8-10-27-12-14(22)13-
    28-19-5-1-4-18(25)16(19)1
    1-24/h1-5,7,11,14,23,25H,
    6,8-10,12-13H2/t14-/m0/s1;
    NIWBSQAKKNNWBT-AWEZNQCLSA-N    		 c1cc(c(c(c1)OCC2COCCN2C(=O)c3cccnc3CCO)C
    =O)O; O=C(N1CCOCC1COc1cccc(O)c1C=O)c1ccc
    nc1CCO; c1cc(c(c(c1)OC[C@@H]2COCCN2C(=O)
    c3cccnc3CCO)C=O)O; OCCc1ncccc1C(=O)N2CCO
    C[CH]2COc3cccc(O)c3C=O; OCCc1ncccc1C(=O)
    N2CCOC[C@H]2COc3cccc(O)c3C=O    		 2-hydroxy-6-({(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl}methoxy)benzaldehyde
    31042 OHG
    ZINC000012336500    		 1 C5 H8 N2 O InChI=1S/C5H8N2O/c1-4-6-2
    -5(3-8)7-4/h2,8H,3H2,1H3,
    (H,6,7);
    MQRMTENGXFRETM-UHFFFAOYSA-N    		 Cc1[nH]cc(n1)CO; Cc1[nH]cc(CO)n1; Cc1nc(
    cn1)CO    		 (2-methyl-1H-imidazol-4-yl)methanol
    31043 OHH
    DB04016
    ZINC000024666930    		 2 C40 H35 N2 O6 P InChI=1S/C40H35N2O6P/c1-4
    1(32-19-21-42(22-20-32)39
    (44)31-18-17-26-9-2-3-11-
    28(26)23-31)40(45)36-25-3
    0-13-5-4-12-29(30)24-35(3
    6)37(43)38(49(46,47)48)34
    -16-8-14-27-10-6-7-15-33(
    27)34/h2-18,23-25,32,38H,
    19-22H2,1H3,(H2,46,47,48)
    /t38-/m1/s1;
    XUJQPDQURBZEGJ-KXQOOQHDSA-N    		 CN(C1CCN(CC1)C(=O)c2ccc3ccccc3c2)C(=O)c4
    cc5ccccc5cc4C(=O)C(c6cccc7c6cccc7)P(=O)(
    O)O; CN(C1CCN(CC1)C(=O)c2ccc3ccccc3c2)C(
    =O)c4cc5ccccc5cc4C(=O)[C@@H](c6cccc7c6cc
    cc7)P(=O)(O)O; CN(C1CCN(CC1)C(=O)c2ccc3c
    cccc3c2)C(=O)c4cc5ccccc5cc4C(=O)[CH](c6c
    ccc7ccccc67)[P](O)(O)=O; O=C(c2cc1ccccc1
    cc2)N7CCC(N(C(=O)c6cc3ccccc3cc6C(=O)C(c5
    c4ccccc4ccc5)P(=O)(O)O)C)CC7; CN(C1CCN(C
    C1)C(=O)c2ccc3ccccc3c2)C(=O)c4cc5ccccc5c
    c4C(=O)[C@@H](c6cccc7ccccc67)[P](O)(O)=O    		 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID
    31044 OHI 0 C6 H7 N3 O3 InChI=1S/C6H7N3O3/c7-4(5(
    10)11)1-3-2-8-6(12)9-3/h2
    ,4H,1,7H2,(H,10,11)/t4-/m
    0/s1;
    MWUSZYAURGSGRY-BYPYZUCNSA-N    		 O=C1N=C(C=N1)CC(N)C(=O)O; N[CH](CC1=NC(=
    O)N=C1)C(O)=O; N[C@@H](CC1=NC(=O)N=C1)C(
    O)=O; C1=NC(=O)N=C1C[C@@H](C(=O)O)N; C1=
    NC(=O)N=C1CC(C(=O)O)N    		 3-(2-OXO-2H-IMIDAZOL-4-YL)-L-ALANINE
    31045 OHJ
    ZINC000012956117    		 2 C8 H14 N2 O InChI=1S/C8H14N2O/c1-2-3-
    4-8-9-5-7(6-11)10-8/h5,11
    H,2-4,6H2,1H3,(H,9,10);
    UZKBZGAMRJRWLR-UHFFFAOYSA-N    		 CCCCc1[nH]cc(n1)CO; CCCCc1[nH]cc(CO)n1;
    C(c1cnc(CCCC)n1)O    		 (2-butyl-1H-imidazol-4-yl)methanol
    31046 OHK 2 C22 H26 N4 O3 InChI=1S/C22H26N4O3/c1-15
    (2)29-20-9-18(11-23-13-20
    )17-3-4-19-12-24-21(26(19
    )14-17)22(27)25-10-16-5-7
    -28-8-6-16/h3-4,9,11-16H,
    5-8,10H2,1-2H3,(H,25,27);
    HHJCFPYPXNXIIT-UHFFFAOYSA-N    		 CC(C)Oc1cncc(c1)c2ccc3cnc(n3c2)C(=O)NCC4
    CCOCC4; CC(C)Oc1cc(cnc1)c2ccc3cnc(n3c2)C
    (=O)NCC4CCOCC4    		 ~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide
    31047 OHL
    CHEMBL315949
    ZINC000013764109    		 1 C15 H17 N3 O5 S InChI=1S/C15H17N3O5S/c1-2
    3-13-2-4-14(5-3-13)24(21,
    22)18(11-15(19)17-20)10-1
    2-6-8-16-9-7-12/h2-9,20H,
    10-11H2,1H3,(H,17,19);
    BWTYNJYIHZVAOW-UHFFFAOYSA-N    		 COc1ccc(cc1)S(=O)(=O)[N@@](Cc2ccncc2)CC(
    =O)NO; COc1ccc(cc1)[S](=O)(=O)N(CC(=O)NO
    )Cc2ccncc2; O=S(=O)(N(Cc1ccncc1)CC(=O)NO
    )c2ccc(OC)cc2; COc1ccc(cc1)S(=O)(=O)N(Cc
    2ccncc2)CC(=O)NO    		 N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide;
    N-Hydroxy-2-(4-methoxy-N-(pyridine-3-ylmethyl)phenylsulfonamido)acetamide
    31048 OHM
    CHEMBL1234965
    DB08323
    ZINC000053683081    		 4 C16 H28 N2 O3 InChI=1S/C16H28N2O3/c1-2-
    3-4-5-6-7-8-9-13(19)12-15
    (20)18-14-10-11-17-16(14)
    21/h14H,2-12H2,1H3,(H,17,
    21)(H,18,20)/t14-/m0/s1;
    VEYZCVBECUYIJZ-AWEZNQCLSA-N    		 O=C1NCCC1NC(=O)CC(=O)CCCCCCCCC; CCCCCCCC
    CC(=O)CC(=O)N[CH]1CCNC1=O; CCCCCCCCCC(=O
    )CC(=O)NC1CCNC1=O; CCCCCCCCCC(=O)CC(=O)N
    [C@H]1CCNC1=O    		 3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE
    31049 OHN
    CHEMBL8483
    DB08324
    ZINC000008436851    		 23 C16 H27 N O4 InChI=1S/C16H27NO4/c1-2-3
    -4-5-6-7-8-9-13(18)12-15(
    19)17-14-10-11-21-16(14)2
    0/h14H,2-12H2,1H3,(H,17,1
    9)/t14-/m0/s1;
    PHSRRHGYXQCRPU-AWEZNQCLSA-N    		 CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O; CCCC
    CCCCCC(=O)CC(=O)NC1CCOC1=O; O=C1OCCC1NC(
    =O)CC(=O)CCCCCCCCC; CCCCCCCCCC(=O)CC(=O)
    N[CH]1CCOC1=O    		 N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE
    31050 OHO
    ZINC000005188780    		 4 C7 H13 N O2 InChI=1S/C7H13NO2/c9-7(10
    )8-6-4-2-1-3-5-6/h6,8H,1-
    5H2,(H,9,10);
    OQQXGCLLMDQESN-UHFFFAOYSA-N    		 O=C(O)NC1CCCCC1; OC(=O)NC1CCCCC1; C1CCC(
    CC1)NC(=O)O    		 CYCLOHEXANE AMINOCARBOXYLIC ACID
    31051 OHP
    CHEMBL240714
    ZINC000000164777    		 2 C8 H8 O3 InChI=1S/C8H8O3/c9-7-4-2-
    1-3-6(7)5-8(10)11/h1-4,9H
    ,5H2,(H,10,11);
    CCVYRRGZDBSHFU-UHFFFAOYSA-N    		 O=C(O)Cc1ccccc1O; c1ccc(c(c1)CC(=O)O)O;
    OC(=O)Cc1ccccc1O    		 (2-HYDROXYPHENYL)ACETIC ACID
    31052 OHR 2 C15 H23 N5 O13 P2 InChI=1S/C15H23N5O13P2/c1
    6-13-10-14(18-4-17-13)20(
    5-19-10)9-1-6(21)7(31-9)2
    -29-34(25,26)33-35(27,28)
    30-3-8-11(22)12(23)15(24)
    32-8/h4-9,11-12,15,21-24H
    ,1-3H2,(H,25,26)(H,27,28)
    (H2,16,17,18)/t6-,7+,8+,9
    +,11+,12+,15-/m0/s1;
    QUQXNEJSUIYECI-KYMUXCIQSA-N    		 Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](
    O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[
    CH]4O)O3; c1nc(c2c(n1)n(cn2)C3CC(C(O3)CO
    P(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)N;
    c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O
    3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H
    ]([C@H](O4)O)O)O)O)N; Nc1ncnc2n(cnc12)[C
    @H]3C[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(
    =O)OC[C@H]4O[C@H](O)[C@H](O)[C@@H]4O)O3    		 2'-deoxyadenosine 5'-diphosphoribose;
    [[(2~{R},3~{S},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate;
    [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5S)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate;
    2'-deoxy-ADPR
    31053 OHS
    ZINC000038377623    		 0 C5 H7 N O6 S InChI=1S/C5H7NO6S/c6-2(4(
    8)9)1-3(7)12-13-5(10)11/h
    2H,1,6H2,(H,8,9)(H,10,11)
    /t2-/m1/s1;
    XLRNXEYAFDOPMG-UWTATZPHSA-N    		 C(C(C(=O)O)N)C(=O)OSC(=O)O; O=C(O)SOC(=O
    )CC(N)C(=O)O; C([C@H](C(=O)O)N)C(=O)OSC(
    =O)O; N[C@H](CC(=O)OSC(O)=O)C(O)=O; N[CH
    ](CC(=O)OSC(O)=O)C(O)=O    		 O-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINE
    31054 OHT
    CHEMBL489
    DB04468
    ZINC000000902197    		 40 C26 H29 N O2 InChI=1S/C26H29NO2/c1-4-2
    5(20-8-6-5-7-9-20)26(21-1
    0-14-23(28)15-11-21)22-12
    -16-24(17-13-22)29-19-18-
    27(2)3/h5-17,28H,4,18-19H
    2,1-3H3/b26-25-;
    TXUZVZSFRXZGTL-QPLCGJKRSA-N    		 CC\C(c1ccccc1)=C(/c2ccc(O)cc2)c3ccc(OCCN
    (C)C)cc3; CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O
    CCN(C)C)c3ccccc3; CC/C(=C(\c1ccc(cc1)O)/
    c2ccc(cc2)OCCN(C)C)/c3ccccc3; O(c1ccc(cc
    1)/C(c2ccc(O)cc2)=C(\c3ccccc3)CC)CCN(C)C
    ; CCC(c1ccccc1)=C(c2ccc(O)cc2)c3ccc(OCCN
    (C)C)cc3    		 4-HYDROXYTAMOXIFEN
    31055 OHU
    ZINC000013514788    		 0 C9 H13 N2 O9 P InChI=1S/C9H13N2O9P/c12-4
    -1-7(20-6(4)3-19-21(16,17
    )18)11-2-5(13)8(14)10-9(1
    1)15/h2,4,6-7,12-13H,1,3H
    2,(H,10,14,15)(H2,16,17,1
    8)/t4-,6+,7+/m0/s1;
    ZQYXKIGZDRIQRE-UBKIQSJTSA-N    		 O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C
    =C(O)C(=O)NC2=O; C1C(C(OC1N2C=C(C(=O)NC2
    =O)O)COP(=O)(O)O)O; C1[C@@H]([C@H](O[C@H
    ]1N2C=C(C(=O)NC2=O)O)COP(=O)(O)O)O; O=P(
    O)(O)OCC2OC(N1C(=O)NC(=O)C(O)=C1)CC2O; O
    [CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(O)C
    (=O)NC2=O    		 2'-deoxy-5-hydroxyuridine 5'-(dihydrogen phosphate)
    31056 OHV 1 C16 H21 N3 O3 InChI=1S/C16H21N3O3/c20-1
    1-14-10-18-15(19-14)8-4-5
    -9-17-16(21)22-12-13-6-2-
    1-3-7-13/h1-3,6-7,10,20H,
    4-5,8-9,11-12H2,(H,17,21)
    (H,18,19);
    NIZFBMMWDHTIBI-UHFFFAOYSA-N    		 C(CCCc1ncc(CO)n1)NC(=O)OCc2ccccc2; OCc1[
    nH]c(CCCCNC(=O)OCc2ccccc2)nc1; c1ccc(cc1
    )COC(=O)NCCCCc2[nH]c(cn2)CO    		 benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
    31057 OHW 1 C23 H32 F3 N3 O2 InChI=1S/C23H32F3N3O2/c1-
    2-5-19-18-8-7-17(31-23(24
    ,25)26)16-20(18)27-22(19)
    21-6-3-4-9-29(21)11-10-28
    -12-14-30-15-13-28/h7-8,1
    6,21,27H,2-6,9-15H2,1H3/t
    21-/m1/s1;
    UNPIVXUWRQMOQC-OAQYLSRUSA-N    		 CCCc1c2ccc(cc2[nH]c1[C@H]3CCCCN3CCN4CCOC
    C4)OC(F)(F)F; CCCc1c2ccc(cc2[nH]c1C3CCCC
    N3CCN4CCOCC4)OC(F)(F)F; CCCc1c([nH]c2cc(
    OC(F)(F)F)ccc12)[CH]3CCCCN3CCN4CCOCC4; C
    CCc1c([nH]c2cc(OC(F)(F)F)ccc12)[C@H]3CCC
    CN3CCN4CCOCC4    		 4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine;
    CAD204520
    31058 OHX 1457 H12 N6 Os InChI=1S/6H2N.Os/h6*1H2;/
    q6*-1;+6;
    OWCQTVJQFLTQTE-UHFFFAOYSA-N    		 N[Os](N)(N)(N)(N)N osmium (III) hexammine;
    osmium(6+) hexaazanide
    31059 OHY 2 C30 H30 Cl F N4 O3 InChI=1S/C30H30ClFN4O3/c1
    -4-27(38)34-12-14-35(15-1
    3-34)29-21-16-22(31)20(28
    -23(32)9-7-11-26(28)37)17
    -25(21)36(30(39)33-29)24-
    10-6-5-8-19(24)18(2)3/h5-
    11,16-18,37H,4,12-15H2,1-
    3H3;
    OCTKIXILUUVPLP-UHFFFAOYSA-N    		 CCC(=O)N1CCN(CC1)C2=NC(=O)N(c3ccccc3C(C)
    C)c4cc(c(Cl)cc24)c5c(O)cccc5F; CCC(=O)N1
    CCN(CC1)C2=NC(=O)N(c3c2cc(c(c3)c4c(cccc4
    F)O)Cl)c5ccccc5C(C)C; CC(C)c1c(cccc1)N3c
    2cc(c(cc2C(=NC3=O)N4CCN(CC4)C(CC)=O)Cl)c
    5c(F)cccc5O    		 6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one
    31060 OHZ 2 C16 H14 Cl F3 N2 O3 InChI=1S/C16H14ClF3N2O3/c
    17-11-7-12(9-13(8-11)25-1
    6(18,19)20)21-15(24)22-14
    -4-2-1-3-10(14)5-6-23/h1-
    4,7-9,23H,5-6H2,(H2,21,22
    ,24);
    MFPOPEHXGDSREH-UHFFFAOYSA-N    		 OCCc1ccccc1NC(=O)Nc2cc(Cl)cc(OC(F)(F)F)c
    2; c1ccc(c(c1)CCO)NC(=O)Nc2cc(cc(c2)Cl)O
    C(F)(F)F    		 1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea;
    1-[3-chloranyl-5-(trifluoromethyloxy)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea
    31061 OI1 4 C32 H35 N3 O5 InChI=1S/C32H35N3O5/c1-2-
    5-27(30(38)33-17-16-21-8-
    12-25(36)13-9-21)35-29(18
    -22-10-14-26(37)15-11-22)
    31(39)34-20-24-7-4-3-6-23
    (24)19-28(34)32(35)40/h3-
    4,6-15,27-29H,2,5,16-20H2
    ,1H3,(H3,33,36,37,38)/t27
    -,28-,29-/m0/s1;
    GSRXSLSGKZHATI-AWCRTANDSA-N    		 CCC[C@@H](C(=O)NCCc1ccc(O)cc1)[N+]2=C([O
    -])[C@@H]3Cc4ccccc4CN3C(=O)[C@@H]2Cc5ccc
    (O)cc5; CCC[C@@H](C(=O)NCCc1ccc(cc1)O)[N
    +]2=C([C@@H]3Cc4ccccc4CN3C(=O)[C@@H]2Cc5
    ccc(cc5)O)[O-]; CCC[CH](C(=O)NCCc1ccc(O)
    cc1)[N+]2=C([O-])[CH]3Cc4ccccc4CN3C(=O)[
    CH]2Cc5ccc(O)cc5; CCCC(C(=O)NCCc1ccc(cc1
    )O)[N+]2=C(C3Cc4ccccc4CN3C(=O)C2Cc5ccc(c
    c5)O)[O-]; O=C(NCCc1ccc(O)cc1)C([N+]2=C(
    [O-])C5N(C(=O)C2Cc3ccc(O)cc3)Cc4c(cccc4)
    C5)CCC    		 3-(4-HYDROXYBENZYL)-2-[1-({[2-(4-HYDROXYPHENYL)ETHYL]AMINO}CARBONYL)BUTYL]-4-OXO-3,6,11,11A-TETRAHYDRO-4H-PYRAZINO[1,2-B]ISOQUINOLIN-2-IUM-1-OLATE
    31062 OI2 1 C25 H38 O2 InChI=1S/C25H38O2/c1-7-21
    (6)23-13-9-12-22(24(23)15
    -14-18(2)3)16-19(4)10-8-1
    1-20(5)17-25(26)27/h8,10-
    11,16-18,21H,7,9,12-15H2,
    1-6H3,(H,26,27)/b11-8+,19
    -10-,20-17+,22-16+/t21-/m
    0/s1;
    USDOYFQDHIMGBQ-CKASWENUSA-N    		 CCC(C)C=1CCC\C(=C/C(/C)=C\C=C\C(\C)=C\C(
    =O)O)C=1CCC(C)C; CC[C@H](C)C1=C(/C(=C/C(
    =C\C=C\C(=C\C(=O)O)\C)/C)/CCC1)CCC(C)C;
    CC[C@H](C)C1=C(CCC(C)C)C(/CCC1)=C/C(C)=C
    \C=C\C(C)=C\C(O)=O; CC[CH](C)C1=C(CCC(C)
    C)C(CCC1)=CC(C)=CC=CC(C)=CC(O)=O; CCC(C)
    C1=C(C(=CC(=CC=CC(=CC(=O)O)C)C)CCC1)CCC(
    C)C    		 (2E,4E,6Z,8E)-8-{3-[(2S)-butan-2-yl]-2-(3-methylbutyl)cyclohex-2-en-1-ylidene}-3,7-dimethylocta-2,4,6-trienoic acid
    31063 OI3 2 C15 H22 F N5 O13 P2 InChI=1S/C15H22FN5O13P2/c
    16-7-9(22)5(32-14(7)21-4-
    20-8-12(17)18-3-19-13(8)2
    1)1-30-35(26,27)34-36(28,
    29)31-2-6-10(23)11(24)15(
    25)33-6/h3-7,9-11,14-15,2
    2-25H,1-2H2,(H,26,27)(H,2
    8,29)(H2,17,18,19)/t5-,6-
    ,7-,9-,10-,11-,14-,15-/m1
    /s1;
    DGMUNKKEZYJBEL-IUNVFAKASA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]
    ([C@H]([C@@H](O4)O)O)O)O)F)N; Nc1ncnc2n(
    cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)
    OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]
    3F; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)
    (O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)F)N; Nc
    1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)
    O[P](O)(=O)OC[C@H]4O[C@@H](O)[C@H](O)[C@
    @H]4O)[C@@H](O)[C@H]3F    		 2'-deoxyadenosine 5'-fluoro-diphosphoribose;
    [[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate;
    [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate;
    2'-deoxy-2'-fluoro-ADPR
    31064 OI4 3 C16 H15 Cl N2 O2 InChI=1S/C16H15ClN2O2/c1-
    10-4-6-18-9-14(10)19-16(2
    0)12-5-7-21-15-3-2-11(17)
    8-13(12)15/h2-4,6,8-9,12H
    ,5,7H2,1H3,(H,19,20)/t12-
    /m1/s1;
    KJMNRTLNVIILOB-GFCCVEGCSA-N    		 Cc1ccncc1NC(=O)[C@@H]2CCOc3c2cc(cc3)Cl;
    Cc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21; Cc1cc
    ncc1NC(=O)C2CCOc3c2cc(cc3)Cl; Cc1ccncc1N
    C(=O)[CH]2CCOc3ccc(Cl)cc23; Cc1ccncc1NC(
    =O)[C@@H]2CCOc3ccc(Cl)cc23    		 (4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    31065 OI5
    CHEMBL5200645    		 1 C24 H36 O2 InChI=1S/C24H36O2/c1-6-9-
    21-12-8-13-22(23(21)15-14
    -18(2)3)16-19(4)10-7-11-2
    0(5)17-24(25)26/h7,10-11,
    16-18H,6,8-9,12-15H2,1-5H
    3,(H,25,26)/b11-7+,19-10-
    ,20-17+,22-16+;
    AFPIKPIXJYHWHZ-JALBNXGMSA-N    		 CCCC1=C(C(=CC(=CC=CC(=CC(=O)O)C)C)CCC1)C
    CC(C)C; CCCC1=C(CCC(C)C)/C(CCC1)=C/C(C)=
    C\C=C\C(C)=C\C(O)=O; CCCC=1CCC\C(=C/C(/C
    )=C\C=C\C(\C)=C\C(=O)O)C=1CCC(C)C; CCCC1
    =C(/C(=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)/CCC
    1)CCC(C)C; CCCC1=C(CCC(C)C)C(CCC1)=CC(C)
    =CC=CC(C)=CC(O)=O    		 (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-propylcyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid
    31066 OI6 2 C15 H22 Br N5 O14 P2 InChI=1S/C15H22BrN5O14P2/
    c16-15-20-6-11(17)18-3-19
    -12(6)21(15)13-9(24)7(22)
    4(33-13)1-31-36(27,28)35-
    37(29,30)32-2-5-8(23)10(2
    5)14(26)34-5/h3-5,7-10,13
    -14,22-26H,1-2H2,(H,27,28
    )(H,29,30)(H2,17,18,19)/t
    4-,5-,7-,8-,9-,10-,13-,14
    -/m1/s1;
    DPZGAPGUTMHLAW-AIKIOGRUSA-N    		 Nc1ncnc2n([CH]3O[CH](CO[P](O)(=O)O[P](O)
    (=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)
    [CH]3O)c(Br)nc12; c1nc(c2c(n1)n(c(n2)Br)
    C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(
    O4)O)O)O)O)O)N; c1nc(c2c(n1)n(c(n2)Br)[C
    @H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(
    =O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O
    )O)O)O)N; Nc1ncnc2n([C@@H]3O[C@H](CO[P](
    O)(=O)O[P](O)(=O)OC[C@H]4O[C@@H](O)[C@H]
    (O)[C@@H]4O)[C@@H](O)[C@H]3O)c(Br)nc12    		 8-bromoadenosine 5'-diphosphoribose;
    [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate;
    [[(2R,3S,4R,5R)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate;
    8Br-ADPR
    31067 OI7
    ZINC000058632765    		 4 C7 H16 O13 P2 InChI=1S/C7H16O13P2/c8-3(
    1-18-21(12,13)14)5-4(9)6(
    10)7(11,20-5)2-19-22(15,1
    6)17/h3-6,8-11H,1-2H2,(H2
    ,12,13,14)(H2,15,16,17)/t
    3-,4-,5-,6+,7-/m1/s1;
    YCQNLCZEHKXXNQ-BNWJMWRWSA-N    		 C(C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)O)OP(=
    O)(O)O; C([C@H]([C@@H]1[C@H]([C@@H]([C@]
    (O1)(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O; O[C
    @H](CO[P](O)(O)=O)[C@H]1O[C@](O)(CO[P](O
    )(O)=O)[C@@H](O)[C@@H]1O; O[CH](CO[P](O)
    (O)=O)[CH]1O[C](O)(CO[P](O)(O)=O)[CH](O)
    [CH]1O; O=P(O)(O)OCC(O)C1OC(O)(COP(=O)(O
    )O)C(O)C1O    		 1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose;
    1,7-di-O-phosphono-beta-D-altro-hept-2-ulose;
    1,7-di-O-phosphono-D-altro-hept-2-ulose;
    1,7-di-O-phosphono-altro-hept-2-ulose
    31068 OI9
    CHEMBL4448608
    ZINC000060183503    		 17 C19 H34 N8 O8 InChI=1S/C19H34N8O8/c20-3
    -1-2-7(21)4-10(30)24-13-1
    4(31)15(35-18(22)33)9(6-2
    8)34-17(13)27-19-25-11-8(
    29)5-23-16(32)12(11)26-19
    /h7-9,11-15,17,28-29,31H,
    1-6,20-21H2,(H2,22,33)(H,
    23,32)(H,24,30)(H2,25,26,
    27)/t7-,8+,9+,11+,12-,13+
    ,14-,15-,17+/m0/s1;
    NRAUADCLPJTGSF-VLSXYIQESA-N    		 NCCC[CH](N)CC(=O)N[CH]1[CH](O)[CH](OC(N)
    =O)[CH](CO)O[CH]1NC2=N[CH]3[CH](N2)[CH](
    O)CNC3=O; C1[C@H]([C@@H]2[C@@H](C(=O)N1)
    N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](
    O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCN)N)O; C
    1C(C2C(C(=O)N1)N=C(N2)NC3C(C(C(C(O3)CO)O
    C(=O)N)O)NC(=O)CC(CCCN)N)O; NCCCC(N)CC(=
    O)NC1C(O)C(OC(N)=O)C(CO)OC1NC=1NC2C(N=1)
    C(=O)NCC2O; NCCC[C@H](N)CC(=O)N[C@@H]1[C
    @H](O)[C@@H](OC(N)=O)[C@@H](CO)O[C@H]1NC
    2=N[C@H]3[C@H](N2)[C@H](O)CNC3=O    		 Streptothricin F
    31069 OIA
    ZINC000090225589    		 6 C10 H9 N O3 InChI=1S/C10H9NO3/c12-9(1
    3)5-7-6-3-1-2-4-8(6)11-10
    (7)14/h1-4,7H,5H2,(H,11,1
    4)(H,12,13)/t7-/m0/s1;
    ILGMGHZPXRDCCS-ZETCQYMHSA-N    		 c1ccc2c(c1)[C@@H](C(=O)N2)CC(=O)O; c1ccc
    2c(c1)C(C(=O)N2)CC(=O)O; OC(=O)C[C@@H]1C
    (=O)Nc2ccccc12; OC(=O)CC2c1ccccc1NC2=O;
    OC(=O)C[CH]1C(=O)Nc2ccccc12    		 [(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]acetic acid
    31070 OIB 0 C6 H13 N O5 InChI=1S/C6H13NO5/c1-12-3
    (2-7)4(8)5(9)6(10)11/h3-5
    ,8-9H,2,7H2,1H3,(H,10,11)
    /t3-,4-,5-/m0/s1;
    AZZQNKGHODDJIM-YUPRTTJUSA-N    		 CO[CH](CN)[CH](O)[CH](O)C(O)=O; COC(CN)C
    (C(C(=O)O)O)O; CO[C@@H](CN)[C@@H]([C@@H]
    (C(=O)O)O)O; CO[C@@H](CN)[C@H](O)[C@H](O
    )C(O)=O    		 hydroxylated gamma-amino valeroyl moiety;
    (2~{S},3~{R},4~{S})-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid;
    (2S,3R,4S)-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid
    31071 OIC
    DB03409
    ZINC000004899687    		 0 C9 H15 N O2 InChI=1S/C9H15NO2/c11-9(1
    2)8-5-6-3-1-2-4-7(6)10-8/
    h6-8,10H,1-5H2,(H,11,12)/
    t6-,7-,8-/m0/s1;
    CQYBNXGHMBNGCG-FXQIFTODSA-N    		 C1CC[C@H]2[C@@H](C1)C[C@H](N2)C(=O)O; OC
    (=O)[CH]1C[CH]2CCCC[CH]2N1; OC(=O)[C@@H]
    1C[C@@H]2CCCC[C@@H]2N1; C1CCC2C(C1)CC(N2
    )C(=O)O; O=C(O)C1NC2CCCCC2C1    		 OCTAHYDROINDOLE-2-CARBOXYLIC ACID
    31072 OID
    ZINC000039296093    		 2 C13 H22 N2 O2 InChI=1S/C13H22N2O2/c16-1
    3(17)8-6-4-2-1-3-5-7-10-1
    5-11-9-14-12-15/h9,11-12H
    ,1-8,10H2,(H,16,17);
    DOJPUPKORVKCJK-UHFFFAOYSA-N    		 c1cn(cn1)CCCCCCCCCC(=O)O; OC(=O)CCCCCCCC
    Cn1ccnc1; O=C(O)CCCCCCCCCn1ccnc1    		 10-(1H-imidazol-1-yl)decanoic acid;
    10-imidazolyl-decanoic acid
    31073 OIE 1 C16 H12 Cl N3 O InChI=1S/C16H12ClN3O/c17-
    12-5-6-19-13(7-12)8-16(21
    )20-15-10-18-9-11-3-1-2-4
    -14(11)15/h1-7,9-10H,8H2,
    (H,20,21);
    WBAYRCXMIZFJCT-UHFFFAOYSA-N    		 Clc1ccnc(CC(=O)Nc2cncc3ccccc23)c1; O=C(C
    c1cc(Cl)ccn1)Nc1cncc2ccccc21; c1ccc2c(c1
    )cncc2NC(=O)Cc3cc(ccn3)Cl    		 2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
    31074 OIF
    CHEMBL5219807    		 1 C9 H8 N2 O4 S2 InChI=1S/C9H8N2O4S2/c12-8
    (5-17(13,14)15)11-9-10-6-
    3-1-2-4-7(6)16-9/h1-4H,5H
    2,(H,10,11,12)(H,13,14,15
    );
    SYEABNIGTPGICH-UHFFFAOYSA-N    		 O=S(=O)(O)CC(=O)Nc1nc2ccccc2s1; O[S](=O)
    (=O)CC(=O)Nc1sc2ccccc2n1; c1ccc2c(c1)nc(
    s2)NC(=O)CS(=O)(=O)O    		 2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethane-1-sulfonic acid
    31075 OIG 2 C12 H19 N5 O10 P2 InChI=1S/C12H19N5O10P2/c1
    -2-24-28(20,21)27-29(22,2
    3)25-3-6-8(18)9(19)12(26-
    6)17-5-16-7-10(13)14-4-15
    -11(7)17/h4-6,8-9,12,18-1
    9H,2-3H2,1H3,(H,20,21)(H,
    22,23)(H2,13,14,15)/t6-,8
    -,9-,12-/m1/s1;
    OBBAXRNSCNGYQO-WOUKDFQISA-N    		 CCOP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c
    2ncnc3N)O)O; CCO[P](O)(=O)O[P](O)(=O)OC[
    C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)n
    cnc23; CCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H
    ]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O; CC
    O[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](
    O)[CH]1O)n2cnc3c(N)ncnc23    		 beta-ethyl-adenosine diphosphate;
    [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethyl hydrogen phosphate;
    [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] ethyl hydrogen phosphate;
    beta-ethyl-ADP
    31076 OIH 2 C28 H32 Cl F N4 O3 InChI=1S/C28H32ClFN4O3/c1
    -18(2)17-34(20-7-4-3-5-8-
    20)25-13-11-21(33-14-6-9-
    26(33)27(35)36)16-24(25)3
    2-28(37)31-23-12-10-19(29
    )15-22(23)30/h6,9-16,18,2
    0H,3-5,7-8,17H2,1-2H3,(H,
    35,36)(H2,31,32,37);
    JYDXSLBOQXZAKM-UHFFFAOYSA-N    		 CC(C)CN(c1ccc(cc1NC(=O)Nc2ccc(cc2F)Cl)n3
    cccc3C(=O)O)C4CCCCC4; CC(C)CN(C1CCCCC1)c
    2ccc(cc2NC(=O)Nc3ccc(Cl)cc3F)n4cccc4C(O)
    =O    		 1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid
    31077 OIJ
    CHEMBL4436028    		 8 C25 H22 F N5 O2 InChI=1S/C25H22FN5O2/c26-
    18-4-1-15(2-5-18)24-23(16
    -3-6-20-17(13-16)14-22(33
    )28-20)21-7-10-27-25(31(2
    1)29-24)30-11-8-19(32)9-1
    2-30/h1-7,10,13,19,32H,8-
    9,11-12,14H2,(H,28,33);
    UWIJVELUZWBFEU-UHFFFAOYSA-N    		 c1cc(ccc1c2c(c3ccnc(n3n2)N4CCC(CC4)O)c5c
    cc6c(c5)CC(=O)N6)F; OC1CCN(CC1)c2nccc3n2
    nc(c4ccc(F)cc4)c3c5ccc6NC(=O)Cc6c5    		 5-[2-(4-fluorophenyl)-7-(4-oxidanylpiperidin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one
    31078 OIK 1 C20 H19 N3 O InChI=1S/C20H19N3O/c24-20
    (19-15-21-14-16-6-4-5-9-1
    8(16)19)23-12-10-22(11-13
    -23)17-7-2-1-3-8-17/h1-9,
    14-15H,10-13H2;
    UIQBSVLMOPGDAQ-UHFFFAOYSA-N    		 O=C(c1cncc2ccccc21)N1CCN(CC1)c1ccccc1; O
    =C(N1CCN(CC1)c2ccccc2)c3cncc4ccccc34; c1
    ccc(cc1)N2CCN(CC2)C(=O)c3cncc4c3cccc4    		 (isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone
    31079 OIL
    ZINC000000402951    		 0 C6 H12 O3 InChI=1S/C6H12O3/c1-3-4(2
    )5(7)6(8)9/h4-5,7H,3H2,1-
    2H3,(H,8,9)/t4-,5-/m0/s1;
    RILPIWOPNGRASR-WHFBIAKZSA-N    		 O=C(O)C(O)C(C)CC; CC[C@H](C)[C@@H](C(=O)
    O)O; CC[CH](C)[CH](O)C(O)=O; CC[C@H](C)[
    C@H](O)C(O)=O; CCC(C)C(C(=O)O)O    		 (2S,3S)-2-hydroxy-3-methylpentanoic acid
    31080 OIM
    ZINC000098209263    		 0 C21 H26 N4 O6 InChI=1S/C21H26N4O6/c1-4-
    11(2)18(22)21(30)24-17(12
    (3)31-21)19-23-15(20(29)2
    5(19)10-16(27)28)9-13-5-7
    -14(26)8-6-13/h5-9,11-12,
    18,26,30H,4,10,22H2,1-3H3
    ,(H,27,28)/b15-9-/t11-,12
    +,18-,21+/m0/s1;
    LIQZHRFTMFYAKC-MMOVILGGSA-N    		 CC[C@H](C)[C@@H]([C@@]1(N=C([C@H](O1)C)C
    2=N/C(=C\c3ccc(cc3)O)/C(=O)N2CC(=O)O)O)N
    ; CC[CH](C)[CH](N)[C]1(O)O[CH](C)C(=N1)C
    2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O; CC[C@
    H](C)[C@H](N)[C@@]1(O)O[C@H](C)C(=N1)C2=
    N\C(=C/c3ccc(O)cc3)C(=O)N2CC(O)=O; O=C(O
    )CN2C(=N/C(=C\c1ccc(O)cc1)C2=O)C3=NC(O)(
    OC3C)C(N)C(C)CC; CCC(C)C(C1(N=C(C(O1)C)C
    2=NC(=Cc3ccc(cc3)O)C(=O)N2CC(=O)O)O)N    		 [(4Z)-2-{(2R,5R)-2-[(1S,2S)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid;
    PEPTIDE DERIVED CHROMOPHORE
    31081 OIN
    CHEMBL1234973
    ZINC000100068360    		 8 C17 H23 N O3 InChI=1S/C17H23NO3/c1-18-
    13-7-8-14(18)10-15(9-13)2
    1-17(20)16(11-19)12-5-3-2
    -4-6-12/h2-6,13-16,19H,7-
    11H2,1H3/t13-,14+,15-,16-
    /m1/s1;
    RKUNBYITZUJHSG-QKPAOTATSA-N    		 O=C(OC2CC1N(C)C(CC1)C2)C(c3ccccc3)CO; CN
    1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3; CN1[C@
    H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc
    3; CN1[CH]2CC[CH]1CC(C2)OC(=O)[CH](CO)c3
    ccccc3    		 (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE;
    ATROPINE
    31082 OIO
    CHEMBL1191015
    ZINC000038337192    		 2 C11 H18 N2 O2 InChI=1S/C11H18N2O2/c14-1
    1(15)6-4-2-1-3-5-8-13-9-7
    -12-10-13/h7,9-10H,1-6,8H
    2,(H,14,15);
    OUQGDTNNZRAKIB-UHFFFAOYSA-N    		 OC(=O)CCCCCCCn1ccnc1; c1cn(cn1)CCCCCCCC(
    =O)O    		 8-(1H-imidazol-1-yl)octanoic acid
    31083 OIP 0 C10 H13 N4 O7 P InChI=1/C10H13N4O7P/c15-5
    -1-7(21-6(5)2-20-22(17,18
    )19)14-4-13-8-9(14)11-3-1
    2-10(8)16/h3-7,15H,1-2H2,
    (H,11,12,16)(H2,17,18,19)
    /t5-,6+,7+/m0/s1/f/h12,17
    -18H;
    PHNGFPPXDJJADG-HZZUNUDTDZ    		 O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(
    =O)NC=Nc23; c1nc2c(n1C3CC(C(O3)COP(=O)(O
    )O)O)N=CNC2=O; O[C@H]1C[C@@H](O[C@@H]1CO
    [P](O)(O)=O)n2cnc3C(=O)NC=Nc23; O=C1c2nc
    n(c2N=CN1)C3OC(C(O)C3)COP(=O)(O)O; c1nc2
    c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O
    )N=CNC2=O    		 2'-DEOXY-INOSINIC ACID
    31084 OIQ 0 C14 H22 N5 O8 P InChI=1S/C14H22N5O8P/c1-7
    -4-18(13(22)17-10(7)21)11
    -8-9(20)14(27-11,6-26-28(
    23,24)25)5-19(8)12(15-2)1
    6-3/h4,8-9,11,20H,5-6H2,1
    -3H3,(H,15,16)(H,17,21,22
    )(H2,23,24,25)/t8-,9+,11-
    ,14-/m1/s1;
    UBEWFRLVLLXNDH-SZRLZVLASA-N    		 CNC(=NC)N1C[C]2(CO[P](O)(O)=O)O[CH]([CH]
    1[CH]2O)N3C=C(C)C(=O)NC3=O; CNC(=NC)N1C[
    C@]2(CO[P](O)(O)=O)O[C@H]([C@H]1[C@@H]2O
    )N3C=C(C)C(=O)NC3=O; CC1=CN(C(=O)NC1=O)C
    2C3C(C(O2)(CN3C(=NC)NC)COP(=O)(O)O)O; CC
    1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@]
    (O2)(CN3/C(=N/C)/NC)COP(=O)(O)O)O    		 [(1R,3R,4R,7S)-5-[(E)-N,N'-dimethylcarbamimidoyl]-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-oxidanyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate
    31085 OIR
    DB02558
    ZINC000015894751    		 1 C21 H24 N2 O4 S InChI=1S/C21H24N2O4S/c1-1
    4(21(26)27)22-19(24)17(12
    -15-8-4-2-5-9-15)23-20(25
    )18(28)13-16-10-6-3-7-11-
    16/h2-11,14,17-18,28H,12-
    13H2,1H3,(H,22,24)(H,23,2
    5)(H,26,27)/t14-,17-,18+/
    m0/s1;
    CNILVMARPONFBX-JCGIZDLHSA-N    		 C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]
    (S)Cc2ccccc2)C(O)=O; C[C@@H](C(=O)O)NC(=
    O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2
    )S; CC(C(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(
    Cc2ccccc2)S; C[CH](NC(=O)[CH](Cc1ccccc1)
    NC(=O)[CH](S)Cc2ccccc2)C(O)=O; O=C(O)C(N
    C(=O)C(NC(=O)C(S)Cc1ccccc1)Cc2ccccc2)C    		 N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE
    31086 OIS
    DB04748
    ZINC000150339775    		 2 C34 H46 N6 O6 S2 InChI=1S/C34H46N6O6S2/c1-
    23(2)19-39(48(45,46)29-13
    -11-27(12-14-29)18-35-44)
    21-31(41)30(17-26-9-7-6-8
    -10-26)37-33(42)32(24(3)4
    )40-16-15-38(34(40)43)20-
    28-22-47-25(5)36-28/h6-14
    ,18,22-24,30-32,41,44H,15
    -17,19-21H2,1-5H3,(H,37,4
    2)/b35-18+/t30-,31+,32-/m
    0/s1;
    PJLSJXTZOMOVBI-KKWNBLJUSA-N    		 Cc1nc(cs1)CN2CCN(C2=O)[C@@H](C(C)C)C(=O)
    N[C@@H](Cc3ccccc3)[C@@H](C[N@](CC(C)C)S(
    =O)(=O)c4ccc(cc4)\C=N\O)O; CC(C)CN(C[C@@
    H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N
    2CCN(Cc3csc(C)n3)C2=O)[S](=O)(=O)c4ccc(c
    c4)/C=N/O; O=S(=O)(c1ccc(\C=N\O)cc1)N(CC
    (C)C)CC(O)C(NC(=O)C(N2C(=O)N(CC2)Cc3nc(s
    c3)C)C(C)C)Cc4ccccc4; Cc1nc(cs1)CN2CCN(C
    2=O)C(C(C)C)C(=O)NC(Cc3ccccc3)C(CN(CC(C)
    C)S(=O)(=O)c4ccc(cc4)C=NO)O; CC(C)CN(C[C
    H](O)[CH](Cc1ccccc1)NC(=O)[CH](C(C)C)N2C
    CN(Cc3csc(C)n3)C2=O)[S](=O)(=O)c4ccc(cc4
    )C=NO    		 (S)-N-((2S,3R)-3-HYDROXY-4-(4-((E)-(HYDROXYIMINO)METHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YL)-3-METHYL-2-(3 -((2-METHYLTHIAZOL-4-YL)METHYL)-2-OXOIMIDAZOLIDIN-1-YL)BUTANAMIDE;
    OXIMINOARYLSULFONAMIDE
    31087 OIT 2 C20 H21 Cl2 N3 O2 InChI=1S/C20H21Cl2N3O2/c2
    1-15-9-14(10-16(22)12-15)
    20-25-17-6-5-13(11-18(17)
    27-20)19(26)24-8-4-2-1-3-
    7-23/h5-6,9-12H,1-4,7-8,2
    3H2,(H,24,26);
    VYSGGLIOFYGQHG-UHFFFAOYSA-N    		 c1cc2c(cc1C(=O)NCCCCCCN)oc(n2)c3cc(cc(c3
    )Cl)Cl; NCCCCCCNC(=O)c1ccc2nc(oc2c1)c3cc
    (Cl)cc(Cl)c3    		 ~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide;
    Tafamidis derivative
    31088 OIW 1 C6 H10 O4 InChI=1S/C6H10O4/c7-3-1-2
    -4(8)6(10)5(3)9/h1-10H/t3
    -,4+,5-,6-/m0/s1;
    LRUBQXAKGXQBHA-FSIIMWSLSA-N    		 C1=CC(C(C(C1O)O)O)O; C1=C[C@@H]([C@@H]([
    C@H]([C@@H]1O)O)O)O; O[C@@H]1C=C[C@H](O)
    [C@H](O)[C@H]1O; O[CH]1C=C[CH](O)[CH](O)
    [CH]1O    		 (2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol;
    D-carbaxylosyl chloride
    31089 OIX 1 C19 H18 N2 O3 InChI=1S/C19H18N2O3/c1-23
    -17-8-4-5-9-18(17)24-11-1
    0-21-19(22)16-13-20-12-14
    -6-2-3-7-15(14)16/h2-9,12
    -13H,10-11H2,1H3,(H,21,22
    );
    SWRAJWUUCVFLBR-UHFFFAOYSA-N    		 COc1ccccc1OCCNC(=O)c1cncc2ccccc21; COc1c
    cccc1OCCNC(=O)c2cncc3c2cccc3; COc1ccccc1
    OCCNC(=O)c2cncc3ccccc23    		 N-[2-(2-methoxyphenoxy)ethyl]isoquinoline-4-carboxamide
    31090 OIY
    CHEMBL4535777
    ZINC000087520323    		 12 C31 H58 N12 O10 InChI=1S/C31H58N12O10/c32
    -7-1-4-15(33)10-20(46)37-
    8-2-5-16(34)11-21(47)38-9
    -3-6-17(35)12-22(48)40-25
    -26(49)27(53-30(36)51)19(
    14-44)52-29(25)43-31-41-2
    3-18(45)13-39-28(50)24(23
    )42-31/h15-19,23-27,29,44
    -45,49H,1-14,32-35H2,(H2,
    36,51)(H,37,46)(H,38,47)(
    H,39,50)(H,40,48)(H2,41,4
    2,43)/t15-,16-,17-,18+,19
    +,23+,24-,25+,26-,27-,29+
    /m0/s1;
    WUJTXMVGXDQPNN-OTQKCRDJSA-N    		 NCCC[C@H](N)CC(=O)NCCC[C@H](N)CC(=O)NCCC
    [C@H](N)CC(=O)N[C@@H]1[C@H](O)[C@@H](OC(
    N)=O)[C@@H](CO)O[C@H]1NC2=N[C@H]3[C@H](N
    2)[C@H](O)CNC3=O; C1[C@H]([C@@H]2[C@@H](
    C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H
    ]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCC
    NC(=O)C[C@H](CCCNC(=O)C[C@H](CCCN)N)N)N)
    O; NCCC[CH](N)CC(=O)NCCC[CH](N)CC(=O)NCC
    C[CH](N)CC(=O)N[CH]1[CH](O)[CH](OC(N)=O)
    [CH](CO)O[CH]1NC2=N[CH]3[CH](N2)[CH](O)C
    NC3=O; C1C(C2C(C(=O)N1)N=C(N2)NC3C(C(C(C
    (O3)CO)OC(=O)N)O)NC(=O)CC(CCCNC(=O)CC(CC
    CNC(=O)CC(CCCN)N)N)N)O; NCCCC(N)CC(=O)NC
    CCC(N)CC(=O)NCCCC(N)CC(=O)NC1C(O)C(OC(N)
    =O)C(CO)OC1NC=1NC2C(N=1)C(=O)NCC2O    		 Streptothricin D
    31091 OIZ 1 C6 H9 Cl O3 InChI=1S/C6H9ClO3/c7-3-1-
    2-4(8)6(10)5(3)9/h1-6,8-1
    0H/t3-,4-,5+,6+/m0/s1;
    CGZQOMOYCGJBIC-UNTFVMJOSA-N    		 C1=CC(C(C(C1O)O)O)Cl; C1=C[C@@H]([C@H]([
    C@@H]([C@H]1O)O)O)Cl; O[CH]1C=C[CH](Cl)[
    CH](O)[CH]1O; O[C@H]1C=C[C@H](Cl)[C@@H](
    O)[C@@H]1O    		 (1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol;
    L-carbaxylosyl chloride
    31092 OJ0
    CHEMBL1201193
    DB01002
    ZINC000001530812    		 1 C18 H28 N2 O InChI=1S/C18H28N2O/c1-4-5
    -12-20-13-7-6-11-16(20)18
    (21)19-17-14(2)9-8-10-15(
    17)3/h8-10,16H,4-7,11-13H
    2,1-3H3,(H,19,21)/t16-/m0
    /s1;
    LEBVLXFERQHONN-INIZCTEOSA-N    		 CCCCN1CCCC[C@H]1C(=O)Nc2c(cccc2C)C; CCCC
    N1CCCC[CH]1C(=O)Nc2c(C)cccc2C; CCCCN1CCC
    C[C@H]1C(=O)Nc2c(C)cccc2C; CCCCN1CCCCC1C
    (=O)Nc2c(cccc2C)C    		 Levobupivacaine;
    (2~{S})-1-butyl-~{N}-(2,6-dimethylphenyl)piperidine-2-carboxamide
    31093 OJ1 1 C27 H24 Cl F N4 O2 InChI=1S/C27H24ClFN4O2/c1
    -2-24(35)32-11-13-33(14-1
    2-32)27-19-16-21(28)20(25
    -22(29)9-6-10-23(25)34)15
    -18(19)26(30-31-27)17-7-4
    -3-5-8-17/h3-10,15-16,34H
    ,2,11-14H2,1H3;
    FAGFXCBADWXKSH-UHFFFAOYSA-N    		 CCC(=O)N1CCN(CC1)c2c3cc(c(cc3c(nn2)c4ccc
    cc4)c5c(cccc5F)O)Cl; CCC(N1CCN(CC1)c2c5c
    (c(nn2)c3ccccc3)cc(c4c(cccc4F)O)c(Cl)c5)
    =O; CCC(=O)N1CCN(CC1)c2nnc(c3ccccc3)c4cc
    (c(Cl)cc24)c5c(O)cccc5F    		 1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one
    31094 OJ2 1 C16 H15 F3 N2 O3 InChI=1S/C16H15F3N2O3/c17
    -16(18,19)24-13-6-3-5-12(
    10-13)20-15(23)21-14-7-2-
    1-4-11(14)8-9-22/h1-7,10,
    22H,8-9H2,(H2,20,21,23);
    QYTRNJRTLNCHSJ-UHFFFAOYSA-N    		 OCCc1ccccc1NC(=O)Nc2cccc(OC(F)(F)F)c2; c
    1ccc(c(c1)CCO)NC(=O)Nc2cccc(c2)OC(F)(F)F    		 1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea;
    1-[2-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyloxy)phenyl]urea
    31095 OJ3 1 C26 H26 F N O3 InChI=1S/C26H26FNO3/c1-26
    (31,13-5-8-18-6-3-2-4-7-1
    8)23-15-19(10-12-24(23)29
    )25(30)28-16-20-9-11-22(2
    7)14-21(20)17-28/h2-4,6-7
    ,9-12,14-15,29,31H,5,8,13
    ,16-17H2,1H3/t26-/m0/s1;
    CRJBRLBNXARYEQ-SANMLTNESA-N    		 C[C@](CCCc1ccccc1)(c2cc(ccc2O)C(=O)N3Cc4
    ccc(cc4C3)F)O; C[C@](O)(CCCc1ccccc1)c2cc
    (ccc2O)C(=O)N3Cc4ccc(F)cc4C3; CC(O)(CCCc
    1ccccc1)c1cc(ccc1O)C(=O)N1Cc2ccc(F)cc2C1
    ; CC(CCCc1ccccc1)(c2cc(ccc2O)C(=O)N3Cc4c
    cc(cc4C3)F)O; C[C](O)(CCCc1ccccc1)c2cc(c
    cc2O)C(=O)N3Cc4ccc(F)cc4C3    		 (5-fluoro-1,3-dihydro-2H-isoindol-2-yl){4-hydroxy-3-[(2S)-2-hydroxy-5-phenylpentan-2-yl]phenyl}methanone
    31096 OJ4 3 C18 H24 N2 O8 S2 Te InChI=1S/C18H24N2O8S2Te/c
    19-29(23,24)17-5-1-15(2-6
    -17)27-9-13(21)11-31-12-1
    4(22)10-28-16-3-7-18(8-4-
    16)30(20,25)26/h1-8,13-14
    ,21-22H,9-12H2,(H2,19,23,
    24)(H2,20,25,26)/t13-,14+;
    JUPGTZUCOQORPY-OKILXGFUSA-N    		 N[S](=O)(=O)c1ccc(OC[CH](O)C[Te]C[CH](O)
    COc2ccc(cc2)[S](N)(=O)=O)cc1; c1cc(ccc1O
    CC(C[Te]CC(COc2ccc(cc2)S(N)(=O)=O)O)O)S(
    N)(=O)=O; c1cc(ccc1OC[C@H](C[Te]C[C@H](C
    Oc2ccc(cc2)S(=O)(=O)N)O)O)S(=O)(=O)N; N[
    S](=O)(=O)c1ccc(OC[C@H](O)C[Te]C[C@H](O)
    COc2ccc(cc2)[S](N)(=O)=O)cc1; c1cc(ccc1O
    CC(C[Te]CC(COc2ccc(cc2)S(=O)(=O)N)O)O)S(
    =O)(=O)N    		 4-[(2S)-2-hydroxy-3-{[(2R)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide
    31097 OJ5
    CHEMBL3393355
    ZINC000210733407    		 2 C16 H15 Cl N4 O InChI=1S/C16H15ClN4O/c17-
    12-3-1-2-11(8-12)13-9-18-
    15-14(13)16(20-10-19-15)2
    1-4-6-22-7-5-21/h1-3,8-10
    H,4-7H2,(H,18,19,20);
    ONFLVQULIQDDSN-UHFFFAOYSA-N    		 Clc1cccc(c1)c2c[nH]c3ncnc(N4CCOCC4)c23;
    c1cc(cc(c1)Cl)c2c[nH]c3c2c(ncn3)N4CCOCC4    		 4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
    31098 OJ6 1 C6 H12 O4 InChI=1S/C6H12O4/c7-3-1-2
    -4(8)6(10)5(3)9/h3-10H,1-
    2H2/t3-,4+,5-,6-/m0/s1;
    WESBWDZFWNIVRV-FSIIMWSLSA-N    		 O[C@@H]1CC[C@H](O)[C@H](O)[C@H]1O; C1C[C
    @@H]([C@@H]([C@H]([C@@H]1O)O)O)O; C1CC(C
    (C(C1O)O)O)O; O[CH]1CC[CH](O)[CH](O)[CH]
    1O; OC1CCC(O)C(O)C1O    		 (1~{S},2~{S},3~{S},4~{R})-cyclohexane-1,2,3,4-tetrol
    31099 OJ7
    ZINC000001397491    		 2 C15 H10 Cl F3 N2 InChI=1S/C15H10ClF3N2/c1-
    8-13(10-4-2-3-5-12(10)21-
    8)14-11(16)6-9(7-20-14)15
    (17,18)19/h2-7,21H,1H3;
    DFUZKSKLYCWMQD-UHFFFAOYSA-N    		 Cc1[nH]c2ccccc2c1c3ncc(cc3Cl)C(F)(F)F; C
    c1c(c2ccccc2[nH]1)c3c(cc(cn3)C(F)(F)F)Cl
    ; c31c(nc(c1c2c(Cl)cc(cn2)C(F)(F)F)C)ccc
    c3    		 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole
    31100 OJ8
    ZINC000066166398    		 2 C25 H22 N2 O3 InChI=1S/C25H22N2O3/c28-2
    4(25-27-16-23(30-25)22-8-
    4-5-13-26-22)19-10-9-18-1
    5-21(12-11-17(18)14-19)29
    -20-6-2-1-3-7-20/h1-8,11-
    13,15-16,19,24,28H,9-10,1
    4H2/t19-,24-/m0/s1;
    HNDDBEODXBNDLJ-CYFREDJKSA-N    		 c1ccc(cc1)Oc2ccc3c(c2)CCC(C3)C(c4ncc(o4)
    c5ccccn5)O; n5c(c1oc(nc1)C(O)C4Cc3ccc(Oc
    2ccccc2)cc3CC4)cccc5; O[C@@H]([C@H]1CCc2
    cc(Oc3ccccc3)ccc2C1)c4oc(cn4)c5ccccn5; c
    1ccc(cc1)Oc2ccc3c(c2)CC[C@@H](C3)[C@@H](
    c4ncc(o4)c5ccccn5)O; O[CH]([CH]1CCc2cc(O
    c3ccccc3)ccc2C1)c4oc(cn4)c5ccccn5    		 (S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl](5-pyridin-2-yl-1,3-oxazol-2-yl)methanol
    31101 OJ9 1 C19 H13 Cl N2 O2 InChI=1S/C19H13ClN2O2/c20
    -15-7-12-5-6-24-19(12)14(
    8-15)9-18(23)22-17-11-21-
    10-13-3-1-2-4-16(13)17/h1
    -8,10-11H,9H2,(H,22,23);
    BSHOYSAYHBYYEY-UHFFFAOYSA-N    		 c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc4c3occ4)Cl
    ; Clc1cc(CC(=O)Nc2cncc3ccccc23)c4occc4c1
    ; Clc1cc2ccoc2c(c1)CC(=O)Nc1cncc2ccccc21    		 2-(5-chloro-1-benzofuran-7-yl)-N-(isoquinolin-4-yl)acetamide
    31102 OJA
    CHEMBL4280125
    ZINC000263620729    		 6 C28 H38 F N5 InChI=1S/C28H38FN5/c1-21(
    2)33-16-14-32(15-17-33)13
    -10-30-25-8-11-34(12-9-25
    )26-5-3-4-22(19-26)28-20-
    23-18-24(29)6-7-27(23)31-
    28/h3-7,18-21,25,30-31H,8
    -17H2,1-2H3;
    LZHXZCVDLATFAR-UHFFFAOYSA-N    		 CC(C)N1CCN(CCNC2CCN(CC2)c3cccc(c3)c4[nH]
    c5ccc(F)cc5c4)CC1; CC(C)N1CCN(CC1)CCNC2C
    CN(CC2)c3cccc(c3)c4cc5cc(ccc5[nH]4)F    		 1-(3-(5-FLUORO-1H-INDOL-2-YL)PHENYL)PIPERIDIN-4-YL)(2-(4-ISOPROPYL-PIPERAZIN1-YL)ETHYL)-CARBAMATE
    31103 OJB 1 C19 H35 N3 O8 InChI=1S/C19H35N3O8/c1-3-
    14(25)20-8-6-9-21-15(26)7
    -4-5-10-29-19-16(22-12(2)
    24)18(28)17(27)13(11-23)3
    0-19/h13,16-19,23,27-28H,
    3-11H2,1-2H3,(H,20,25)(H,
    21,26)(H,22,24)/t13-,16-,
    17+,18-,19-/m1/s1;
    IKUNNZGUTWUXRA-LQDZTQBFSA-N    		 CCC(=O)NCCCNC(=O)CCCCO[C@H]1[C@@H]([C@H]
    ([C@H]([C@H](O1)CO)O)O)NC(=O)C; CCC(=O)N
    CCCNC(=O)CCCCO[CH]1O[CH](CO)[CH](O)[CH](
    O)[CH]1NC(C)=O; CCC(=O)NCCCNC(=O)CCCCO[C
    @@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(
    C)=O; CCC(=O)NCCCNC(=O)CCCCOC1C(C(C(C(O1
    )CO)O)O)NC(=O)C    		 5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide
    31104 OJC 35 C15 H21 N5 O13 P2 InChI=1S/C15H21N5O13P2/c1
    6-12-7-13(18-3-17-12)20(4
    -19-7)14-10(23)11-6(30-14
    )2-29-35(26,27)33-34(24,2
    5)28-1-5-8(21)9(22)15(31-
    5)32-11/h3-6,8-11,14-15,2
    1-23H,1-2H2,(H,24,25)(H,2
    6,27)(H2,16,17,18)/t5-,6-
    ,8-,9-,10-,11-,14-,15+/m1
    /s1;
    NDSLKXAJVDJCEG-ZQSHOCFMSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O
    [P](O)(=O)OC[CH]5O[CH](O[CH]4[CH]3O)[CH]
    (O)[CH]5O; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H
    ]([C@H]4[C@H](O3)COP(=O)(OP(=O)(OC[C@@H]
    5[C@H]([C@H]([C@@H](O5)O4)O)O)O)O)O)N; c
    1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OP(=
    O)(OCC5C(C(C(O5)O4)O)O)O)O)O)N; Nc1ncnc2
    c1ncn2C1OC2COP(=O)(O)OP(=O)(O)OCC3OC(OC2
    C1O)C(O)C3O; Nc1ncnc2n(cnc12)[C@@H]3O[C@
    @H]4CO[P](O)(=O)O[P](O)(=O)OC[C@H]5O[C@@
    H](O[C@H]4[C@H]3O)[C@H](O)[C@@H]5O    		 (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione
    31105 OJD 5 C12 H15 N O InChI=1S/C12H15NO/c14-12-
    8-11(9-13-12)7-6-10-4-2-1
    -3-5-10/h1-5,11H,6-9H2,(H
    ,13,14)/t11-/m1/s1;
    HSOKCKRDVRKPGT-LLVKDONJSA-N    		 O=C1C[C@@H](CCc2ccccc2)CN1; c1ccc(cc1)CC
    [C@@H]2CC(=O)NC2; O=C1C[CH](CCc2ccccc2)C
    N1; c1ccc(cc1)CCC2CC(=O)NC2; O=C2NCC(CCc
    1ccccc1)C2    		 (4R)-4-(2-phenylethyl)pyrrolidin-2-one
    31106 OJF 1 C73 H131 N7 O12 S InChI=1S/C73H131N7O12S/c1
    -4-7-10-13-16-19-22-25-28
    -31-34-37-40-50-66(83)77-
    65(73(90)80-64(55-82)72(8
    9)79-63(54-81)71(88)78-62
    (69(75)86)49-45-46-53-76-
    70(87)60-47-43-44-48-61(6
    0)74)58-93-57-59(92-68(85
    )52-42-39-36-33-30-27-24-
    21-18-15-12-9-6-3)56-91-6
    7(84)51-41-38-35-32-29-26
    -23-20-17-14-11-8-5-2/h43
    -44,47-48,59,62-65,81-82H
    ,4-42,45-46,49-58,74H2,1-
    3H3,(H2,75,86)(H,76,87)(H
    ,77,83)(H,78,88)(H,79,89)
    (H,80,90)/t59-,62-,63-,64
    -,65+/m1/s1;
    NZIMERKBZFHPKN-KURQGRNGSA-N    		 CCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCC
    CCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)NC
    (CO)C(=O)NC(CO)C(=O)NC(CCCCNC(=O)c1ccccc
    1N)C(=O)N; CCCCCCCCCCCCCCCC(=O)N[C@@H](C
    SC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC
    CCCCCCCCCCCCC)C(=O)N[C@H](CO)C(=O)N[C@H]
    (CO)C(=O)N[C@H](CCCCNC(=O)c1ccccc1N)C(=O
    )N; CCCCCCCCCCCCCCCC(=O)N[CH](CSC[CH](CO
    C(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
    CC)C(=O)N[CH](CO)C(=O)N[CH](CO)C(=O)N[CH
    ](CCCCNC(=O)c1ccccc1N)C(N)=O; CCCCCCCCCC
    CCCCCC(=O)N[C@@H](CSC[C@@H](COC(=O)CCCCC
    CCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[
    C@H](CO)C(=O)N[C@H](CO)C(=O)N[C@H](CCCCN
    C(=O)c1ccccc1N)C(N)=O    		 [(2~{R})-3-[(2~{R})-3-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-6-[(2-aminophenyl)carbonylamino]-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate
    31107 OJG 1 C16 H21 N3 O2 InChI=1S/C16H21N3O2/c20-1
    2-14-11-18-15(19-14)8-4-5
    -9-17-16(21)10-13-6-2-1-3
    -7-13/h1-3,6-7,11,20H,4-5
    ,8-10,12H2,(H,17,21)(H,18
    ,19);
    NWJHGXOXPDGAJH-UHFFFAOYSA-N    		 c1ccc(cc1)CC(=O)NCCCCc2[nH]c(cn2)CO; C(C
    NC(=O)Cc1ccccc1)CCc2ncc(CO)n2; OCc1[nH]c
    (CCCCNC(=O)Cc2ccccc2)nc1    		 N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide
    31108 OJH
    CHEMBL4589592    		 1 C20 H25 Br N4 O5 S InChI=1S/C20H25BrN4O5S/c1
    -12-7-8-24(10-12)31(29,30
    )16-9-14(5-6-15(16)21)22-
    17(26)11-25-18(27)20(2,13
    -3-4-13)23-19(25)28/h5-6,
    9,12-13H,3-4,7-8,10-11H2,
    1-2H3,(H,22,26)(H,23,28)/
    t12-,20+/m0/s1;
    XHAYAQCABOVSNX-FKIZINRSSA-N    		 C[C@H]1CCN(C1)[S](=O)(=O)c2cc(NC(=O)CN3C
    (=O)N[C@](C)(C4CC4)C3=O)ccc2Br; CC1CCN(C
    1)S(=O)(=O)c2cc(ccc2Br)NC(=O)CN3C(=O)C(N
    C3=O)(C)C4CC4; C[CH]1CCN(C1)[S](=O)(=O)c
    2cc(NC(=O)CN3C(=O)N[C](C)(C4CC4)C3=O)ccc
    2Br; C[C@H]1CCN(C1)S(=O)(=O)c2cc(ccc2Br)
    NC(=O)CN3C(=O)[C@@](NC3=O)(C)C4CC4    		 ~{N}-[4-bromanyl-3-[(3~{S})-3-methylpyrrolidin-1-yl]sulfonyl-phenyl]-2-[(4~{R})-4-cyclopropyl-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide
    31109 OJI
    CHEMBL1651367
    ZINC000040442819    		 0 C10 H13 N5 O4 InChI=1S/C10H13N5O4/c11-1
    0-12-1-4-8(14-10)15(3-13-
    4)9-7(18)6(17)5(2-16)19-9
    /h1,3,5-7,9,16-18H,2H2,(H
    2,11,12,14)/t5-,6-,7-,9-/
    m1/s1;
    JVOJULURLCZUDE-JXOAFFINSA-N    		 c1c2c(nc(n1)N)n(cn2)C3C(C(C(O3)CO)O)O; N
    c1ncc2ncn([CH]3O[CH](CO)[CH](O)[CH]3O)c2
    n1; c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@
    @H]([C@H](O3)CO)O)O; Nc1ncc2ncn([C@@H]3O
    [C@H](CO)[C@@H](O)[C@H]3O)c2n1    		 (2R,3R,4S,5R)-2-(2-azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
    31110 OJJ 1 C17 H23 N3 O3 InChI=1S/C17H23N3O3/c1-23
    -17(22)20(12-14-7-3-2-4-8
    -14)10-6-5-9-16-18-11-15(
    13-21)19-16/h2-4,7-8,11,2
    1H,5-6,9-10,12-13H2,1H3,(
    H,18,19);
    GXQBRZBQKFIKRS-UHFFFAOYSA-N    		 COC(=O)N(CCCCc1[nH]cc(CO)n1)Cc2ccccc2; O
    Cc2cnc(CCCCN(Cc1ccccc1)C(OC)=O)n2; COC(=
    O)N(CCCCc1[nH]cc(n1)CO)Cc2ccccc2    		 methyl benzyl{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
    31111 OJK 1 C7 H8 Cl N O2 InChI=1S/C7H8ClNO2/c8-5-2
    -6(10)4(3-9)1-7(5)11/h1-2
    ,10-11H,3,9H2;
    HHRDPHVERPGLEM-UHFFFAOYSA-N    		 NCc1cc(O)c(Cl)cc1O; c1c(c(cc(c1O)Cl)O)CN 2-(aminomethyl)-5-chloranyl-benzene-1,4-diol
    31112 OJL 1 C32 H34 F3 N5 O4 InChI=1S/C32H34F3N5O4/c1-
    5-39-10-12-40(13-11-39)18
    -22-8-9-23(15-25(22)32(33
    ,34)35)38-30(41)21-7-6-20
    (2)27(14-21)44-31-24-16-2
    8(42-3)29(43-4)17-26(24)3
    6-19-37-31/h6-9,14-17,19H
    ,5,10-13,18H2,1-4H3,(H,38
    ,41);
    AMHWQBGAKJESFB-UHFFFAOYSA-N    		 CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4nc
    nc5cc(OC)c(OC)cc45)c3)cc2C(F)(F)F; CCN1C
    CN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5cc(OC)
    c(OC)cc54)c3)cc2C(F)(F)F)CC1; CCN1CCN(CC
    1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc
    4c5cc(c(cc5ncn4)OC)OC)C    		 3-[(6,7-dimethoxyquinazolin-4-yl)oxy]-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methylbenzamide
    31113 OJM 1 C9 H14 N2 O3 InChI=1S/C9H14N2O3/c1-2-1
    4-9(13)4-3-8-10-5-7(6-12)
    11-8/h5,12H,2-4,6H2,1H3,(
    H,10,11);
    VCUVTHVKVNCVGZ-UHFFFAOYSA-N    		 CCOC(=O)CCc1[nH]cc(n1)CO; c1c(nc(CCC(=O)
    OCC)n1)CO; CCOC(=O)CCc1[nH]cc(CO)n1    		 ethyl 3-[4-(hydroxymethyl)-1H-imidazol-2-yl]propanoate
    31114 OJO 1 C13 H17 Cl N2 O2 InChI=1S/C13H17ClN2O2/c1-
    10(17)16-4-2-15(3-5-16)9-
    11-6-12(14)8-13(18)7-11/h
    6-8,18H,2-5,9H2,1H3;
    CZIBGCQCFNYACK-UHFFFAOYSA-N    		 CC(=O)N1CCN(CC1)Cc2cc(O)cc(Cl)c2; CC(=O)
    N1CCN(Cc2cc(Cl)cc(O)c2)CC1; CC(=O)N1CCN(
    CC1)Cc2cc(cc(c2)Cl)O    		 1-{4-[(3-chloro-5-hydroxyphenyl)methyl]piperazin-1-yl}ethan-1-one
    31115 OJP 1 C11 H17 N3 O2 InChI=1S/C11H17N3O2/c1-2-
    11(16)12-6-4-3-5-10-13-7-
    9(8-15)14-10/h2,7,15H,1,3
    -6,8H2,(H,12,16)(H,13,14);
    MRXPIIRFCTXJFT-UHFFFAOYSA-N    		 C=CC(=O)NCCCCc1[nH]cc(n1)CO; c1c(nc(CCCC
    NC(/C=C)=O)n1)CO; OCc1c[nH]c(CCCCNC(=O)C
    =C)n1    		 N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide
    31116 OJQ 6 C11 H15 N3 O7 P InChI=1S/C11H14N3O7P/c1-6
    -10(15)8(3-13-9-5-20-14-1
    1(9)16)7(2-12-6)4-21-22(1
    7,18)19/h2,5,13,15H,3-4H2
    ,1H3,(H,14,16)(H2,17,18,1
    9)/p+1;
    PXWFNGNWQUPGPJ-UHFFFAOYSA-O    		 Cc1c(c(c(cn1)COP(=O)(O)O)C[NH2+]c2conc2O
    )O; Cc1ncc(CO[P](O)(O)=O)c(C[NH2+]c2conc
    2O)c1O    		 [2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl-(3-oxidanyl-1,2-oxazol-4-yl)azanium
    31117 OJR 1 C24 H31 N7 O2 S InChI=1S/C24H31N7O2S/c25-
    34(32,33)23-20(15-16-7-11
    -26-12-8-16)5-6-21(22(23)
    24-28-30-31-29-24)19-3-1-
    17(2-4-19)18-9-13-27-14-1
    0-18/h1-6,16,18,26-27H,7-
    15H2,(H2,25,32,33)(H,28,2
    9,30,31);
    LHOHTNKBXFSQBC-UHFFFAOYSA-N    		 NS(=O)(=O)c1c(ccc(c1c1nnn[NH]1)c1ccc(cc1
    )C1CCNCC1)CC1CCNCC1; N[S](=O)(=O)c1c(CC2
    CCNCC2)ccc(c3ccc(cc3)C4CCNCC4)c1c5[nH]nn
    n5; c1cc(ccc1c2ccc(c(c2c3[nH]nnn3)S(=O)(
    =O)N)CC4CCNCC4)C5CCNCC5    		 (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
    31118 OJT
    CHEMBL4755111    		 2 C36 H36 Cl2 N4 O5 S InChI=1S/C36H36Cl2N4O5S/c
    1-22-26(11-12-28(32(22)38
    )46-18-17-42-15-13-41(2)1
    4-16-42)30-31-34(47-29(36
    (43)44)20-23-7-4-5-10-27(
    23)45-3)39-21-40-35(31)48
    -33(30)24-8-6-9-25(37)19-
    24/h4-12,19,21,29H,13-18,
    20H2,1-3H3,(H,43,44)/t29-
    /m1/s1;
    ZDIFLDSDDULOSG-GDLZYMKVSA-N    		 Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4
    sc3c5cccc(c5)Cl)OC(Cc6ccccc6OC)C(=O)O; C
    Oc1ccccc1C[C@@H](Oc2ncnc3sc(c4cccc(Cl)c4
    )c(c5ccc(OCCN6CCN(C)CC6)c(Cl)c5C)c23)C(O
    )=O; Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(
    ncnc4sc3c5cccc(c5)Cl)O[C@H](Cc6ccccc6OC)
    C(=O)O; COc1ccccc1C[CH](Oc2ncnc3sc(c4ccc
    c(Cl)c4)c(c5ccc(OCCN6CCN(C)CC6)c(Cl)c5C)
    c23)C(O)=O    		 (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid
    31119 OJU 0 C18 H33 Cl N5 O12 P2 InChI=1S/C18H32ClN5O12P2/
    c1-24(2,7-3-5-21-14(25)10
    -19)8-9-33-37(29,30)36-38
    (31,32)34-11-12-15(26)16(
    27)17(35-12)23-6-4-13(20)
    22-18(23)28/h4,6,12,15-17
    ,26-27H,3,5,7-11H2,1-2H3,
    (H4-,20,21,22,25,28,29,30
    ,31,32)/p+1;
    WZACJIDOHFHVTD-UHFFFAOYSA-O    		 C[N+](C)(CCCNC(=O)CCl)CCO[P](O)(=O)O[P](
    O)(=O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N; C[
    N+](C)(CCCNC(=O)CCl)CCOP(=O)(O)OP(=O)(O)
    OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O    		 2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium;
    Cytidine-diphosphate with a thiol-reactive chloroacetamide (cross-linker)
    31120 OJW
    CHEMBL4790822    		 1 C38 H38 Cl F N6 O6 S InChI=1S/C38H38ClFN6O6S/c
    1-23-26(8-9-28(34(23)39)4
    9-19-18-46-16-14-44(2)15-
    17-46)32-33-36(41-22-42-3
    7(33)53-35(32)29-10-11-31
    (40)51-29)52-30(38(47)48)
    20-24-6-4-5-7-27(24)50-21
    -25-12-13-43-45(25)3/h4-1
    3,22,30H,14-21H2,1-3H3,(H
    ,47,48)/t30-/m1/s1;
    AQVKIYGPKKZICS-SSEXGKCCSA-N    		 Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4
    sc3c5ccc(o5)F)O[C@H](Cc6ccccc6OCc7ccnn7C
    )C(=O)O; Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3
    c4c(ncnc4sc3c5ccc(o5)F)OC(Cc6ccccc6OCc7c
    cnn7C)C(=O)O; CN1CCN(CCOc2ccc(c(C)c2Cl)c
    3c(sc4ncnc(O[C@H](Cc5ccccc5OCc6ccnn6C)C(
    O)=O)c34)c7oc(F)cc7)CC1; CN1CCN(CCOc2ccc
    (c(C)c2Cl)c3c(sc4ncnc(O[CH](Cc5ccccc5OCc
    6ccnn6C)C(O)=O)c34)c7oc(F)cc7)CC1    		 (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[(2-methylpyrazol-3-yl)methoxy]phenyl]propanoic acid
    31121 OJX 4 C6 H7 N2 O3 InChI=1S/C6H6N2O3/c1-4-2-
    7-5(6(9)10)3-8(4)11/h2-3H
    ,1H3,(H-,7,9,10,11)/p+1;
    SVUSRFFHFGAVHH-UHFFFAOYSA-O    		 Cc1cnc(c[n+]1O)C(O)=O; Cc1cnc(c[n+]1O)C(
    =O)O    		 5-methyl-4-oxidanyl-pyrazin-4-ium-2-carboxylic acid
    31122 OJY 0 C9 H15 N3 O3 InChI=1S/C9H15N3O3/c10-7(
    9(14)15)2-1-3-8-11-4-6(5-
    13)12-8/h4,7,13H,1-3,5,10
    H2,(H,11,12)(H,14,15)/t7-
    /m0/s1;
    LQZCDDAMPJTCPF-ZETCQYMHSA-N    		 c1c([nH]c(n1)CCCC(C(=O)O)N)CO; c1c([nH]c
    (n1)CCC[C@@H](C(=O)O)N)CO; C(c1nc(CO)cn1
    )CCC(C(=O)O)N; N[CH](CCCc1[nH]c(CO)cn1)C
    (O)=O; N[C@@H](CCCc1[nH]c(CO)cn1)C(O)=O    		 5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvaline
    31123 OK0 1 C19 H19 F3 N6 O2 S InChI=1S/C19H19F3N6O2S/c2
    0-19(21,22)15-6-5-14(16(1
    7(15)31(23,29)30)18-25-27
    -28-26-18)13-3-1-11(2-4-1
    3)12-7-9-24-10-8-12/h1-6,
    12,24H,7-10H2,(H2,23,29,3
    0)(H,25,26,27,28);
    IVCVEUVKOPZGEI-UHFFFAOYSA-N    		 N[S](=O)(=O)c1c(ccc(c2ccc(cc2)C3CCNCC3)c
    1c4[nH]nnn4)C(F)(F)F; c1cc(ccc1c2ccc(c(c
    2c3[nH]nnn3)S(=O)(=O)N)C(F)(F)F)C4CCNCC4
    ; FC(F)(F)c1ccc(c(c1S(N)(=O)=O)c1nnn[NH]
    1)c1ccc(cc1)C1CCNCC1    		 (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide
    31124 OK1
    CHEMBL3634600
    ZINC000473158231    		 3 C15 H16 Cl N O5 InChI=1S/C15H16ClNO5/c16-
    10-6-11-13(7-12(10)21-8-9
    -2-1-3-9)22-15(20)17(11)5
    -4-14(18)19/h6-7,9H,1-5,8
    H2,(H,18,19);
    VZSAISDQEBTHJE-UHFFFAOYSA-N    		 c1c2c(cc(c1Cl)OCC3CCC3)OC(=O)N2CCC(=O)O;
    OC(=O)CCN1C(=O)Oc2cc(OCC3CCC3)c(Cl)cc12    		 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid
    31125 OK2
    CHEMBL4758300    		 1 C40 H38 Cl F N6 O5 S InChI=1S/C40H38ClFN6O5S/c
    1-25-30(11-12-32(36(25)41
    )51-20-19-48-17-15-47(2)1
    6-18-48)34-35-38(45-24-46
    -39(35)54-37(34)26-7-9-28
    (42)10-8-26)53-33(40(49)5
    0)21-27-5-3-4-6-31(27)52-
    23-29-22-43-13-14-44-29/h
    3-14,22,24,33H,15-21,23H2
    ,1-2H3,(H,49,50)/t33-/m1/
    s1;
    SADZXBZFMGZHNM-MGBGTMOVSA-N    		 Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4
    sc3c5ccc(cc5)F)O[C@H](Cc6ccccc6OCc7cnccn
    7)C(=O)O; CN1CCN(CCOc2ccc(c(C)c2Cl)c3c(s
    c4ncnc(O[CH](Cc5ccccc5OCc6cnccn6)C(O)=O)
    c34)c7ccc(F)cc7)CC1; Cc1c(ccc(c1Cl)OCCN2
    CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F)OC(C
    c6ccccc6OCc7cnccn7)C(=O)O; CN1CCN(CCOc2c
    cc(c(C)c2Cl)c3c(sc4ncnc(O[C@H](Cc5ccccc5
    OCc6cnccn6)C(O)=O)c34)c7ccc(F)cc7)CC1    		 (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-(pyrazin-2-ylmethoxy)phenyl]propanoic acid
    31126 OK3
    CHEMBL4461260    		 9 C17 H18 B N2 O6 InChI=1S/C17H18BN2O6/c19-
    9-10-4-6-11(7-5-10)16(21)
    20-14-8-12-2-1-3-13(17(22
    )23)15(12)26-18(14,24)25/
    h1-7,14,24-25H,8-9,19H2,(
    H,20,21)(H,22,23)/q-1/t14
    -/m0/s1;
    QLXKUYDHLJOWQG-AWEZNQCLSA-N    		 NCc1ccc(cc1)C(=O)N[C@H]2Cc3cccc(C(O)=O)c
    3O[B-]2(O)O; [B-]1(C(Cc2cccc(c2O1)C(=O)O
    )NC(=O)c3ccc(cc3)CN)(O)O; [B-]1([C@H](Cc
    2cccc(c2O1)C(=O)O)NC(=O)c3ccc(cc3)CN)(O)
    O; NCc1ccc(cc1)C(=O)N[CH]2Cc3cccc(C(O)=O
    )c3O[B-]2(O)O    		 (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid
    31127 OK4 1 C19 H32 N6 O5 InChI=1S/C19H32N6O5/c1-10
    (2)16(17(20)28)25-19(30)1
    4(24-18(29)11(3)22-12(4)2
    7)6-5-7-15-21-8-13(9-26)2
    3-15/h8,10-11,14,16,26H,5
    -7,9H2,1-4H3,(H2,20,28)(H
    ,21,23)(H,22,27)(H,24,29)
    (H,25,30)/t11-,14-,16-/m0
    /s1;
    QZMKEXBPFOEOMP-PJODQICGSA-N    		 C(=O)(C)NC(C)C(=O)NC(C(=O)NC(C(N)=O)C(C)
    C)CCCc1nc(CO)cn1; CC(C)[C@H](NC(=O)[C@H]
    (CCCc1[nH]c(CO)cn1)NC(=O)[C@H](C)NC(C)=O
    )C(N)=O; CC(C)C(C(=O)N)NC(=O)C(CCCc1[nH]
    c(cn1)CO)NC(=O)C(C)NC(=O)C; C[C@@H](C(=O
    )N[C@@H](CCCc1[nH]c(cn1)CO)C(=O)N[C@@H](
    C(C)C)C(=O)N)NC(=O)C; CC(C)[CH](NC(=O)[C
    H](CCCc1[nH]c(CO)cn1)NC(=O)[CH](C)NC(C)=
    O)C(N)=O    		 N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide
    31128 OK5
    CHEMBL4788274    		 2 C47 H44 Cl F N6 O6 S InChI=1S/C47H44ClFN6O6S/c
    1-29-34(16-17-38(42(29)48
    )59-25-24-55-22-20-54(2)2
    1-23-55)40-41-45(51-28-52
    -46(41)62-43(40)30-12-14-
    32(49)15-13-30)61-39(47(5
    6)57)26-31-8-4-6-10-36(31
    )60-27-33-18-19-50-44(53-
    33)35-9-5-7-11-37(35)58-3
    /h4-19,28,39H,20-27H2,1-3
    H3,(H,56,57)/t39-/m1/s1;
    PKYIMGFMRFVOMB-LDLOPFEMSA-N    		 COc1ccccc1c2nccc(COc3ccccc3C[C@@H](Oc4nc
    nc5sc(c6ccc(F)cc6)c(c7ccc(OCCN8CCN(C)CC8
    )c(Cl)c7C)c45)C(O)=O)n2; Cc1c(ccc(c1Cl)O
    CCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F)
    OC(Cc6ccccc6OCc7ccnc(n7)c8ccccc8OC)C(=O)
    O; COc1ccccc1c2nccc(COc3ccccc3C[CH](Oc4n
    cnc5sc(c6ccc(F)cc6)c(c7ccc(OCCN8CCN(C)CC
    8)c(Cl)c7C)c45)C(O)=O)n2; Cc1c(ccc(c1Cl)
    OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F
    )O[C@H](Cc6ccccc6OCc7ccnc(n7)c8ccccc8OC)
    C(=O)O    		 (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
    31129 OK6
    CHEMBL5204143    		 2 C27 H29 N9 O13 P2 InChI=1S/C27H29N9O13P2/c2
    8-21-15-12(11-4-2-1-3-5-1
    1)6-35(22(15)31-9-30-21)2
    5-18(38)19-14(47-25)8-45-
    51(42,43)49-20-17(37)13(7
    -44-50(40,41)48-19)46-26(
    20)36-10-32-16-23(36)33-2
    7(29)34-24(16)39/h1-6,9-1
    0,13-14,17-20,25-26,37-38
    H,7-8H2,(H,40,41)(H,42,43
    )(H2,28,30,31)(H3,29,33,3
    4,39)/t13-,14-,17-,18-,19
    -,20-,25-,26-/m1/s1;
    FBIPVHNFXGBUQO-RTZOWOBBSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)
    (=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)
    O[CH]3[CH]4O)n6cc(c7ccccc7)c8c(N)ncnc68;
    NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@@H]4CO[
    P](O)(=O)O[C@H]5[C@@H](O)[C@@H](O[C@@H]5
    CO[P](O)(=O)O[C@@H]3[C@@H]4O)n6cc(c7cccc
    c7)c8c(N)ncnc68; c1ccc(cc1)c2cn(c3c2c(nc
    n3)N)C4C(C5C(O4)COP(=O)(OC6C(C(COP(=O)(O
    5)O)OC6n7cnc8c7N=C(NC8=O)N)O)O)O; c1ccc(
    cc1)c2cn(c3c2c(ncn3)N)[C@H]4[C@@H]([C@H]
    5[C@H](O4)COP(=O)(O[C@@H]6[C@@H]([C@@H](
    COP(=O)(O5)O)O[C@H]6n7cnc8c7N=C(NC8=O)N)
    O)O)O    		 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one;
    2',3'-cyclic-GMP-7-deazaphenyl-AMP
    31130 OK7
    ZINC000000281105    		 2 C6 H7 N O S InChI=1S/C6H7NOS/c1-5(8)7
    -6-3-2-4-9-6/h2-4H,1H3,(H
    ,7,8);
    FSATURPVOMZWBY-UHFFFAOYSA-N    		 CC(=O)Nc1sccc1; CC(=O)Nc1cccs1 N-(thiophen-2-yl)acetamide
    31131 OK8
    ZINC000004096553    		 5 C13 H19 N4 O12 P InChI=1S/C13H19N4O12P/c14
    -10-7(11(22)16-4(13(23)24
    )1-6(18)19)15-3-17(10)12-
    9(21)8(20)5(29-12)2-28-30
    (25,26)27/h3-5,8-9,12,20-
    21H,1-2,14H2,(H,16,22)(H,
    18,19)(H,23,24)(H2,25,26,
    27)/t4-,5+,8+,9+,12+/m0/s
    1;
    NAQGHJTUZRHGAC-ZZZDFHIKSA-N    		 c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO
    P(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=
    O)O; Nc1n(cnc1C(=O)N[CH](CC(O)=O)C(O)=O)
    [CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O;
    Nc1n(cnc1C(=O)N[C@@H](CC(O)=O)C(O)=O)[C@
    @H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2
    O; c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)N
    )C(=O)NC(CC(=O)O)C(=O)O    		 (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid;
    SAICAR
    31132 OK9 1 C16 H16 N2 O3 S2 InChI=1S/C16H16N2O3S2/c19
    -11-12(17-16(20)14-2-1-9-
    22-14)10-13-3-4-15(23-13)
    18-5-7-21-8-6-18/h1-4,9-1
    1H,5-8H2,(H,17,20)/b12-10
    -;
    KZHJLIYVOMIHCX-BENRWUELSA-N    		 O=CC(/NC(=O)c1sccc1)=C/c2sc(cc2)N3CCOCC3
    ; O=CC(NC(=O)c1sccc1)=Cc2sc(cc2)N3CCOCC3
    ; c1cc(sc1)C(=O)N/C(=C\c2ccc(s2)N3CCOCC3
    )/C=O; c1cc(sc1)C(=O)NC(=Cc2ccc(s2)N3CCO
    CC3)C=O; O=C\C(NC(=O)c1cccs1)=C\c1ccc(s1
    )N1CCOCC1    		 N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide
    31133 OKA
    CHEMBL280487
    DB02169
    ZINC000085601542    		 4 C44 H68 O13 InChI=1S/C44H68O13/c1-25-
    21-34(55-44(23-25)35(46)1
    2-11-31(54-44)24-41(6,50)
    40(48)49)26(2)9-10-30-14-
    18-43(53-30)19-15-33-39(5
    7-43)36(47)29(5)38(52-33)
    32(45)22-28(4)37-27(3)13-
    17-42(56-37)16-7-8-20-51-
    42/h9-10,23,26-28,30-39,4
    5-47,50H,5,7-8,11-22,24H2
    ,1-4,6H3,(H,48,49)/b10-9+
    /t26-,27-,28+,30+,31+,32+
    ,33-,34+,35-,36-,37+,38+,
    39-,41-,42+,43-,44-/m1/s1;
    QNDVLZJODHBUFM-WFXQOWMNSA-N    		 C[CH]1CC[C]2(CCCCO2)O[CH]1[CH](C)C[CH](O
    )[CH]3O[CH]4CC[C]5(CC[CH](O5)C=C[CH](C)[
    CH]6CC(=C[C]7(O[CH](CC[CH]7O)C[C](C)(O)C
    (O)=O)O6)C)O[CH]4[CH](O)C3=C; C[C@@H]1CC
    [C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C
    @@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O
    4)CC[C@@H](O5)\C=C\[C@@H](C)[C@@H]6CC(=C
    [C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=
    O)O)O)O)C)O)O; CC1CCC2(CCCCO2)OC1C(C)CC(
    C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)C=CC(C)C6
    CC(=CC7(O6)C(CCC(O7)CC(C)(C(=O)O)O)O)C)O
    )O; C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H
    ](C)C[C@H](O)[C@H]3O[C@@H]4CC[C@@]5(CC[C
    @@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7
    (O[C@@H](CC[C@H]7O)C[C@@](C)(O)C(O)=O)O6
    )C)O[C@H]4[C@H](O)C3=C; O=C(O)C(O)(C)CC7
    OC1(OC(CC(=C1)C)C(/C=C/C6OC2(OC3C(O)\C(=
    C)C(OC3CC2)C(O)CC(C5OC4(OCCCC4)CCC5C)C)C
    C6)C)C(O)CC7    		 OKADAIC ACID;
    9,10-DEEPITHIO-9,10-DIDEHYDROACANTHIFOLICIN
    31134 OKC 1 C18 H20 N6 O2 S InChI=1S/C18H20N6O2S/c19-
    27(25,26)16-3-1-2-15(17(1
    6)18-21-23-24-22-18)14-6-
    4-12(5-7-14)13-8-10-20-11
    -9-13/h1-7,13,20H,8-11H2,
    (H2,19,25,26)(H,21,22,23,
    24);
    JLWPVVFPXXZFHC-UHFFFAOYSA-N    		 c1cc(c(c(c1)S(=O)(=O)N)c2[nH]nnn2)c3ccc(
    cc3)C4CCNCC4; N[S](=O)(=O)c1cccc(c2ccc(c
    c2)C3CCNCC3)c1c4[nH]nnn4; NS(=O)(=O)c1cc
    cc(c1c1nnn[NH]1)c1ccc(cc1)C1CCNCC1    		 (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
    31135 OKD
    CHEMBL1234976
    ZINC000058633045    		 1 C24 H41 N5 O12 InChI=1S/C24H41N5O12/c1-3
    7-8-9-38-10-11-39-12-13-4
    0-14-15-41-17-18-16-29(28
    -27-18)7-3-2-4-19(22(32)3
    3)25-24(36)26-20(23(34)35
    )5-6-21(30)31/h16,19-20H,
    2-15,17H2,1H3,(H,30,31)(H
    ,32,33)(H,34,35)(H2,25,26
    ,36)/t19-,20-/m0/s1;
    USQOBCXXBZGYAH-PMACEKPBSA-N    		 COCCOCCOCCOCCOCc1cn(CCCC[C@H](NC(=O)N[C@
    @H](CCC(O)=O)C(O)=O)C(O)=O)nn1; O=C(O)C(
    NC(=O)NC(C(=O)O)CCCCn1nnc(c1)COCCOCCOCCO
    CCOC)CCC(=O)O; COCCOCCOCCOCCOCc1cn(nn1)C
    CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)
    C(=O)O; COCCOCCOCCOCCOCc1cn(CCCC[CH](NC(
    =O)N[CH](CCC(O)=O)C(O)=O)C(O)=O)nn1; COC
    COCCOCCOCCOCc1cn(nn1)CCCCC(C(=O)O)NC(=O)
    NC(CCC(=O)O)C(=O)O    		 N-({(1S)-1-CARBOXY-5-[4-(2,5,8,11,14-PENTAOXAPENTADEC-1-YL)-1H-1,2,3-TRIAZOL-1-YL]PENTYL}CARBAMOYL)-L-GLUTAMIC ACID
    31136 OKE
    CHEMBL3786715
    ZINC000000409349    		 3 C8 H10 O3 InChI=1S/C8H10O3/c1-11-7-
    4-2-3-6(5-9)8(7)10/h2-4,9
    -10H,5H2,1H3;
    OSZHSESNQIMXMZ-UHFFFAOYSA-N    		 COc1cccc(c1O)CO; COc1cccc(CO)c1O 2-(hydroxymethyl)-6-methoxy-phenol;
    o-vanillin
    31137 OKF
    ZINC000000941040    		 1 C24 H21 N O2 InChI=1S/C24H21NO2/c1-17-
    12-13-21-20(16-17)23(18-8
    -4-2-5-9-18)24(19-10-6-3-
    7-11-19)25(21)15-14-22(26
    )27/h2-13,16H,14-15H2,1H3
    ,(H,26,27);
    PTAQSYCAZMXLFA-UHFFFAOYSA-N    		 O=C(O)CCn1c2ccc(C)cc2c(c2ccccc2)c1c1cccc
    c1; Cc1ccc2c(c1)c(c(n2CCC(=O)O)c3ccccc3)
    c4ccccc4; Cc1ccc2n(CCC(O)=O)c(c3ccccc3)c
    (c4ccccc4)c2c1    		 3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid
    31138 OKG 1 C4 H5 O5 InChI=1S/C4H6O5/c5-3(6)1-
    2-4(7)9-8/h8H,1-2H2,(H,5,
    6)/p-1;
    WBOQHFMXKCEWSQ-UHFFFAOYSA-M    		 C(CC(=O)O[O-])C(=O)O; OC(=O)CCC(=O)O[O-] 4-peroxy-4-oxobutanoic acid
    31139 OKH
    ZINC000058661266    		 2 C28 H32 Cl N3 O3 InChI=1S/C28H32ClN3O3/c29
    -21-14-11-19(12-15-21)26-
    31-23-16-13-20(28(34)35)1
    7-24(23)32(26)25(18-7-3-1
    -4-8-18)27(33)30-22-9-5-2
    -6-10-22/h11-18,22,25H,1-
    10H2,(H,30,33)(H,34,35)/t
    25-/m0/s1;
    BGTNSFBYQMPTOK-VWLOTQADSA-N    		 c1cc(ccc1c2nc3ccc(cc3n2[C@@H](C4CCCCC4)C
    (=O)NC5CCCCC5)C(=O)O)Cl; OC(=O)c1ccc2nc(
    n([C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c2c1)c5
    ccc(Cl)cc5; O=C(O)c2ccc3nc(c1ccc(Cl)cc1)
    n(c3c2)C(C(=O)NC4CCCCC4)C5CCCCC5; OC(=O)
    c1ccc2nc(n([CH](C3CCCCC3)C(=O)NC4CCCCC4)
    c2c1)c5ccc(Cl)cc5; c1cc(ccc1c2nc3ccc(cc3
    n2C(C4CCCCC4)C(=O)NC5CCCCC5)C(=O)O)Cl    		 2-(4-chlorophenyl)-1-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1H-benzimidazole-6-carboxylic acid
    31140 OKI
    ZINC000058633048    		 2 C27 H32 Cl N3 O InChI=1S/C27H32ClN3O/c28-
    21-17-15-20(16-18-21)26-3
    0-23-13-7-8-14-24(23)31(2
    6)25(19-9-3-1-4-10-19)27(
    32)29-22-11-5-2-6-12-22/h
    7-8,13-19,22,25H,1-6,9-12
    H2,(H,29,32)/t25-/m0/s1;
    DZGNRZLPMHOISU-VWLOTQADSA-N    		 Clc1ccc(cc1)c2nc3ccccc3n2[C@@H](C4CCCCC4
    )C(=O)NC5CCCCC5; Clc5ccc(c2nc1ccccc1n2C(
    C(=O)NC3CCCCC3)C4CCCCC4)cc5; c1ccc2c(c1)
    nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5cc
    c(cc5)Cl; Clc1ccc(cc1)c2nc3ccccc3n2[CH](
    C4CCCCC4)C(=O)NC5CCCCC5; c1ccc2c(c1)nc(n
    2C(C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)Cl    		 (2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide
    31141 OKJ
    ZINC000098209264    		 0 C10 H13 N O3 InChI=1S/C10H13NO3/c11-9(
    10(14)6-12)5-7-1-3-8(13)4
    -2-7/h1-4,6,9-10,13-14H,5
    ,11H2/t9-,10+/m0/s1;
    NRVTUDHUXQCQSW-VHSXEESVSA-N    		 c1cc(ccc1C[C@@H]([C@@H](C=O)O)N)O; N[C@@
    H](Cc1ccc(O)cc1)[C@H](O)C=O; O=CC(O)C(N)
    Cc1ccc(O)cc1; c1cc(ccc1CC(C(C=O)O)N)O; N
    [CH](Cc1ccc(O)cc1)[CH](O)C=O    		 (2S,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butanal
    31142 OKL
    CHEMBL3730241    		 5 C10 H13 Cl N4 O2 InChI=1S/C10H13ClN4O2/c1-
    2-3-4-5-15-7-6(12-9(11)13
    -7)8(16)14-10(15)17/h2-5H
    2,1H3,(H,12,13)(H,14,16,1
    7);
    CGAMDQCXAAOFSR-UHFFFAOYSA-N    		 CCCCCN1c2c([nH]c(n2)Cl)C(=O)NC1=O; CCCCC
    N1C(=O)NC(=O)c2[nH]c(Cl)nc12    		 8-chloranyl-3-pentyl-7H-purine-2,6-dione
    31143 OKM
    ZINC000013540805    		 4 C8 H15 N5 O InChI=1S/C8H15N5O/c1-4-9-
    6-11-7(10-5(2)3)13-8(14)1
    2-6/h5H,4H2,1-3H3,(H3,9,1
    0,11,12,13,14);
    NFMIMWNQWAWNDW-UHFFFAOYSA-N    		 CCNc1nc(nc(n1)O)NC(C)C; CC(Nc1nc(nc(NCC)
    n1)O)C; CCNc1nc(O)nc(NC(C)C)n1    		 4-(ethylamino)-6-[(propan-2-yl)amino]-1,3,5-triazin-2-ol
    31144 OKN 0 C10 H16 N3 O6 P S InChI=1S/C10H16N3O6PS/c1-
    5-3-13(10(15)12-9(5)11)8-
    2-6(14)7(19-8)4-18-20(16,
    17)21/h3,6-8,14H,2,4H2,1H
    3,(H2,11,12,15)(H2,16,17,
    21)/t6-,7+,8+/m0/s1;
    UZWQYGFEEXJOHY-XLPZGREQSA-N    		 CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2
    )COP(=O)(O)S)O; CC1=CN(C(=O)N=C1N)C2CC(C
    (O2)COP(=O)(O)S)O; CC1=CN([C@H]2C[C@H](O
    )[C@@H](CO[P](O)(S)=O)O2)C(=O)N=C1N; CC1
    =CN([CH]2C[CH](O)[CH](CO[P](O)(S)=O)O2)C
    (=O)N=C1N    		 5'-methyl-2'-deoxycytidine-5'-phosphorothioate
    31145 OKO
    CHEMBL4434674
    ZINC000095938263    		 1 C24 H28 N6 O5 S InChI=1S/C24H28N6O5S/c1-1
    4-11-30(12-15(2)34-14)13-
    18-9-26-23(35-18)19-5-16(
    6-21-20(19)10-27-28-21)17
    -7-22(29-36(4,31)32)24(33
    -3)25-8-17/h5-10,14-15,29
    H,11-13H2,1-4H3,(H,27,28)
    /t14-,15+;
    NLUPPCTVKHDVIQ-GASCZTMLSA-N    		 COc1ncc(cc1N[S](C)(=O)=O)c2cc3[nH]ncc3c(
    c2)c4oc(CN5C[C@@H](C)O[C@@H](C)C5)cn4; C
    C1CN(CC(O1)C)Cc2cnc(o2)c3cc(cc4c3cn[nH]4
    )c5cc(c(nc5)OC)NS(=O)(=O)C; C[C@@H]1CN(C
    [C@@H](O1)C)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)
    c5cc(c(nc5)OC)NS(=O)(=O)C; COc1ncc(cc1N[
    S](C)(=O)=O)c2cc3[nH]ncc3c(c2)c4oc(CN5C[
    CH](C)O[CH](C)C5)cn4    		 N-[5-[4-(5-{[(2R,6S)-2,6-DIMETHYL-4-MORPHOLINYL]METHYL}-1,3-OXAZOL-2-YL)-1H-INDAZOL-6-YL]-2-(METHYLOXY)-3-PYRIDINYL]METHANESULFONAMIDE
    31146 OKP
    CHEMBL3546227
    ZINC000170188501    		 4 C8 H21 B N2 O2 InChI=1S/C8H21BN2O2/c10-6
    -4-8-11-7-3-1-2-5-9(12)13
    /h11-13H,1-8,10H2;
    WPADTVBHZOIAHR-UHFFFAOYSA-N    		 NCCCNCCCCCB(O)O; C(B(O)O)CCCCNCCCN; B(CC
    CCCNCCCN)(O)O    		 {5-[(3-aminopropyl)amino]pentyl}boronic acid
    31147 OKQ 0 C10 H16 N3 O7 P S InChI=1S/C10H16N3O7PS/c1-
    18-8-7(14)5(4-19-21(16,17
    )22)20-9(8)13-3-2-6(11)12
    -10(13)15/h2-3,5,7-9,14H,
    4H2,1H3,(H2,11,12,15)(H2,
    16,17,22)/t5-,7-,8-,9-/m1
    /s1;
    JKIZWHJBBPPNBB-ZOQUXTDFSA-N    		 CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2
    =O)N)COP(=O)(O)S)O; CO[CH]1[CH](O)[CH](C
    O[P](O)(S)=O)O[CH]1N2C=CC(=NC2=O)N; CO[C
    @@H]1[C@H](O)[C@@H](CO[P](O)(S)=O)O[C@H]
    1N2C=CC(=NC2=O)N; COC1C(C(OC1N2C=CC(=NC2
    =O)N)COP(=O)(O)S)O    		 2'-O-methylcytidine-5'-phosphorothioate
    31148 OKR 5 C20 H28 N10 O21 P4 InChI=1S/C20H28N10O21P4/c
    21-19-25-13-7(15(34)27-19
    )23-3-29(13)17-11(33)9(31
    )5(47-17)1-45-53(39,40)49
    -12-10(32)6(2-46-54(41,42
    )51-55(43,44)50-52(36,37)
    38)48-18(12)30-4-24-8-14(
    30)26-20(22)28-16(8)35/h3
    -6,9-12,17-18,31-33H,1-2H
    2,(H,39,40)(H,41,42)(H,43
    ,44)(H2,36,37,38)(H3,21,2
    5,27,34)(H3,22,26,28,35)/
    t5-,6-,9-,10-,11-,12-,17-
    ,18-/m1/s1;
    GILDQNNERNWCKN-MHARETSRSA-N    		 c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4
    n5cnc6c5N=C(NC6=O)N)COP(=O)(O)OP(=O)(O)O
    P(=O)(O)O)O)O)O)N=C(NC2=O)N; NC1=Nc2n(cn
    c2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[C@
    @H]4[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(=
    O)O[P](O)(O)=O)O[C@H]4n5cnc6C(=O)NC(=Nc5
    6)N)[C@@H](O)[C@H]3O; NC1=Nc2n(cnc2C(=O)
    N1)[CH]3O[CH](CO[P](O)(=O)O[CH]4[CH](O)[
    CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)
    O[CH]4n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3
    O; c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3
    )COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n
    5cnc6c5N=C(NC6=O)N)COP(=O)(O)OP(=O)(O)OP
    (=O)(O)O)O)O)O)N=C(NC2=O)N    		 [[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
    31149 OKS
    ZINC000141111346    		 2 C8 H18 N2 O2 InChI=1S/C8H18N2O2/c9-7-5
    -3-1-2-4-6-8(11)10-12/h12
    H,1-7,9H2,(H,10,11);
    GPJAXDUQXFPTEI-UHFFFAOYSA-N    		 C(CCCCCCC(=O)NO)N; C(CCCC(=O)NO)CCCN; NC
    CCCCCCC(=O)NO    		 8-amino-N-hydroxyoctanamide
    31150 OKT 0 C10 H15 N2 O8 P S InChI=1S/C10H15N2O8PS/c1-
    18-8-7(14)5(4-19-21(16,17
    )22)20-9(8)12-3-2-6(13)11
    -10(12)15/h2-3,5,7-9,14H,
    4H2,1H3,(H,11,13,15)(H2,1
    6,17,22)/t5-,7-,8-,9-/m1/
    s1;
    IEWLRLDHDVZUFQ-ZOQUXTDFSA-N    		 CO[CH]1[CH](O)[CH](CO[P](O)(S)=O)O[CH]1N
    2C=CC(=O)NC2=O; CO[C@@H]1[C@@H]([C@H](O[
    C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)S)O; CO[C
    @@H]1[C@H](O)[C@@H](CO[P](O)(S)=O)O[C@H]
    1N2C=CC(=O)NC2=O; COC1C(C(OC1N2C=CC(=O)N
    C2=O)COP(=O)(O)S)O    		 2'-O-methyluridine-5'-phosphorothioate
    31151 OKU 1 C35 H36 N6 O5 InChI=1S/C35H36N6O5/c1-21
    -12-23(13-27-20-37-40-30(
    21)27)15-29-33(43)41(2)7-
    9-46-11-10-45-8-3-4-22-14
    -28-31(36-19-22)39-34(44)
    35(28)17-25-6-5-24(32(42)
    38-29)16-26(25)18-35/h3-6
    ,12-14,16,19-20,29H,7-11,
    15,17-18H2,1-2H3,(H,37,40
    )(H,38,42)(H,36,39,44)/b4
    -3+/t29-,35-/m1/s1;
    LJMGRDULDLZQAJ-ATKWODBQSA-N    		 Cc1cc(cc2c1n[nH]c2)C[C@@H]3C(=O)N(CCOCCO
    C/C=C/c4cc5c(nc4)NC(=O)[C@@]56Cc7ccc(cc7
    C6)C(=O)N3)C; CN1CCOCCOCC=Cc2cnc3NC(=O)[
    C]4(Cc5ccc(cc5C4)C(=O)N[CH](Cc6cc(C)c7n[
    nH]cc7c6)C1=O)c3c2; Cc1cc(cc2c1n[nH]c2)C
    C3C(=O)N(CCOCCOCC=Cc4cc5c(nc4)NC(=O)C56C
    c7ccc(cc7C6)C(=O)N3)C; CN1CCOCCOC/C=C/c2
    cnc3NC(=O)[C@@]4(Cc5ccc(cc5C4)C(=O)N[C@H
    ](Cc6cc(C)c7n[nH]cc7c6)C1=O)c3c2    		 (1~{R},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3,5,7(30),20,22,24,28-heptaene-8,11,27-trione
    31152 OKV
    ZINC000020181932    		 1 C21 H22 F3 N3 O3 S InChI=1S/C21H22F3N3O3S/c1
    -15(28)27-8-7-16-13-19(5-
    6-20(16)27)31(29,30)26-11
    -9-25(10-12-26)18-4-2-3-1
    7(14-18)21(22,23)24/h2-6,
    13-14H,7-12H2,1H3;
    JRTCXCIMCOKGMN-UHFFFAOYSA-N    		 CC(=O)N1CCc2cc(ccc12)[S](=O)(=O)N3CCN(CC
    3)c4cccc(c4)C(F)(F)F; c2cc1N(C(=O)C)CCc1
    cc2S(N4CCN(c3cc(ccc3)C(F)(F)F)CC4)(=O)=O
    ; CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC
    3)c4cccc(c4)C(F)(F)F    		 1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one
    31153 OKW 1 C16 H15 Cl N2 O InChI=1S/C16H15ClN2O/c17-
    13-5-1-3-11(7-13)8-16(20)
    19-15-10-18-9-12-4-2-6-14
    (12)15/h1,3,5,7,9-10H,2,4
    ,6,8H2,(H,19,20);
    NJHYHXQHRGWKMO-UHFFFAOYSA-N    		 Clc1cccc(c1)CC(=O)Nc1cncc2CCCc21; c1cc(c
    c(c1)Cl)CC(=O)Nc2cncc3c2CCC3; Clc1cccc(C
    C(=O)Nc2cncc3CCCc23)c1    		 2-(3-chlorophenyl)-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)acetamide
    31154 OKX 2 C21 H30 N10 O19 P4 InChI=1S/C21H30N10O19P4/c
    22-15-9-16(25-3-24-15)30(
    4-26-9)19-13(34)11(32)7(4
    7-19)2-46-54(43,44)49-14-
    12(33)8(1-45-51(36,37)6-5
    2(38,39)50-53(40,41)42)48
    -20(14)31-5-27-10-17(31)2
    8-21(23)29-18(10)35/h3-5,
    7-8,11-14,19-20,32-34H,1-
    2,6H2,(H,36,37)(H,38,39)(
    H,43,44)(H2,22,24,25)(H2,
    40,41,42)(H3,23,28,29,35)
    /t7-,8-,11-,12-,13-,14-,1
    9-,20-/m1/s1;
    MOGLXPLTEXRGML-XPWFQUROSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O
    C4C(C(OC4n5cnc6c5N=C(NC6=O)N)COP(=O)(CP(
    =O)(O)OP(=O)(O)O)O)O)O)O)N; NC1=Nc2n(cnc
    2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)C[P](O)(
    =O)O[P](O)(O)=O)[CH](O)[CH]3O[P](O)(=O)O
    C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc
    56; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](C
    O[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)[C@@H
    ](O)[C@H]3O[P](O)(=O)OC[C@H]4O[C@H]([C@H
    ](O)[C@@H]4O)n5cnc6c(N)ncnc56; c1nc(c2c(
    n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO
    P(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cn
    c6c5N=C(NC6=O)N)COP(=O)(CP(=O)(O)OP(=O)(
    O)O)O)O)O)O)N    		 [(2~{R},3~{R},4~{R},5~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-[[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid
    31155 OKY 1 C21 H21 Cl F3 N3 O3 S InChI=1S/C21H21ClF3N3O3S/
    c1-14(29)28-5-4-15-10-19(
    2-3-20(15)28)32(30,31)27-
    8-6-26(7-9-27)18-12-16(21
    (23,24)25)11-17(22)13-18/
    h2-3,10-13H,4-9H2,1H3;
    PDEIRNVIXFZSSJ-UHFFFAOYSA-N    		 CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)
    c4cc(cc(c4)Cl)C(F)(F)F; c2cc1N(C(C)=O)CC
    c1cc2S(N4CCN(c3cc(cc(c3)Cl)C(F)(F)F)CC4)
    (=O)=O; CC(=O)N1CCc2cc(ccc12)[S](=O)(=O)
    N3CCN(CC3)c4cc(Cl)cc(c4)C(F)(F)F    		 1-[5-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one
    31156 OKZ 1 C13 H14 N2 O4 S InChI=1S/C13H14N2O4S/c1-2
    -9-14-20(18,19)11-5-3-10(
    4-6-11)15-12(16)7-8-13(15
    )17/h3-8,14H,2,9H2,1H3;
    CDNAYYFPRZRBSM-UHFFFAOYSA-N    		 CCCN[S](=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O;
    CCCNS(=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O    		 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide
    31157 OL0 1 C36 H38 N6 O5 InChI=1S/C36H38N6O5/c1-22
    -13-24(14-28-21-38-42(3)3
    1(22)28)16-30-34(44)41(2)
    8-10-47-12-11-46-9-4-5-23
    -15-29-32(37-20-23)40-35(
    45)36(29)18-26-7-6-25(33(
    43)39-30)17-27(26)19-36/h
    4-7,13-15,17,20-21,30H,8-
    12,16,18-19H2,1-3H3,(H,39
    ,43)(H,37,40,45)/b5-4+/t3
    0-,36+/m1/s1;
    CMWUSNZCLACMEQ-CICYPKTGSA-N    		 CN1CCOCCOC/C=C/c2cnc3NC(=O)[C@]4(Cc5ccc(
    cc5C4)C(=O)N[C@H](Cc6cc(C)c7n(C)ncc7c6)C
    1=O)c3c2; Cc1cc(cc2c1n(nc2)C)C[C@@H]3C(=
    O)N(CCOCCOC/C=C/c4cc5c(nc4)NC(=O)[C@]56C
    c7ccc(cc7C6)C(=O)N3)C; Cc1cc(cc2c1n(nc2)
    C)CC3C(=O)N(CCOCCOCC=Cc4cc5c(nc4)NC(=O)C
    56Cc7ccc(cc7C6)C(=O)N3)C; CN1CCOCCOCC=Cc
    2cnc3NC(=O)[C]4(Cc5ccc(cc5C4)C(=O)N[CH](
    Cc6cc(C)c7n(C)ncc7c6)C1=O)c3c2    		 (1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione
    31158 OL1
    ZINC000039001797    		 2 C21 H24 N2 O3 InChI=1S/C21H24N2O3/c24-2
    1(25,14-8-2-1-4-10-17-11-
    5-3-6-12-17)20-23-16-19(2
    6-20)18-13-7-9-15-22-18/h
    3,5-7,9,11-13,15-16,24-25
    H,1-2,4,8,10,14H2;
    PUCSKUWLMPSADN-UHFFFAOYSA-N    		 OC(O)(CCCCCCc1ccccc1)c2oc(cn2)c3ccccn3;
    c1ccc(cc1)CCCCCCC(c2ncc(o2)c3ccccn3)(O)O
    ; n3c(c1oc(nc1)C(O)(O)CCCCCCc2ccccc2)ccc
    c3    		 7-phenyl-1-(5-pyridin-2-yl-1,3-oxazol-2-yl)heptane-1,1-diol
    31159 OL2
    CHEMBL1234980
    ZINC000058655521    		 1 C22 H23 N3 O6 InChI=1S/C22H23N3O6/c1-5-
    31-16-8-12(6-7-14(16)22(2
    6)27)19-21(23)24-11-15(25
    -19)13-9-17(28-2)20(30-4)
    18(10-13)29-3/h6-11H,5H2,
    1-4H3,(H2,23,24)(H,26,27);
    MVWFAKKKMGICFP-UHFFFAOYSA-N    		 CCOc1cc(ccc1C(O)=O)c2nc(cnc2N)c3cc(OC)c(
    OC)c(OC)c3; O=C(O)c1ccc(cc1OCC)c2nc(cnc2
    N)c3cc(OC)c(OC)c(OC)c3; CCOc1cc(ccc1C(=O
    )O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N    		 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-ethoxybenzoic acid
    31160 OL3 1 C35 H45 Co4 N7 O13 S InChI=1S/C13H21N3O4S.4C5H
    5N.C2H4O2.4Co.3H2O.4O/c17
    -10(14-6-5-11(18)19)4-2-1
    -3-9-12-8(7-21-9)15-13(20
    )16-12;4*1-2-4-6-5-3-1;1-
    2(3)4;;;;;;;;;;;/h8-9,11-
    12H,1-7H2,(H,14,17)(H2,15
    ,16,20);4*1-5H;2H,1H3;;;;
    ;3*1H2;;;;/q-2;;;;;-2;+1;
    3*+2;;;;;;;/p-3/t8-,9-,12
    -;;;;;;;;;;;;;;;;/m0.....
    .........../s1;
    JXTIQCHHLFQVFH-VNIQYHKJSA-K    		 O.O.O.CC1O[Co]2O[Co](O1)O[Co]3OC(CCNC(=O
    )CCCC[CH]4SC[CH]5NC(=O)N[CH]45)O[Co](O2)
    O3.c6ccncc6.c7ccncc7.c8ccncc8.c9ccncc9;
    O.O.O.CC1O[Co]2O[Co](O1)O[Co]3OC(CCNC(=O
    )CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)O[Co
    ](O2)O3.c6ccncc6.c7ccncc7.c8ccncc8.c9ccn
    cc9; CC1O[Co]23(O4[Co]5(O1)(O2[Co]67(O3[
    Co]4(O56)(OC(O7)CCNC(=O)CCCC[C@H]8[C@@H]
    9[C@H](CS8)NC(=O)N9)([N]1=CC=CC=C1)[O])(
    [N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[N]
    1=CC=CC=C1; CC1O[Co]23(O4[Co]5(O1)(O2[Co
    ]67(O3[Co]4(O56)(OC(O7)CCNC(=O)CCCCC8C9C
    (CS8)NC(=O)N9)([N]1=CC=CC=C1)[O])([N]1=C
    C=CC=C1)[O])([N]1=CC=CC=C1)[O])[N]1=CC=C
    C=C1    		 N-biotin-C-Co4(mu3-O)4(OAc)(Py)4(H2O)3-beta-alanine
    31161 OL4 1 C28 H36 Co4 N6 O12 S InChI=1S/C13H21N3O4S.3C5H
    5N.4Co.4H2O.4O/c17-10(14-
    6-5-11(18)19)4-2-1-3-9-12
    -8(7-21-9)15-13(20)16-12;
    3*1-2-4-6-5-3-1;;;;;;;;;;
    ;;/h8-9,11-12H,1-7H2,(H,1
    4,17)(H2,15,16,20);3*1-5H
    ;;;;;4*1H2;;;;/q-2;;;;2*+
    1;2*+2;;;;;;;;/p-4/t8-,9-
    ,12-;;;;;;;;;;;;;;;/m0...
    ............/s1;
    KOZIPRFAITWGFL-FSSUFVEMSA-J    		 C1C2C(C(S1)CCCCC(=O)NCCC3O[Co]45(O6[Co]7
    (O4[Co]8(O3)(O7[Co]6(O58)([N]9=CC=CC=C9)
    [O])([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O
    ])[O])NC(=O)N2; O.O.O.O.O=C(CCCC[C@@H]1S
    C[C@@H]2NC(=O)N[C@H]12)NCCC3O[Co]4O[Co]O
    [Co]O[Co](O3)O4.c5ccncc5.c6ccncc6.c7ccnc
    c7; C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NC
    CC3O[Co]45(O6[Co]7(O4[Co]8(O3)(O7[Co]6(O
    58)([N]9=CC=CC=C9)[O])([N]1=CC=CC=C1)[O]
    )([N]1=CC=CC=C1)[O])[O])NC(=O)N2; O.O.O.
    O.O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCC
    3O[Co]4O[Co]O[Co]O[Co](O3)O4.c5ccncc5.c6
    ccncc6.c7ccncc7    		 N-biotin-C-Co4(mu3-O)4(Py)3(H2O)4-beta-alanine
    31162 OL5 1 C30 H40 Co4 N6 O13 S InChI=1S/C13H21N3O4S.3C5H
    5N.C2H4O2.4Co.3H2O.4O/c17
    -10(14-6-5-11(18)19)4-2-1
    -3-9-12-8(7-21-9)15-13(20
    )16-12;3*1-2-4-6-5-3-1;1-
    2(3)4;;;;;;;;;;;/h8-9,11-
    12H,1-7H2,(H,14,17)(H2,15
    ,16,20);3*1-5H;2H,1H3;;;;
    ;3*1H2;;;;/q-2;;;;-2;+1;3
    *+2;;;;;;;/p-3/t8-,9-,12-
    ;;;;;;;;;;;;;;;/m0.......
    ......../s1;
    ZITWXEAVFQMEQP-FSSUFVEMSA-K    		 CC1O[Co]23(O4[Co]5(O1)(O2[Co]67(O3[Co]4(
    O56)(OC(O7)CCNC(=O)CCCCC8C9C(CS8)NC(=O)N
    9)([N]1=CC=CC=C1)[O])([N]1=CC=CC=C1)[O])
    [O])[N]1=CC=CC=C1; CC1O[Co]23(O4[Co]5(O1
    )(O2[Co]67(O3[Co]4(O56)(OC(O7)CCNC(=O)CC
    CC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)([N]1=
    CC=CC=C1)[O])([N]1=CC=CC=C1)[O])[O])[N]1
    =CC=CC=C1; O.O.O.CC1O[Co]2O[Co](O1)O[Co]
    3OC(CCNC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]4
    5)O[Co](O2)O3.c6ccncc6.c7ccncc7.c8ccncc8
    ; O.O.O.CC1O[Co]2O[Co](O1)O[Co]3OC(CCNC(
    =O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)O[
    Co](O2)O3.c6ccncc6.c7ccncc7.c8ccncc8    		 N-biotin-C-Co4(mu3-O)4(OAc)(Py)3(H2O)3-beta-alanine
    31163 OL6 4 C20 H22 N2 O6 S InChI=1S/C20H22N2O6S/c1-2
    0(2)16(19(26)27)22-17(29-
    20)15(18(24)25)21-14(23)1
    0-28-13-9-5-7-11-6-3-4-8-
    12(11)13/h3-9,15-17,22H,1
    0H2,1-2H3,(H,21,23)(H,24,
    25)(H,26,27)/t15-,16-,17+
    /m0/s1;
    UGGIHYYCRXQWCH-YESZJQIVSA-N    		 CC1(C(NC(S1)C(C(=O)O)NC(=O)COc2cccc3c2cc
    cc3)C(=O)O)C; CC1(C)S[C@@H](N[C@H]1C(O)=
    O)[C@H](NC(=O)COc2cccc3ccccc23)C(O)=O; C
    C1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)COc2c
    ccc3ccccc23)C(O)=O; CC1([C@@H](N[C@H](S1
    )[C@@H](C(=O)O)NC(=O)COc2cccc3c2cccc3)C(
    =O)O)C    		 (2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid
    31164 OL7 1 C42 H57 N7 O10 S InChI=1S/C42H57N7O10S/c1-
    25-37(45-32-21-28(57-3)17
    -18-30(32)43-25)59-29-22-
    33-35(50)47-42(39(53)48-6
    0(55,56)41(2)19-20-41)23-
    27(42)15-11-6-5-7-12-16-3
    1(38(52)49(33)24-29)44-36
    (51)34(46-40(54)58-4)26-1
    3-9-8-10-14-26/h11,15,17-
    18,21,26-27,29,31,33-34H,
    5-10,12-14,16,19-20,22-24
    H2,1-4H3,(H,44,51)(H,46,5
    4)(H,47,50)(H,48,53)/b15-
    11-/t27-,29-,31+,33+,34+,
    42-/m1/s1;
    VQGVGKGKOCWGDC-XBNKLCFMSA-N    		 Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O
    )N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4
    C3)NC(=O)[C@H](C6CCCCC6)NC(=O)OC)C(=O)NS
    (=O)(=O)C7(CC7)C; COC(=O)N[CH](C1CCCCC1)
    C(=O)N[CH]2CCCCCC=C[CH]3C[C]3(NC(=O)[CH]
    4C[CH](CN4C2=O)Oc5nc6cc(OC)ccc6nc5C)C(=O
    )N[S](=O)(=O)C7(C)CC7; COC(=O)N[C@@H](C1
    CCCCC1)C(=O)N[C@H]2CCCCC\C=C/[C@@H]3C[C@
    ]3(NC(=O)[C@@H]4C[C@H](CN4C2=O)Oc5nc6cc(
    OC)ccc6nc5C)C(=O)N[S](=O)(=O)C7(C)CC7; C
    6(N3C(CC(Oc2c(nc1c(cc(OC)cc1)n2)C)C3)C(N
    C5(C(NS(C4(C)CC4)(=O)=O)=O)C(C5)C=CCCCCC
    C6NC(C(NC(OC)=O)C7CCCCC7)=O)=O)=O; Cc1c(
    nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCC
    CCC(C(=O)N4C3)NC(=O)C(C6CCCCC6)NC(=O)OC)
    C(=O)NS(=O)(=O)C7(CC7)C    		 methyl [(1S)-1-cyclohexyl-2-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-2-oxoethyl]carbamate;
    P4-P5-6 (NR03-68)
    31165 OL8 1 C15 H10 N2 O4 InChI=1S/C15H10N2O4/c18-1
    3-6-7-14(19)17(13)11-4-1-
    3-10(9-11)16-15(20)12-5-2
    -8-21-12/h1-9H,(H,16,20);
    TWPCCROXKVASGR-UHFFFAOYSA-N    		 O=C(Nc1cccc(c1)N2C(=O)C=CC2=O)c3occc3; c
    1cc(cc(c1)N2C(=O)C=CC2=O)NC(=O)c3ccco3    		 ~{N}-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]furan-2-carboxamide
    31166 OL9 1 C21 H21 Cl F2 O4 S InChI=1S/C21H21ClF2O4S/c2
    2-15-2-5-17(6-3-15)29(27,
    28)21(18-13-16(23)4-7-19(
    18)24)11-9-14(10-12-21)1-
    8-20(25)26/h2-7,13-14H,1,
    8-12H2,(H,25,26)/t14-,21+;
    XCGJIFAKUZNNOR-QCKZDCLWSA-N    		 c1cc(ccc1S(=O)(=O)C2(CCC(CC2)CCC(=O)O)c3
    cc(ccc3F)F)Cl; OC(=O)CC[C@@H]1CC[C@](CC1
    )(c2cc(F)ccc2F)[S](=O)(=O)c3ccc(Cl)cc3;
    OC(=O)CC[CH]1CC[C](CC1)(c2cc(F)ccc2F)[S]
    (=O)(=O)c3ccc(Cl)cc3    		 3-[4-[2,5-bis(fluoranyl)phenyl]-4-(4-chlorophenyl)sulfonyl-cyclohexyl]propanoic acid;
    MK-0752
    31167 OLA
    CHEMBL8659
    ZINC000006845860    		 42 C18 H34 O2 InChI=1S/C18H34O2/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-17-18(19)20/h9-10
    H,2-8,11-17H2,1H3,(H,19,2
    0)/b10-9-;
    ZQPPMHVWECSIRJ-KTKRTIGZSA-N    		 O=C(O)CCCCCCC\C=C/CCCCCCCC; CCCCCCCCC=CC
    CCCCCCC(O)=O; CCCCCCCC\C=C/CCCCCCCC(O)=O
    ; CCCCCCCCC=CCCCCCCCC(=O)O; CCCCCCCC\C=C
    /CCCCCCCC(=O)O    		 OLEIC ACID
    31168 OLB
    ZINC000032840901    		 0 C21 H40 O4 InChI=1S/C21H40O4/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-17-21(24)25-19-20
    (23)18-22/h9-10,20,22-23H
    ,2-8,11-19H2,1H3/b10-9-/t
    20-/m0/s1;
    RZRNAYUHWVFMIP-QJRAZLAKSA-N    		 CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)O; O
    =C(OCC(O)CO)CCCCCCC\C=C/CCCCCCCC; CCCCCC
    CCC=CCCCCCCCC(=O)OC[CH](O)CO; CCCCCCCCC=
    CCCCCCCCC(=O)OCC(CO)O; CCCCCCCC\C=C/CCCC
    CCCC(=O)OC[C@@H](O)CO    		 (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
    31169 OLC
    ZINC000032840903    		 0 C21 H40 O4 InChI=1S/C21H40O4/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-17-21(24)25-19-20
    (23)18-22/h9-10,20,22-23H
    ,2-8,11-19H2,1H3/b10-9-/t
    20-/m1/s1;
    RZRNAYUHWVFMIP-GDCKJWNLSA-N    		 O=C(OCC(O)CO)CCCCCCC\C=C/CCCCCCCC; CCCCC
    CCC\C=C/CCCCCCCC(=O)OC[C@@H](CO)O; CCCCC
    CCCC=CCCCCCCCC(=O)OC[CH](O)CO; CCCCCCCCC
    =CCCCCCCCC(=O)OCC(CO)O; CCCCCCCC\C=C/CCC
    CCCCC(=O)OC[C@H](O)CO    		 (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate;
    1-Oleoyl-R-glycerol
    31170 OLD
    ZINC000098209265    		 0 C14 H14 Br N3 O3 InChI=1S/C14H14BrN3O3/c15
    -10-3-1-9(2-4-10)13(19)7-
    18-8-17-6-11(18)5-12(16)1
    4(20)21/h1-4,6,8,12H,5,7,
    16H2,(H,20,21)/t12-/m0/s1;
    QGUBYQXILROAQX-LBPRGKRZSA-N    		 c1cc(ccc1C(=O)Cn2cncc2C[C@@H](C(=O)O)N)B
    r; c1cc(ccc1C(=O)Cn2cncc2CC(C(=O)O)N)Br;
    O=C(c1ccc(Br)cc1)Cn2c(cnc2)CC(C(=O)O)N;
    N[C@@H](Cc1cncn1CC(=O)c2ccc(Br)cc2)C(O)
    =O; N[CH](Cc1cncn1CC(=O)c2ccc(Br)cc2)C(O
    )=O    		 3-[2-(4-bromophenyl)-2-oxoethyl]-L-histidine
    31171 OLE 0 C6 H12 O3 InChI=1/C6H12O3/c1-4(2)3-
    5(7)6(8)9/h4-5,7H,3H2,1-2
    H3,(H,8,9)/t5-/m0/s1/f/h8
    H;
    LVRFTAZAXQPQHI-ZEYBBFMUDP    		 CC(C)C[CH](O)C(O)=O; CC(C)CC(C(=O)O)O; C
    C(C)C[C@H](O)C(O)=O; O=C(O)C(O)CC(C)C; C
    C(C)C[C@@H](C(=O)O)O    		 2-HYDROXY-4-METHYL-PENTANOIC ACID
    31172 OLF
    CHEMBL1615150
    ZINC000064744159    		 2 C29 H26 Cl F2 N3 O3 InChI=1S/C29H26ClF2N3O3/c
    1-16-13-19(29(37)38)9-12-
    23(16)34-28(36)26(17-5-3-
    2-4-6-17)35-25-15-22(32)2
    1(31)14-24(25)33-27(35)18
    -7-10-20(30)11-8-18/h7-15
    ,17,26H,2-6H2,1H3,(H,34,3
    6)(H,37,38)/t26-/m0/s1;
    XAVJTYOBWCSWFJ-SANMLTNESA-N    		 Cc1cc(ccc1NC(=O)[C@H](C2CCCCC2)n3c4cc(F)
    c(F)cc4nc3c5ccc(Cl)cc5)C(O)=O; O=C(O)c1c
    cc(c(c1)C)NC(=O)C(n3c4cc(F)c(F)cc4nc3c2c
    cc(Cl)cc2)C5CCCCC5; Cc1cc(ccc1NC(=O)C(C2
    CCCCC2)n3c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F)C
    (=O)O; Cc1cc(ccc1NC(=O)[C@H](C2CCCCC2)n3
    c4cc(c(cc4nc3c5ccc(cc5)Cl)F)F)C(=O)O; Cc
    1cc(ccc1NC(=O)[CH](C2CCCCC2)n3c4cc(F)c(F
    )cc4nc3c5ccc(Cl)cc5)C(O)=O    		 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid
    31173 OLI 0 C18 H34 O2 InChI=1/C18H34O2/c1-2-3-4
    -5-6-7-8-9-10-11-12-13-14
    -15-16-17-18(19)20/h9-10H
    ,2-8,11-17H2,1H3,(H,19,20
    )/b10-9-/f/h19H;
    ZQPPMHVWECSIRJ-LWWBXSLRDG    		 O=C(O)CCCCCCC\C=C/CCCCCCCC; CCCCCCCCC=CC
    CCCCCCC(O)=O; CCCCCCCC\C=C/CCCCCCCC(O)=O
    ; CCCCCCCCC=CCCCCCCCC(=O)O; CCCCCCCC\C=C
    /CCCCCCCC(=O)O    		 OLEIC ACID
    31174 OLJ 1 C39 H50 N6 O9 S InChI=1S/C39H50N6O9S/c1-2
    2-34(41-31-18-26(52-3)11-
    12-29(31)40-22)53-28-19-3
    2-33(46)43-39(36(48)44-55
    (50,51)38(2)13-14-38)20-2
    5(39)9-7-5-4-6-8-10-30(35
    (47)45(32)21-28)42-37(49)
    54-27-16-23-15-24(23)17-2
    7/h7,9,11-12,18,23-25,27-
    28,30,32H,4-6,8,10,13-17,
    19-21H2,1-3H3,(H,42,49)(H
    ,43,46)(H,44,48)/b9-7-/t2
    3-,24+,25-,27+,28-,30+,32
    +,39-/m1/s1;
    MKIVCMAHUCRSFE-BGDMHFRTSA-N    		 COc1ccc2nc(C)c(O[C@@H]3C[C@@H]4N(C3)C(=O
    )[C@H](CCCCC\C=C/[C@@H]5C[C@]5(NC4=O)C(=
    O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC7C[C@H]8C
    [C@H]8C7)nc2c1; Cc1c(nc2cc(ccc2n1)OC)O[C
    @@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCC
    CC[C@@H](C(=O)N4C3)NC(=O)OC6C[C@H]7C[C@H
    ]7C6)C(=O)NS(=O)(=O)C8(CC8)C; COc1ccc2nc
    (C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C
    [CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)C
    C6)NC(=O)OC7C[CH]8C[CH]8C7)nc2c1; C5(N1C
    (CC(C1)Oc3nc2c(ccc(c2)OC)nc3C)C(=O)NC8(C
    (NS(C4(CC4)C)(=O)=O)=O)C(C=CCCCCCC5NC(=O
    )OC6CC7C(C6)C7)C8)=O; Cc1c(nc2cc(ccc2n1)
    OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3
    )NC(=O)OC6CC7CC7C6)C(=O)NS(=O)(=O)C8(CC8
    )C    		 (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate;
    P4-7 (NR03-77)
    31175 OLM
    CHEMBL1516
    DB00275
    ZINC000000538621    		 1 C24 H26 N6 O3 InChI=1S/C24H26N6O3/c1-4-
    7-19-25-21(24(2,3)33)20(2
    3(31)32)30(19)14-15-10-12
    -16(13-11-15)17-8-5-6-9-1
    8(17)22-26-28-29-27-22/h5
    -6,8-13,33H,4,7,14H2,1-3H
    3,(H,31,32)(H,26,27,28,29
    );
    VTRAEEWXHOVJFV-UHFFFAOYSA-N    		 CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn
    4)C(O)=O)C(C)(C)O; CCCc1nc(c(n1Cc2ccc(cc
    2)c3ccccc3c4[nH]nnn4)C(=O)O)C(C)(C)O; c1
    c(ccc(c1)Cn2c(CCC)nc(C(O)(C)C)c2C(O)=O)c
    3ccccc3c4nnnn4    		 Olmesartan
    31176 OLN
    DB02368
    ZINC000012494450    		 1 C8 H15 N3 O4 InChI=1S/C8H15N3O4/c1-5(1
    2)11-6(7(13)14)3-2-4-10-8
    (9)15/h6H,2-4H2,1H3,(H,11
    ,12)(H,13,14)(H3,9,10,15)
    /t6-/m0/s1;
    WMQMIOYQXNRROC-LURJTMIESA-N    		 CC(=O)NC(CCCNC(=O)N)C(=O)O; O=C(O)C(NC(=
    O)C)CCCNC(=O)N; CC(=O)N[CH](CCCNC(N)=O)C
    (O)=O; CC(=O)N[C@@H](CCCNC(N)=O)C(O)=O;
    CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O    		 (S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACID;
    N-ACETYL-L-CITRULLINE
    31177 OLO
    CHEMBL280074
    DB02116
    ZINC000001641925    		 2 C15 H18 N6 O InChI=1S/C15H18N6O/c1-21-
    10-18-12-13(17-9-11-5-3-2
    -4-6-11)19-15(16-7-8-22)2
    0-14(12)21/h2-6,10,22H,7-
    9H2,1H3,(H2,16,17,19,20);
    GTVPOLSIJWJJNY-UHFFFAOYSA-N    		 n2c1c(ncn1C)c(nc2NCCO)NCc3ccccc3; Cn1cnc
    2c(NCc3ccccc3)nc(NCCO)nc12; Cn1cnc2c1nc(
    nc2NCc3ccccc3)NCCO    		 OLOMOUCINE
    31178 OLP
    CHEMBL311228
    DB08325
    ZINC000002391782    		 7 C16 H19 Cl N6 O InChI=1S/C16H19ClN6O/c1-1
    0(2)23-9-19-13-14(20-12-5
    -3-4-11(17)8-12)21-16(18-
    6-7-24)22-15(13)23/h3-5,8
    -10,24H,6-7H2,1-2H3,(H2,1
    8,20,21,22);
    XZEFMZCNXDQXOZ-UHFFFAOYSA-N    		 CC(C)n1cnc2c1NC(=NC2=Nc3cccc(c3)Cl)NCCO;
    CC(C)n1cnc2c1NC(=NC2=Nc3cccc(Cl)c3)NCCO
    ; Clc3cccc(/N=C2\N=C(Nc1c2ncn1C(C)C)NCCO
    )c3; CC(C)n1cnc\2c1NC(=N/C2=N\c3cccc(c3)
    Cl)NCCO    		 2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE
    31179 OLQ
    CHEMBL453452
    ZINC000002527823    		 1 C8 H7 F2 N O2 InChI=1S/C8H7F2NO2/c1-13-
    5-3-2-4(9)6(7(5)10)8(11)1
    2/h2-3H,1H3,(H2,11,12);
    JWQAQJXFEPQZIV-UHFFFAOYSA-N    		 COc1ccc(c(c1F)C(=O)N)F; COc1ccc(F)c(C(N)
    =O)c1F    		 2,6-difluoro-3-methoxybenzamide;
    2,6-bis(fluoranyl)-3-methoxy-benzamide
    31180 OLR
    CHEMBL3823394
    ZINC000217727990    		 4 C19 H18 N4 O3 S InChI=1S/C19H18N4O3S/c1-1
    2(13-2-4-16-17(10-13)27-1
    9(25)21-16)15-6-7-23(22-1
    5)18-5-3-14(11-20-18)26-9
    -8-24/h2-7,10-12,24H,8-9H
    2,1H3,(H,21,25)/t12-/m0/s
    1;
    HLTKOFPQDKJCAN-LBPRGKRZSA-N    		 C[C@@H](c1ccc2c(c1)SC(=O)N2)c3ccn(n3)c4c
    cc(cn4)OCCO; C[C@@H](c1ccc2NC(=O)Sc2c1)c
    3ccn(n3)c4ccc(OCCO)cn4; C[CH](c1ccc2NC(=
    O)Sc2c1)c3ccn(n3)c4ccc(OCCO)cn4; CC(c1cc
    c2c(c1)SC(=O)N2)c3ccn(n3)c4ccc(cn4)OCCO    		 6-[(1~{S})-1-[1-[5-(2-hydroxyethyloxy)pyridin-2-yl]pyrazol-3-yl]ethyl]-3~{H}-1,3-benzothiazol-2-one
    31181 OLS 1 C33 H41 Co4 N7 O12 S InChI=1S/C13H21N3O4S.4C5H
    5N.4Co.4H2O.4O/c17-10(14-
    6-5-11(18)19)4-2-1-3-9-12
    -8(7-21-9)15-13(20)16-12;
    4*1-2-4-6-5-3-1;;;;;;;;;;
    ;;/h8-9,11-12H,1-7H2,(H,1
    4,17)(H2,15,16,20);4*1-5H
    ;;;;;4*1H2;;;;/q-2;;;;;;3
    *+2;;;;;;;;/p-4/t8-,9-,12
    -;;;;;;;;;;;;;;;;/m0.....
    .........../s1;
    NCRQDMYNPQXLIW-VNIQYHKJSA-J    		 C1C2C(C(S1)CCCCC(=O)NCCC3O[Co]45(O6[Co]7
    (O4[Co]8(O3)(O7[Co]6(O58)([N]9=CC=CC=C9)
    ([O])[O])([N]1=CC=CC=C1)[O])[N]1=CC=CC=C
    1)([N]1=CC=CC=C1)[O])NC(=O)N2; O.O.O.O.O
    =C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCC3O[
    Co]4O[Co]O[Co]O[Co](O3)O4.c5ccncc5.c6ccn
    cc6.c7ccncc7.c8ccncc8; C1[C@H]2[C@@H]([C
    @@H](S1)CCCCC(=O)NCCC3O[Co]45(O6[Co]7(O4
    [Co]8(O3)(O7[Co]6(O58)([N]9=CC=CC=C9)([O
    ])[O])([N]1=CC=CC=C1)[O])[N]1=CC=CC=C1)(
    [N]1=CC=CC=C1)[O])NC(=O)N2; O.O.O.O.O=C(
    CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCC3
    O[Co]4O[Co]O[Co]O[Co](O3)O4.c5ccncc5.c6c
    cncc6.c7ccncc7.c8ccncc8    		 N-biotin-C-Co4(mu3-O)4(Py)4(H2O)4-beta-alanine
    31182 OLT
    CHEMBL1234983
    ZINC000001700276    		 0 C5 H11 N O3 InChI=1S/C5H11NO3/c1-3(9-
    2)4(6)5(7)8/h3-4H,6H2,1-2
    H3,(H,7,8)/t3-,4+/m1/s1;
    FYCWLJLGIAUCCL-DMTCNVIQSA-N    		 CO[CH](C)[CH](N)C(O)=O; O=C(O)C(N)C(OC)C
    ; C[C@H]([C@@H](C(=O)O)N)OC; CC(C(C(=O)O
    )N)OC; CO[C@H](C)[C@H](N)C(O)=O    		 O-METHYL-L-THREONINE
    31183 OLU
    DB08326    		 1 C10 H6 N2 O2 S2 InChI=1S/C10H6N2O2S2/c13-
    5-1-2-6-7(3-5)16-10(11-6)
    9-12-8(14)4-15-9/h1-3,13H
    ,4H2;
    JJVOROULKOMTKG-UHFFFAOYSA-N    		 c1cc2c(cc1O)sc(n2)C3=NC(=O)CS3; Oc1ccc2n
    c(sc2c1)C3=NC(=O)CS3; O=C1N=C(SC1)c2sc3c
    (n2)ccc(O)c3    		 2-(6-HYDROXY-1,3-BENZOTHIAZOL-2-YL)-1,3-THIAZOL-4(5H)-ONE;
    OXYLUCIFERIN
    31184 OLV 1 C39 H52 N6 O9 S InChI=1S/C39H52N6O9S/c1-2
    4-34(41-31-20-27(52-3)16-
    17-29(31)40-24)53-28-21-3
    2-33(46)43-39(36(48)44-55
    (50,51)38(2)18-19-38)22-2
    5(39)12-8-5-4-6-11-15-30(
    35(47)45(32)23-28)42-37(4
    9)54-26-13-9-7-10-14-26/h
    8,12,16-17,20,25-26,28,30
    ,32H,4-7,9-11,13-15,18-19
    ,21-23H2,1-3H3,(H,42,49)(
    H,43,46)(H,44,48)/b12-8-/
    t25-,28-,30+,32+,39-/m1/s
    1;
    KEEDIVMPHGFNOV-RESPDZEUSA-N    		 COc1ccc2nc(C)c(O[C@@H]3C[C@@H]4N(C3)C(=O
    )[C@H](CCCCC\C=C/[C@@H]5C[C@]5(NC4=O)C(=
    O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC7CCCCC7)n
    c2c1; Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H
    ]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C
    (=O)N4C3)NC(=O)OC6CCCCC6)C(=O)NS(=O)(=O)
    C7(CC7)C; Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=
    O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6CC
    CCC6)C(=O)NS(=O)(=O)C7(CC7)C; COc1ccc2nc
    (C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C
    [CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)C
    C6)NC(=O)OC7CCCCC7)nc2c1; C5(N1C(CC(C1)O
    c3nc2c(ccc(c2)OC)nc3C)C(=O)NC7(C(NS(C4(C
    C4)C)(=O)=O)=O)C(C=CCCCCCC5NC(=O)OC6CCCC
    C6)C7)=O    		 cyclohexyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate;
    P4-6 (NR03-67)
    31185 OLW
    CHEMBL3547101
    ZINC000263620828    		 6 C17 H16 N6 InChI=1S/C17H16N6/c18-11-
    14-2-1-3-15(10-14)12-19-6
    -4-16-5-7-21-17(22-16)23-
    9-8-20-13-23/h1-3,5,7-10,
    13,19H,4,6,12H2;
    ODSRQJVZWSSZFG-UHFFFAOYSA-N    		 c1cc(cc(c1)C#N)CNCCc2ccnc(n2)n3ccnc3; N#
    Cc1cccc(CNCCc2ccnc(n2)n3ccnc3)c1; N#Cc1c
    ccc(c1)CNCCc2nc(ncc2)n3ccnc3    		 3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile;
    2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-(3-cyanobenzyl)ethan-1-amine
    31186 OLX 1 C12 H13 N O4 InChI=1S/C12H13NO4/c1-2-7
    -3-4-9-8(5-7)11(16)12(17)
    13(9)6-10(14)15/h3-5,11,1
    6H,2,6H2,1H3,(H,14,15)/t1
    1-/m1/s1;
    MDMQYMUHXMGVBC-LLVKDONJSA-N    		 CCc1ccc2N(CC(O)=O)C(=O)[C@H](O)c2c1; O=C
    (O)CN1c2ccc(cc2C(O)C1=O)CC; CCc1ccc2N(CC
    (O)=O)C(=O)[CH](O)c2c1; CCc1ccc2c(c1)C(C
    (=O)N2CC(=O)O)O; CCc1ccc2c(c1)[C@H](C(=O
    )N2CC(=O)O)O    		 [(3R)-5-ethyl-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid
    31187 OLY 1 C40 H55 N7 O10 S InChI=1S/C40H55N7O10S/c1-
    24-33(42-30-20-26(55-3)14
    -15-28(30)41-24)57-27-21-
    31-32(48)44-40(36(51)46-5
    8(53,54)38(2)18-19-38)22-
    25(40)12-8-6-5-7-9-13-29(
    34(49)47(31)23-27)43-35(5
    0)39(16-10-11-17-39)45-37
    (52)56-4/h8,12,14,25,27,2
    9,31H,5-7,9-11,13,15-23H2
    ,1-4H3,(H,43,50)(H,44,48)
    (H,45,52)(H,46,51)/b12-8-
    /t25-,27-,29+,31+,40-/m1/
    s1;
    JHVLSCWOJLKPBO-YUQLSXBWSA-N    		 Cc1c(nc2c(n1)CC=C(C2)OC)OC3CC4C(=O)NC5(C
    C5C=CCCCCCC(C(=O)N4C3)NC(=O)C6(CCCC6)NC(
    =O)OC)C(=O)NS(=O)(=O)C7(CC7)C; Cc1c(nc2c
    (n1)CC=C(C2)OC)O[C@@H]3C[C@H]4C(=O)N[C@@
    ]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(
    =O)C6(CCCC6)NC(=O)OC)C(=O)NS(=O)(=O)C7(C
    C7)C; COC(=O)NC1(CCCC1)C(=O)N[CH]2CCCCCC
    =C[CH]3C[C]3(NC(=O)[CH]4C[CH](CN4C2=O)Oc
    5nc6CC(=CCc6nc5C)OC)C(=O)N[S](=O)(=O)C7(
    C)CC7; COC(=O)NC1(CCCC1)C(=O)N[C@H]2CCCC
    C\C=C/[C@@H]3C[C@]3(NC(=O)[C@@H]4C[C@H](
    CN4C2=O)Oc5nc6CC(=CCc6nc5C)OC)C(=O)N[S](
    =O)(=O)C7(C)CC7; C1(C(CCCCCC=CC6C(NC(C2N
    1CC(C2)Oc3c(C)nc4c(n3)CC(OC)=CC4)=O)(C(N
    S(C5(CC5)C)(=O)=O)=O)C6)NC(=O)C7(NC(=O)O
    C)CCCC7)=O    		 methyl (1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methyl-5,8-dihydroquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamoyl}cyclopentyl)carbamate;
    P4-P5-5 (WK-25)
    31188 OLZ
    CHEMBL1234985
    ZINC000001544494    		 0 C5 H12 N2 O3 InChI=1S/C5H12N2O3/c6-1-2
    -10-3-4(7)5(8)9/h4H,1-3,6
    -7H2,(H,8,9)/t4-/m0/s1;
    SLTGLTLBIVDQKE-BYPYZUCNSA-N    		 NCCOC[C@H](N)C(O)=O; O=C(O)C(N)COCCN; C(
    COCC(C(=O)O)N)N; C(COC[C@@H](C(=O)O)N)N;
    NCCOC[CH](N)C(O)=O    		 O-(2-aminoethyl)-L-serine
    31189 OM0 2 C7 H11 Br O5 InChI=1S/C7H11BrO5/c8-3-2
    (1-9)4(10)6(12)7(13)5(3)1
    1/h4-7,9-13H,1H2/t4-,5+,6
    +,7+/m1/s1;
    FJUNXCSYOUCSRK-BWBBJGPYSA-N    		 OCC1=C(Br)[CH](O)[CH](O)[CH](O)[CH]1O; C
    (C1=C([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O
    )Br)O; OCC1=C(Br)[C@H](O)[C@H](O)[C@@H](
    O)[C@@H]1O; C(C1=C(C(C(C(C1O)O)O)O)Br)O;
    OC1C(CO)=C(Br)C(O)C(O)C1O    		 (1R,2S,3R,4R)-5-bromo-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol;
    C5a-bromo-valienide
    31190 OM1 8 C25 H25 N2 O6 InChI=1S/C25H24N2O6/c1-31
    -19-9-6-16(7-10-19)12-27-
    24(28)20-5-3-2-4-17(20)13
    -26-14-18-8-11-21-23(33-1
    5-32-21)22(18)25(29)30/h2
    -11,26H,12-15H2,1H3,(H,27
    ,28)(H,29,30)/p+1;
    KFDRXOMFDTWNBI-UHFFFAOYSA-O    		 COc1ccc(cc1)CNC(=O)c2ccccc2C[NH2+]Cc3ccc
    4c(c3C(=O)O)OCO4; COc1ccc(CNC(=O)c2ccccc
    2C[NH2+]Cc3ccc4OCOc4c3C(O)=O)cc1; O=C(NC
    c1ccc(OC)cc1)c2ccccc2C[NH2+]Cc3ccc4OCOc4
    c3C(=O)O    		 (4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-[(4-METHOXYPHENYL)METHYLCARBAMOYL]PHENYL]METHYL]AZANIUM
    31191 OM2 4 C22 H27 N2 O5 InChI=1S/C22H26N2O5/c1-4-
    14(2)23-21(25)17-8-6-5-7-
    15(17)11-24(3)12-16-9-10-
    18-20(29-13-28-18)19(16)2
    2(26)27/h5-10,14H,4,11-13
    H2,1-3H3,(H,23,25)(H,26,2
    7)/p+1/t14-/m0/s1;
    LEXXIHURLIJXII-AWEZNQCLSA-O    		 CC[C@H](C)NC(=O)c1ccccc1C[NH+](C)Cc2ccc3
    OCOc3c2C(O)=O; CC[CH](C)NC(=O)c1ccccc1C[
    NH+](C)Cc2ccc3OCOc3c2C(O)=O; CC[C@H](C)N
    C(=O)c1ccccc1C[NH+](C)Cc2ccc3c(c2C(=O)O)
    OCO3; CCC(C)NC(=O)c1ccccc1C[NH+](C)Cc2cc
    c3c(c2C(=O)O)OCO3    		 (R)-[2-[[(2S)-BUTAN-2-YL]CARBAMOYL]PHENYL]METHYL-[(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL]-METHYL-AZANIUM
    31192 OM3 7 C25 H31 N2 O5 InChI=1S/C25H30N2O5/c1-27
    (15-19-11-12-21-23(32-16-
    31-21)22(19)25(29)30)14-1
    8-9-5-6-10-20(18)24(28)26
    -13-17-7-3-2-4-8-17/h5-6,
    9-12,17H,2-4,7-8,13-16H2,
    1H3,(H,26,28)(H,29,30)/p+
    1;
    STKSSLWZOAVRQS-UHFFFAOYSA-O    		 C[NH+](Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c
    (c3C(=O)O)OCO4; C[NH+](Cc1ccccc1C(=O)NCC
    2CCCCC2)Cc3ccc4OCOc4c3C(O)=O    		 (R)-(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-(CYCLOHEXYLMETHYLCARBAMOYL)PHENYL]METHYL]-METHYL-AZANIUM
    31193 OM4 1 C13 H9 Cl3 O InChI=1S/C13H9Cl3O/c1-17-
    13-5-3-9(7-12(13)16)8-2-4
    -10(14)11(15)6-8/h2-7H,1H
    3;
    HEPYVKVRVSITAU-UHFFFAOYSA-N    		 COc1ccc(cc1Cl)c2ccc(Cl)c(Cl)c2; COc1ccc(
    cc1Cl)c2ccc(c(c2)Cl)Cl    		 1,2-bis(chloranyl)-4-(3-chloranyl-4-methoxy-phenyl)benzene
    31194 OM6 1 C14 H16 O3 InChI=1S/C14H16O3/c15-10-
    6-7-11-12(8-10)17-14(13(1
    1)16)9-4-2-1-3-5-9/h6-9,1
    4-15H,1-5H2/t14-/m0/s1;
    WHONYTGAUPIIAI-AWEZNQCLSA-N    		 Oc1ccc2C(=O)[CH](Oc2c1)C3CCCCC3; Oc1ccc2
    c(c1)OC(C2=O)C1CCCCC1; c1cc2c(cc1O)O[C@@
    H](C2=O)C3CCCCC3; c1cc2c(cc1O)OC(C2=O)C3
    CCCCC3; Oc1ccc2C(=O)[C@H](Oc2c1)C3CCCCC3    		 (2S)-2-cyclohexyl-6-hydroxy-1-benzofuran-3(2H)-one
    31195 OM7 1 C40 H55 N7 O9 S InChI=1S/C40H55N7O9S/c1-7
    -23(2)33(42-25(4)48)35(50
    )43-30-14-12-10-8-9-11-13
    -26-21-40(26,38(52)46-57(
    53,54)39(5)17-18-39)45-34
    (49)32-20-28(22-47(32)37(
    30)51)56-36-24(3)41-29-16
    -15-27(55-6)19-31(29)44-3
    6/h11,13,15-16,19,23,26,2
    8,30,32-33H,7-10,12,14,17
    -18,20-22H2,1-6H3,(H,42,4
    8)(H,43,50)(H,45,49)(H,46
    ,52)/b13-11-/t23-,26+,28+
    ,30-,32-,33-,40+/m0/s1;
    YXHBAPZQSVEYEM-OGCRZQBGSA-N    		 CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CCCC
    C\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](
    CN3C1=O)Oc4nc5cc(OC)ccc5nc4C)C(=O)N[S](=
    O)(=O)C6(C)CC6; CCC(C)C(C(=O)NC1CCCCCC=C
    C2CC2(NC(=O)C3CC(CN3C1=O)Oc4c(nc5ccc(cc5
    n4)OC)C)C(=O)NS(=O)(=O)C6(CC6)C)NC(=O)C;
    CC[C@H](C)[C@@H](C(=O)N[C@H]1CCCCC/C=C\
    [C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=
    O)Oc4c(nc5ccc(cc5n4)OC)C)C(=O)NS(=O)(=O)
    C6(CC6)C)NC(=O)C; CC[CH](C)[CH](NC(C)=O)
    C(=O)N[CH]1CCCCCC=C[CH]2C[C]2(NC(=O)[CH]
    3C[CH](CN3C1=O)Oc4nc5cc(OC)ccc5nc4C)C(=O
    )N[S](=O)(=O)C6(C)CC6; C6(N3C(CC(Oc2c(nc
    1c(cc(OC)cc1)n2)C)C3)C(NC5(C(NS(C4(C)CC4
    )(=O)=O)=O)C(C5)C=CCCCCCC6NC(C(NC(C)=O)C
    (CC)C)=O)=O)=O    		 (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-L-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methylcyclo propyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacycl opentadecine-14a(5H)-carboxamide;
    P4-P5-4 (AJ-65)
    31196 OM8
    CHEMBL5092442    		 1 C14 H10 Cl F2 N O2 InChI=1S/C14H10ClF2NO2/c1
    5-9-3-1-2-8(6-9)7-20-11-5
    -4-10(16)12(13(11)17)14(1
    8)19/h1-6H,7H2,(H2,18,19);
    QPJFTLSXPCJEKL-UHFFFAOYSA-N    		 c1cc(cc(c1)Cl)COc2ccc(c(c2F)C(=O)N)F; NC
    (=O)c1c(F)ccc(OCc2cccc(Cl)c2)c1F    		 3-[(3-chlorophenyl)methoxy]-2,6-bis(fluoranyl)benzamide
    31197 OMA
    ZINC000230457724    		 2 C19 H34 O2 InChI=1S/C19H34O2/c1-2-3-
    4-10-13-17-16-18(17)14-11
    -8-6-5-7-9-12-15-19(20)21
    /h4,10,17-18H,2-3,5-9,11-
    16H2,1H3,(H,20,21)/b10-4+
    /t17-,18+/m0/s1;
    MGOIQHKBDDJUJK-XVSUHRFUSA-N    		 CCC/C=C/C[C@H]1C[C@H]1CCCCCCCCCC(=O)O; O
    =C(O)CCCCCCCCCC1CC1C/C=C/CCC; CCCC=CCC1C
    C1CCCCCCCCCC(=O)O; CCCC=CC[CH]1C[CH]1CCC
    CCCCCCC(O)=O; CCC/C=C/C[C@H]1C[C@H]1CCCC
    CCCCCC(O)=O    		 10-{(1R,2R)-2-[(2E)-hex-2-en-1-yl]cyclopropyl}decanoic acid
    31198 OMB 0 C H2 O InChI=1/CH4O/c1-2/h2H,1H3;
    OKKJLVBELUTLKV-UHFFFAOYAX    		 [CH2][O]; OC OXYMETHYLENE BRIDGING GROUP
    31199 OMC 0 C10 H16 N3 O8 P InChI=1S/C10H16N3O8P/c1-1
    9-8-7(14)5(4-20-22(16,17)
    18)21-9(8)13-3-2-6(11)12-
    10(13)15/h2-3,5,7-9,14H,4
    H2,1H3,(H2,11,12,15)(H2,1
    6,17,18)/t5-,7-,8-,9-/m1/
    s1;
    USRXKJOTSNCJMA-ZOQUXTDFSA-N    		 COC1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
    ; CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=N
    C2=O)N)COP(=O)(O)O)O; CO[C@@H]1[C@H](O)[
    C@@H](CO[P](O)(O)=O)O[C@H]1N2C=CC(=NC2=O
    )N; CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[C
    H]1N2C=CC(=NC2=O)N; O=C1N=C(N)C=CN1C2OC(
    C(O)C2OC)COP(=O)(O)O    		 O2'-METHYLYCYTIDINE-5'-MONOPHOSPHATE
    31200 OMD
    DB08327
    ZINC000000388428    		 21 C8 H8 O4 InChI=1S/C8H8O4/c9-6-1-2-
    7(10)5(3-6)4-8(11)12/h1-3
    ,9-10H,4H2,(H,11,12);
    IGMNYECMUMZDDF-UHFFFAOYSA-N    		 c1cc(c(cc1O)CC(=O)O)O; OC(=O)Cc1cc(O)ccc
    1O; O=C(O)Cc1cc(O)ccc1O    		 2-(3,6-DIHYDROXYPHENYL)ACETIC ACID;
    HOMOGENTISIC ACID
    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).
  • 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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