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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
    49001 Z5L
    ZINC000083291225    		 14 C7 H14 O5 S InChI=1S/C7H14O5S/c1-11-7
    -6(13)5(10)4(9)3(2-8)12-7
    /h3-10,13H,2H2,1H3/t3-,4-
    ,5+,6+,7+/m1/s1;
    VHSKYAXEXJLKPC-VEIUFWFVSA-N    		 CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)
    O)O)S; CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](
    O)[C@@H]1S; CO[CH]1O[CH](CO)[CH](O)[CH](
    O)[CH]1S; SC1C(O)C(O)C(OC1OC)CO; COC1C(C
    (C(C(O1)CO)O)O)S    		 methyl 2-thio-alpha-D-mannopyranoside
    49002 Z5P
    CHEMBL4525447
    ZINC000002506148    		 4 C10 H11 N3 InChI=1S/C10H11N3/c11-8-9
    -4-1-2-5-10(9)13-7-3-6-12
    -13/h1-7H,8,11H2;
    SJMJUZRSTJBVPG-UHFFFAOYSA-N    		 n1cccn1c2c(cccc2)CN; c1ccc(c(c1)CN)n2ccc
    n2; NCc1ccccc1n2cccn2    		 1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
    49003 Z5X 1 C20 H16 F7 N3 O3 InChI=1S/C20H16F7N3O3/c1-
    28-7-8-30(17(28)31)15-10-
    11(19(22,23)24)9-14(20(25
    ,26)27)16(15)33-18(32)29(
    2)13-5-3-12(21)4-6-13/h3-
    6,9-10H,7-8H2,1-2H3;
    OMLNQKKHSWHSNR-UHFFFAOYSA-N    		 CN1CCN(C1=O)c2cc(cc(c2OC(=O)N(C)c3ccc(cc
    3)F)C(F)(F)F)C(F)(F)F; CN1CCN(C1=O)c2cc(
    cc(c2OC(=O)N(C)c3ccc(F)cc3)C(F)(F)F)C(F)
    (F)F; CN1CCN(c2cc(cc(c2OC(=O)N(C)c2ccc(F
    )cc2)C(F)(F)F)C(F)(F)F)C1=O    		 2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate
    49004 Z5Y 2 C24 H19 Cl2 F O3 InChI=1S/C24H19Cl2FO3/c1-
    13(22-19(25)9-10-20(26)24
    (22)27)30-17-8-6-14-2-3-1
    6(7-11-21(28)29)23(15-4-5
    -15)18(14)12-17/h2-3,6-13
    ,15H,4-5H2,1H3,(H,28,29)/
    b11-7+/t13-/m0/s1;
    JHFVJNXUDGWYLT-HJTPGIPUSA-N    		 Fc1c(Cl)ccc(Cl)c1C(C)Oc1cc2c(cc1)ccc(/C=
    C/C(=O)O)c2C1CC1; C[C@@H](c1c(ccc(c1F)Cl
    )Cl)Oc2ccc3ccc(c(c3c2)C4CC4)/C=C/C(=O)O;
    C[C@H](Oc1ccc2ccc(\C=C\C(O)=O)c(C3CC3)c
    2c1)c4c(Cl)ccc(Cl)c4F; CC(c1c(ccc(c1F)Cl
    )Cl)Oc2ccc3ccc(c(c3c2)C4CC4)C=CC(=O)O; C
    [CH](Oc1ccc2ccc(C=CC(O)=O)c(C3CC3)c2c1)c
    4c(Cl)ccc(Cl)c4F    		 (2E)-3-{1-cyclopropyl-7-[(1S)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid
    49005 Z5Z
    ZINC000084286857    		 1 C9 H15 N3 O S InChI=1S/C9H15N3OS/c1-6-4
    -12(5-7(2)13-6)9-10-8(3)1
    1-14-9/h6-7H,4-5H2,1-3H3/
    t6-,7+;
    UXNQAHCNOXNZAL-KNVOCYPGSA-N    		 C[CH]1CN(C[CH](C)O1)c2snc(C)n2; Cc1nc(sn
    1)N2CC(OC(C2)C)C; Cc1nc(sn1)N2C[C@H](O[C
    @H](C2)C)C; C[C@H]1CN(C[C@@H](C)O1)c2snc
    (C)n2; Cc1nc(sn1)N1CC(C)OC(C)C1    		 (2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
    49006 Z60
    CHEMBL2377859
    ZINC000001839490    		 1 C11 H10 Cl N3 O S2 InChI=1S/C11H10ClN3OS2/c1
    -2-5-14-11-15-10(13)9(18-
    11)8(16)6-3-4-7(12)17-6/h
    2-4H,1,5,13H2,(H,14,15);
    KOFQZAVTXLVRJI-UHFFFAOYSA-N    		 Nc1nc(NCC=C)sc1C(=O)c2sc(Cl)cc2; C=CCNc1
    nc(c(s1)C(=O)c2ccc(s2)Cl)N; Clc1sc(cc1)C
    (=O)c2sc(nc2N)NC\C=C    		 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone
    49007 Z61
    CHEMBL4303562
    ZINC000003860328    		 4 C6 H12 O5 InChI=1S/C6H12O5/c7-2-4-6
    (10)3(8)1-5(9)11-4/h3-10H
    ,1-2H2/t3-,4-,5+,6+/m1/s1;
    PMMURAAUARKVCB-ZXXMMSQZSA-N    		 C1C(C(C(OC1O)CO)O)O; C1[C@H]([C@@H]([C@H
    ](O[C@@H]1O)CO)O)O; OC1C(OC(O)CC1O)CO; O
    C[CH]1O[CH](O)C[CH](O)[CH]1O; OC[C@H]1O[
    C@H](O)C[C@@H](O)[C@@H]1O    		 2-deoxy-alpha-D-arabino-hexopyranose;
    2-deoxy-alpha-D-glucopyranose;
    2-deoxy-alpha-D-mannopyranose
    49008 Z62
    CHEMBL2377863
    ZINC000002379970    		 1 C13 H12 N4 O3 S InChI=1S/C13H12N4O3S/c1-2
    -6-15-13-16-12(14)11(21-1
    3)10(18)8-4-3-5-9(7-8)17(
    19)20/h2-5,7H,1,6,14H2,(H
    ,15,16);
    LDOOUPSIRAPDLT-UHFFFAOYSA-N    		 [O-][N+](=O)c1cccc(c1)C(=O)c2sc(nc2N)NC\
    C=C; C=CCNc1nc(c(s1)C(=O)c2cccc(c2)[N+](
    =O)[O-])N; Nc1nc(NCC=C)sc1C(=O)c2cccc(c2
    )[N+]([O-])=O    		 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
    49009 Z63
    CHEMBL2377853
    ZINC000095920620    		 1 C12 H12 N4 O S InChI=1S/C12H12N4OS/c1-2-
    5-15-12-16-11(13)10(18-12
    )9(17)8-3-6-14-7-4-8/h2-4
    ,6-7H,1,5,13H2,(H,15,16);
    JYLDWTJXERPEGH-UHFFFAOYSA-N    		 Nc1nc(NCC=C)sc1C(=O)c2ccncc2; C=CCNc1nc(
    c(s1)C(=O)c2ccncc2)N; O=C(c1sc(nc1N)NC\C
    =C)c2ccncc2    		 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-4-yl)methanone
    49010 Z64
    CHEMBL1236930
    ZINC000058650871    		 1 C18 H21 N7 O InChI=1S/C18H21N7O/c1-12-
    13(15(24-23-12)14-7-5-9-2
    6-14)6-3-4-8-25(2)18-16-1
    7(20-10-19-16)21-11-22-18
    /h5,7,9-11H,3-4,6,8H2,1-2
    H3,(H,23,24)(H,19,20,21,2
    2);
    PBUASXAIYKZEKU-UHFFFAOYSA-N    		 Cc1c(c([nH]n1)c2ccco2)CCCCN(C)c3c4c(nc[n
    H]4)ncn3; CN(CCCCc1c(C)n[nH]c1c2occc2)c3
    ncnc4nc[nH]c34; n1c(c(c(n1)c2occc2)CCCCN
    (c4ncnc3ncnc34)C)C    		 N-[4-(5-furan-2-yl-3-methyl-1H-pyrazol-4-yl)butyl]-N-methyl-7H-purin-6-amine
    49011 Z67
    ZINC000095920669    		 1 C16 H13 F2 N5 O3 S2 InChI=1S/C16H13F2N5O3S2/c
    17-10-2-1-3-11(18)12(10)2
    2-15(24)13-14(19)23-16(27
    -13)21-8-4-6-9(7-5-8)28(2
    0,25)26/h1-7H,19H2,(H,21,
    23)(H,22,24)(H2,20,25,26);
    FQEUBNKUJIJESK-UHFFFAOYSA-N    		 c1cc(c(c(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3
    )S(=O)(=O)N)N)F; Fc1cccc(F)c1NC(=O)c2sc(
    nc2N)Nc3ccc(cc3)S(=O)(=O)N; Nc1nc(Nc2ccc
    (cc2)[S](N)(=O)=O)sc1C(=O)Nc3c(F)cccc3F    		 4-amino-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
    49012 Z68
    ZINC000095920697    		 1 C16 H18 N4 O3 S InChI=1S/C16H18N4O3S/c17-
    15-14(13(21)10-5-4-8-12(9
    -10)20(22)23)24-16(19-15)
    18-11-6-2-1-3-7-11/h4-5,8
    -9,11H,1-3,6-7,17H2,(H,18
    ,19);
    FLLZFUOEZYWLNJ-UHFFFAOYSA-N    		 Nc1nc(NC2CCCCC2)sc1C(=O)c3cccc(c3)[N+]([
    O-])=O; c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c
    (nc(s2)NC3CCCCC3)N; [O-][N+](=O)c1cccc(c
    1)C(=O)c2sc(nc2N)NC3CCCCC3    		 [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
    49013 Z69 1 C72 H141 O24 P InChI=1S/C72H141O24P/c1-5
    -8-11-14-17-19-21-23-25-2
    7-29-35-41-46-57(75)89-51
    -55-60(78)62(80)67(85)72(
    93-55)95-69-65(83)63(81)6
    4(82)68(94-71-66(84)61(79
    )59(77)54(48-73)92-71)70(
    69)96-97(86,87)90-50-53(9
    1-58(76)47-42-37-30-28-26
    -24-22-20-18-15-12-9-6-2)
    49-88-56(74)45-40-36-32-3
    1-34-39-44-52(4)43-38-33-
    16-13-10-7-3/h52-85H,5-51
    H2,1-4H3,(H,86,87)/t52-,5
    3+,54-,55-,56-,57+,58-,59
    -,60+,61-,62-,63-,64+,65+
    ,66-,67-,68+,69-,70-,71-,
    72+/m0/s1;
    BAUIYLWUNSEMCF-OVJHHBNUSA-N    		 CCCCCCCCCCCCCCC[C@H](O)OC[C@@H]1O[C@H](O
    [C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O
    [C@@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]
    3O)[C@@H]2O[P](O)(=O)OC[C@@H](CO[C@H](O)
    CCCCCCCC[C@@H](C)CCCCCCCC)O[C@H](O)CCCCC
    CCCCCCCCCC)[C@@H](O)[C@@H](O)[C@@H]1O; C
    CCCCCCCCCCCCCC[CH](O)OC[CH]1O[CH](O[CH]2
    [CH](O)[CH](O)[CH](O)[CH](O[CH]3O[CH](CO
    )[CH](O)[CH](O)[CH]3O)[CH]2O[P](O)(=O)OC
    [CH](CO[CH](O)CCCCCCCC[CH](C)CCCCCCCC)O[
    CH](O)CCCCCCCCCCCCCCC)[CH](O)[CH](O)[CH]
    1O; CCCCCCCCCCCCCCCC(O)OCC1C(C(C(C(O1)OC
    2C(C(C(C(C2OP(=O)(O)OCC(COC(CCCCCCCCC(C)
    CCCCCCCC)O)OC(CCCCCCCCCCCCCCC)O)OC3C(C(C
    (C(O3)CO)O)O)O)O)O)O)O)O)O; O=P(OCC(OC(O
    )CCCCCCCCCCCCCCC)COC(O)CCCCCCCCC(C)CCCCC
    CCC)(O)OC3C(OC1OC(C(O)C(O)C1O)COC(O)CCCC
    CCCCCCCCCCC)C(O)C(O)C(O)C3OC2OC(CO)C(O)C
    (O)C2O; CCCCCCCCCCCCCCC[C@H](O)OC[C@H]1[
    C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H
    ]([C@H]([C@H]([C@H]([C@@H]2O[P@](=O)(O)O
    C[C@@H](CO[C@@H](CCCCCCCC[C@@H](C)CCCCCC
    CC)O)O[C@@H](CCCCCCCCCCCCCCC)O)O[C@H]3[C
    @H]([C@H]([C@H]([C@@H](O3)CO)O)O)O)O)O)O
    )O)O)O
    49014 Z6F 1 C19 H26 Cl F N4 O3 InChI=1S/C19H26ClFN4O3/c1
    -23-4-6-24(7-5-23)19(28)2
    5-10-13(12-26)8-14(11-25)
    18(27)22-15-2-3-16(20)17(
    21)9-15/h2-3,9,13-14,26H,
    4-8,10-12H2,1H3,(H,22,27)
    /t13-,14+/m1/s1;
    YJQIDERPUXKPOK-KGLIPLIRSA-N    		 CN1CCN(CC1)C(=O)N2CC(CC(C2)C(=O)Nc3ccc(c
    (c3)F)Cl)CO; CN1CCN(CC1)C(=O)N2C[CH](CO)
    C[CH](C2)C(=O)Nc3ccc(Cl)c(F)c3; CN1CCN(C
    C1)C(=O)N2C[C@H](CO)C[C@@H](C2)C(=O)Nc3c
    cc(Cl)c(F)c3; O=C(N1CCN(C)CC1)N1CC(CC(CO
    )C1)C(=O)Nc1ccc(Cl)c(F)c1; CN1CCN(CC1)C(
    =O)N2C[C@@H](C[C@@H](C2)C(=O)Nc3ccc(c(c3
    )F)Cl)CO    		 (3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide
    49015 Z6G 0 C6 H14 N O3 InChI=1S/C6H13NO3/c1-3-6(
    9)4(7)2-5(8)10-3/h3-6,8-9
    H,2,7H2,1H3/p+1/t3-,4-,5+
    ,6-/m0/s1;
    BBMKQGIZNKEDOX-AZGQCCRYSA-O    		 CC1C(C(CC(O1)O)[NH3+])O; C[C@H]1[C@@H]([
    C@H](C[C@@H](O1)O)[NH3+])O; C[CH]1O[CH](
    O)C[CH]([NH3+])[CH]1O; C[C@@H]1O[C@@H](O
    )C[C@H]([NH3+])[C@H]1O; OC1C(OC(O)CC1[NH
    3+])C    		 3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranose
    49016 Z6H
    ZINC000000896167    		 2 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3-,4-,5+,6+/m
    0/s1;
    WQZGKKKJIJFFOK-FQJSGBEDSA-N    		 OC[C@@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H
    ]1O; C(C1C(C(C(C(O1)O)O)O)O)O; C([C@H]1[
    C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O;
    OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O; OC1
    C(O)C(OC(O)C1O)CO    		 alpha-L-altropyranose;
    alpha-L-altrose;
    L-altrose;
    altrose
    49017 Z6I
    ZINC000082403329    		 1 C9 H15 N3 InChI=1S/C9H15N3/c1-7-9(6
    -11-12-7)8-2-4-10-5-3-8/h
    6,8,10H,2-5H2,1H3,(H,11,1
    2);
    RUDBDQGQYSXYGD-UHFFFAOYSA-N    		 Cc1[nH]ncc1C2CCNCC2; Cc1c(cn[nH]1)C2CCNC
    C2; Cc1[NH]ncc1C1CCNCC1    		 4-(5-methyl-1H-pyrazol-4-yl)piperidine
    49018 Z6J
    ZINC000000895052    		 5 C5 H10 O5 InChI=1S/C5H10O5/c6-1-2-3
    (7)4(8)5(9)10-2/h2-9H,1H2
    /t2-,3-,4-,5+/m0/s1;
    HMFHBZSHGGEWLO-NEEWWZBLSA-N    		 C([C@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O;
    OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H]1O; C(
    C1C(C(C(O1)O)O)O)O; OC[CH]1O[CH](O)[CH](
    O)[CH]1O; OC1C(OC(O)C1O)CO    		 alpha-L-ribofuranose;
    alpha-L-ribose;
    L-ribose;
    ribose
    49019 Z6P
    CHEMBL4869882    		 1 C24 H22 F2 N4 O3 InChI=1S/C24H22F2N4O3/c1-
    12-6-18(30-24(33)21(31)13
    -7-15(25)10-16(26)8-13)4-
    5-19(12)14-9-20(22(27)28-
    11-14)23(32)29-17-2-3-17/
    h4-11,17,21,31H,2-3H2,1H3
    ,(H2,27,28)(H,29,32)(H,30
    ,33)/t21-/m1/s1;
    ZAEWPVUVQVUGEE-OAQYLSRUSA-N    		 Cc1cc(NC(=O)[CH](O)c2cc(F)cc(F)c2)ccc1c3
    cnc(N)c(c3)C(=O)NC4CC4; O=C(NC1CC1)c1cc(
    cnc1N)c1ccc(NC(=O)C(O)c2cc(F)cc(F)c2)cc1
    C; Cc1cc(ccc1c2cc(c(nc2)N)C(=O)NC3CC3)NC
    (=O)[C@@H](c4cc(cc(c4)F)F)O; Cc1cc(NC(=O
    )[C@H](O)c2cc(F)cc(F)c2)ccc1c3cnc(N)c(c3
    )C(=O)NC4CC4; Cc1cc(ccc1c2cc(c(nc2)N)C(=
    O)NC3CC3)NC(=O)C(c4cc(cc(c4)F)F)O    		 2-amino-N-cyclopropyl-5-(4-{[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide
    49020 Z6V
    CHEMBL5095202
    DB17520    		 1 C23 H25 N7 O2 InChI=1S/C23H25N7O2/c1-14
    (2)27-23-25-12-18(22(31)3
    0(23)5)19-6-7-21(15(3)28-
    19)32-17-8-9-24-20(10-17)
    16-11-26-29(4)13-16/h6-14
    H,1-5H3,(H,25,27);
    TVGAHWWPABTBCX-UHFFFAOYSA-N    		 Cn1cc(cn1)c1nccc(Oc2ccc(nc2C)C2=CN=C(NC(
    C)C)N(C)C2=O)c1; Cc1c(ccc(n1)C2=CN=C(N(C
    2=O)C)NC(C)C)Oc3ccnc(c3)c4cnn(c4)C; CC(C
    )NC1=NC=C(C(=O)N1C)c2ccc(Oc3ccnc(c3)c4cn
    n(C)c4)c(C)n2    		 Vimseltinib;
    3-methyl-5-(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)-2-[(propan-2-yl)amino]pyrimidin-4(3H)-one
    49021 Z6W 1 C14 H28 O6 InChI=1S/C14H28O6/c1-2-3-
    4-5-6-7-10(16)8-11-12(17)
    13(18)14(19,9-15)20-11/h1
    0-13,15-19H,2-9H2,1H3/t10
    -,11-,12-,13+,14-/m1/s1;
    ACFOUPJNYNVPQE-XGFWRYKXSA-N    		 CCCCCCCC(C[C@@H]1[C@H]([C@@H]([C@](O1)(C
    O)O)O)O)O; OC1C(O)C(OC1(O)CO)CC(O)CCCCCC
    C; CCCCCCC[C@@H](O)C[C@H]1O[C@](O)(CO)[C
    @@H](O)[C@@H]1O; CCCCCCCC(CC1C(C(C(O1)(C
    O)O)O)O)O; CCCCCCC[CH](O)C[CH]1O[C](O)(C
    O)[CH](O)[CH]1O    		 (5R)-5-[(2R)-2-hydroxynonyl]-beta-D-xylulofuranose
    49022 Z6X
    ZINC000032838976    		 2 C14 H26 O3 InChI=1S/C14H26O3/c1-2-3-
    4-5-6-7-8-9-10-11-13(15)1
    2-14(16)17/h2-12H2,1H3,(H
    ,16,17);
    XLKOZYOVXNPWGT-UHFFFAOYSA-N    		 O=C(CCCCCCCCCCC)CC(=O)O; CCCCCCCCCCCC(=O
    )CC(O)=O; CCCCCCCCCCCC(=O)CC(=O)O    		 3-oxotetradecanoic acid
    49023 Z70
    CHEMBL1099168
    ZINC000049089469    		 2 C7 H12 N4 O2 InChI=1S/C7H12N4O2/c8-5(6
    (12)13)2-1-4-3-10-7(9)11-
    4/h3,5H,1-2,8H2,(H,12,13)
    (H3,9,10,11)/t5-/m0/s1;
    FXIIKDXCDODGRI-YFKPBYRVSA-N    		 N[C@@H](CCc1[nH]c(N)nc1)C(O)=O; O=C(O)C(
    N)CCc1cnc(N)n1; c1c([nH]c(n1)N)CC[C@@H](
    C(=O)O)N; N[CH](CCc1[nH]c(N)nc1)C(O)=O;
    c1c([nH]c(n1)N)CCC(C(=O)O)N    		 (2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic acid;
    2-aminohomohistidine
    49024 Z71
    ZINC000095920773    		 1 C16 H13 F2 N5 O3 S2 InChI=1S/C16H13F2N5O3S2/c
    17-8-5-9(18)7-11(6-8)21-1
    5(24)13-14(19)23-16(27-13
    )22-10-1-3-12(4-2-10)28(2
    0,25)26/h1-7H,19H2,(H,21,
    24)(H,22,23)(H2,20,25,26);
    XTIMXWZYVZMPGC-UHFFFAOYSA-N    		 Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)Nc
    3cc(F)cc(F)c3; c1cc(ccc1Nc2nc(c(s2)C(=O)
    Nc3cc(cc(c3)F)F)N)S(=O)(=O)N; Fc1cc(cc(F
    )c1)NC(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)
    N    		 4-amino-N-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
    49025 Z72
    CHEMBL1096812
    ZINC000100103896    		 8 C20 H18 Cl2 N2 O4 InChI=1S/C20H18Cl2N2O4/c1
    -26-16-7-6-12-15(24-18-13
    (21)9-23-10-14(18)22)8-17
    (25)28-19(12)20(16)27-11-
    4-2-3-5-11/h6-11H,2-5H2,1
    H3,(H,23,24);
    YUTTWVBLGONANE-UHFFFAOYSA-N    		 COc1ccc2C(=CC(=O)Oc2c1OC3CCCC3)Nc4c(Cl)c
    ncc4Cl; COc1ccc2c(c1OC3CCCC3)OC(=O)C=C2N
    c4c(cncc4Cl)Cl; Clc1cncc(Cl)c1NC=2c4c(OC
    (=O)C=2)c(OC3CCCC3)c(OC)cc4    		 8-(cyclopentyloxy)-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxy-2H-chromen-2-one
    49026 Z73
    CHEMBL1086110
    ZINC000043206679    		 5 C15 H18 N4 O InChI=1S/C15H18N4O/c1-5-6
    -12-17-10(3)14-9(2)16-11-
    7-8-13(20-4)18-15(11)19(1
    2)14/h7-8H,5-6H2,1-4H3;
    YNADXFWEXJTQSZ-UHFFFAOYSA-N    		 n2c1c(nc(OC)cc1)n3c(c2C)c(nc3CCC)C; CCCc
    1nc(C)c2n1c3nc(OC)ccc3nc2C; CCCc1nc(c2n1
    c3c(ccc(n3)OC)nc2C)C    		 2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine
    49027 Z74
    CHEMBL1097319
    ZINC000049784328    		 2 C34 H42 F2 N4 O5 S InChI=1S/C34H42F2N4O5S/c1
    -4-12-39(13-5-2)34(43)26-
    16-23(3)15-25(20-26)33(42
    )38-30(19-24-17-27(35)21-
    28(36)18-24)32(41)31-22-4
    0(14-11-37-31)46(44,45)29
    -9-7-6-8-10-29/h6-10,15-1
    8,20-21,30-32,37,41H,4-5,
    11-14,19,22H2,1-3H3,(H,38
    ,42)/t30-,31+,32-/m0/s1;
    KDRUCCZCGHVXGH-QAXCHELISA-N    		 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(c
    c(c2)F)F)C(C3CN(CCN3)S(=O)(=O)c4ccccc4)O
    )C; CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H
    ](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN
    3)S(=O)(=O)c4ccccc4)O)C; O=S(=O)(c1ccccc
    1)N2CC(NCC2)C(O)C(NC(=O)c3cc(cc(C(=O)N(C
    CC)CCC)c3)C)Cc4cc(F)cc(F)c4; CCCN(CCC)C(
    =O)c1cc(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc(F)
    c2)[CH](O)[CH]3CN(CCN3)[S](=O)(=O)c4cccc
    c4; CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@
    @H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]3CN(CCN
    3)[S](=O)(=O)c4ccccc4    		 N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
    49028 Z75
    CHEMBL1097356
    ZINC000049783893    		 2 C35 H44 F2 N4 O3 InChI=1S/C35H44F2N4O3/c1-
    4-12-41(13-5-2)35(44)28-1
    6-24(3)15-27(20-28)34(43)
    39-31(19-26-17-29(36)21-3
    0(37)18-26)33(42)32-23-40
    (14-11-38-32)22-25-9-7-6-
    8-10-25/h6-10,15-18,20-21
    ,31-33,38,42H,4-5,11-14,1
    9,22-23H2,1-3H3,(H,39,43)
    /t31-,32+,33-/m0/s1;
    ZHZSBUKNHGZRTJ-DSPMFFIESA-N    		 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(c
    c(c2)F)F)C(C3CN(CCN3)Cc4ccccc4)O)C; CCCN
    (CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(
    cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN3)Cc4ccc
    cc4)O)C; CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O
    )N[CH](Cc2cc(F)cc(F)c2)[CH](O)[CH]3CN(CC
    N3)Cc4ccccc4; CCCN(CCC)C(=O)c1cc(C)cc(c1
    )C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C
    @H]3CN(CCN3)Cc4ccccc4    		 N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
    49029 Z76
    CHEMBL1097342
    ZINC000049802648    		 2 C35 H42 F2 N4 O6 S InChI=1S/C35H42F2N4O6S/c1
    -22-6-4-8-30(14-22)48(45,
    46)40-11-9-38-32(20-40)33
    (42)31(17-24-15-27(36)19-
    28(37)16-24)39-34(43)25-1
    2-23(2)13-26(18-25)35(44)
    41-10-5-7-29(41)21-47-3/h
    4,6,8,12-16,18-19,29,31-3
    3,38,42H,5,7,9-11,17,20-2
    1H2,1-3H3,(H,39,43)/t29-,
    31+,32-,33+/m1/s1;
    CQQMWBPWYUPVOC-PPESYSCFSA-N    		 Cc1cccc(c1)S(=O)(=O)[N@]2CCN[C@H](C2)[C@
    H]([C@H](Cc3cc(cc(c3)F)F)NC(=O)c4cc(cc(c
    4)C(=O)N5CCC[C@@H]5COC)C)O; COC[CH]1CCCN
    1C(=O)c2cc(C)cc(c2)C(=O)N[CH](Cc3cc(F)cc
    (F)c3)[CH](O)[CH]4CN(CCN4)[S](=O)(=O)c5c
    ccc(C)c5; COC[C@H]1CCCN1C(=O)c2cc(C)cc(c
    2)C(=O)N[C@@H](Cc3cc(F)cc(F)c3)[C@H](O)[
    C@H]4CN(CCN4)[S](=O)(=O)c5cccc(C)c5; Cc1
    cccc(c1)S(=O)(=O)N2CCNC(C2)C(C(Cc3cc(cc(
    c3)F)F)NC(=O)c4cc(cc(c4)C(=O)N5CCCC5COC)
    C)O    		 N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide
    49030 Z77
    CHEMBL1236932
    ZINC000000920091    		 2 C22 H25 N3 O3 S InChI=1S/C22H25N3O3S/c1-1
    4-9-16-11-17(21(27)24-20(
    16)10-15(14)2)13-25(7-8-2
    6)22(29)23-18-5-4-6-19(12
    -18)28-3/h4-6,9-12,26H,7-
    8,13H2,1-3H3,(H,23,29)(H,
    24,27);
    ANZIHXJDZSQUFB-UHFFFAOYSA-N    		 Cc1cc2c(cc1C)NC(=O)C(=C2)CN(CCO)C(=S)Nc3
    cccc(c3)OC; COc1cccc(NC(=S)N(CCO)CC2=Cc3
    cc(C)c(C)cc3NC2=O)c1    		 1-[(6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(3-methoxyphenyl)thiourea
    49031 Z78
    CHEMBL1236933
    ZINC000001353006    		 2 C20 H20 F N3 O3 InChI=1S/C20H20FN3O3/c1-1
    3-6-7-17-14(10-13)11-15(1
    9(26)22-17)12-24(8-9-25)2
    0(27)23-18-5-3-2-4-16(18)
    21/h2-7,10-11,25H,8-9,12H
    2,1H3,(H,22,26)(H,23,27);
    IZEKTGGQNDYMPR-UHFFFAOYSA-N    		 Cc1ccc2NC(=O)C(=Cc2c1)CN(CCO)C(=O)Nc3ccc
    cc3F; Cc1ccc2c(c1)C=C(C(=O)N2)CN(CCO)C(=
    O)Nc3ccccc3F    		 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]urea
    49032 Z79
    CHEMBL83508
    ZINC000010450351    		 2 C9 H12 N2 O5 S InChI=1S/C9H12N2O5S/c1-16
    -7-2-4-8(5-3-7)17(14,15)1
    0-6-9(12)11-13/h2-5,10,13
    H,6H2,1H3,(H,11,12);
    WLZISXXOYYGJNT-UHFFFAOYSA-N    		 COc1ccc(cc1)[S](=O)(=O)NCC(=O)NO; COc1cc
    c(cc1)S(=O)(=O)NCC(=O)NO    		 N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
    49033 Z7B 1 C32 H67 O4 P InChI=1S/C32H67O4P/c1-7-8
    -9-10-11-17-28(2)18-12-19
    -29(3)20-13-21-30(4)22-14
    -23-31(5)24-15-25-32(6)26
    -16-27-36-37(33,34)35/h28
    -32H,7-27H2,1-6H3,(H2,33,
    34,35)/t28-,29-,30-,31-,3
    2-/m0/s1;
    WLNOCCJMGSEDAT-XDIGFQIYSA-N    		 CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C
    CCOP(=O)(O)O; O=P(OCCCC(CCCC(C)CCCC(C)CC
    CC(C)CCCC(C)CCCCCCC)C)(O)O; CCCCCCC[C@H]
    (C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[
    C@H](C)CCCO[P](O)(O)=O; CCCCCCC[CH](C)CC
    C[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CC
    CO[P](O)(O)=O; CCCCCCC[C@H](C)CCC[C@H](C
    )CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCOP(
    =O)(O)O    		 (4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate
    49034 Z7D
    CHEMBL4644629    		 1 C24 H23 F O3 S InChI=1S/C24H23FO3S/c25-2
    1-10-14-23(15-11-21)29(26
    ,27)24(16-4-5-17-24)20-8-
    12-22(13-9-20)28-18-19-6-
    2-1-3-7-19/h1-3,6-15H,4-5
    ,16-18H2;
    IXMWLTXJOWOLAW-UHFFFAOYSA-N    		 Fc1ccc(cc1)[S](=O)(=O)C2(CCCC2)c3ccc(OCc
    4ccccc4)cc3; c1ccc(cc1)COc2ccc(cc2)C3(CC
    CC3)S(=O)(=O)c4ccc(cc4)F; c2c(OCc1ccccc1
    )ccc(c2)C3(CCCC3)S(c4ccc(cc4)F)(=O)=O    		 1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene
    49035 Z7F 1 C33 H32 Cl F2 N O6 S InChI=1S/C33H32ClF2NO6S/c
    34-28-2-1-3-29(36)26(28)1
    9-43-24-11-14-27-22(18-24
    )8-15-30-33(27,44(41,42)2
    5-12-9-23(35)10-13-25)16-
    17-37(30)31(38)20-4-6-21(
    7-5-20)32(39)40/h1-3,9-14
    ,18,20-21,30H,4-8,15-17,1
    9H2,(H,39,40)/t20-,21-,30
    -,33-/m1/s1;
    MWCCYYVYYDJWMW-KYNBKCAXSA-N    		 c1cc(c(c(c1)Cl)COc2ccc3c(c2)CCC4C3(CCN4C
    (=O)C5CCC(CC5)C(=O)O)S(=O)(=O)c6ccc(cc6)
    F)F; c1cc(c(c(c1)Cl)COc2ccc3c(c2)CC[C@@H
    ]4[C@]3(CCN4C(=O)C5CCC(CC5)C(=O)O)S(=O)(
    =O)c6ccc(cc6)F)F; c2(OCc1c(cccc1F)Cl)cc3
    c(cc2)C4(C(CC3)N(CC4)C(=O)C5CCC(CC5)C(=O
    )O)S(c6ccc(cc6)F)(=O)=O; OC(=O)[CH]1CC[C
    H](CC1)C(=O)N2CC[C]3([CH]2CCc4cc(OCc5c(F
    )cccc5Cl)ccc34)[S](=O)(=O)c6ccc(F)cc6; O
    C(=O)[C@H]1CC[C@@H](CC1)C(=O)N2CC[C@@]3(
    [C@H]2CCc4cc(OCc5c(F)cccc5Cl)ccc34)[S](=
    O)(=O)c6ccc(F)cc6    		 trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid
    49036 Z7G
    CHEMBL4797657
    ZINC000038287605    		 1 C17 H18 Cl2 O3 InChI=1S/C17H18Cl2O3/c1-1
    0(2)13-8-12(4-5-16(13)21-
    3)22-17-14(18)6-11(9-20)7
    -15(17)19/h4-8,10,20H,9H2
    ,1-3H3;
    YJBUGSRJCVSLKC-UHFFFAOYSA-N    		 COc1ccc(Oc2c(Cl)cc(CO)cc2Cl)cc1C(C)C; c1
    (c(Cl)cc(cc1Cl)CO)Oc2ccc(c(c2)C(C)C)OC;
    CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)CO)Cl    		 {3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol
    49037 Z7H
    CHEMBL4784974    		 1 C23 H22 Cl2 N2 O3 InChI=1S/C23H22Cl2N2O3/c1
    -14(2)18-12-17(6-7-21(18)
    29-3)30-23-19(24)10-16(11
    -20(23)25)27-22(28)9-15-5
    -4-8-26-13-15/h4-8,10-14H
    ,9H2,1-3H3,(H,27,28);
    NSQNWKUVCNRXBW-UHFFFAOYSA-N    		 CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)NC(=O)Cc3
    cccnc3)Cl; COc1ccc(Oc2c(Cl)cc(NC(=O)Cc3c
    ccnc3)cc2Cl)cc1C(C)C; c1(cnccc1)CC(Nc3cc
    (c(Oc2ccc(c(c2)C(C)C)OC)c(c3)Cl)Cl)=O    		 N-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide
    49038 Z7I
    CHEMBL4796044    		 1 C23 H29 Cl2 N3 O5 S InChI=1S/C23H29Cl2N3O5S/c
    1-14(2)18-12-17(13-26-23(
    18)32-3)33-22-19(24)10-16
    (11-20(22)25)27-21(29)9-1
    5-5-7-28(8-6-15)34(4,30)3
    1/h10-15H,5-9H2,1-4H3,(H,
    27,29);
    CMWKFXBFRJPOBS-UHFFFAOYSA-N    		 c1(c(ncc(c1)Oc2c(Cl)cc(cc2Cl)NC(=O)CC3CC
    N(S(C)(=O)=O)CC3)OC)C(C)C; CC(C)c1cc(cnc
    1OC)Oc2c(cc(cc2Cl)NC(=O)CC3CCN(CC3)S(=O)
    (=O)C)Cl; COc1ncc(Oc2c(Cl)cc(NC(=O)CC3CC
    N(CC3)[S](C)(=O)=O)cc2Cl)cc1C(C)C    		 N-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide
    49039 Z7N 1 C21 H30 Cl F N4 O3 InChI=1S/C21H30ClFN4O3/c1
    -13-8-26(9-14(2)25(13)3)2
    1(30)27-10-15(12-28)6-16(
    11-27)20(29)24-17-4-5-18(
    22)19(23)7-17/h4-5,7,13-1
    6,28H,6,8-12H2,1-3H3,(H,2
    4,29)/t13-,14+,15-,16+/m1
    /s1;
    ICLRAUCRFDHWBU-QXSJWSMHSA-N    		 CC1CN(CC(N1C)C)C(=O)N2CC(CC(C2)C(=O)Nc3c
    cc(c(c3)F)Cl)CO; C[C@@H]1CN(C[C@@H](N1C)
    C)C(=O)N2C[C@@H](C[C@@H](C2)C(=O)Nc3ccc(
    c(c3)F)Cl)CO; C[CH]1CN(C[CH](C)N1C)C(=O)
    N2C[CH](CO)C[CH](C2)C(=O)Nc3ccc(Cl)c(F)c
    3; C[C@@H]1CN(C[C@H](C)N1C)C(=O)N2C[C@H]
    (CO)C[C@@H](C2)C(=O)Nc3ccc(Cl)c(F)c3; CC
    1CN(CC(C)N1C)C(=O)N1CC(CC(CO)C1)C(=O)Nc1
    ccc(Cl)c(F)c1    		 (3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide
    49040 Z7P 8 C23 H33 N4 O20 P3 InChI=1S/C23H33N4O20P3/c1
    -9-16(29)12(11(5-24-9)7-4
    2-48(35,36)37)6-25-15-10(
    2)44-22(20(33)18(15)31)46
    -50(40,41)47-49(38,39)43-
    8-13-17(30)19(32)21(45-13
    )27-4-3-14(28)26-23(27)34
    /h3-6,10,13,15,17-22,29-3
    3H,7-8H2,1-2H3,(H,38,39)(
    H,40,41)(H,26,28,34)(H2,3
    5,36,37)/b25-6+/t10-,13-,
    15-,17-,18+,19-,20-,21-,2
    2-/m1/s1;
    YCGRRMXEGFNOLB-XUIBUIKDSA-N    		 O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O
    )OC2OC(C)C(/N=C/c3c(COP(=O)(O)O)cnc(C)c3
    O)C(O)C2O)C(O)C1O; C[C@H]1O[C@H](O[P](O)
    (=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C
    @@H]2O)N3C=CC(=O)NC3=O)[C@H](O)[C@@H](O)
    [C@@H]1N=Cc4c(O)c(C)ncc4CO[P](O)(O)=O; C
    c1c(c(c(cn1)COP(=O)(O)O)C=NC2C(OC(C(C2O)
    O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(
    =O)NC4=O)O)O)C)O; Cc1c(c(c(cn1)COP(=O)(O
    )O)/C=N/[C@@H]2[C@H](O[C@@H]([C@@H]([C@H
    ]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([
    C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)C)O;
    C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]
    2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH
    ](O)[CH](O)[CH]1N=Cc4c(O)c(C)ncc4CO[P](O
    )(O)=O    		 (2R,3R,4S,5S,6R)-3,4-dihydroxy-5-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyloxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
    49041 Z7S 1 C9 H18 N2 O5 InChI=1S/C9H18N2O5/c1-4(1
    4)10-7-5(2-12)11-6(3-13)8
    (15)9(7)16/h5-9,11-13,15-
    16H,2-3H2,1H3,(H,10,14)/t
    5-,6-,7+,8-,9-/m1/s1;
    GYKHMAHAJKZLAT-SYHAXYEDSA-N    		 CC(=O)NC1C(NC(C(C1O)O)CO)CO; CC(=O)N[C@H
    ]1[C@H](N[C@@H]([C@H]([C@@H]1O)O)CO)CO;
    CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)N[CH]1
    CO; OC1C(O)C(NC(C)=O)C(CO)NC1CO; CC(=O)N
    [C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N[C@@H
    ]1CO    		 N-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide
    49042 Z7T 1 C11 H15 N3 O InChI=1S/C11H15N3O/c12-11
    (15)8-5-6-13-10(7-8)14-9-
    3-1-2-4-9/h5-7,9H,1-4H2,(
    H2,12,15)(H,13,14);
    VCDXBFXIABGZKP-UHFFFAOYSA-N    		 NC(=O)c1ccnc(NC2CCCC2)c1; c1cnc(cc1C(=O)
    N)NC2CCCC2    		 2-(cyclopentylamino)pyridine-4-carboxamide
    49043 Z7Z
    CHEMBL107057
    ZINC000000157472    		 4 C13 H10 O2 InChI=1S/C13H10O2/c14-13(
    15)12-8-6-11(7-9-12)10-4-
    2-1-3-5-10/h1-9H,(H,14,15
    );
    NNJMFJSKMRYHSR-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccc(cc2)C(=O)O; OC(=O)c1ccc(
    cc1)c2ccccc2; O=C(O)c2ccc(c1ccccc1)cc2    		 biphenyl-4-carboxylic acid
    49044 Z80
    CHEMBL71
    DB00477
    ZINC000000044027    		 25 C17 H19 Cl N2 S InChI=1S/C17H19ClN2S/c1-1
    9(2)10-5-11-20-14-6-3-4-7
    -16(14)21-17-9-8-13(18)12
    -15(17)20/h3-4,6-9,12H,5,
    10-11H2,1-2H3;
    ZPEIMTDSQAKGNT-UHFFFAOYSA-N    		 CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13; CN(C)C
    CCN1c2ccccc2Sc3c1cc(cc3)Cl    		 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine;
    Chlorpromazine
    49045 Z81
    CHEMBL1092788
    ZINC000049070014    		 1 C21 H16 F2 N4 O InChI=1S/C21H16F2N4O/c1-2
    7-19(28)21(26-20(27)24,14
    -7-9-25-10-8-14)15-4-2-3-
    13(11-15)17-12-16(22)5-6-
    18(17)23/h2-12H,1H3,(H2,2
    4,26)/t21-/m1/s1;
    RKYFABJLGJZOBA-OAQYLSRUSA-N    		 CN1C(=N[C@](C1=O)(c2ccncc2)c3cccc(c3)c4c
    c(F)ccc4F)N; CN1C(=N[C](C1=O)(c2ccncc2)c
    3cccc(c3)c4cc(F)ccc4F)N; CN1C(=O)C(N=C1N
    )(c2ccncc2)c3cccc(c3)c4cc(ccc4F)F; CN1C(
    =O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cc(
    ccc4F)F    		 (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one;
    4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID
    49046 Z82
    CHEMBL22051
    ZINC000000388063    		 10 C7 H5 Br O2 InChI=1S/C7H5BrO2/c8-6-3-
    1-5(2-4-6)7(9)10/h1-4H,(H
    ,9,10);
    TUXYZHVUPGXXQG-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)O)Br; OC(=O)c1ccc(Br)cc1 4-bromobenzoic acid
    49047 Z83
    CHEMBL1738942
    ZINC000066156453    		 1 C19 H21 N5 O3 S InChI=1S/C19H21N5O3S/c1-1
    9(2,3)14-11-15(21-17(27)2
    2-18-20-8-9-28-18)24(23-1
    4)13-6-4-12(5-7-13)10-16(
    25)26/h4-9,11H,10H2,1-3H3
    ,(H,25,26)(H2,20,21,22,27
    );
    RBPOVRMRESQJOZ-UHFFFAOYSA-N    		 CC(C)(C)c1cc(NC(=O)Nc2sccn2)n(n1)c3ccc(C
    C(O)=O)cc3; CC(C)(C)c1cc(n(n1)c2ccc(cc2)
    CC(=O)O)NC(=O)Nc3nccs3    		 (4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid;
    2-(4-(3-tert-butyl-5-(3-thiazol-2-ylureido)-1H-pyrazol-1-yl)phenyl)acetic acid
    49048 Z84
    CHEMBL1738943
    ZINC000066156894    		 1 C26 H30 N6 O2 S InChI=1S/C26H30N6O2S/c1-1
    8-5-7-21(8-6-18)32-23(15-
    22(31-32)26(2,3)4)29-24(3
    3)30-25-28-20(17-35-25)11
    -14-34-16-19-9-12-27-13-1
    0-19/h5-10,12-13,15,17H,1
    1,14,16H2,1-4H3,(H2,28,29
    ,30,33);
    DZVQBRGQNWDWIG-UHFFFAOYSA-N    		 Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3scc(CCOCc4cc
    ncc4)n3)C(C)(C)C; Cc1ccc(cc1)n2c(cc(n2)C
    (C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4ccncc4    		 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea;
    1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2-(pyridin-4-ylmethoxy)ethyl)thiazol-2-yl)urea
    49049 Z85
    CHEMBL1738944
    ZINC000066156896    		 1 C27 H31 N5 O2 S InChI=1S/C27H31N5O2S/c1-1
    9-10-12-22(13-11-19)32-24
    (16-23(31-32)27(2,3)4)29-
    25(33)30-26-28-21(18-35-2
    6)14-15-34-17-20-8-6-5-7-
    9-20/h5-13,16,18H,14-15,1
    7H2,1-4H3,(H2,28,29,30,33
    );
    MZGQVTBIULKWER-UHFFFAOYSA-N    		 Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3n
    c(cs3)CCOCc4ccccc4; Cc1ccc(cc1)n2nc(cc2N
    C(=O)Nc3scc(CCOCc4ccccc4)n3)C(C)(C)C    		 1-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea;
    1-(4-(2-(benzyloxy)ethyl)thiazol-2-yl)-3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea
    49050 Z86
    CHEMBL1738945
    ZINC000066156898    		 1 C28 H31 N5 O4 S InChI=1S/C28H31N5O4S/c1-2
    8(2,3)23-16-24(33(32-23)2
    2-11-9-19(10-12-22)15-25(
    34)35)30-26(36)31-27-29-2
    1(18-38-27)13-14-37-17-20
    -7-5-4-6-8-20/h4-12,16,18
    H,13-15,17H2,1-3H3,(H,34,
    35)(H2,29,30,31,36);
    QUOWKTGPIJLRIN-UHFFFAOYSA-N    		 CC(C)(C)c1cc(NC(=O)Nc2scc(CCOCc3ccccc3)n
    2)n(n1)c4ccc(CC(O)=O)cc4; CC(C)(C)c1cc(n
    (n1)c2ccc(cc2)CC(=O)O)NC(=O)Nc3nc(cs3)CC
    OCc4ccccc4    		 (4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1H-pyrazol-1-yl}phenyl)acetic acid;
    2-(4-(5-(3-(4-(2-(benzyloxy)ethyl)thiazol-2-yl)ureido)-3-tert-butyl-1H-pyrazol-1-yl)phenyl)acetic acid
    49051 Z87
    CHEMBL1738946
    ZINC000066156998    		 1 C18 H21 N5 O S InChI=1S/C18H21N5OS/c1-12
    -5-7-13(8-6-12)23-15(11-1
    4(22-23)18(2,3)4)20-16(24
    )21-17-19-9-10-25-17/h5-1
    1H,1-4H3,(H2,19,20,21,24);
    YHFISDMDEBLKPE-UHFFFAOYSA-N    		 Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3sccn3)C(C)(C
    )C; Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)
    Nc3nccs3    		 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea;
    1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(thiazol-2-yl)urea
    49052 Z88
    ZINC000000242755    		 2 C8 H8 Br N O3 S InChI=1S/C8H8BrNO3S/c1-6(
    11)10-14(12,13)8-4-2-7(9)
    3-5-8/h2-5H,1H3,(H,10,11);
    GUSSBUVTIMQOBB-UHFFFAOYSA-N    		 CC(=O)NS(=O)(=O)c1ccc(cc1)Br; CC(=O)N[S]
    (=O)(=O)c1ccc(Br)cc1    		 N-[(4-bromophenyl)sulfonyl]acetamide
    49053 Z89
    ZINC000003077615    		 5 C15 H9 Br N2 O6 S2 InChI=1S/C15H9BrN2O6S2/c1
    6-5-1-2-7-6(3-5)10(12(21)
    17-7)11-13(22)18(15(25)26
    -11)8(14(23)24)4-9(19)20/
    h1-3,8H,4H2,(H,17,21)(H,1
    9,20)(H,23,24)/b11-10-/t8
    -/m1/s1;
    QGNRETMYLHRUBB-OZEWEUHLSA-N    		 c1cc2c(cc1Br)C(=C3C(=O)N(C(=S)S3)C(CC(=O
    )O)C(=O)O)C(=O)N2; c1cc2c(cc1Br)/C(=C/3\
    C(=O)N(C(=S)S3)[C@H](CC(=O)O)C(=O)O)/C(=
    O)N2; OC(=O)C[C@@H](N1C(=S)SC(/C1=O)=C/2
    C(=O)Nc3ccc(Br)cc/23)C(O)=O; OC(=O)C[CH]
    (N1C(=S)SC(C1=O)=C2C(=O)Nc3ccc(Br)cc23)C
    (O)=O    		 (2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid;
    N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE
    49054 Z8A
    ZINC000087495993    		 7 C44 H89 N O4 InChI=1S/C44H89NO4/c1-3-5
    -7-9-11-13-15-17-18-19-20
    -21-22-23-24-25-26-27-29-
    31-33-35-37-39-43(48)45-4
    1(40-46)44(49)42(47)38-36
    -34-32-30-28-16-14-12-10-
    8-6-4-2/h41-42,44,46-47,4
    9H,3-40H2,1-2H3,(H,45,48)
    /t41-,42+,44-/m0/s1;
    GKRXVCWVXYHWOD-KZRDWULCSA-N    		 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(
    CCCCCCCCCCCCCC)O)O; CCCCCCCCCCCCCCCCCCCC
    CCCCCC(=O)N[CH](CO)[CH](O)[CH](O)CCCCCCC
    CCCCCCC; CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N
    [C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
    ; O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCC
    CCCCCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCC
    CCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCC
    CCCCCCCCCCC)O)O    		 N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide
    49055 Z8B
    ZINC000081957324    		 3 C10 H11 Br N8 O3 InChI=1S/C10H11BrN8O3/c11
    -10-17-4-7(12)14-2-15-8(4
    )19(10)9-6(21)5(20)3(22-9
    )1-16-18-13/h2-3,5-6,9,20
    -21H,1H2,(H2,12,14,15)/t3
    -,5-,6-,9-/m1/s1;
    USVISQHKGJAQDS-UUOKFMHZSA-N    		 Brc2nc1c(ncnc1n2C3OC(C(O)C3O)C\N=[N+]=[N
    -])N; Nc1ncnc2n([CH]3O[CH](CN=[N+]=[N-])
    [CH](O)[CH]3O)c(Br)nc12; c1nc(c2c(n1)n(c
    (n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[
    N+]=[N-])O)O)N; Nc1ncnc2n([C@@H]3O[C@H](
    CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(Br)nc12;
    c1nc(c2c(n1)n(c(n2)Br)C3C(C(C(O3)CN=[N+
    ]=[N-])O)O)N    		 5'-azido-8-bromo-5'-deoxyadenosine
    49056 Z8G
    CHEMBL4761772    		 1 C26 H25 F8 N O4 S InChI=1S/C26H25F8NO4S/c1-
    22(2,37)21(36)35-20-11-12
    -23(40(38,39)17-7-5-16(27
    )6-8-17)18-10-4-15(13-14(
    18)3-9-19(20)23)24(28,25(
    29,30)31)26(32,33)34/h4-8
    ,10,13,19-20,37H,3,9,11-1
    2H2,1-2H3,(H,35,36)/t19-,
    20+,23+/m0/s1;
    JZUVTKBHDNIOHD-MIZPHKNDSA-N    		 CC(C)(O)C(=O)N[CH]1CC[C]2([CH]1CCc3cc(cc
    c23)C(F)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c4
    ccc(F)cc4; CC(C)(O)C(=O)N[C@@H]1CC[C@@]2
    ([C@H]1CCc3cc(ccc23)C(F)(C(F)(F)F)C(F)(F
    )F)[S](=O)(=O)c4ccc(F)cc4; CC(C)(C(=O)N[
    C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(c3)C(C(F)
    (F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O;
    CC(C)(C(=O)NC1CCC2(C1CCc3c2ccc(c3)C(C(F
    )(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O
    ; c1(C(C(F)(F)F)(F)C(F)(F)F)cc2c(cc1)C3(
    C(CC2)C(CC3)NC(=O)C(O)(C)C)S(=O)(c4ccc(c
    c4)F)=O    		 N-[(3R,3aS,9bS)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide
    49057 Z8H
    ZINC000000896168    		 0 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3+,4-,5-,6-/m
    0/s1;
    WQZGKKKJIJFFOK-GNFDWLABSA-N    		 C([C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O
    )O)O)O; C(C1C(C(C(C(O1)O)O)O)O)O; OC[C@@
    H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O;
    OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O; OC1
    C(O)C(OC(O)C1O)CO    		 beta-L-gulopyranose;
    beta-L-gulose;
    L-gulose;
    gulose
    49058 Z8I
    CHEMBL4782326    		 1 C30 H29 F9 N2 O5 S InChI=1S/C30H29F9N2O5S/c1
    -26(2,44)15-41-22(14-21(3
    2)24(41)42)25(43)40-12-11
    -27(47(45,46)19-7-5-18(31
    )6-8-19)20-9-4-17(13-16(2
    0)3-10-23(27)40)28(33,29(
    34,35)36)30(37,38)39/h4-9
    ,13,21-23,44H,3,10-12,14-
    15H2,1-2H3/t21-,22+,23-,2
    7-/m1/s1;
    NETWYXYMXZLUOG-QSGNWFJVSA-N    		 CC(C)(CN1C(CC(C1=O)F)C(=O)N2CCC3(C2CCc4c
    3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)
    c5ccc(cc5)F)O; CC(C)(CN1[C@@H](C[C@H](C1
    =O)F)C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)
    C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc
    5)F)O; CC(C)(O)CN1[C@@H](C[C@@H](F)C1=O)
    C(=O)N2CC[C@@]3([C@H]2CCc4cc(ccc34)C(F)(
    C(F)(F)F)C(F)(F)F)[S](=O)(=O)c5ccc(F)cc5
    ; C2CN(C(=O)C1N(C(C(C1)F)=O)CC(O)(C)C)C3
    CCc5cc(C(C(F)(F)F)(F)C(F)(F)F)ccc5C23S(c
    4ccc(cc4)F)(=O)=O; CC(C)(O)CN1[CH](C[CH]
    (F)C1=O)C(=O)N2CC[C]3([CH]2CCc4cc(ccc34)
    C(F)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c5ccc(
    F)cc5    		 (3R,5S)-3-fluoro-5-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one
    49059 Z8O
    CHEMBL5268152    		 4 C24 H19 N3 O2 InChI=1S/C24H19N3O2/c28-2
    2(27-14-13-17-5-1-4-8-21(
    17)27)15-16-9-11-18(12-10
    -16)23-19-6-2-3-7-20(19)2
    4(29)26-25-23/h1-12H,13-1
    5H2,(H,26,29);
    COYVFENBIAJDFY-UHFFFAOYSA-N    		 O=C(Cc1ccc(cc1)C2=NNC(=O)c3ccccc23)N4CCc
    5ccccc45; O=C(Cc1ccc(cc1)C1=NNC(=O)c2ccc
    cc21)N1CCc2ccccc21; c1ccc2c(c1)CCN2C(=O)
    Cc3ccc(cc3)C4=NNC(=O)c5c4cccc5    		 4-{4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]phenyl}phthalazin-1(2H)-one
    49060 Z8R
    CHEMBL4167242    		 4 C15 H15 N O4 S InChI=1S/C15H15NO4S/c1-21
    (19,20)16-10-11-5-7-12(8-
    6-11)13-3-2-4-14(9-13)15(
    17)18/h2-9,16H,10H2,1H3,(
    H,17,18);
    GDROHHKTEPPNSN-UHFFFAOYSA-N    		 C[S](=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(O)=O
    ; CS(=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(=O)O    		 3-[4-(methylsulfonylaminomethyl)phenyl]benzoic acid
    49061 Z8T
    ZINC000001532520    		 3 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3-,4+,5-,6-/m
    0/s1;
    WQZGKKKJIJFFOK-QYESYBIKSA-N    		 C(C1C(C(C(C(O1)O)O)O)O)O; OC[C@@H]1O[C@H
    ](O)[C@@H](O)[C@H](O)[C@H]1O; OC[CH]1O[C
    H](O)[CH](O)[CH](O)[CH]1O; C([C@H]1[C@@H
    ]([C@H]([C@@H]([C@H](O1)O)O)O)O)O; OC1C(
    O)C(OC(O)C1O)CO    		 beta-L-glucopyranose;
    beta-L-glucose;
    L-glucose;
    glucose
    49062 Z8V 1 C9 H18 N2 O5 InChI=1S/C9H18N2O5/c1-4(1
    4)10-7-5(2-12)11-6(3-13)8
    (15)9(7)16/h5-9,11-13,15-
    16H,2-3H2,1H3,(H,10,14)/t
    5-,6+,7-,8+,9+/m0/s1;
    GYKHMAHAJKZLAT-KVEIKIFDSA-N    		 CC(=O)NC1C(NC(C(C1O)O)CO)CO; CC(=O)N[CH]
    1[CH](O)[CH](O)[CH](CO)N[CH]1CO; OC1C(O)
    C(NC(C)=O)C(CO)NC1CO; CC(=O)N[C@@H]1[C@@
    H](O)[C@H](O)[C@@H](CO)N[C@H]1CO; CC(=O)
    N[C@H]1[C@@H](N[C@@H]([C@H]([C@@H]1O)O)C
    O)CO    		 N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide
    49063 Z8Z
    CHEMBL2347184
    ZINC000095602460    		 1 C37 H48 N6 O5 S InChI=1S/C37H48N6O5S/c1-2
    5(2)33(42-36(45)43(5)21-3
    1-23-49-35(40-31)26(3)4)3
    4(44)39-29(18-27-12-8-6-9
    -13-27)16-17-30(19-28-14-
    10-7-11-15-28)41-37(46)47
    -22-32-20-38-24-48-32/h6-
    15,20,23-26,29-30,33H,16-
    19,21-22H2,1-5H3,(H,39,44
    )(H,41,46)(H,42,45)/t29-,
    30-,33+/m1/s1;
    ZBUUPRZMJYAPQF-QSCLJHCWSA-N    		 CC(C)[CH](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O
    )N[CH](CC[CH](Cc2ccccc2)NC(=O)OCc3ocnc3)
    Cc4ccccc4; O=C(OCc1ocnc1)NC(Cc2ccccc2)CC
    C(NC(=O)C(NC(=O)N(Cc3nc(sc3)C(C)C)C)C(C)
    C)Cc4ccccc4; CC(C)c1nc(cs1)CN(C)C(=O)N[C
    @@H](C(C)C)C(=O)N[C@H](CC[C@H](Cc2ccccc2
    )NC(=O)OCc3cnco3)Cc4ccccc4; CC(C)c1nc(cs
    1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CCC(Cc2cccc
    c2)NC(=O)OCc3cnco3)Cc4ccccc4; CC(C)[C@H]
    (NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C
    C[C@H](Cc2ccccc2)NC(=O)OCc3ocnc3)Cc4cccc
    c4    		 N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5R)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenylhexan-2-yl]-L-valinamide
    49064 Z90
    CHEMBL1236936
    DB16126
    ZINC000003934935    		 5 C36 H39 N O5 InChI=1S/C36H39NO5/c38-35
    (39)12-6-7-24-37(26-30-19
    -21-33(22-20-30)36(40)41)
    25-23-32-10-4-5-11-34(32)
    42-27-31-17-15-29(16-18-3
    1)14-13-28-8-2-1-3-9-28/h
    1-5,8-11,15-22H,6-7,12-14
    ,23-27H2,(H,38,39)(H,40,4
    1);
    WPYWMXNXEZFMAK-UHFFFAOYSA-N    		 OC(=O)CCCCN(CCc1ccccc1OCc2ccc(CCc3ccccc3
    )cc2)Cc4ccc(cc4)C(O)=O; c1ccc(cc1)CCc2cc
    c(cc2)COc3ccccc3CC[N@@](CCCCC(=O)O)Cc4cc
    c(cc4)C(=O)O; c1ccc(cc1)CCc2ccc(cc2)COc3
    ccccc3CCN(CCCCC(=O)O)Cc4ccc(cc4)C(=O)O    		 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid;
    4-((4-carboxybutyl)(2-((4-phenethylbenzol)oxy) phenethyl) amino)methyl(benzoic) acid)
    49065 Z92
    CHEMBL1088012
    ZINC000034008497    		 2 C17 H15 Cl N4 O3 InChI=1S/C17H15ClN4O3/c1-
    24-13-8-3-10(9-14(13)25-2
    )15-16(17(23)22-20-15)21-
    19-12-6-4-11(18)5-7-12/h3
    -9,19H,1-2H3,(H,21,22,23);
    UXJPKQXTZFNBHT-UHFFFAOYSA-N    		 COc1ccc(cc1OC)C\2=NNC(=O)C\2=N/Nc3ccc(Cl
    )cc3; COc1ccc(cc1OC)C2=NNC(=O)C2=NNc3ccc
    (cc3)Cl; COc1ccc(cc1OC)C\2=NNC(=O)/C2=N/
    Nc3ccc(cc3)Cl; COc1ccc(cc1OC)C2=NNC(=O)C
    2=NNc3ccc(Cl)cc3    		 (4E)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one;
    (4Z)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2H-pyrazol-3-one
    49066 Z93 2 C24 H19 N4 O4 InChI=1S/C24H18N4O4/c1-32
    -19-9-6-17-13-28(21(29)20
    (17)11-19)14-24(22(30)26-
    23(31)27-24)18-7-4-15(5-8
    -18)16-3-2-10-25-12-16/h2
    -13H,14H2,1H3,(H-,26,27,3
    0,31)/p+1/t24-/m0/s1;
    IPWWTFLYEBQOPS-DEOSSOPVSA-O    		 COc1ccc2c(c1)C(=O)[N+](=C2)CC3(C(=O)NC(=
    O)N3)c4ccc(cc4)c5cccnc5; COc1ccc2c(c1)C(
    =O)[N+](=C2)C[C@@]3(C(=O)NC(=O)N3)c4ccc(
    cc4)c5cccnc5; COc1ccc2C=[N+](C[C]3(NC(=O
    )NC3=O)c4ccc(cc4)c5cccnc5)C(=O)c2c1; COc
    1ccc2C=[N+](C[C@]3(NC(=O)NC3=O)c4ccc(cc4
    )c5cccnc5)C(=O)c2c1    		 2-{[(4R)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1H-isoindolium;
    N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE
    49067 Z94
    ZINC000039334731    		 1 C11 H11 N3 O3 InChI=1S/C11H11N3O3/c1-6(
    15)12-8-4-2-7(3-5-8)9-10(
    16)14-11(17)13-9/h2-5,9H,
    1H3,(H,12,15)(H2,13,14,16
    ,17)/t9-/m0/s1;
    GUTQNQMNYWTMBT-VIFPVBQESA-N    		 CC(=O)Nc1ccc(cc1)[CH]2NC(=O)NC2=O; CC(=O
    )Nc1ccc(cc1)[C@H]2C(=O)NC(=O)N2; CC(=O)N
    c1ccc(cc1)[C@@H]2NC(=O)NC2=O; CC(=O)Nc1c
    cc(cc1)C2C(=O)NC(=O)N2    		 N-{4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl}acetamide;
    2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID
    49068 Z96
    CHEMBL601202
    ZINC000044460009    		 1 C28 H32 Cl N5 O3 InChI=1S/C28H32ClN5O3/c1-
    28(2,3)37-27(36)34-12-10-
    33(11-13-34)25-20-8-7-19(
    29)15-21(20)22(14-18-6-5-
    9-31-24(18)25)26(35)23-16
    -30-17-32(23)4/h5-9,14-17
    ,25-26,35H,10-13H2,1-4H3/
    t25-,26+/m0/s1;
    YZFYPECRJZGSGJ-IZZNHLLZSA-N    		 CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3C(=Cc
    4c2nccc4)C(c5cncn5C)O)Cl; CC(C)(C)OC(=O)
    N1CCN(CC1)[C@H]2c3ccc(cc3C(=Cc4c2nccc4)[
    C@H](c5cncn5C)O)Cl; Cn1cncc1[CH](O)C2=Cc
    3cccnc3[CH](N4CCN(CC4)C(=O)OC(C)(C)C)c5c
    cc(Cl)cc25; Cn1cncc1[C@H](O)C2=Cc3cccnc3
    [C@@H](N4CCN(CC4)C(=O)OC(C)(C)C)c5ccc(Cl
    )cc25    		 tert-butyl 4-{(11S)-8-chloro-6-[(R)-hydroxy(1-methyl-1H-imidazol-5-yl)methyl]-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl}piperazine-1-carboxylate;
    1,1-DIMETHYLETHYL 4-[8-CHLORO-6-[HYDROXY(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-11H-BENZO[5,6]CYCLOHEPTA[1,2-b]PYRIDIN-11(S)-YL]-1-PIPERAZINECARBOXYLATE
    49069 Z97
    ZINC000058651042    		 8 C13 H20 N3 O7 P InChI=1S/C13H20N3O7P/c1-8
    -12(17)10(6-15-4-2-3-11(1
    4)13(18)19)9(5-16-8)7-23-
    24(20,21)22/h5-6,11,17H,2
    -4,7,14H2,1H3,(H,18,19)(H
    2,20,21,22)/b15-6+/t11-/m
    0/s1;
    RMKYDMCVWSLEGI-DMSFABOWSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=NCCC[CH](N)C(O)
    =O)c1O; Cc1ncc(CO[P](O)(O)=O)c(C=NCCC[C@
    H](N)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)
    O)C=NCCCC(C(=O)O)N)O; Cc1c(c(c(cn1)COP(=
    O)(O)O)/C=N/CCC[C@@H](C(=O)O)N)O    		 (E)-N~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-ornithine
    49070 Z98
    ZINC000058649364    		 8 C12 H18 N3 O7 P InChI=1S/C12H18N3O7P/c1-7
    -11(16)9(5-14-3-2-10(13)1
    2(17)18)8(4-15-7)6-22-23(
    19,20)21/h4-5,10,16H,2-3,
    6,13H2,1H3,(H,17,18)(H2,1
    9,20,21)/b14-5-/t10-/m0/s
    1;
    BBWBZEWRKQXPMM-YXBHYIBOSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCC(C(=O)O)N
    )O; Cc1ncc(CO[P](O)(O)=O)c(C=NCC[CH](N)C
    (O)=O)c1O; Cc1ncc(CO[P](O)(O)=O)c(C=NCC[
    C@H](N)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(
    O)O)/C=N\CC[C@@H](C(=O)O)N)O    		 (2S)-2-amino-4-{[(1Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}butanoic acid
    49071 Z99
    CHEMBL432038
    ZINC000003826602    		 32 C20 H19 N O5 InChI=1S/C20H19NO5/c21-20
    (19(24)25,15-9-13(15)18(2
    2)23)10-14-11-5-1-3-7-16(
    11)26-17-8-4-2-6-12(14)17
    /h1-8,13-15H,9-10,21H2,(H
    ,22,23)(H,24,25)/t13-,15-
    ,20-/m0/s1;
    VLZBRVJVCCNPRJ-KPHUOKFYSA-N    		 c1ccc2c(c1)C(c3ccccc3O2)C[C@]([C@H]4C[C@
    @H]4C(=O)O)(C(=O)O)N; N[C@@](CC1c2ccccc2
    Oc3ccccc13)([C@H]4C[C@@H]4C(O)=O)C(O)=O;
    c1ccc2c(c1)C(c3ccccc3O2)CC(C4CC4C(=O)O)
    (C(=O)O)N; N[C](CC1c2ccccc2Oc3ccccc13)([
    CH]4C[CH]4C(O)=O)C(O)=O    		 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine;
    (1S,2S)-2-[(2S)-2-amino-1-hydroxy-1-oxo-3-(9H-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid
    49072 Z9A 1 C18 H24 Br N3 O5 InChI=1S/C18H24BrN3O5/c1-
    11(18(26)27-2)21-17(25)14
    (10-15(20)23)22-16(24)5-3
    -4-12-6-8-13(19)9-7-12/h6
    -9,11,14H,3-5,10H2,1-2H3,
    (H2,20,23)(H,21,25)(H,22,
    24)/t11-,14+/m0/s1;
    UMJYMQGCXBKOHD-SMDDNHRTSA-N    		 COC(=O)[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=
    O)CCCc1ccc(Br)cc1; C[C@@H](C(=O)OC)NC(=O
    )[C@@H](CC(=O)N)NC(=O)CCCc1ccc(cc1)Br; C
    C(C(=O)OC)NC(=O)C(CC(=O)N)NC(=O)CCCc1ccc
    (cc1)Br; COC(=O)[CH](C)NC(=O)[CH](CC(N)=
    O)NC(=O)CCCc1ccc(Br)cc1; Brc1ccc(CCCC(=O
    )NC(CC(N)=O)C(=O)NC(C)C(=O)OC)cc1    		 methyl N~2~-[4-(4-bromophenyl)butanoyl]-D-asparaginyl-L-alaninate
    49073 Z9D
    ZINC000005851334    		 1 C6 H12 O5 InChI=1S/C6H12O5/c7-2-3-1
    -4(8)5(9)6(10)11-3/h3-10H
    ,1-2H2/t3-,4-,5+,6+/m0/s1;
    HDEMQQHXNOJATE-UNTFVMJOSA-N    		 C1C(OC(C(C1O)O)O)CO; OC[CH]1C[CH](O)[CH]
    (O)[CH](O)O1; C1[C@H](O[C@H]([C@@H]([C@H
    ]1O)O)O)CO; OC[C@@H]1C[C@H](O)[C@@H](O)[
    C@H](O)O1; OC1CC(OC(O)C1O)CO    		 4-deoxy-beta-D-xylo-hexopyranose
    49074 Z9E
    ZINC000013545755    		 1 C6 H12 O5 S InChI=1S/C6H12O5S/c7-1-2-
    3(8)4(9)5(10)6(12)11-2/h2
    -10,12H,1H2/t2-,3-,4+,5-,
    6-/m1/s1;
    JUSMHIGDXPKSID-VFUOTHLCSA-N    		 OC[C@H]1O[C@H](S)[C@H](O)[C@@H](O)[C@@H]
    1O; OC1C(O)C(OC(S)C1O)CO; C(C1C(C(C(C(O1
    )S)O)O)O)O; C([C@@H]1[C@H]([C@@H]([C@H](
    [C@H](O1)S)O)O)O)O; OC[CH]1O[CH](S)[CH](
    O)[CH](O)[CH]1O    		 1-thio-alpha-D-glucopyranose
    49075 Z9G 1 C14 H17 Br N2 O4 InChI=1S/C14H17BrN2O4/c15
    -10-6-4-9(5-7-10)2-1-3-13
    (19)17-11(14(20)21)8-12(1
    6)18/h4-7,11H,1-3,8H2,(H2
    ,16,18)(H,17,19)(H,20,21)
    /t11-/m1/s1;
    VRZHKETUQBKIPG-LLVKDONJSA-N    		 NC(=O)C[CH](NC(=O)CCCc1ccc(Br)cc1)C(O)=O
    ; c1cc(ccc1CCCC(=O)N[C@H](CC(=O)N)C(=O)O
    )Br; Brc1ccc(CCCC(=O)NC(CC(N)=O)C(=O)O)c
    c1; NC(=O)C[C@@H](NC(=O)CCCc1ccc(Br)cc1)
    C(O)=O; c1cc(ccc1CCCC(=O)NC(CC(=O)N)C(=O
    )O)Br    		 N~2~-[4-(4-bromophenyl)butanoyl]-D-asparagine
    49076 Z9H 7 C8 H16 O12 S2 InChI=1S/C8H16O12S2/c1-16
    -5-4(3-18-21(10,11)12)19-
    8(9)7(6(5)17-2)20-22(13,1
    4)15/h4-9H,3H2,1-2H3,(H,1
    0,11,12)(H,13,14,15)/t4-,
    5-,6+,7-,8+/m1/s1;
    KXJTXUUGBKCQJT-CBQIKETKSA-N    		 CO[CH]1[CH](CO[S](O)(=O)=O)O[CH](O)[CH](
    O[S](O)(=O)=O)[CH]1OC; CO[C@@H]1[C@@H](C
    O[S](O)(=O)=O)O[C@H](O)[C@H](O[S](O)(=O)
    =O)[C@H]1OC; CO[C@@H]1[C@H](O[C@@H]([C@@
    H]([C@H]1OC)OS(=O)(=O)O)O)COS(=O)(=O)O;
    O=S(=O)(O)OCC1OC(O)C(OS(=O)(=O)O)C(OC)C1
    OC; COC1C(OC(C(C1OC)OS(=O)(=O)O)O)COS(=O
    )(=O)O    		 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose
    49077 Z9I
    ZINC000082591546    		 2 C6 H14 N2 O2 S InChI=1S/C6H14N2O2S/c1-11
    (9,10)8-4-2-3-6(8)5-7/h6H
    ,2-5,7H2,1H3/t6-/m1/s1;
    RYZYXPKYSJEBDD-ZCFIWIBFSA-N    		 CS(=O)(=O)N1CCCC1CN; CS(=O)(=O)N1CCC[C@@
    H]1CN; C[S](=O)(=O)N1CCC[C@@H]1CN; NCC1C
    CCN1S(=O)(C)=O; C[S](=O)(=O)N1CCC[CH]1CN    		 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine
    49078 Z9J 0 C13 H19 N O2 S2 InChI=1S/C13H19NO2S2/c14-
    5-7-18-10-12-3-1-2-11(8-1
    2)9-17-6-4-13(15)16/h1-3,
    8H,4-7,9-10,14H2,(H,15,16
    );
    HDBIDFYDMNICRF-UHFFFAOYSA-N    		 c1cc(cc(c1)CSCCN)CSCCC(=O)O; NCCSCc1cccc
    (CSCCC(O)=O)c1    		 3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}phenyl)methyl]sulfanyl}propanoic acid;
    3-[[3-(2-azanylethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid
    49079 Z9K 5 C7 H12 O10 S InChI=1S/C7H12O10S/c1-15-
    3-2(8)4(6(9)10)16-7(11)5(
    3)17-18(12,13)14/h2-5,7-8
    ,11H,1H3,(H,9,10)(H,12,13
    ,14)/t2-,3-,4+,5+,7+/m0/s
    1;
    ANYCAUYSISUNKI-QVVHOTIMSA-N    		 COC1C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O; CO[
    C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(
    =O)O)O)C(=O)O)O; CO[CH]1[CH](O)[CH](O[CH
    ](O)[CH]1O[S](O)(=O)=O)C(O)=O; O=C(O)C1O
    C(O)C(OS(=O)(=O)O)C(OC)C1O; CO[C@H]1[C@H
    ](O)[C@@H](O[C@@H](O)[C@@H]1O[S](O)(=O)=
    O)C(O)=O    		 3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid
    49080 Z9L 8 C7 H14 O15 S3 InChI=1S/C7H14O15S3/c1-18
    -7-6(22-25(15,16)17)5(21-
    24(12,13)14)4(8)3(20-7)2-
    19-23(9,10)11/h3-8H,2H2,1
    H3,(H,9,10,11)(H,12,13,14
    )(H,15,16,17)/t3-,4-,5+,6
    -,7+/m1/s1;
    KOFWJYYHIXJXAE-ZFYZTMLRSA-N    		 CO[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[
    C@H](O[S](O)(=O)=O)[C@H]1O[S](O)(=O)=O;
    CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO
    S(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O; CO
    [CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O[
    S](O)(=O)=O)[CH]1O[S](O)(=O)=O; O=S(=O)(
    O)OCC1OC(OC)C(OS(=O)(=O)O)C(OS(=O)(=O)O)
    C1O; COC1C(C(C(C(O1)COS(=O)(=O)O)O)OS(=O
    )(=O)O)OS(=O)(=O)O    		 methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside
    49081 Z9M
    DB02865
    ZINC000005830009    		 12 C6 H14 N O8 P InChI=1S/C6H14NO8P/c7-3-4
    (9)5(15-16(11,12)13)2(1-8
    )14-6(3)10/h2-6,8-10H,1,7
    H2,(H2,11,12,13)/t2-,3-,4
    -,5-,6-/m1/s1;
    QWDBGVNDGYUIAC-QZABAPFNSA-N    		 C(C1C(C(C(C(O1)O)N)O)OP(=O)(O)O)O; N[CH]
    1[CH](O)O[CH](CO)[CH](O[P](O)(O)=O)[CH]1
    O; N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[P](
    O)(O)=O)[C@@H]1O; C([C@@H]1[C@H]([C@@H](
    [C@H]([C@@H](O1)O)N)O)OP(=O)(O)O)O; O=P(
    O)(O)OC1C(OC(O)C(N)C1O)CO    		 2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose;
    4-O-phosphono-beta-D-glucosamine;
    2-amino-2-deoxy-4-O-phosphono-beta-D-glucose;
    2-amino-2-deoxy-4-O-phosphono-D-glucose;
    2-amino-2-deoxy-4-O-phosphono-glucose
    49082 Z9N
    CHEMBL4748482
    ZINC000003830876    		 22 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3-4
    (9)5(10)6(11,2-8)12-3/h3-
    5,7-11H,1-2H2/t3-,4-,5+,6
    +/m1/s1;
    RFSUNEUAIZKAJO-ZXXMMSQZSA-N    		 OC1C(O)C(OC1(O)CO)CO; C([C@@H]1[C@H]([C@
    @H]([C@@](O1)(CO)O)O)O)O; OC[CH]1O[C](O)
    (CO)[CH](O)[CH]1O; C(C1C(C(C(O1)(CO)O)O)
    O)O; OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H
    ]1O    		 alpha-D-fructofuranose;
    alpha-D-fructose;
    D-fructose;
    fructose
    49083 Z9W 0 C8 H15 N O5 InChI=1S/C8H15NO5/c1-3-6(
    11)7(12)5(8(13)14-3)9-4(2
    )10/h3,5-8,11-13H,1-2H3,(
    H,9,10)/t3-,5-,6-,7-,8-/m
    1/s1;
    XOCCAGJZGBCJME-PNAXYBNRSA-N    		 C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1O
    ; C[C@H]1O[C@@H](O)[C@H](NC(C)=O)[C@@H](
    O)[C@@H]1O; O=C(NC1C(O)C(O)C(OC1O)C)C; C
    [C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC
    (=O)C)O)O; CC1C(C(C(C(O1)O)NC(=O)C)O)O    		 2-acetamido-2-deoxy-beta-D-quinovopyranose;
    2-acetamido-2,6-deoxy-beta-D-glucopyranose;
    6-deoxy-N-acetyl-beta-D-glucosamine;
    N-acetyl-beta-D-quinosamine;
    2-acetamido-2-deoxy-beta-D-quinovose;
    2-acetamido-2-deoxy-D-quinovose;
    2-acetamido-2-deoxy-quinovose;
    2-(acetylamino)-2,6-dideoxy-beta-D-glucopyranose
    49084 Z9Z
    ZINC000098209657    		 1 C39 H50 N6 O4 S InChI=1S/C39H50N6O4S/c1-2
    7(2)35(44-38(47)45(5)24-3
    4-26-50-37(42-34)28(3)4)3
    6(46)41-32(21-29-13-8-6-9
    -14-29)18-19-33(22-30-15-
    10-7-11-16-30)43-39(48)49
    -25-31-17-12-20-40-23-31/
    h6-17,20,23,26-28,32-33,3
    5H,18-19,21-22,24-25H2,1-
    5H3,(H,41,46)(H,43,48)(H,
    44,47)/t32-,33+,35+/m0/s1;
    DXYIYKUZINROPB-VUHKNJSWSA-N    		 CC(C)c1nc(cs1)CN(C)C(=O)NC(C(C)C)C(=O)NC
    (CCC(Cc2ccccc2)NC(=O)OCc3cccnc3)Cc4ccccc
    4; CC(C)[CH](NC(=O)N(C)Cc1csc(n1)C(C)C)C
    (=O)N[CH](CC[CH](Cc2ccccc2)NC(=O)OCc3ccc
    nc3)Cc4ccccc4; O=C(OCc1cccnc1)NC(Cc2cccc
    c2)CCC(NC(=O)C(NC(=O)N(Cc3nc(sc3)C(C)C)C
    )C(C)C)Cc4ccccc4; CC(C)[C@@H](NC(=O)N(C)
    Cc1csc(n1)C(C)C)C(=O)N[C@@H](CC[C@H](Cc2
    ccccc2)NC(=O)OCc3cccnc3)Cc4ccccc4; CC(C)
    c1nc(cs1)CN(C)C(=O)N[C@H](C(C)C)C(=O)N[C
    @@H](CC[C@H](Cc2ccccc2)NC(=O)OCc3cccnc3)
    Cc4ccccc4    		 pyridin-3-ylmethyl [(2R,5S)-5-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-D-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
    49085 ZA2
    ZINC000199226722    		 2 C8 H10 B Cl N O4 InChI=1S/C8H10BClNO4/c10-
    7-4-2-1-3-6(7)8(12)11-5-9
    (13,14)15/h1-4,13-15H,5H2
    ,(H,11,12)/q-1;
    QHCGFAIMVLWXJG-UHFFFAOYSA-N    		 O[B-](O)(O)CNC(=O)c1ccccc1Cl; [B-](CNC(=
    O)c1ccccc1Cl)(O)(O)O    		 [(2-CHLOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON;
    2-CHLOROBENZAMIDOMETHYLBORONIC ACID
    49086 ZA3
    ZINC000199226740    		 5 C8 H10 B N2 O6 InChI=1S/C8H10BN2O6/c12-8
    (10-5-9(13,14)15)6-3-1-2-
    4-7(6)11(16)17/h1-4,13-15
    H,5H2,(H,10,12)/q-1;
    YKMUZZUWSQWVEH-UHFFFAOYSA-N    		 O[B-](O)(O)CNC(=O)c1ccccc1[N+]([O-])=O;
    [B-](CNC(=O)c1ccccc1[N+](=O)[O-])(O)(O)O    		 TRIHYDROXY-[[(2-NITROPHENYL)CARBONYLAMINO]METHYL]BORON
    49087 ZA4
    ZINC000199226759    		 1 C8 H10 B F N O4 InChI=1S/C8H10BFNO4/c10-7
    -4-2-1-3-6(7)8(12)11-5-9(
    13,14)15/h1-4,13-15H,5H2,
    (H,11,12)/q-1;
    GSERMWXQEOLTTB-UHFFFAOYSA-N    		 [B-](CNC(=O)c1ccccc1F)(O)(O)O; O[B-](O)(
    O)CNC(=O)c1ccccc1F    		 [(2-FLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
    49088 ZA5
    ZINC000199226777    		 1 C8 H9 B F2 N O4 InChI=1S/C8H9BF2NO4/c10-5
    -2-1-3-6(11)7(5)8(13)12-4
    -9(14,15)16/h1-3,14-16H,4
    H2,(H,12,13)/q-1;
    WTOJBPXTZMRWEB-UHFFFAOYSA-N    		 [B-](CNC(=O)c1c(cccc1F)F)(O)(O)O; O[B-](
    O)(O)CNC(=O)c1c(F)cccc1F    		 [(2,6-DIFLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
    49089 ZA6
    ZINC000023338508    		 1 C23 H23 N3 O S InChI=1S/C23H23N3OS/c1-17
    (20-14-9-15-28-20)26(2)16
    -21-24-23(25-27-21)22(18-
    10-5-3-6-11-18)19-12-7-4-
    8-13-19/h3-15,17,22H,16H2
    ,1-2H3/t17-/m0/s1;
    YMVZNLFSCPAPNW-KRWDZBQOSA-N    		 CC(c1cccs1)N(C)Cc2nc(no2)C(c3ccccc3)c4cc
    ccc4; C[C@@H](c1cccs1)N(C)Cc2nc(no2)C(c3
    ccccc3)c4ccccc4; C[C@H](N(C)Cc1onc(n1)C(
    c2ccccc2)c3ccccc3)c4sccc4; CC(N(C)Cc1nc(
    no1)C(c1ccccc1)c1ccccc1)c1cccs1; C[CH](N
    (C)Cc1onc(n1)C(c2ccccc2)c3ccccc3)c4sccc4    		 (1S)-N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-1-(thiophen-2-yl)ethan-1-amine
    49090 ZA9
    ZINC000033884898    		 2 C13 H16 N2 InChI=1S/C13H16N2/c1-4-11
    (10-3-2-7-14-9-10)12-6-8-
    15-13(12)5-1/h1,4-6,8,10,
    14-15H,2-3,7,9H2/t10-/m1/
    s1;
    JWMGZQMVMZBMFM-SNVBAGLBSA-N    		 c1cc(c2cc[nH]c2c1)C3CCCNC3; C1CNC[CH](C1
    )c2cccc3[nH]ccc23; C1CNC[C@@H](C1)c2cccc
    3[nH]ccc23; c1cc(c2cc[nH]c2c1)[C@@H]3CCC
    NC3; c1c[NH]c2cccc(c12)C1CCCNC1    		 4-[(3S)-piperidin-3-yl]-1H-indole
    49091 ZAA
    CHEMBL491751    		 1 C29 H26 N4 O4 InChI=1S/C29H26N4O4/c1-20
    -25(30-29(37-20)22-10-4-2
    -5-11-22)15-16-36-24-14-8
    -9-21(17-24)18-26-27(19-2
    8(34)35)32-33(31-26)23-12
    -6-3-7-13-23/h2-14,17H,15
    -16,18-19H2,1H3,(H,34,35);
    QIGYDDWEDSMCSH-UHFFFAOYSA-N    		 Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c3)Cc4c(nn
    (n4)c5ccccc5)CC(=O)O; O=C(O)Cc1nn(nc1Cc4
    cc(OCCc2nc(oc2C)c3ccccc3)ccc4)c5ccccc5;
    Cc1oc(nc1CCOc2cccc(Cc3nn(nc3CC(O)=O)c4cc
    ccc4)c2)c5ccccc5    		 (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid;
    2-(5-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)ACETIC ACID
    49092 ZAB
    ZINC000103562504    		 0 C15 H15 N3 O2 InChI=1S/C15H15N3O2/c16-1
    0-12-4-2-6-14(8-12)18-17-
    13-5-1-3-11(7-13)9-15(19)
    20/h1-8H,9-10,16H2,(H,19,
    20)/b18-17-;
    RHNJRPYVLIXHAK-ZCXUNETKSA-N    		 c1cc(cc(c1)N=Nc2cccc(c2)CN)CC(=O)O; O=C(
    O)Cc2cccc(\N=N/c1cccc(c1)CN)c2; NCc1cccc
    (c1)N=Nc2cccc(CC(O)=O)c2    		 (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID
    49093 ZAD
    ZINC000058649580    		 0 C8 H12 N5 O5 P InChI=1S/C8H12N5O5P/c9-7-
    6-8(11-3-10-7)13(4-12-6)1
    -5(14)2-18-19(15,16)17/h3
    -5,14H,1-2H2,(H2,9,10,11)
    (H2,15,16,17)/t5-/m0/s1;
    IDXHXXLVPICOPG-YFKPBYRVSA-N    		 Nc1ncnc2n(C[C@H](O)CO[P](O)(O)=O)cnc12;
    c1nc(c2c(n1)n(cn2)C[C@@H](COP(=O)(O)O)O)
    N; Nc1ncnc2n(C[CH](O)CO[P](O)(O)=O)cnc12
    ; c1nc(c2c(n1)n(cn2)CC(COP(=O)(O)O)O)N;
    O=P(O)(O)OCC(O)Cn1c2ncnc(c2nc1)N    		 (S)-1'-(2',3'-DIHYDROXYPROPYL)-ADENINE
    49094 ZAE
    ZINC000012954903    		 0 C10 H13 N O2 InChI=1S/C10H13NO2/c1-11-
    9(10(12)13)7-8-5-3-2-4-6-
    8/h2-6,9,11H,7H2,1H3,(H,1
    2,13)/t9-/m1/s1;
    SCIFESDRCALIIM-SECBINFHSA-N    		 CNC(Cc1ccccc1)C(=O)O; CN[C@H](Cc1ccccc1)
    C(=O)O; CN[C@H](Cc1ccccc1)C(O)=O; CN[CH]
    (Cc1ccccc1)C(O)=O; O=C(O)C(NC)Cc1ccccc1    		 N-methyl-D-phenylalanine
    49095 ZAF
    DB08762
    ZINC000039313129    		 1 C22 H27 N2 O8 P InChI=1S/C22H27N2O8P/c1-1
    5(23-22(28)31-14-18-11-7-
    4-8-12-18)20(25)24-16(2)3
    3(29,30)32-19(21(26)27)13
    -17-9-5-3-6-10-17/h3-12,1
    5-16,19H,13-14H2,1-2H3,(H
    ,23,28)(H,24,25)(H,26,27)
    (H,29,30)/t15-,16+,19-/m0
    /s1;
    UPJNMOBJDSFRTI-FCEWJHQRSA-N    		 C[C@@H](C(=O)N[C@@H](C)[P@@](=O)(O)O[C@@
    H](Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2; C[
    C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)[P@
    ](O)(=O)O[C@@H](Cc2ccccc2)C(O)=O; O=C(O)
    C(OP(=O)(O)C(NC(=O)C(NC(=O)OCc1ccccc1)C)
    C)Cc2ccccc2; C[CH](NC(=O)OCc1ccccc1)C(=O
    )N[CH](C)[P](O)(=O)O[CH](Cc2ccccc2)C(O)=
    O; CC(C(=O)NC(C)P(=O)(O)OC(Cc1ccccc1)C(=
    O)O)NC(=O)OCc2ccccc2    		 O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC ACID
    49096 ZAH
    DB04033
    ZINC000001575977    		 4 C16 H20 N2 O5 InChI=1S/C16H20N2O5/c1-11
    (14(19)18-9-5-8-13(18)15(
    20)21)17-16(22)23-10-12-6
    -3-2-4-7-12/h2-4,6-7,11,1
    3H,5,8-10H2,1H3,(H,17,22)
    (H,20,21)/t11-,13-/m0/s1;
    RSSOZTMMMIWOJB-AAEUAGOBSA-N    		 CC(C(=O)N1CCCC1C(=O)O)NC(=O)OCc2ccccc2;
    C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCc
    2ccccc2; C[CH](NC(=O)OCc1ccccc1)C(=O)N2C
    CC[CH]2C(O)=O; C[C@H](NC(=O)OCc1ccccc1)C
    (=O)N2CCC[C@H]2C(O)=O; O=C(O)C2N(C(=O)C(
    NC(=O)OCc1ccccc1)C)CCC2    		 N-[(BENZYLOXY)CARBONYL]-L-ALANYL-L-PROLINE;
    Z-ALA PROLINAL
    49097 ZAI 0 C17 H29 N4 O9 P S InChI=1S/C17H29N4O9PS/c1-
    9-14(22)13(10(6-20-9)7-30
    -31(27,28)29)15(21-12(8-3
    2)17(25)26)19-5-3-2-4-11(
    18)16(23)24/h6,11-12,15,1
    9,21-22,32H,2-5,7-8,18H2,
    1H3,(H,23,24)(H,25,26)(H2
    ,27,28,29)/t11-,12+,15+/m
    0/s1;
    ZOOIRKLCYJDYSX-YWPYICTPSA-N    		 Cc1ncc(CO[P](O)(O)=O)c([C@H](NCCCC[C@H](
    N)C(O)=O)N[C@H](CS)C(O)=O)c1O; Cc1c(c(c(
    cn1)COP(=O)(O)O)[C@H](NCCCC[C@@H](C(=O)O
    )N)N[C@H](CS)C(=O)O)O; Cc1ncc(CO[P](O)(O
    )=O)c([CH](NCCCC[CH](N)C(O)=O)N[CH](CS)C
    (O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)C(NC
    CCCC(C(=O)O)N)NC(CS)C(=O)O)O    		 (2~{S})-2-azanyl-6-[[(~{R})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-[[(2~{S})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]methyl]amino]hexanoic acid
    49098 ZAL
    CHEMBL441123
    ZINC000012502778    		 0 C9 H17 N O2 InChI=1S/C9H17NO2/c10-8(9
    (11)12)6-7-4-2-1-3-5-7/h7
    -8H,1-6,10H2,(H,11,12)/t8
    -/m1/s1;
    ORQXBVXKBGUSBA-MRVPVSSYSA-N    		 N[C@H](CC1CCCCC1)C(O)=O; O=C(O)C(N)CC1CC
    CCC1; C1CCC(CC1)CC(C(=O)O)N; N[CH](CC1CC
    CCC1)C(O)=O; C1CCC(CC1)C[C@H](C(=O)O)N    		 3-cyclohexyl-D-alanine
    49099 ZAM
    CHEMBL109420
    DB03534
    ZINC000000591143    		 2 C22 H26 N4 O2 InChI=1S/C22H26N4O2/c1-15
    (27)24(2)13-18-11-17(9-10
    -20(18)23)22(28)25(3)14-1
    9-12-16-7-5-6-8-21(16)26(
    19)4/h5-12H,13-14,23H2,1-
    4H3;
    AWTBJNJPBKTHEV-UHFFFAOYSA-N    		 CN(Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C)
    C(C)=O; CC(=O)N(C)Cc1cc(ccc1N)C(=O)N(C)C
    c2cc3ccccc3n2C; O=C(N(C)Cc1c(N)ccc(c1)C(
    =O)N(C)Cc3cc2ccccc2n3C)C    		 3-[(ACETYL-METHYL-AMINO)-METHYL]-4-AMINO-N-METHYL-N-(1-METHYL-1H-INDOL-2-YLMETHYL)-BENZAMIDE
    49100 ZAN
    ZINC000034177510    		 19 C10 H17 N6 O12 P3 InChI=1S/C10H17N6O12P3/c1
    1-8-5-9(13-2-12-8)16(3-14
    -5)10-7(18)6(17)4(27-10)1
    -26-29(19,20)15-30(21,22)
    28-31(23,24)25/h2-4,6-7,1
    0,17-18H,1H2,(H2,11,12,13
    )(H2,23,24,25)(H3,15,19,2
    0,21,22)/t4-,6-,7-,10-/m1
    /s1;
    WUPFAKUEHUVIDK-KQYNXXCUSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O
    )N; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)
    (NP(=O)(O)OP(=O)(O)O)O)O)O)N; Nc1ncnc2n(
    cnc12)[C@@H]3O[C@H](CO[P](O)(=O)N[P](O)(
    =O)O[P](O)(O)=O)[C@@H](O)[C@H]3O; Nc1ncn
    c2n(cnc12)[CH]3O[CH](CO[P](O)(=O)N[P](O)
    (=O)O[P](O)(O)=O)[CH](O)[CH]3O; O=P(O)(O
    )OP(=O)(O)NP(=O)(O)OCC3OC(n2cnc1c(ncnc12
    )N)C(O)C3O    		 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine
    49101 ZAP
    DB08763
    ZINC000031260847    		 2 C16 H18 N3 O5 P InChI=1S/C16H18N3O5P/c17-
    14(18)12-6-8-13(9-7-12)15
    (25(21,22)23)19-16(20)24-
    10-11-4-2-1-3-5-11/h1-9,1
    5H,10H2,(H3,17,18)(H,19,2
    0)(H2,21,22,23)/t15-/m1/s
    1;
    FSNDLCSOLUMYRH-OAHLLOKOSA-N    		 NC(=N)c1ccc(cc1)[C@H](NC(=O)OCc2ccccc2)[
    P](O)(O)=O; [H]/N=C(\c1ccc(cc1)[C@H](NC(
    =O)OCc2ccccc2)P(=O)(O)O)/N; O=P(O)(O)C(c
    1ccc(C(=[N@H])N)cc1)NC(=O)OCc2ccccc2; NC
    (=N)c1ccc(cc1)[CH](NC(=O)OCc2ccccc2)[P](
    O)(O)=O; [H]N=C(c1ccc(cc1)C(NC(=O)OCc2cc
    ccc2)P(=O)(O)O)N    		 [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE;
    Z-AMIDINOPHENYLMETHANE-PHOSPHONATE
    49102 ZAR
    CHEMBL313842
    DB02918
    ZINC000009230249    		 14 C12 H10 F2 N2 O3 InChI=1S/C12H10F2N2O3/c1-
    18-10-6-7(2-4-9(10)19-12(
    13)14)8-3-5-11(17)16-15-8
    /h2-6,12H,1H3,(H,16,17);
    HJMQDJPMQIHLPB-UHFFFAOYSA-N    		 O=C1C=CC(=NN1)c2cc(OC)c(OC(F)F)cc2; COc1
    cc(ccc1OC(F)F)C2=NNC(=O)C=C2    		 6-(4-DIFLUOROMETHOXY-3-METHOXY-PHENYL)-2H-PYRIDAZIN-3-ONE
    49103 ZAS
    CHEMBL232751
    ZINC000013542741    		 3 C10 H12 N8 O3 InChI=1S/C10H12N8O3/c11-8
    -5-9(14-2-13-8)18(3-15-5)
    10-7(20)6(19)4(21-10)1-16
    -17-12/h2-4,6-7,10,19-20H
    ,1H2,(H2,11,13,14)/t4-,6-
    ,7-,10-/m1/s1;
    SKWSYTVBPHWKHX-KQYNXXCUSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CN=[N+]=[N-])O)O)N; Nc1ncnc2n(cnc
    12)[C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[
    C@H]3O; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN=
    [N+]=[N-])O)O)N; Nc1ncnc2n(cnc12)[CH]3O[
    CH](CN=[N+]=[N-])[CH](O)[CH]3O; Nc1ncnc2
    c1ncn2C1OC(C/N=[N+]=[N-])C(O)C1O    		 5'-azido-5'-deoxyadenosine
    49104 ZAT
    CHEMBL142485
    ZINC000013981739    		 1 C19 H24 N10 O InChI=1S/C19H24N10O/c1-11
    (26-28-17(20)21)13-3-7-15
    (8-4-13)24-19(30)25-16-9-
    5-14(6-10-16)12(2)27-29-1
    8(22)23/h3-10H,1-2H3,(H4,
    20,21,28)(H4,22,23,29)(H2
    ,24,25,30)/b26-11+,27-12+;
    HCAQGQIHBFVVIX-LYXAAFRTSA-N    		 CC(=NNC(N)=N)c1ccc(NC(=O)Nc2ccc(cc2)C(C)
    =NNC(N)=N)cc1; C\C(=N/NC(N)=N)c1ccc(NC(=
    O)Nc2ccc(cc2)\C(C)=N\NC(N)=N)cc1; O=C(Nc
    1ccc(cc1)\C(=N\NC(=[N@H])N)C)Nc2ccc(\C(=
    N\NC(=[N@H])N)C)cc2; [H]N=C(N)NN=C(C)c1c
    cc(cc1)NC(=O)Nc2ccc(cc2)C(=NNC(=N[H])N)C
    ; [H]/N=C(\N)/N/N=C(\C)/c1ccc(cc1)NC(=O)
    Nc2ccc(cc2)/C(=N/N/C(=N/[H])/N)/C    		 4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)
    49105 ZAW
    CHEMBL1604922
    ZINC000000346100    		 0 C11 H8 N2 O InChI=1S/C11H8N2O/c14-11(
    9-3-1-5-12-7-9)10-4-2-6-1
    3-8-10/h1-8H;
    AQLPDLOXKZRZEV-UHFFFAOYSA-N    		 c1cc(cnc1)C(=O)c2cccnc2; O=C(c1cccnc1)c2
    cccnc2    		 di(pyridin-3-yl)methanone
    49106 ZAZ
    ZINC000001702866    		 1 C11 H22 O InChI=1S/C11H22O/c12-10-6
    -2-5-9-11-7-3-1-4-8-11/h1
    1-12H,1-10H2;
    DOUCFSUZXLHVHJ-UHFFFAOYSA-N    		 C1CCC(CC1)CCCCCO; OCCCCCC1CCCCC1 5-cyclohexylpentan-1-ol
    49107 ZB0 1 C8 H16 O6 InChI=1S/C8H16O6/c1-12-6-
    5(10)4(3-9)14-8(11)7(6)13
    -2/h4-11H,3H2,1-2H3/t4-,5
    -,6+,7-,8+/m1/s1;
    SQYIWHJCOMWKNU-CBQIKETKSA-N    		 CO[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@
    H]1OC; O(C)C1C(OC)C(O)C(OC1O)CO; CO[CH]1
    [CH](O)O[CH](CO)[CH](O)[CH]1OC; COC1C(C(
    OC(C1OC)O)CO)O; CO[C@H]1[C@@H]([C@H](O[C
    @@H]([C@@H]1OC)O)CO)O    		 2,3-di-O-methyl-alpha-D-glucopyranose
    49108 ZB1
    ZINC000003861772    		 5 C7 H14 O6 InChI=1S/C7H14O6/c1-12-6-
    4(9)3(2-8)13-7(11)5(6)10/
    h3-11H,2H2,1H3/t3-,4-,5-,
    6+,7+/m1/s1;
    SCBBSJMAPKXHAH-OVHBTUCOSA-N    		 CO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@
    H]1O; COC1C(C(OC(C1O)O)CO)O; CO[C@H]1[C@
    @H]([C@H](O[C@@H]([C@@H]1O)O)CO)O; CO[CH
    ]1[CH](O)[CH](O)O[CH](CO)[CH]1O; O(C1C(O
    )C(OC(O)C1O)CO)C    		 3-O-methyl-alpha-D-glucopyranose
    49109 ZB2
    ZINC000034191099    		 0 C7 H14 O6 InChI=1S/C7H14O6/c1-12-6-
    5(10)4(9)3(2-8)13-7(6)11/
    h3-11H,2H2,1H3/t3-,4-,5+,
    6-,7+/m1/s1;
    UMPNFVHHMOSNAC-ZFYZTMLRSA-N    		 CO[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O; CO
    [C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O
    )O; O(C)C1C(O)C(O)C(OC1O)CO; COC1C(C(C(O
    C1O)CO)O)O; CO[C@H]1[C@@H](O)O[C@H](CO)[
    C@@H](O)[C@@H]1O    		 2-O-methyl-alpha-D-glucopyranose
    49110 ZB3 0 C8 H16 O6 InChI=1S/C8H16O6/c1-12-3-
    4-5(9)6(10)7(13-2)8(11)14
    -4/h4-11H,3H2,1-2H3/t4-,5
    -,6+,7-,8+/m1/s1;
    CJUQCEZPMNQPIV-CBQIKETKSA-N    		 O(C)C1C(O)C(O)C(OC1O)COC; COC[CH]1O[CH](
    O)[CH](OC)[CH](O)[CH]1O; COC[C@H]1O[C@H]
    (O)[C@H](OC)[C@@H](O)[C@@H]1O; COCC1C(C(
    C(C(O1)O)OC)O)O; COC[C@@H]1[C@H]([C@@H](
    [C@H]([C@H](O1)O)OC)O)O    		 2,6-di-O-methyl-alpha-D-glucopyranose
    49111 ZB4
    CHEMBL4856175
    ZINC000058085799    		 32 C23 H31 N3 O3 S InChI=1S/C23H31N3O3S/c1-2
    9-23-14-8-7-13-22(23)26-1
    7-15-25(16-18-26)21-12-6-
    5-11-20(21)24-30(27,28)19
    -9-3-2-4-10-19/h2-4,7-10,
    13-14,20-21,24H,5-6,11-12
    ,15-18H2,1H3/t20-,21-/m0/
    s1;
    OVTXOMMQHRIKGL-SFTDATJTSA-N    		 COc1ccccc1N2CCN(CC2)C3CCCCC3NS(=O)(=O)c4
    ccccc4; COc1ccccc1N2CCN(CC2)[C@H]3CCCC[C
    @@H]3NS(=O)(=O)c4ccccc4; COc1ccccc1N2CCN
    (CC2)[CH]3CCCC[CH]3N[S](=O)(=O)c4ccccc4;
    O=S(=O)(NC1CCCCC1N1CCN(CC1)c1ccccc1OC)c
    1ccccc1; COc1ccccc1N2CCN(CC2)[C@H]3CCCC[
    C@@H]3N[S](=O)(=O)c4ccccc4    		 N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide
    49112 ZB6
    ZINC000000235512    		 1 C10 H17 N O3 S InChI=1S/C10H17NO3S/c1-7-
    3-2-4-8(10(13)14)11(7)9(1
    2)5-6-15/h7-8,15H,2-6H2,1
    H3,(H,13,14)/t7-,8-/m1/s1;
    UHIOKYGCFGNNCU-HTQZYQBOSA-N    		 C[C@@H]1CCC[C@@H](N1C(=O)CCS)C(=O)O; CC1
    CCCC(N1C(=O)CCS)C(=O)O; O=C(N1C(C(=O)O)C
    CCC1C)CCS; C[CH]1CCC[CH](N1C(=O)CCS)C(O)
    =O; C[C@@H]1CCC[C@@H](N1C(=O)CCS)C(O)=O    		 (2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid
    49113 ZB9
    CHEMBL5276931    		 1 C20 H22 Cl2 N6 O InChI=1S/C20H22Cl2N6O/c1-
    27(20-17-4-5-23-19(17)25-
    12-26-20)16-3-2-6-28(11-1
    6)18(29)10-24-15-8-13(21)
    7-14(22)9-15/h4-5,7-9,12,
    16,24H,2-3,6,10-11H2,1H3,
    (H,23,25,26)/t16-/m1/s1;
    RXWBGONJVWQVFN-MRXNPFEDSA-N    		 CN([CH]1CCCN(C1)C(=O)CNc2cc(Cl)cc(Cl)c2)
    c3ncnc4[nH]ccc34; CN([C@@H]1CCCN(C1)C(=O
    )CNc2cc(Cl)cc(Cl)c2)c3ncnc4[nH]ccc34; CN
    (c1c2cc[nH]c2ncn1)[C@@H]3CCCN(C3)C(=O)CN
    c4cc(cc(c4)Cl)Cl; O=C(CNc1cc(Cl)cc(Cl)c1
    )N1CCCC(C1)N(C)c1ncnc2[NH]ccc21; CN(c1c2
    cc[nH]c2ncn1)C3CCCN(C3)C(=O)CNc4cc(cc(c4
    )Cl)Cl    		 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}ethan-1-one
    49114 ZBA
    ZINC000058649583    		 5 C24 H32 O9 InChI=1S/C24H32O9/c1-12(2
    )7-18(27)32-16-9-23(10-29
    -14(4)25)17(8-13(16)3)33-
    21-19(28)20(31-15(5)26)22
    (23,6)24(21)11-30-24/h8,1
    6-17,19-21,28H,1,7,9-11H2
    ,2-6H3/t16-,17+,19+,20+,2
    1+,22+,23+,24-/m0/s1;
    JESYGVLQSIZOBZ-QYWOHJEZSA-N    		 CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(=C)C)(
    [C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O
    )OC(=O)C)C)COC(=O)C; O=C(OC4C(=CC3OC2C1(
    OC1)C(C(OC(=O)C)C2O)(C)C3(COC(=O)C)C4)C)
    CC(=C)\C; CC(=C)CC(=O)O[C@H]1C[C@@]2(COC
    (C)=O)[C@H](O[C@@H]3[C@H](O)[C@@H](OC(C)
    =O)[C@@]2(C)[C@]34CO4)C=C1C; CC(=C)CC(=O
    )O[CH]1C[C]2(COC(C)=O)[CH](O[CH]3[CH](O)
    [CH](OC(C)=O)[C]2(C)[C]34CO4)C=C1C; CC1=
    CC2C(CC1OC(=O)CC(=C)C)(C3(C(C(C(C34CO4)O
    2)O)OC(=O)C)C)COC(=O)C    		 12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate
    49115 ZBC
    ZINC000058649731    		 0 C7 H11 Br N3 O6 P InChI=1S/C7H11BrN3O6P/c8-
    5-2-11(7(13)10-6(5)9)1-4(
    12)3-17-18(14,15)16/h2,4,
    12H,1,3H2,(H2,9,10,13)(H2
    ,14,15,16)/t4-/m0/s1;
    VBQHVDIFDLFEIT-BYPYZUCNSA-N    		 C1=C(C(=NC(=O)N1C[C@@H](COP(=O)(O)O)O)N)
    Br; NC1=NC(=O)N(C[CH](O)CO[P](O)(O)=O)C=
    C1Br; C1=C(C(=NC(=O)N1CC(COP(=O)(O)O)O)N
    )Br; O=C1N=C(C(Br)=CN1CC(O)COP(=O)(O)O)N
    ; NC1=NC(=O)N(C[C@H](O)CO[P](O)(O)=O)C=C
    1Br    		 (2S)-3-(4-AMINO-5-BROMO-2-OXOPYRIMIDIN-1(2H)-YL)-2-HYDROXYPROPYL DIHYDROGEN PHOSPHATE
    49116 ZBD
    ZINC000231374928    		 1 C25 H29 F6 N3 O5 S InChI=1S/C25H29F6N3O5S/c1
    -17(13-15-35)32(2)22(36)8
    -5-14-33-20-6-3-4-7-21(20
    )34(40(33,38)39)16-18-9-1
    1-19(12-10-18)23(37,24(26
    ,27)28)25(29,30)31/h3-4,6
    -7,9-12,17,35,37H,5,8,13-
    16H2,1-2H3/t17-/m1/s1;
    SULHDXFOLGGHOR-QGZVFWFLSA-N    		 C[CH](CCO)N(C)C(=O)CCCN1c2ccccc2N(Cc3ccc
    (cc3)C(O)(C(F)(F)F)C(F)(F)F)[S]1(=O)=O;
    C[C@H](CCO)N(C)C(=O)CCCN1c2ccccc2N(Cc3cc
    c(cc3)C(O)(C(F)(F)F)C(F)(F)F)[S]1(=O)=O;
    C[C@H](CCO)N(C)C(=O)CCCN1c2ccccc2N(S1(=
    O)=O)Cc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O;
    N2(c1ccccc1N(S2(=O)=O)CCCC(N(C(C)CCO)C)=
    O)Cc3ccc(cc3)C(C(F)(F)F)(O)C(F)(F)F; CC(
    CCO)N(C)C(=O)CCCN1c2ccccc2N(S1(=O)=O)Cc3
    ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O    		 4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl}-N-[(2R)-4-hydroxybutan-2-yl]-N-methylbutanamide
    49117 ZBF
    CHEMBL4436073
    ZINC000210264517    		 4 C20 H24 N4 O8 InChI=1S/C20H24N4O8/c1-2-
    12-4-3-5-13(10-12)24(32)1
    7(26)9-7-15(19(29)22-11-1
    8(27)28)23-16(25)8-6-14(2
    1)20(30)31/h1,3-5,10,14-1
    5,32H,6-9,11,21H2,(H,22,2
    9)(H,23,25)(H,27,28)(H,30
    ,31)/t14-,15-/m0/s1;
    DNHXPPJCZZCCCC-GJZGRUSLSA-N    		 C#Cc1cccc(c1)N(C(=O)CCC(C(=O)NCC(=O)O)NC
    (=O)CCC(C(=O)O)N)O; N[CH](CCC(=O)N[CH](C
    CC(=O)N(O)c1cccc(c1)C#C)C(=O)NCC(O)=O)C(
    O)=O; N[C@@H](CCC(=O)N[C@@H](CCC(=O)N(O)
    c1cccc(c1)C#C)C(=O)NCC(O)=O)C(O)=O; C#Cc
    1cccc(c1)N(C(=O)CC[C@@H](C(=O)NCC(=O)O)N
    C(=O)CC[C@@H](C(=O)O)N)O; O=C(O)C(N)CCC(
    =O)NC(C(=O)NCC(=O)O)CCC(=O)N(O)c1cc(C#C)
    ccc1    		 L-gamma-glutamyl-N-(3-ethynylphenyl)-N-hydroxy-L-glutaminylglycine
    49118 ZBH
    ZINC000170689220    		 0 C10 H14 N2 O S InChI=1S/C10H14N2OS/c1-6-
    12-9-7(10(13)11-2)4-3-5-8
    (9)14-6/h7H,3-5H2,1-2H3,(
    H,11,13)/t7-/m0/s1;
    VHNBWPBVIQVVTE-ZETCQYMHSA-N    		 Cc1nc2c(s1)CCC[C@@H]2C(=O)NC; CNC(=O)[CH
    ]1CCCc2sc(C)nc12; Cc1nc2c(s1)CCCC2C(=O)N
    C; CNC(=O)[C@H]1CCCc2sc(C)nc12; CNC(=O)C
    1CCCc2sc(C)nc21    		 (4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
    49119 ZBL 1 C25 H27 Cl N2 O7 InChI=1S/C25H27ClN2O7/c26
    -15-3-4-17-13(9-15)1-2-14
    -10-16(29)11-27-19(14)18(
    17)12-5-7-28(8-6-12)24-22
    (32)20(30)21(31)23(35-24)
    25(33)34/h3-4,9-11,20-24,
    29-32H,1-2,5-8H2,(H,33,34
    )/t20-,21-,22+,23-,24+/m0
    /s1;
    ABXRQJRQHLGUBH-OSFFKXSWSA-N    		 c1cc2c(cc1Cl)CCc3cc(cnc3C2=C4CCN(CC4)[C@
    H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O
    )O)O)O; c1cc2c(cc1Cl)CCc3cc(cnc3C2=C4CCN
    (CC4)C5C(C(C(C(O5)C(=O)O)O)O)O)O; O[C@@H
    ]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O
    )N2CC\C(CC2)=C3/c4ccc(Cl)cc4CCc5cc(O)cnc
    35; O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=
    O)N2CCC(CC2)=C3c4ccc(Cl)cc4CCc5cc(O)cnc3
    5; Clc1cc2CCc3cc(O)cnc3C(\c2cc1)=C1/CCN(
    CC1)C1OC(C(O)C(O)C1O)C(=O)O    		 8-chloro-11-(1-beta-D-glucopyranuronosylpiperidin-4-ylidene)-3-hydroxy-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
    49120 ZBR
    ZINC000003121805    		 0 C9 H9 Br3 InChI=1S/C9H9Br3/c10-4-7-
    1-8(5-11)3-9(2-7)6-12/h1-
    3H,4-6H2;
    GHITVUOBZBZMND-UHFFFAOYSA-N    		 c1c(cc(cc1CBr)CBr)CBr; BrCc1cc(CBr)cc(CB
    r)c1; BrCc1cc(cc(c1)CBr)CBr    		 1,3,5-tris(bromomethyl)benzene
    49121 ZBS
    CHEMBL4466771
    ZINC000219752308    		 1 C26 H26 N6 O2 S2 InChI=1S/C26H26N6O2S2/c33
    -21(14-17-8-3-1-4-9-17)27
    -25-31-29-23(35-25)19-12-
    7-13-20(16-19)24-30-32-26
    (36-24)28-22(34)15-18-10-
    5-2-6-11-18/h1-6,8-11,19-
    20H,7,12-16H2,(H,27,31,33
    )(H,28,32,34)/t19-,20-/m0
    /s1;
    CZRVPWLXPUBTMI-PMACEKPBSA-N    		 c1ccc(cc1)CC(=O)Nc2nnc(s2)[C@H]3CCC[C@@H
    ](C3)c4nnc(s4)NC(=O)Cc5ccccc5; O=C(Cc1cc
    ccc1)Nc2sc(nn2)[CH]3CCC[CH](C3)c4sc(NC(=
    O)Cc5ccccc5)nn4; c1ccc(cc1)CC(=O)Nc2nnc(
    s2)C3CCCC(C3)c4nnc(s4)NC(=O)Cc5ccccc5; O
    =C(Cc1ccccc1)Nc2sc(nn2)[C@H]3CCC[C@@H](C
    3)c4sc(NC(=O)Cc5ccccc5)nn4    		 2-phenyl-~{N}-[5-[(1~{S},3~{S})-3-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamide
    49122 ZBT
    ZINC000005924623    		 1 C7 H13 N S InChI=1S/C7H13NS/c1-3-6(2
    )7-8-4-5-9-7/h6H,3-5H2,1-
    2H3/t6-/m0/s1;
    SAWWKXMIPYUIBW-LURJTMIESA-N    		 CC[C@H](C)C1=NCCS1; CC[CH](C)C1=NCCS1; C
    CC(C)C1=NCCS1    		 2-[(1S)-1-methylpropyl]-4,5-dihydro-1,3-thiazole;
    2-sec-butyl-4,5-dihydrothiazole
    49123 ZBU
    ZINC000066156999    		 0 C7 H10 Br N2 O7 P InChI=1S/C7H10BrN2O7P/c8-
    5-2-10(7(13)9-6(5)12)1-4(
    11)3-17-18(14,15)16/h2,4,
    11H,1,3H2,(H,9,12,13)(H2,
    14,15,16)/t4-/m0/s1;
    FBWWPOSBYNOMBJ-BYPYZUCNSA-N    		 O[CH](CO[P](O)(O)=O)CN1C=C(Br)C(=O)NC1=O
    ; O[C@H](CO[P](O)(O)=O)CN1C=C(Br)C(=O)NC
    1=O; C1=C(C(=O)NC(=O)N1CC(COP(=O)(O)O)O)
    Br; O=P(O)(O)OCC(O)CN1C=C(Br)C(=O)NC1=O;
    C1=C(C(=O)NC(=O)N1C[C@@H](COP(=O)(O)O)O
    )Br    		 (S)-1'-(2',3'-DIHYDROXYPROPYL)-5-BROMO-URACIL
    49124 ZBX 1 C23 H22 O8 InChI=1S/C23H22O8/c1-4-23
    (29)9-13(24)15-11(18(23)2
    2(28)31-3)8-12-17(20(15)2
    6)21(27)16-10(19(12)25)6-
    5-7-14(16)30-2/h5-8,13,18
    ,24,26,29H,4,9H2,1-3H3/t1
    3-,18-,23+/m0/s1;
    NTDFHDOMIWPJES-PUMRXTBWSA-N    		 CC[C@@]1(O)C[C@H](O)c2c(O)c3C(=O)c4c(OC)
    cccc4C(=O)c3cc2[C@H]1C(=O)OC; CC[C@]1(C[
    C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4OC)C3=O
    )[C@H]1C(=O)OC)O)O; CC[C]1(O)C[CH](O)c2c
    (O)c3C(=O)c4c(OC)cccc4C(=O)c3cc2[CH]1C(=
    O)OC; CCC1(CC(c2c(cc3c(c2O)C(=O)c4c(cccc
    4OC)C3=O)C1C(=O)OC)O)O    		 methyl (1R,2R,4S)-2-ethyl-7-methoxy-2,4,5-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate
    49125 ZBZ
    CHEMBL1561060
    ZINC000003954221    		 0 C10 H11 N O3 S InChI=1S/C10H11NO3S/c11-8
    (9(12)13)6-15-10(14)7-4-2
    -1-3-5-7/h1-5,8H,6,11H2,(
    H,12,13)/t8-/m0/s1;
    OWZIPHGMKGSDNS-QMMMGPOBSA-N    		 O=C(O)C(N)CSC(=O)c1ccccc1; c1ccc(cc1)C(=
    O)SC[C@@H](C(=O)O)N; c1ccc(cc1)C(=O)SCC(
    C(=O)O)N; N[CH](CSC(=O)c1ccccc1)C(O)=O;
    N[C@@H](CSC(=O)c1ccccc1)C(O)=O    		 S-(phenylcarbonyl)-L-cysteine
    49126 ZC0
    CHEMBL3287379
    DB12796    		 0 C18 H15 F3 N4 O4 InChI=1S/C18H15F3N4O4/c19
    -12-7-13(15(20)16(21)17(1
    2)24-4-1-10(26)2-5-24)25-
    9-11(29-18(25)27)8-22-14-
    3-6-28-23-14/h1,3-4,6-7,1
    1H,2,5,8-9H2,(H,22,23)/t1
    1-/m0/s1;
    SULYVXZZUMRQAX-NSHDSACASA-N    		 c1conc1NC[C@H]2CN(C(=O)O2)c3cc(c(c(c3F)F
    )N4CCC(=O)C=C4)F; c1conc1NCC2CN(C(=O)O2)
    c3cc(c(c(c3F)F)N4CCC(=O)C=C4)F; Fc1cc(N2
    C[CH](CNc3ccon3)OC2=O)c(F)c(F)c1N4CCC(=O
    )C=C4; Fc1cc(N2C[C@H](CNc3ccon3)OC2=O)c(
    F)c(F)c1N4CCC(=O)C=C4; C1C(C=CN(C1)c2c(F
    )cc(c(c2F)F)N3CC(OC3=O)CNc4ccon4)=O    		 Contezolid;
    MRX-I
    49127 ZC3
    CHEMBL4754469
    ZINC000584905719    		 4 C9 H7 F N2 O S InChI=1S/C9H7FN2OS/c1-5(1
    3)11-9-12-7-4-6(10)2-3-8(
    7)14-9/h2-4H,1H3,(H,11,12
    ,13);
    DPZGAHUPXGKUDW-UHFFFAOYSA-N    		 CC(=O)Nc1nc2cc(ccc2s1)F; CC(=O)Nc1sc2ccc
    (F)cc2n1    		 N-(5-FLUORANYL-1,3-BENZOTHIAZOL-2-YL)ETHANAMIDE
    49128 ZC9
    ZINC000143636950    		 8 C8 H6 F N3 InChI=1S/C8H6FN3/c9-6-1-2
    -7(10-5-6)8-3-4-11-12-8/h
    1-5H,(H,11,12);
    ADBMBWBQQBJNNZ-UHFFFAOYSA-N    		 c1cc(ncc1F)c2ccn[nH]2; Fc1cnc(cc1)c1ccn[
    NH]1; Fc1ccc(nc1)c2[nH]ncc2    		 (2P)-5-fluoro-2-(1H-pyrazol-5-yl)pyridine
    49129 ZCD
    ZINC000004097152    		 1 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3+,4-,5+,6+/m
    1/s1;
    WQZGKKKJIJFFOK-RDQKPOQOSA-N    		 OC[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1
    O; C(C1C(C(C(C(O1)O)O)O)O)O; OC[CH]1O[CH
    ](O)[CH](O)[CH](O)[CH]1O; C([C@@H]1[C@@H
    ]([C@H]([C@@H]([C@H](O1)O)O)O)O)O; OC1C(
    O)C(OC(O)C1O)CO    		 alpha-D-idopyranose;
    alpha-D-idose;
    D-idose;
    idose
    49130 ZCF
    CHEMBL1598041    		 1 C21 H27 N5 O InChI=1S/C21H27N5O/c1-16-
    6-8-18(9-7-16)21(10-4-5-1
    1-21)20-23-19(27-24-20)15
    -25(2)13-17-12-22-26(3)14
    -17/h6-9,12,14H,4-5,10-11
    ,13,15H2,1-3H3;
    PYOPUXIDJFMOTI-UHFFFAOYSA-N    		 CN(Cc1cnn(C)c1)Cc2onc(n2)C3(CCCC3)c4ccc(
    C)cc4; Cn1cc(cn1)CN(C)Cc1nc(no1)C1(CCCC1
    )c1ccc(C)cc1; Cc1ccc(cc1)C2(CCCC2)c3nc(o
    n3)CN(C)Cc4cnn(c4)C    		 N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]methanamine
    49131 ZCI
    CHEMBL292042
    ZINC000002577854    		 3 C3 H3 Br N2 InChI=1S/C3H3BrN2/c4-3-5-
    1-2-6-3/h1-2H,(H,5,6);
    AXHRGVJWDJDYPO-UHFFFAOYSA-N    		 Brc1[nH]ccn1; Brc1ncc[NH]1; c1cnc([nH]1)
    Br    		 2-bromo-1H-imidazole
    49132 ZCL
    CHEMBL4866247
    ZINC000001652104    		 0 C9 H9 Cl2 N O2 InChI=1S/C9H9Cl2NO2/c10-6
    -2-1-5(3-7(6)11)4-8(12)9(
    13)14/h1-3,8H,4,12H2,(H,1
    3,14)/t8-/m0/s1;
    NRCSJHVDTAAISV-QMMMGPOBSA-N    		 c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)Cl; c1cc(c
    (cc1CC(C(=O)O)N)Cl)Cl; Clc1ccc(cc1Cl)CC(
    C(=O)O)N; N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(O)
    =O; N[CH](Cc1ccc(Cl)c(Cl)c1)C(O)=O    		 3,4-dichloro-L-phenylalanine
    49133 ZCM 0 Cm InChI=1S/Cm/q+3;
    NIWWFAAXEMMFMS-UHFFFAOYSA-N    		 [Cm+3] CURIUM ION
    49134 ZCQ
    CHEMBL13888
    ZINC000001576887    		 3 C6 H5 N O3 InChI=1S/C6H5NO3/c8-6-3-1
    -2-5(4-6)7(9)10/h1-4,8H;
    RTZZCYNQPHTPPL-UHFFFAOYSA-N    		 O=[N+]([O-])c1cccc(O)c1; c1cc(cc(c1)O)[N
    +](=O)[O-]; Oc1cccc(c1)[N+]([O-])=O    		 3-nitrophenol
    49135 ZCT
    ZINC000058649733    		 9 C32 H26 O14 InChI=1S/C32H26O14/c1-9-2
    1-15(3-11(45-9)5-19(35)36
    )29(41)23-17(33)7-13(27(3
    9)25(23)31(21)43)14-8-18(
    34)24-26(28(14)40)32(44)2
    2-10(2)46-12(6-20(37)38)4
    -16(22)30(24)42/h7-12,33-
    34,39-40H,3-6H2,1-2H3,(H,
    35,36)(H,37,38)/t9-,10-,1
    1+,12+/m1/s1;
    VTIKDEXOEJDMJP-WYUUTHIRSA-N    		 C[C@@H]1C2=C(C[C@H](O1)CC(=O)O)C(=O)c3c(
    cc(c(c3C2=O)O)c4cc(c5c(c4O)C(=O)C6=C(C5=
    O)C[C@H](O[C@@H]6C)CC(=O)O)O)O; C[CH]1O[
    CH](CC(O)=O)CC2=C1C(=O)c3c(O)c(cc(O)c3C2
    =O)c4cc(O)c5C(=O)C6=C([CH](C)O[CH](CC(O)
    =O)C6)C(=O)c5c4O; O=C(O)CC6OC(C5=C(C(=O)
    c4c(O)cc(c2cc(O)c1C(=O)C3=C(C(=O)c1c2O)C
    (OC(C3)CC(=O)O)C)c(O)c4C5=O)C6)C; C[C@H]
    1O[C@H](CC(O)=O)CC2=C1C(=O)c3c(O)c(cc(O)
    c3C2=O)c4cc(O)c5C(=O)C6=C([C@@H](C)O[C@H
    ](CC(O)=O)C6)C(=O)c5c4O; CC1C2=C(CC(O1)C
    C(=O)O)C(=O)c3c(cc(c(c3C2=O)O)c4cc(c5c(c
    4O)C(=O)C6=C(C5=O)CC(OC6C)CC(=O)O)O)O    		 2,2'-[(1R,1'R,3S,3'S)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1H,1'H-8,8'-bibenzo[g]isochromene-3,3'-diyl]diacetic acid
    49136 ZCW
    CHEMBL226545
    ZINC000000003252    		 13 C10 H11 N O InChI=1S/C10H11NO/c12-6-5
    -8-7-11-10-4-2-1-3-9(8)10
    /h1-4,7,11-12H,5-6H2;
    MBBOMCVGYCRMEA-UHFFFAOYSA-N    		 OCCc1c[nH]c2ccccc12; OCCc2c1ccccc1nc2; c
    1ccc2c(c1)c(c[nH]2)CCO    		 2-(1H-indol-3-yl)ethanol
    49137 ZCY
    ZINC000058649738    		 0 C7 H12 N3 O6 P InChI=1S/C7H12N3O6P/c8-6-
    1-2-10(7(12)9-6)3-5(11)4-
    16-17(13,14)15/h1-2,5,11H
    ,3-4H2,(H2,8,9,12)(H2,13,
    14,15)/t5-/m0/s1;
    IQHBYFSDRWZBDG-YFKPBYRVSA-N    		 O=C1N=C(C=CN1CC(O)COP(=O)(O)O)N; NC1=NC(
    =O)N(C[CH](O)CO[P](O)(O)=O)C=C1; C1=CN(C
    (=O)N=C1N)C[C@@H](COP(=O)(O)O)O; C1=CN(C
    (=O)N=C1N)CC(COP(=O)(O)O)O; NC1=NC(=O)N(
    C[C@H](O)CO[P](O)(O)=O)C=C1    		 (S)-1'-(2',3'-DIHYDROXYPROPYL)-CYTOSINE
    49138 ZCZ 1 C11 H21 N O7 InChI=1S/C11H21NO7/c1-5-7
    (12-10(16)6(14)3-4-13)8(1
    5)9(18-2)11(17)19-5/h5-9,
    11,13-15,17H,3-4H2,1-2H3,
    (H,12,16)/t5-,6-,7-,8+,9+
    ,11+/m1/s1;
    BYURRTCQJAPYFR-CWJAVHARSA-N    		 CO[CH]1[CH](O)O[CH](C)[CH](NC(=O)[CH](O)
    CCO)[CH]1O; CC1C(C(C(C(O1)O)OC)O)NC(=O)C
    (CCO)O; CO[C@@H]1[C@@H](O)O[C@H](C)[C@@H
    ](NC(=O)[C@H](O)CCO)[C@@H]1O; O=C(NC1C(O
    C(O)C(OC)C1O)C)C(O)CCO; C[C@@H]1[C@H]([C
    @@H]([C@@H]([C@H](O1)O)OC)O)NC(=O)[C@@H]
    (CCO)O    		 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranose
    49139 ZD0 1 C11 H21 N O7 InChI=1S/C11H21NO7/c1-5-7
    (12-10(17)6(14)3-4-13)8(1
    5)9(16)11(18-2)19-5/h5-9,
    11,13-16H,3-4H2,1-2H3,(H,
    12,17)/t5-,6-,7-,8+,9+,11
    +/m1/s1;
    ASFHRCHAPWVLRF-CWJAVHARSA-N    		 CC1C(C(C(C(O1)OC)O)O)NC(=O)C(CCO)O; CO[C
    @H]1O[C@H](C)[C@@H](NC(=O)[C@H](O)CCO)[C
    @H](O)[C@@H]1O; O=C(NC1C(OC(OC)C(O)C1O)C
    )C(O)CCO; C[C@@H]1[C@H]([C@@H]([C@@H]([C
    @H](O1)OC)O)O)NC(=O)[C@@H](CCO)O; CO[CH]
    1O[CH](C)[CH](NC(=O)[CH](O)CCO)[CH](O)[C
    H]1O    		 methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-alpha-D-mannopyranoside
    49140 ZD1 2 C13 H23 N O9 InChI=1S/C13H23NO9/c14-5-
    1-4(2-15)12(10(20)7(5)17)
    23-13-11(21)9(19)8(18)6(3
    -16)22-13/h1,5-13,15-21H,
    2-3,14H2/t5-,6+,7-,8+,9-,
    10+,11+,12+,13+/m0/s1;
    UINFOZNGFLXUEC-QHWKHWDXSA-N    		 N[C@H]1C=C(CO)[C@@H](O[C@H]2O[C@H](CO)[C
    @@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O;
    C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O[C@
    @H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)
    O)CO; N[CH]1C=C(CO)[CH](O[CH]2O[CH](CO)[
    CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O; OCC1=
    CC(N)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O; C1=
    C(C(C(C(C1N)O)O)OC2C(C(C(C(O2)CO)O)O)O)C
    O    		 (1R,4S,5S,6R)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside
    49141 ZD2
    ZINC000015203321    		 4 C9 H11 N5 O3 InChI=1S/C9H11N5O3/c10-7-
    6-8(12-3-11-7)14(4-13-6)2
    -1-5(15)9(16)17/h3-5,15H,
    1-2H2,(H,16,17)(H2,10,11,
    12)/t5-/m0/s1;
    NWPWVFAEENVVJM-YFKPBYRVSA-N    		 Nc1ncnc2n(CC[CH](O)C(O)=O)cnc12; Nc1ncnc
    2n(CC[C@H](O)C(O)=O)cnc12; c1nc(c2c(n1)n
    (cn2)CCC(C(=O)O)O)N; c1nc(c2c(n1)n(cn2)C
    C[C@@H](C(=O)O)O)N; O=C(O)C(CCn2c1ncnc(c
    1nc2)N)O    		 (2S)-4-(6-amino-9H-purin-9-yl)-2-hydroxybutanoic acid
    49142 ZD3 1 C16 H18 F3 N3 O InChI=1S/C16H18F3N3O/c1-1
    0-2-3-13-12(6-10)14(7-15(
    21-13)16(17,18)19)22-5-4-
    20-11(8-22)9-23/h2-3,6-7,
    11,20,23H,4-5,8-9H2,1H3/t
    11-/m0/s1;
    BWADWGMLGZVJNC-NSHDSACASA-N    		 Cc1ccc2nc(cc(N3CCN[C@H](CO)C3)c2c1)C(F)(
    F)F; Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCN[
    C@@H](C3)CO; FC(F)(F)c1cc(c2cc(C)ccc2n1)
    N1CC(NCC1)CO; Cc1ccc2c(c1)c(cc(n2)C(F)(F
    )F)N3CCNC(C3)CO; Cc1ccc2nc(cc(N3CCN[CH](
    CO)C3)c2c1)C(F)(F)F    		 {(2S)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol
    49143 ZD4 1 C10 H14 Cl N5 O10 P2 InChI=1S/C10H14ClN5O10P2/
    c11-10-14-7(12)4-8(15-10)
    16(2-13-4)9-6(18)5(17)3(2
    5-9)1-24-28(22,23)26-27(1
    9,20)21/h2-3,5-6,9,17-18H
    ,1H2,(H,22,23)(H2,12,14,1
    5)(H2,19,20,21)/t3-,5-,6-
    ,9-/m1/s1;
    POWNGKCXGCOKLX-UUOKFMHZSA-N    		 c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H]
    (O3)COP(=O)(O)OP(=O)(O)O)O)O)Cl)N; Nc1nc
    (Cl)nc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O
    )O[P](O)(O)=O)[C@@H](O)[C@H]3O; O=P(O)(O
    )OP(=O)(O)OCC1OC(n2cnc3c(N)nc(Cl)nc32)C(
    O)C1O; c1nc2c(nc(nc2n1C3C(C(C(O3)COP(=O)
    (O)OP(=O)(O)O)O)O)Cl)N; Nc1nc(Cl)nc2n(cn
    c12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)
    [CH](O)[CH]3O    		 2-chloroadenosine 5'-(trihydrogen diphosphate)
    49144 ZD5 1 C16 H18 F3 N3 O InChI=1S/C16H18F3N3O/c1-1
    0-2-3-13-12(6-10)14(7-15(
    21-13)16(17,18)19)22-5-4-
    20-11(8-22)9-23/h2-3,6-7,
    11,20,23H,4-5,8-9H2,1H3/t
    11-/m1/s1;
    BWADWGMLGZVJNC-LLVKDONJSA-N    		 Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCN[C@H](
    C3)CO; FC(F)(F)c1cc(c2cc(C)ccc2n1)N1CC(N
    CC1)CO; Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3C
    CNC(C3)CO; Cc1ccc2nc(cc(N3CCN[CH](CO)C3)
    c2c1)C(F)(F)F; Cc1ccc2nc(cc(N3CCN[C@@H](
    CO)C3)c2c1)C(F)(F)F    		 {(2R)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol
    49145 ZD6
    CHEMBL24828
    DB05294
    ZINC000053683345    		 1 C22 H24 Br F N4 O2 InChI=1S/C22H24BrFN4O2/c1
    -28-7-5-14(6-8-28)12-30-2
    1-11-19-16(10-20(21)29-2)
    22(26-13-25-19)27-18-4-3-
    15(23)9-17(18)24/h3-4,9-1
    1,13-14H,5-8,12H2,1-2H3,(
    H,25,26,27);
    UHTHHESEBZOYNR-UHFFFAOYSA-N    		 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(
    C)CC4; CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)
    Nc4ccc(cc4F)Br    		 Vandetanib;
    ZD6474
    49146 ZD7
    CHEMBL159096
    ZINC000003784334    		 1 C26 H26 N6 O InChI=1S/C26H26N6O/c1-3-1
    9-15-24-22(23(4-2)27-19)1
    3-14-25(33)32(24)16-17-9-
    11-18(12-10-17)20-7-5-6-8
    -21(20)26-28-30-31-29-26/
    h5-12,15H,3-4,13-14,16H2,
    1-2H3,(H,28,29,30,31);
    BFVNEYDCFJNLGN-UHFFFAOYSA-N    		 CCc1cc2N(Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C
    (=O)CCc2c(CC)n1; O=C2N(c1cc(nc(c1CC2)CC)
    CC)Cc5ccc(c3ccccc3c4nnnn4)cc5; CCc1cc2c(
    c(n1)CC)CCC(=O)N2Cc3ccc(cc3)c4ccccc4c5[n
    H]nnn5    		 5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one
    49147 ZD9
    ZINC000095920937    		 2 C14 H15 N3 O InChI=1S/C14H15N3O/c1-4-5
    -15-8-11-7-12-13(6-9(11)2
    )16-10(3)17-14(12)18/h6-7
    ,15H,8H2,1-3H3,(H,16,17,1
    8);
    VHJQNTIPWBTKDM-UHFFFAOYSA-N    		 CC#CNCc1cc2c(cc1C)N=C(NC2=O)C; CC#CNCc1c
    c2C(=O)NC(=Nc2cc1C)C; O=C1c2cc(c(cc2N=C(
    N1)C)C)CNC#CC    		 2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3H)-one
    49148 ZDA
    CHEMBL1162355
    ZINC000013829365    		 8 C10 H16 N5 O11 P3 InChI=1S/C10H16N5O11P3/c1
    -5-6(24-28(19,20)26-29(21
    ,22)25-27(16,17)18)2-7(23
    -5)15-4-14-8-9(11)12-3-13
    -10(8)15/h3-7H,2H2,1H3,(H
    ,19,20)(H,21,22)(H2,11,12
    ,13)(H2,16,17,18)/t5-,6+,
    7-/m1/s1;
    ZJGUOEYCABTFNH-DSYKOEDSSA-N    		 C[C@H]1O[C@H](C[C@@H]1O[P](O)(=O)O[P](O)
    (=O)O[P](O)(O)=O)n2cnc3c(N)ncnc23; O=P(O
    )(O)OP(=O)(O)OP(=O)(O)OC3C(OC(n2cnc1c(nc
    nc12)N)C3)C; C[CH]1O[CH](C[CH]1O[P](O)(=
    O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3c(N)ncnc
    23; C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncn
    c3N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O; CC1C(C
    C(O1)n2cnc3c2ncnc3N)OP(=O)(O)OP(=O)(O)OP
    (=O)(O)O    		 2',5'-dideoxyadenosine 3'-(tetrahydrogen triphosphate);
    2',5'-DIDEOXYADENOSINE 3'-TRIPHOSPHATE
    49149 ZDC
    ZINC000166514822    		 113 C8 H14 O6 InChI=1S/C8H14O6/c1-3-6(1
    1)8(13)7(12)4(14-3)2-5(9)
    10/h3-4,6-8,11-13H,2H2,1H
    3,(H,9,10)/t3-,4-,6+,7+,8
    +/m0/s1;
    YTZUDUWVQZSKNN-OASCRQMUSA-N    		 O=C(O)CC1OC(C(O)C(O)C1O)C; CC1C(C(C(C(O1
    )CC(=O)O)O)O)O; C[C@@H]1O[C@@H](CC(O)=O)
    [C@@H](O)[C@H](O)[C@@H]1O; C[CH]1O[CH](C
    C(O)=O)[CH](O)[CH](O)[CH]1O; C[C@H]1[C@H
    ]([C@H]([C@@H]([C@@H](O1)CC(=O)O)O)O)O    		 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid
    49150 ZDF
    CHEMBL5556282
    ZINC000011817504    		 1 C22 H29 N5 O InChI=1S/C22H29N5O/c1-3-2
    6(15-16-27-14-6-13-23-27)
    17-20-24-21(25-28-20)22(1
    1-4-5-12-22)19-9-7-18(2)8
    -10-19/h6-10,13-14H,3-5,1
    1-12,15-17H2,1-2H3;
    CIGIIVQVOWUOHH-UHFFFAOYSA-N    		 CCN(CCn1cccn1)Cc2onc(n2)C3(CCCC3)c4ccc(C
    )cc4; Cc1ccc(cc1)C1(CCCC1)c1nc(CN(CC)CCn
    2cccn2)on1; CCN(CCn1cccn1)Cc2nc(no2)C3(C
    CCC3)c4ccc(cc4)C    		 N-ethyl-N-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(1H-pyrazol-1-yl)ethan-1-amine
    49151 ZDG
    CHEMBL5267903
    ZINC000114342050    		 1 C26 H25 Cl2 N5 O4 InChI=1S/C26H25Cl2N5O4/c1
    -18-24(26(34)30-31-14-4-2
    -5-15-31)29-32(23-13-12-2
    1(27)17-22(23)28)25(18)20
    -10-8-19(9-11-20)7-3-6-16
    -37-33(35)36/h8-13,17H,2,
    4-6,14-16H2,1H3,(H,30,34);
    KXXKUWQMQUYUSE-UHFFFAOYSA-N    		 Cc1c(nn(c2ccc(Cl)cc2Cl)c1c3ccc(cc3)C#CCC
    O[N+]([O-])=O)C(=O)NN4CCCCC4; Cc1c(n(nc1
    C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)
    C#CCCO[N+](=O)[O-]    		 4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate
    49152 ZDJ
    CHEMBL3808433
    ZINC000001713866    		 0 C10 H13 N O3 InChI=1S/C10H13NO3/c1-6-4
    -7(2-3-9(6)12)5-8(11)10(1
    3)14/h2-4,8,12H,5,11H2,1H
    3,(H,13,14)/t8-/m0/s1;
    MQHLULPKDLJASZ-QMMMGPOBSA-N    		 Cc1cc(CC(N)C(=O)O)ccc1O; Cc1cc(ccc1O)CC(
    C(=O)O)N; Cc1cc(ccc1O)C[C@@H](C(=O)O)N;
    Cc1cc(C[CH](N)C(O)=O)ccc1O; Cc1cc(C[C@H]
    (N)C(O)=O)ccc1O    		 3-methyl-L-tyrosine
    49153 ZDK
    CHEMBL5563667    		 1 C23 H27 N3 O2 InChI=1S/C23H27N3O2/c1-27
    -17-18-12-14-26(15-13-18)
    16-21-24-23(25-28-21)22(1
    9-8-4-2-5-9-19)20-10-6-3-
    7-11-20/h2-11,18,22H,12-1
    7H2,1H3;
    XYPQCOBQQQTCFN-UHFFFAOYSA-N    		 COCC1CCN(CC1)Cc1nc(no1)C(c1ccccc1)c1cccc
    c1; COCC1CCN(CC1)Cc2nc(no2)C(c3ccccc3)c4
    ccccc4; COCC1CCN(CC1)Cc2onc(n2)C(c3ccccc
    3)c4ccccc4    		 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine
    49154 ZDL 1 C5 H12 N2 InChI=1S/C5H12N2/c1-6-3-4
    -7(2)5-6/h3-5H2,1-2H3;
    SMWUDAKKCDQTPV-UHFFFAOYSA-N    		 CN1CCN(C1)C; CN1CCN(C)C1 1,3-dimethylimidazolidine
    49155 ZDM
    CHEMBL1738948
    ZINC000066157001    		 9 C21 H40 O11 InChI=1S/C21H40O11/c1-2-3
    -4-5-6-7-8-9-29-20-18(28)
    16(26)19(13(11-23)31-20)3
    2-21-17(27)15(25)14(24)12
    (10-22)30-21/h12-28H,2-11
    H2,1H3/t12-,13-,14-,15+,1
    6-,17-,18-,19-,20-,21-/m1
    /s1;
    KCCBGPCYGBPHBR-ZESVGKPKSA-N    		 CCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)
    CO)O)O)O)O)O; CCCCCCCCCO[CH]1O[CH](CO)[C
    H](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[
    CH](O)[CH]1O; CCCCCCCCCO[C@@H]1O[C@H](CO
    )[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](
    O)[C@H]2O)[C@H](O)[C@H]1O; O(CCCCCCCCC)C
    2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO; C
    CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H]
    (O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H]
    (O2)CO)O)O)O)O)O    		 nonyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside;
    nonyl-beta-D-maltoside
    49156 ZDO 7 C7 H15 N O11 S2 InChI=1S/C7H15NO11S2/c1-1
    7-7-4(8-20(11,12)13)6(10)
    5(9)3(19-7)2-18-21(14,15)
    16/h3-10H,2H2,1H3,(H,11,1
    2,13)(H,14,15,16)/t3-,4-,
    5-,6-,7+/m1/s1;
    UWLKUQLVRABNAG-GKHCUFPYSA-N    		 COC1C(C(C(C(O1)COS(=O)(=O)O)O)O)NS(=O)(=
    O)O; O=S(=O)(O)OCC1OC(OC)C(NS(=O)(=O)O)C
    (O)C1O; CO[CH]1O[CH](CO[S](O)(=O)=O)[CH]
    (O)[CH](O)[CH]1N[S](O)(=O)=O; CO[C@H]1O[
    C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@
    H]1N[S](O)(=O)=O; CO[C@@H]1[C@@H]([C@H](
    [C@@H]([C@H](O1)COS(=O)(=O)O)O)O)NS(=O)(
    =O)O    		 methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside
    49157 ZDP 11 C8 H16 N2 O4 InChI=1S/C8H16N2O4/c1-8(1
    0,7(13)14)4-2-3-5(9)6(11)
    12/h5H,2-4,9-10H2,1H3,(H,
    11,12)(H,13,14)/t5-,8-/m0
    /s1;
    TVZGBXIJPFGQBJ-XNCJUZBTSA-N    		 C[C@](CCC[C@@H](C(=O)O)N)(C(=O)O)N; C[C]
    (N)(CCC[CH](N)C(O)=O)C(O)=O; CC(CCCC(C(=
    O)O)N)(C(=O)O)N; C[C@](N)(CCC[C@H](N)C(O
    )=O)C(O)=O; O=C(O)C(N)(CCCC(N)C(=O)O)C    		 (2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID
    49158 ZDR 15 C8 H16 N2 O4 InChI=1S/C8H16N2O4/c1-8(1
    0,7(13)14)4-2-3-5(9)6(11)
    12/h5H,2-4,9-10H2,1H3,(H,
    11,12)(H,13,14)/t5-,8+/m0
    /s1;
    TVZGBXIJPFGQBJ-YLWLKBPMSA-N    		 C[C](N)(CCC[CH](N)C(O)=O)C(O)=O; CC(CCCC
    (C(=O)O)N)(C(=O)O)N; C[C@@](N)(CCC[C@H](
    N)C(O)=O)C(O)=O; O=C(O)C(N)(CCCC(N)C(=O)
    O)C; C[C@@](CCC[C@@H](C(=O)O)N)(C(=O)O)N    		 (2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID
    49159 ZDU
    ZINC000058649875    		 0 C12 H20 N3 O8 P InChI=1S/C12H20N3O8P/c13-
    3-1-2-7-5-15(12(18)14-11(
    7)17)10-4-8(16)9(23-10)6-
    22-24(19,20)21/h5,8-10,16
    H,1-4,6,13H2,(H,14,17,18)
    (H2,19,20,21)/t8-,9+,10+/
    m0/s1;
    DPQBGKUKUKNQCZ-IVZWLZJFSA-N    		 NCCCC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=
    O)O2)C(=O)NC1=O; O=C1NC(=O)N(C=C1CCCN)C2
    OC(C(O)C2)COP(=O)(O)O; C1[C@@H]([C@H](O[
    C@H]1N2C=C(C(=O)NC2=O)CCCN)COP(=O)(O)O)O
    ; C1C(C(OC1N2C=C(C(=O)NC2=O)CCCN)COP(=O)
    (O)O)O; NCCCC1=CN([C@H]2C[C@H](O)[C@@H](
    CO[P](O)(O)=O)O2)C(=O)NC1=O    		 5-(3-AMINOPROPYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
    49160 ZDV
    CHEMBL12722
    ZINC000000152271    		 0 C7 H8 F N InChI=1S/C7H8FN/c8-7-3-1-
    2-6(4-7)5-9/h1-4H,5,9H2;
    QVSVMNXRLWSNGS-UHFFFAOYSA-N    		 c1cc(cc(c1)F)CN; NCc1cccc(F)c1; Fc1cc(cc
    c1)CN    		 1-(3-fluorophenyl)methanamine
    49161 ZE0
    ZINC000102192298    		 35 C40 H56 O InChI=1S/C40H56O/c1-33(2)
    19-13-22-36(5)25-16-28-37
    (6)26-14-23-34(3)20-11-12
    -21-35(4)24-15-27-38(7)29
    -17-30-39(8)31-18-32-40(9
    ,10)41/h11-17,19-30,41H,1
    8,31-32H2,1-10H3/b12-11+,
    22-13+,23-14+,24-15+,28-1
    6+,29-17+,34-20+,35-21+,3
    6-25+,37-26+,38-27+,39-30
    +;
    SBVLKWMQRFTYPE-WRNKADOOSA-N    		 CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C
    /C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/CCCC(C
    )(C)O; OC(C)(C)CCCC(=C\C=C\C(=C\C=C\C(=C
    \C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\C=C(\C)C
    )C)C)C)C)C)\C; CC(=CC=CC(=CC=CC(=CC=CC(=
    CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)
    C)C)C)C; CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(=
    C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC
    CC(C)(C)O)/C)/C)/C)C; CC(C)=CC=CC(C)=CC=
    CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C
    (C)CCCC(C)(C)O    		 (3'E)-3',4'-didehydro-1,2-dihydro-psi,psi-caroten-1-ol
    49162 ZE2
    CHEMBL5568461
    ZINC000067490685    		 1 C17 H25 N O5 S InChI=1S/C17H25NO5S/c1-23
    -15-6-7-16(14-5-3-2-4-13(
    14)15)24(21,22)18-10-8-17
    (20,12-19)9-11-18/h6-7,19
    -20H,2-5,8-12H2,1H3;
    HMRYHSCJKFERQE-UHFFFAOYSA-N    		 COc1ccc(c2CCCCc12)[S](=O)(=O)N3CCC(O)(CO
    )CC3; OC1(CCN(CC1)S(=O)(=O)c1ccc(OC)c2CC
    CCc21)CO; COc1ccc(c2c1CCCC2)S(=O)(=O)N3C
    CC(CC3)(CO)O    		 4-(hydroxymethyl)-1-(4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonyl)piperidin-4-ol
    49163 ZE7 4 C12 H24 O InChI=1S/C12H24O/c13-11-7
    -2-1-4-8-12-9-5-3-6-10-12
    /h12-13H,1-11H2;
    SRWKSFRBHIWJSD-UHFFFAOYSA-N    		 OCCCCCCC1CCCCC1; C1CCC(CC1)CCCCCCO 6-cyclohexylhexan-1-ol
    49164 ZE8
    CHEMBL504567
    DB03068
    ZINC000006119090    		 1 C9 H12 N2 O5 InChI=1S/C9H12N2O5/c12-4-
    5-6(13)7(14)8(16-5)11-3-1
    -2-10-9(11)15/h1-3,5-8,12
    -14H,4H2/t5-,6-,7-,8-/m1/
    s1;
    RPQZTTQVRYEKCR-WCTZXXKLSA-N    		 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC=N
    C2=O; O=C1N=CC=CN1C2OC(C(O)C2O)CO; OC[CH
    ]1O[CH]([CH](O)[CH]1O)N2C=CC=NC2=O; C1=C
    N(C(=O)N=C1)C2C(C(C(O2)CO)O)O; C1=CN(C(=
    O)N=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O
    )O    		 Zebularine
    49165 ZE9 2 C14 H16 N2 O3 InChI=1S/C14H16N2O3/c1-9-
    5-6-13(19-9)11-8-12(14-4-
    3-7-18-14)16(15-11)10(2)1
    7/h3-7,11-12,15H,8H2,1-2H
    3/t11-,12-/m1/s1;
    PRJVEKCLDLKKGJ-VXGBXAGGSA-N    		 CC(=O)N1N[C@H](C[C@@H]1c2occc2)c3oc(C)cc
    3; Cc1ccc(o1)C2CC(N(N2)C(=O)C)c3ccco3; C
    C(=O)N1NC(CC1c1ccco1)c1ccc(C)o1; Cc1ccc(
    o1)C2C[C@@H](N(N2)C(=O)C)c3ccco3; CC(=O)
    N1N[CH](C[CH]1c2occc2)c3oc(C)cc3    		 1-[(3R,5R)-5-(furan-2-yl)-3-(5-methylfuran-2-yl)pyrazolidin-1-yl]ethan-1-one
    49166 ZEA
    CHEMBL525239
    DB11337
    ZINC000004492895    		 44 C10 H13 N5 O InChI=1S/C10H13N5O/c1-7(4
    -16)2-3-11-9-8-10(13-5-12
    -8)15-6-14-9/h2,5-6,16H,3
    -4H2,1H3,(H2,11,12,13,14,
    15)/b7-2+;
    UZKQTCBAMSWPJD-FARCUNLSSA-N    		 CC(=CCNc1c2c([nH]cn2)ncn1)CO; C/C(=C\CNc
    1c2c([nH]cn2)ncn1)/CO; CC(/CO)=C\CNc1ncn
    c2[nH]cnc12; CC(CO)=CCNc1ncnc2[nH]cnc12;
    n2c1c(ncn1)c(nc2)NC\C=C(/C)CO    		 (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol;
    TRANS-ZEATIN
    49167 ZEB
    ZINC000005835192    		 1 C9 H14 N2 O6 InChI=1S/C9H14N2O6/c12-3-
    4-6(14)7(15)8(17-4)11-2-1
    -5(13)10-9(11)16/h1-2,4-8
    ,12-15H,3H2,(H,10,16)/t4-
    ,5-,6-,7-,8-/m1/s1;
    LUOTYVSEHPPZEM-FMDGEEDCSA-N    		 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C[C@
    @H](O)NC2=O; C1=CN(C(=O)NC1O)C2C(C(C(O2)
    CO)O)O; C1=CN(C(=O)N[C@@H]1O)C2[C@@H]([C
    @@H]([C@H](O2)CO)O)O; OC[CH]1O[CH]([CH](
    O)[CH]1O)N2C=C[CH](O)NC2=O; O=C1NC(O)C=C
    N1C2OC(C(O)C2O)CO    		 4-HYDROXY-3,4-DIHYDRO-ZEBULARINE
    49168 ZEC
    CHEMBL6685
    DB08765    		 8 C7 H6 N2 O3 S2 InChI=1S/C7H6N2O3S2/c8-14
    (11,12)7-9-5-2-1-4(10)3-6
    (5)13-7/h1-3,10H,(H2,8,11
    ,12);
    NOOBQTYVTDBXTL-UHFFFAOYSA-N    		 c1cc2c(cc1O)sc(n2)S(=O)(=O)N; O=S(=O)(c1
    nc2ccc(O)cc2s1)N; N[S](=O)(=O)c1sc2cc(O)
    ccc2n1    		 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE
    49169 ZED
    CHEMBL16332
    DB08766
    ZINC000003780852    		 6 C15 H19 N O3 S2 InChI=1S/C15H19NO3S2/c1-1
    0(9-20)14(17)16-8-12(7-13
    (16)15(18)19)21-11-5-3-2-
    4-6-11/h2-6,10,12-13,20H,
    7-9H2,1H3,(H,18,19)/t10-,
    12+,13+/m1/s1;
    UQWLOWFDKAFKAP-WXHSDQCUSA-N    		 C[CH](CS)C(=O)N1C[CH](C[CH]1C(O)=O)Sc2cc
    ccc2; O=C(N2C(C(=O)O)CC(Sc1ccccc1)C2)C(C
    )CS; CC(CS)C(=O)N1CC(CC1C(=O)O)Sc2ccccc2
    ; C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)
    Sc2ccccc2; C[C@H](CS)C(=O)N1C[C@H](C[C@H
    ]1C(O)=O)Sc2ccccc2    		 L-PROLINE, 1-[(2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)-, 4S;
    ZOFENOPRILAT
    49170 ZEE
    ZINC000003581097    		 0 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3+,4+,5+,6-/m
    0/s1;
    WQZGKKKJIJFFOK-BSQWINAVSA-N    		 C(C1C(C(C(C(O1)O)O)O)O)O; C([C@H]1[C@H](
    [C@H]([C@H]([C@H](O1)O)O)O)O)O; OC[CH]1O
    [CH](O)[CH](O)[CH](O)[CH]1O; OC[C@@H]1O[
    C@H](O)[C@H](O)[C@H](O)[C@@H]1O; OC1C(O)
    C(OC(O)C1O)CO    		 beta-L-talopyranose;
    beta-L-talose;
    L-talose;
    talose;
    L-talopyranose
    49171 ZEG
    ZINC000008225552    		 1 C19 H17 F N2 O3 S2 InChI=1S/C19H17FN2O3S2/c2
    0-16-5-1-15(2-6-16)19-21-
    18(13-26-19)14-3-7-17(8-4
    -14)27(23,24)22-9-11-25-1
    2-10-22/h1-8,13H,9-12H2;
    JYTYZKKXJTUPJO-UHFFFAOYSA-N    		 Fc1ccc(cc1)c2scc(n2)c3ccc(cc3)[S](=O)(=O
    )N4CCOCC4; c1cc(ccc1c2nc(cs2)c3ccc(cc3)S
    (=O)(=O)N4CCOCC4)F; O=S(=O)(N1CCOCC1)c1c
    cc(cc1)c1csc(n1)c1ccc(F)cc1    		 4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine
    49172 ZEI
    CHEMBL122413
    ZINC000000009321    		 8 C16 H14 Cl N O2 InChI=1S/C16H14ClNO2/c1-2
    0-15-4-2-3-14(11-15)18-16
    (19)10-7-12-5-8-13(17)9-6
    -12/h2-11H,1H3,(H,18,19)/
    b10-7+;
    RYAMDQKWNKKFHD-JXMROGBWSA-N    		 COc1cccc(NC(=O)C=Cc2ccc(Cl)cc2)c1; Clc1c
    cc(/C=C/C(=O)Nc2cccc(OC)c2)cc1; COc1cccc
    (c1)NC(=O)C=Cc2ccc(cc2)Cl; COc1cccc(NC(=
    O)/C=C/c2ccc(Cl)cc2)c1; COc1cccc(c1)NC(=
    O)/C=C/c2ccc(cc2)Cl    		 (2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide;
    SB-366791
    49173 ZEK
    ZINC000013630571    		 1 C10 H12 N2 O2 InChI=1S/C10H12N2O2/c1-7(
    13)12-9-5-3-4-8(6-9)10(14
    )11-2/h3-6H,1-2H3,(H,11,1
    4)(H,12,13);
    FLRVBCQOMWVNPY-UHFFFAOYSA-N    		 O=C(C)Nc1cc(ccc1)C(=O)NC; CNC(=O)c1cccc(
    NC(C)=O)c1; CC(=O)Nc1cccc(c1)C(=O)NC    		 3-acetamido-N-methylbenzamide
    49174 ZEL
    ZINC000012358689    		 4 C7 H14 O6 InChI=1S/C7H14O6/c1-12-7-
    6(11)5(10)4(9)3(2-8)13-7/
    h3-11H,2H2,1H3/t3-,4-,5-,
    6+,7-/m1/s1;
    HOVAGTYPODGVJG-BNWJMWRWSA-N    		 CO[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)
    O)O)O; OC1C(O)C(O)C(OC1OC)CO; CO[C@@H]1O
    [C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O; CO[
    CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O; COC1C
    (C(C(C(O1)CO)O)O)O    		 methyl beta-D-altropyranoside
    49175 ZEM 1 C34 H32 N4 O5 Zn InChI=1S/C34H34N4O5.Zn/c1
    -7-20-16(3)24-14-27-21(8-
    2)18(5)32(37-27)34(43)33-
    19(6)23(10-12-31(41)42)29
    (38-33)15-28-22(9-11-30(3
    9)40)17(4)25(36-28)13-26(
    20)35-24;/h7-8,13-15H,1-2
    ,9-12H2,3-6H3,(H5,35,36,3
    7,38,39,40,41,42,43);/q;+
    2/p-2/b24-14-,25-13-,26-1
    3-,27-14-,28-15-,29-15-,3
    4-32+,34-33+;;
    GKGQUBKNYNPVCL-GYHFSKQYSA-L    		 CC1=C(CCC(O)=O)C2=Cc3n4[Zn][N@]5C(=CC6=N
    C(=C(O)c4c(C)c3CCC(O)=O)C(=C6C=C)C)C(=C(
    C=C)C5=CC1=N2)C; Cc1c(c2n3c1C(=C4C(=C(C5
    =[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C
    )C(=C(C7=C2)CCC(=O)O)C)C=C)C)O)CCC(=O)O;
    CC1=C(CCC(O)=O)C2=Cc3n4[Zn][N]5C(=CC6=N
    C(=C(O)c4c(C)c3CCC(O)=O)C(=C6C=C)C)C(=C(
    C=C)C5=CC1=N2)C    		 20-OXO-PROTOPORPHYRIN IX CONTAINING ZN(II);
    ZN(II)-(20-OXO-PROTOPORPHYRIN IX)
    49176 ZEN
    CHEMBL270527
    DB01836
    ZINC000003581069    		 5 C25 H27 Cl N4 O3 S InChI=1S/C25H27ClN4O3S/c2
    6-22-3-1-21-18-24(4-2-20(
    21)17-22)34(32,33)30-15-1
    3-29(14-16-30)25(31)19-7-
    11-28(12-8-19)23-5-9-27-1
    0-6-23/h1-6,9-10,17-19H,7
    -8,11-16H2;
    ZLAKCKVFSRSENR-UHFFFAOYSA-N    		 Clc2ccc1cc(ccc1c2)S(=O)(=O)N5CCN(C(=O)C4
    CCN(c3ccncc3)CC4)CC5; c1cc(cc2c1cc(cc2)C
    l)S(=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)c5cc
    ncc5; Clc1ccc2cc(ccc2c1)[S](=O)(=O)N3CCN
    (CC3)C(=O)C4CCN(CC4)c5ccncc5    		 [4-(6-CHLORO-NAPHTHALENE-2-SULFONYL)-PIPERAZIN-1-YL]- (3,4,5,6-TETRAHYDRO-2H-[1,4']BIPYRIDINYL-4-YL)- METHANONE
    49177 ZEP 1 C20 H21 F N2 O2 S2 InChI=1S/C20H21FN2O2S2/c1
    -3-23(4-2)27(24,25)17-11-
    9-15(10-12-17)19-14-26-20
    (22-19)13-16-7-5-6-8-18(1
    6)21/h5-12,14H,3-4,13H2,1
    -2H3;
    PZNJPNGENGJLBG-UHFFFAOYSA-N    		 CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(n2)Cc3cc
    ccc3F; CCN(CC)S(=O)(=O)c1ccc(cc1)c1csc(C
    c2ccccc2F)n1; CCN(CC)[S](=O)(=O)c1ccc(cc
    1)c2csc(Cc3ccccc3F)n2    		 N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide
    49178 ZER
    CHEMBL454173
    ZINC000003881412    		 23 C18 H22 O5 InChI=1S/C18H22O5/c1-12-6
    -5-9-14(19)8-4-2-3-7-13-1
    0-15(20)11-16(21)17(13)18
    (22)23-12/h3,7,10-12,20-2
    1H,2,4-6,8-9H2,1H3/b7-3+/
    t12-/m0/s1;
    MBMQEIFVQACCCH-QBODLPLBSA-N    		 CC1CCCC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)O;
    O=C1OC(CCCC(=O)CCCC=Cc2cc(O)cc(O)c12)C;
    C[C@H]1CCCC(=O)CCC/C=C/c2cc(cc(c2C(=O)O1
    )O)O; C[C@H]1CCCC(=O)CCC\C=C\c2cc(O)cc(O
    )c2C(=O)O1; C[CH]1CCCC(=O)CCCC=Cc2cc(O)c
    c(O)c2C(=O)O1    		 (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione;
    Zearalenone
    49179 ZES
    CHEMBL10413
    DB02132
    ZINC000000596737    		 1 C17 H11 Br Cl F N2 O4 InChI=1S/C17H11BrClFN2O4/
    c18-10-2-1-9(13(20)5-10)7
    -22-16(25)12-4-3-11(19)6-
    14(12)21(17(22)26)8-15(23
    )24/h1-6H,7-8H2,(H,23,24);
    SXONDGSPUVNZLO-UHFFFAOYSA-N    		 OC(=O)CN1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c3cc
    c(Cl)cc13; c1cc2c(cc1Cl)N(C(=O)N(C2=O)Cc
    3ccc(cc3F)Br)CC(=O)O; Brc1ccc(c(F)c1)CN3
    C(=O)c2c(cc(Cl)cc2)N(C3=O)CC(=O)O    		 [3-(4-BROMO-2-FLUORO-BENZYL)-7-CHLORO-2,4-DIOXO-3,4-DIHYDRO-2H-QUINAZOLIN-1-YL]-ACETIC ACID
    49180 ZEU
    ZINC000002569273    		 0 C9 H18 O3 InChI=1S/C9H18O3/c10-8-6-
    4-2-1-3-5-7-9(11)12/h10H,
    1-8H2,(H,11,12);
    AFZMICRBFKZNIH-UHFFFAOYSA-N    		 O=C(O)CCCCCCCCO; C(CCCCO)CCCC(=O)O; OCCC
    CCCCCC(O)=O    		 9-hydroxynonanoic acid
    49181 ZEV 1 C20 H20 F2 N10 O9 P2 S2 InChI=1S/C20H22F2N10O9P2S
    2/c21-8-6-1-36-42(34,44)4
    0-12-7(39-18(9(12)22)31-4
    -27-10-14(23)25-3-26-15(1
    0)31)2-37-43(35,45)41-13(
    8)19(38-6)32-5-28-11-16(3
    2)29-20(24)30-17(11)33/h3
    -9,12-13,18-19H,1-2H2,(H,
    34,44)(H,35,45)(H2,23,25,
    26)(H3,24,29,30,33)/p-2/t
    6-,7-,8-,9+,12-,13-,18-,1
    9-,42-,43-/m1/s1;
    YSUIQYOGTINQIN-CLMXYZJCSA-L    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@@H]4CO[P
    @@]([O-])(=S)O[C@H]5[C@H](F)[C@@H](O[C@@
    H]5CO[P@@]([O-])(=S)O[C@@H]3[C@@H]4F)n6c
    nc7c(N)ncnc67; c1nc(c2c(n1)n(cn2)[C@H]3[
    C@H]([C@H]4[C@H](O3)CO[P@@](=S)(O[C@@H]5
    [C@@H]([C@@H](CO[P@@](=S)(O4)[O-])O[C@H]
    5n6cnc7c6N=C(NC7=O)N)F)[O-])F)N; c1nc(c2
    c(n1)n(cn2)C3C(C4C(O3)COP(=S)(OC5C(C(COP
    (=S)(O4)[O-])OC5n6cnc7c6N=C(NC7=O)N)F)[O
    -])F)N; NC1=Nc2c(ncn2C2OC3COP([O-])(=S)O
    C4C(F)C(OC4COP([O-])(=S)OC2C3F)n2cnc3c(N
    )ncnc32)C(=O)N1; NC1=Nc2n(cnc2C(=O)N1)[C
    H]3O[CH]4CO[P]([O-])(=S)O[CH]5[CH](F)[CH
    ](O[CH]5CO[P]([O-])(=S)O[CH]3[CH]4F)n6cn
    c7c(N)ncnc67    		 (2R,5R,7R,8S,10R,12aR,14R,15S,15aR,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-difluoro-2,10-bis(sulfanyl)octahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
    49182 ZEX 200 C40 H56 O2 InChI=1S/C40H56O2/c1-29(1
    7-13-19-31(3)21-23-35-25-
    34(6)38(42)28-39(35,7)8)1
    5-11-12-16-30(2)18-14-20-
    32(4)22-24-37-33(5)26-36(
    41)27-40(37,9)10/h11-25,3
    4,36,38,41-42H,26-28H2,1-
    10H3/b12-11+,17-13+,18-14
    +,23-21+,24-22+,29-15+,30
    -16+,31-19+,32-20+/t34-,3
    6-,38+/m0/s1;
    YRMDXLDAZBQLBK-WIHRHFSMSA-N    		 C[CH]1C=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=C
    C=C(C)C=CC2=C(C)C[CH](O)CC2(C)C)C(C)(C)C
    [CH]1O; CC1C=C(C(CC1O)(C)C)C=CC(=C\C=C\C
    (=CC=CC=C(C)C=C\C=C(/C)\C=CC2=C(C[C@@H](
    CC2(C)C)O)C)C)C; OC2CC(=C(\C=C\C(=C\C=C\
    C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=CC(C)C(O)C
    C1(C)C)C)C)C)C)C(C)(C)C2)C; CC1C=C(C(CC1
    O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C
    =CC2=C(CC(CC2(C)C)O)C)C)C; C[C@H]1C=C(/C
    =C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(
    C)/C=C/C2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C[
    C@H]1O    		 (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol
    49183 ZEZ
    ZINC000013523718    		 2 C10 H13 N5 O InChI=1S/C10H13N5O/c1-7(4
    -16)2-3-11-9-8-10(13-5-12
    -8)15-6-14-9/h2,5-6,16H,3
    -4H2,1H3,(H2,11,12,13,14,
    15)/b7-2-;
    UZKQTCBAMSWPJD-UQCOIBPSSA-N    		 CC(=CCNc1c2c([nH]cn2)ncn1)CO; n2c1c(ncn1
    )c(nc2)NC/C=C(/C)CO; CC(CO)=CCNc1ncnc2[n
    H]cnc12; C\C(CO)=C\CNc1ncnc2[nH]cnc12; C
    /C(=C/CNc1c2c([nH]cn2)ncn1)/CO    		 (2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol;
    CIS-ZEATIN
    49184 ZF0
    CHEMBL274573
    ZINC000002015949    		 0 C8 H11 N InChI=1S/C8H11N/c1-7-3-2-
    4-8(5-7)6-9/h2-5H,6,9H2,1
    H3;
    RGXUCUWVGKLACF-UHFFFAOYSA-N    		 Cc1cccc(c1)CN; NCc1cccc(c1)C; Cc1cccc(CN
    )c1    		 1-(3-methylphenyl)methanamine
    49185 ZF1
    CHEMBL8145
    DB13182
    ZINC000018847034    		 4 C15 H10 O4 InChI=1S/C15H10O4/c16-10-
    3-1-9(2-4-10)13-8-19-14-7
    -11(17)5-6-12(14)15(13)18
    /h1-8,16-17H;
    ZQSIJRDFPHDXIC-UHFFFAOYSA-N    		 c1cc(ccc1C2=COc3cc(ccc3C2=O)O)O; O=C1c3c
    (OC=C1c2ccc(O)cc2)cc(O)cc3; Oc1ccc(cc1)C
    2=COc3cc(O)ccc3C2=O    		 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
    49186 ZF7 1 C28 H31 F6 N O3 InChI=1S/C28H31F6NO3/c1-1
    5(35-20-7-8-21(35)13-18(1
    2-20)26(36)37)17-3-2-16-4
    -11-24(25(23(16)14-17)28(
    32,33)34)38-22-9-5-19(6-1
    0-22)27(29,30)31/h2-4,11,
    14-15,18-22H,5-10,12-13H2
    ,1H3,(H,36,37)/t15-,18-,1
    9-,20+,21-,22+/m0/s1;
    PZASAAIJIFDWSB-CUWQMCGTSA-N    		 CC(c1ccc2ccc(c(c2c1)C(F)(F)F)OC3CCC(CC3)
    C(F)(F)F)N4C5CCC4CC(C5)C(=O)O; C[C@H](N1
    [C@@H]2CC[C@H]1C[C@H](C2)C(O)=O)c3ccc4cc
    c(O[C@@H]5CC[C@@H](CC5)C(F)(F)F)c(c4c3)C
    (F)(F)F; FC(F)(F)C1CCC(CC1)Oc1ccc2ccc(cc
    2c1C(F)(F)F)C(C)N1C2CC(CC1CC2)C(=O)O; C[
    C@@H](c1ccc2ccc(c(c2c1)C(F)(F)F)OC3CCC(C
    C3)C(F)(F)F)N4[C@@H]5CC[C@H]4CC(C5)C(=O)
    O; C[CH](N1[CH]2CC[CH]1C[CH](C2)C(O)=O)c
    3ccc4ccc(O[CH]5CC[CH](CC5)C(F)(F)F)c(c4c
    3)C(F)(F)F    		 (1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid;
    BIO-32546
    49187 ZF9 4 C10 H19 N5 O22 P6 InChI=1S/C10H19N5O22P6/c1
    1-8-5-9(13-2-12-8)15(3-14
    -5)10-7(17)6(16)4(32-10)1
    -31-39(21,22)34-41(25,26)
    36-43(29,30)37-42(27,28)3
    5-40(23,24)33-38(18,19)20
    /h2-4,6-7,10,16-17H,1H2,(
    H,21,22)(H,23,24)(H,25,26
    )(H,27,28)(H,29,30)(H2,11
    ,12,13)(H2,18,19,20)/t4-,
    6-,7-,10-/m1/s1;
    MCJDQUICRUJHMC-KQYNXXCUSA-N    		 O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=
    O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(
    O)C1O; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](
    O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O
    [P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O; Nc
    1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)
    O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)
    (=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O; c1nc(
    c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)
    (O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
    )O)O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([
    C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)
    (O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N    		 adenosine 5'-hexaphosphate
    49188 ZFB
    DB02766
    ZINC000103562579    		 4 C18 H18 N3 O3 InChI=1S/C18H17N3O3/c19-2
    0-12-17(22)16(11-14-7-3-1
    -4-8-14)21-18(23)24-13-15
    -9-5-2-6-10-15/h1-10,16H,
    11-13H2/p+1/t16-/m1/s1;
    VLIGBVLLNSWVMI-MRXNPFEDSA-O    		 c1ccc(cc1)CC(C(=O)C[N+]#N)NC(=O)OCc2cccc
    c2; N#[N+]CC(=O)C(NC(=O)OCc1ccccc1)Cc2cc
    ccc2; O=C(N[C@H](Cc1ccccc1)C(=O)C[N+]#N)
    OCc2ccccc2; O=C(N[CH](Cc1ccccc1)C(=O)C[N
    +]#N)OCc2ccccc2; c1ccc(cc1)C[C@H](C(=O)C
    [N+]#N)NC(=O)OCc2ccccc2    		 (3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}-2-OXO-4-PHENYLBUTANE-1-DIAZONIUM
    49189 ZFC
    CHEMBL444525
    ZINC000001596062    		 10 C11 H24 O InChI=1S/C11H24O/c1-2-3-4
    -5-6-7-8-9-10-11-12/h12H,
    2-11H2,1H3;
    KJIOQYGWTQBHNH-UHFFFAOYSA-N    		 OCCCCCCCCCCC; CCCCCCCCCCCO undecan-1-ol
    49190 ZFG 4 C16 H19 N S InChI=1S/C16H19NS/c1-5-12
    (2)15-10-11-16(18-15)13-6
    -8-14(9-7-13)17(3)4/h5-11
    H,1-4H3/b12-5+;
    AMMZMSCAYJQWSM-LFYBBSHMSA-N    		 C\C=C(/C)c1sc(cc1)c2ccc(cc2)N(C)C; CC=C(
    C)c1ccc(s1)c2ccc(cc2)N(C)C; C/C=C(\C)/c1
    ccc(s1)c2ccc(cc2)N(C)C; C/C(=C\C)c1ccc(s
    1)c1ccc(cc1)N(C)C; CC=C(C)c1sc(cc1)c2ccc
    (cc2)N(C)C    		 4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline
    49191 ZFI
    ZINC000000346135    		 2 C9 H11 N O3 S InChI=1S/C9H11NO3S/c1-7(1
    1)10-8-5-3-4-6-9(8)14(2,1
    2)13/h3-6H,1-2H3,(H,10,11
    );
    NGWCPCSZLLJKPD-UHFFFAOYSA-N    		 CC(=O)Nc1ccccc1S(=O)(=O)C; CC(=O)Nc1cccc
    c1[S](C)(=O)=O; O=S(C)(=O)c1ccccc1NC(C)=
    O    		 N-[2-(methanesulfonyl)phenyl]acetamide
    49192 ZFJ 20 C22 H27 N InChI=1S/C22H27N/c1-6-9-1
    6-10-12-18-19-13-11-17(23
    (7-2)8-3)15-21(19)22(4,5)
    20(18)14-16/h6,9-15H,7-8H
    2,1-5H3/b9-6+;
    UMARKYXLRJLTSK-RMKNXTFCSA-N    		 CCN(CC)c1ccc2c3ccc(C=CC)cc3C(C)(C)c2c1;
    CCN(CC)c1ccc2c3ccc(\C=C\C)cc3C(C)(C)c2c1
    ; CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)C=CC)(
    C)C; CCN(CC)c1ccc2c3ccc(cc3C(C)(C)c2c1)\
    C=C\C; CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)/
    C=C/C)(C)C    		 (4aP)-N,N-diethyl-9,9-dimethyl-7-[(1E)-prop-1-en-1-yl]-9H-fluoren-2-amine
    49193 ZFP 3 C17 H19 N S InChI=1S/C17H19NS/c1-3-13
    (2)16-9-10-17(19-16)14-5-
    7-15(8-6-14)18-11-4-12-18
    /h3,5-10H,4,11-12H2,1-2H3
    /b13-3+;
    UJDWZSVKXHLFTM-QLKAYGNNSA-N    		 C/C=C(\C)/c1ccc(s1)c2ccc(cc2)N3CCC3; CC=
    C(C)c1sc(cc1)c2ccc(cc2)N3CCC3; CC=C(C)c1
    ccc(s1)c2ccc(cc2)N3CCC3; C/C=C(C)/c1sc(c
    c1)c2ccc(cc2)N3CCC3; C/C(=C\C)c1ccc(s1)c
    1ccc(cc1)N1CCC1    		 1-(4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine
    49194 ZFR
    ZINC000584905723    		 6 C17 H24 O4 InChI=1S/C17H24O4/c1-13(1
    8)6-5-9-15(19)8-4-2-3-7-1
    4-10-16(20)12-17(21)11-14
    /h3,7,10-13,18,20-21H,2,4
    -6,8-9H2,1H3/b7-3+/t13-/m
    0/s1;
    TVXRLKRGDWQGQV-MXPWBENCSA-N    		 C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1)O)O)O
    ; C[C@H](O)CCCC(=O)CCC\C=C\c1cc(O)cc(O)c
    1; CC(CCCC(=O)CCCC=Cc1cc(cc(c1)O)O)O; C[
    CH](O)CCCC(=O)CCCC=Cc1cc(O)cc(O)c1; c1c(
    O)cc(cc1\C=C\CCCC(=O)CCCC(O)C)O    		 (1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one
    49195 ZFS
    CHEMBL1992306
    ZINC000063298382    		 4 C21 H17 F3 N4 O3 InChI=1S/C21H17F3N4O3/c1-
    25-19(29)18-12-17(9-10-26
    -18)31-16-7-5-14(6-8-16)2
    7-20(30)28-15-4-2-3-13(11
    -15)21(22,23)24/h2-12H,1H
    3,(H,25,29)(H2,27,28,30);
    WFTZMAAMCVPJJT-UHFFFAOYSA-N    		 CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc
    c(c3)C(F)(F)F; CNC(=O)c1cc(Oc2ccc(NC(=O)
    Nc3cccc(c3)C(F)(F)F)cc2)ccn1; O=C(NC)c1c
    c(Oc2ccc(NC(=O)Nc3cc(ccc3)C(F)(F)F)cc2)c
    cn1    		 N-methyl-4-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]pyridine-2-carboxamide
    49196 ZFW 1 C25 H34 Cl N5 O7 InChI=1S/C25H34ClN5O7/c1-
    11(2)37-17-9-14(12(3)8-16
    (17)29-25-28-10-15(26)22(
    27)30-25)13-4-6-31(7-5-13
    )23-20(34)18(32)19(33)21(
    38-23)24(35)36/h8-11,13,1
    8-21,23,32-34H,4-7H2,1-3H
    3,(H,35,36)(H3,27,28,29,3
    0)/t18-,19-,20+,21-,23+/m
    0/s1;
    SFTKCGCNKCPXPY-KHYDEXNFSA-N    		 CC(C)Oc1cc(c(C)cc1Nc1nc(N)c(Cl)cn1)C1CCN
    (CC1)C1OC(C(O)C(O)C1O)C(=O)O; Cc1cc(c(cc
    1C2CCN(CC2)C3C(C(C(C(O3)C(=O)O)O)O)O)OC(
    C)C)Nc4ncc(c(n4)N)Cl; Cc1cc(c(cc1C2CCN(C
    C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(
    =O)O)O)O)O)OC(C)C)Nc4ncc(c(n4)N)Cl; CC(C
    )Oc1cc(C2CCN(CC2)[CH]3O[CH]([CH](O)[CH](
    O)[CH]3O)C(O)=O)c(C)cc1Nc4ncc(Cl)c(N)n4;
    CC(C)Oc1cc(C2CCN(CC2)[C@@H]3O[C@@H]([C@
    @H](O)[C@H](O)[C@H]3O)C(O)=O)c(C)cc1Nc4n
    cc(Cl)c(N)n4    		 4-amino-5-chloro-2-{4-(1-beta-D-glucopyranuronosylpiperidin-4-yl)-5-methyl-2-[(propan-2-yl)oxy]anilino}pyrimidine
    49197 ZFY
    CHEMBL5283284    		 8 C20 H19 F3 N6 O3 S2 InChI=1S/C20H19F3N6O3S2/c
    1-19(2,15-10-33-18(27-15)
    29-34(31,32)12-4-5-12)17(
    30)28-16-6-3-11(7-25-16)1
    3-8-24-9-14(26-13)20(21,2
    2)23/h3,6-10,12H,4-5H2,1-
    2H3,(H,27,29)(H,25,28,30);
    CZIDGRDZSFIUHX-UHFFFAOYSA-N    		 O=S(=O)(Nc1nc(cs1)C(C)(C)C(=O)Nc1ccc(cn1
    )c1cncc(n1)C(F)(F)F)C1CC1; CC(C)(c1csc(n
    1)NS(=O)(=O)C2CC2)C(=O)Nc3ccc(cn3)c4cncc
    (n4)C(F)(F)F; CC(C)(C(=O)Nc1ccc(cn1)c2cn
    cc(n2)C(F)(F)F)c3csc(N[S](=O)(=O)C4CC4)n
    3    		 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide
    49198 ZG0
    CHEMBL1528164
    ZINC000000153024    		 1 C9 H11 N O InChI=1S/C9H11NO/c1-7-4-3
    -5-9(6-7)10-8(2)11/h3-6H,
    1-2H3,(H,10,11);
    ALMHSXDYCFOZQD-UHFFFAOYSA-N    		 CC(=O)Nc1cccc(C)c1; Cc1cccc(c1)NC(=O)C;
    O=C(C)Nc1cc(C)ccc1    		 N-(3-methylphenyl)acetamide
    49199 ZG1
    ZINC000038906537    		 1 C21 H27 N7 O3 InChI=1S/C21H27N7O3/c1-2-
    28-20-15(13-23-28)19(24-1
    4-5-9-30-10-6-14)16(12-22
    -20)21-25-17(26-31-21)11-
    18(29)27-7-3-4-8-27/h12-1
    4H,2-11H2,1H3,(H,22,24);
    WVSSDMGQAQMULY-UHFFFAOYSA-N    		 CCn1c2c(cn1)c(c(cn2)c3nc(no3)CC(=O)N4CCC
    C4)NC5CCOCC5; CCn1ncc2c(NC3CCOCC3)c(cnc1
    2)c4onc(CC(=O)N5CCCC5)n4; O=C(N1CCCC1)Cc
    2nc(on2)c4c(NC3CCOCC3)c5cnn(c5nc4)CC    		 1-ethyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine
    49200 ZG2
    ZINC000098209663    		 1 C29 H34 N6 O3 InChI=1S/C29H34N6O3/c1-2-
    35-28-22(19-31-35)27(32-2
    1-10-14-37-15-11-21)23(18
    -30-28)29-33-24(17-26(36)
    34-12-6-7-13-34)25(38-29)
    16-20-8-4-3-5-9-20/h3-5,8
    -9,18-19,21H,2,6-7,10-17H
    2,1H3,(H,30,32);
    XOLUUYCIKUMYDW-UHFFFAOYSA-N    		 O=C(N1CCCC1)Cc2nc(oc2Cc3ccccc3)c4c(c5c(n
    c4)n(nc5)CC)NC6CCOCC6; CCn1c2c(cn1)c(c(c
    n2)c3nc(c(o3)Cc4ccccc4)CC(=O)N5CCCC5)NC6
    CCOCC6; CCn1ncc2c(NC3CCOCC3)c(cnc12)c4oc
    (Cc5ccccc5)c(CC(=O)N6CCCC6)n4    		 5-[5-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazol-2-yl]-1-ethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine
    Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).