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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 hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    21201
    GIS
    ZINC000002047020    		 1 C12 H14 Cl N3 O4 InChI=1S/C12H14ClN3O4/c1-
    2-20-11(19)9(13)7-4-3-6(1
    6-12(14)15)5-8(7)10(17)18
    /h3-5,9H,2H2,1H3,(H,17,18
    )(H4,14,15,16)/t9-/m0/s1;
    HIYFNBISGUASFH-VIFPVBQESA-N    		 CCOC(=O)C(c1ccc(cc1C(=O)O)NC(=N)N)Cl; CC
    OC(=O)[C@H](c1ccc(cc1C(=O)O)NC(=N)N)Cl;
    CCOC(=O)[CH](Cl)c1ccc(NC(N)=N)cc1C(O)=O;
    CCOC(=O)[C@@H](Cl)c1ccc(NC(N)=N)cc1C(O)
    =O; O=C(OCC)C(Cl)c1c(cc(NC(=[N@H])N)cc1)
    C(=O)O    		 ETHYL-(2-CARBOXY-4-GUANIDINIUM-PHENYL)-CHLOROACETATE
    21202
    GIT    		 1 C20 H20 N4 O3 InChI=1S/C20H20N4O3/c1-15
    (25)13-24-18(19(22-23-24)
    17-10-6-3-7-11-17)14-27-2
    0(26)21-12-16-8-4-2-5-9-1
    6/h2-11H,12-14H2,1H3,(H,2
    1,26);
    WXRQXWFHRZFFIN-UHFFFAOYSA-N    		 CC(=O)Cn1c(c(nn1)c2ccccc2)COC(=O)NCc3ccc
    cc3; O=C(C)Cn1nnc(c2ccccc2)c1COC(=O)NCc1
    ccccc1; CC(=O)Cn1nnc(c1COC(=O)NCc2ccccc2
    )c3ccccc3    		 [1-(2-oxopropyl)-4-phenyl-1H-1,2,3-triazol-5-yl]methyl benzylcarbamate
    21203
    GIU
    ZINC000006745127    		 1 C13 H15 N3 O2 S InChI=1S/C13H15N3O2S/c17-
    19(18,16-11-4-6-15-9-11)1
    3-3-1-2-10-8-14-7-5-12(10
    )13/h1-3,5,7-8,11,15-16H,
    4,6,9H2/t11-/m0/s1;
    DPOHKNPOBZVTBK-NSHDSACASA-N    		 c1cc2cnccc2c(c1)S(=O)(=O)N[C@H]3CCNC3; O
    =[S](=O)(N[CH]1CCNC1)c2cccc3cnccc23; c1c
    c2cnccc2c(c1)S(=O)(=O)NC3CCNC3; O=[S](=O
    )(N[C@H]1CCNC1)c2cccc3cnccc23    		 ~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide
    21204
    GIV
    ZINC000000895055    		 15 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-KGJVWPDLSA-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; OC1C(
    O)C(OC(O)C1O)CO    		 beta-L-galactopyranose;
    beta-L-galactose;
    L-galactose;
    galactose
    21205
    GIW    		 5 C5 H8 O2 S2 InChI=1S/C5H8O2S2/c6-4(7)
    5-8-2-1-3-9-5/h5H,1-3H2,(
    H,6,7);
    BZBYEAWKJNCPLB-UHFFFAOYSA-N    		 OC(=O)C1SCCCS1; C1CSC(SC1)C(=O)O; O=C(O)
    C1SCCCS1    		 1,3-dithiane-2-carboxylic acid
    21206
    GIX    		 2 C34 H32 Ga N4 O4 InChI=1S/C34H34N4O4.Ga/c1
    -7-21-17(3)25-13-26-19(5)
    23(9-11-33(39)40)31(37-26
    )16-32-24(10-12-34(41)42)
    20(6)28(38-32)15-30-22(8-
    2)18(4)27(36-30)14-29(21)
    35-25;/h7-8,13-16H,1-2,9-
    12H2,3-6H3,(H4,35,36,37,3
    8,39,40,41,42);/q;+7/p-2/
    b25-13-,26-13-,27-14-,28-
    15-,29-14-,30-15-,31-16-,
    32-16-;;
    XUFWVOPKBVHDTA-RGGAHWMASA-L    		 CC1=C(CCC(O)=O)C2=CC3=[N@@+]4C(=Cc5n6c(C
    =C7C(=C(C)C8=[N@@+]7[Ga+3]46[N@@]2C1=C8)
    C=C)c(C)c5C=C)C(=C3CCC(O)=O)C; Cc1c2cc3[
    n+]4c(cc5c(c(c6n5[Ga+3]47n2c(c1CCC(=O)O)
    cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3
    C)C=C; CC1=C(CCC(O)=O)C2=CC3=[N+]4C(=Cc5
    n6c(C=C7C(=C(C)C8=[N+]7[Ga+3]46[N]2C1=C8
    )C=C)c(C)c5C=C)C(=C3CCC(O)=O)C    		 PROTOPORPHYRIN IX CONTAINING GA
    21207
    GIY    		 2 C22 H22 N6 O5 S2 InChI=1S/C22H22N6O5S2/c1-
    33-17-7-5-15(6-8-17)12-19
    (22(29)26-30)28-14-16(25-
    27-28)13-24-35(31,32)21-1
    0-9-20(34-21)18-4-2-3-11-
    23-18/h2-11,14,19,24,30H,
    12-13H2,1H3,(H,26,29)/t19
    -/m0/s1;
    VCCACZUFRCVVFN-IBGZPJMESA-N    		 COc1ccc(cc1)CC(C(=O)NO)n2cc(nn2)CNS(=O)(
    =O)c3ccc(s3)c4ccccn4; COc1ccc(C[CH](n2cc
    (CN[S](=O)(=O)c3sc(cc3)c4ccccn4)nn2)C(=O
    )NO)cc1; COc1ccc(cc1)C[C@@H](C(=O)NO)n2c
    c(nn2)CNS(=O)(=O)c3ccc(s3)c4ccccn4; COc1
    ccc(C[C@H](n2cc(CN[S](=O)(=O)c3sc(cc3)c4
    ccccn4)nn2)C(=O)NO)cc1; O=S(=O)(NCc1cn(n
    n1)C(Cc1ccc(OC)cc1)C(=O)NO)c1ccc(s1)c1nc
    ccc1    		 (2S)-N-hydroxy-3-(4-methoxyphenyl)-2-[4-({[5-(pyridin-2-yl)thiophene-2-sulfonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]propanamide
    21208
    GIZ
    CHEMBL5194936    		 1 C24 H37 N5 O S InChI=1S/C24H37N5OS/c1-5-
    20-22(18(4)30)17(3)25-23(
    20)21-16-31-24(26-21)29-1
    3-11-28(12-14-29)15-19-7-
    9-27(6-2)10-8-19/h16,19,2
    5H,5-15H2,1-4H3;
    USUFEOMHJBVZED-UHFFFAOYSA-N    		 CCc1c(c([nH]c1c2csc(n2)N3CCN(CC3)CC4CCN(
    CC4)CC)C)C(=O)C; CCN1CCC(CC1)CN2CCN(CC2)
    c3scc(n3)c4[nH]c(C)c(C(C)=O)c4CC    		 1-[4-ethyl-5-[2-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2-methyl-1~{H}-pyrrol-3-yl]ethanone
    21209
    GJ0
    CHEMBL1628669
    ZINC000013831242    		 4 C16 H13 Br F2 N2 O4 InChI=1S/C16H13BrF2N2O4/c
    17-10-5-11(18)12(19)6-14(
    10)25-9-3-1-8(2-4-9)21-15
    (22)7-13(20)16(23)24/h1-6
    ,13H,7,20H2,(H,21,22)(H,2
    3,24)/t13-/m0/s1;
    BNYDDAAZMBUFRG-ZDUSSCGKSA-N    		 N[CH](CC(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1
    )C(O)=O; c1cc(ccc1NC(=O)C[C@@H](C(=O)O)N
    )Oc2cc(c(cc2Br)F)F; N[C@@H](CC(=O)Nc1ccc
    (Oc2cc(F)c(F)cc2Br)cc1)C(O)=O; c1cc(ccc1
    NC(=O)CC(C(=O)O)N)Oc2cc(c(cc2Br)F)F    		 (2S)-2-azanyl-4-[[4-[2-bromanyl-4,5-bis(fluoranyl)phenoxy]phenyl]amino]-4-oxidanylidene-butanoic acid;
    WAY-213613
    21210
    GJ1    		 3 C15 H17 N O3 InChI=1S/C15H17NO3/c1-11-
    8-14(18-2)6-7-15(11)19-10
    -13-5-3-4-12(9-17)16-13/h
    3-8,17H,9-10H2,1-2H3;
    GBTFLQPUSKDFPL-UHFFFAOYSA-N    		 COc1ccc(OCc2cccc(CO)n2)c(C)c1; Cc1cc(ccc
    1OCc2cccc(n2)CO)OC; c2(OCc1cccc(n1)CO)cc
    c(cc2C)OC    		 {6-[(4-methoxy-2-methylphenoxy)methyl]pyridin-2-yl}methanol
    21211
    GJ2    		 1 C18 H17 F3 N2 O4 S2 InChI=1S/C18H17F3N2O4S2/c
    19-18(20,21)12-14-23-29(2
    6,27)17-10-8-15(9-11-17)5
    -4-13-22-28(24,25)16-6-2-
    1-3-7-16/h1-3,6-11,22-23H
    ,12-14H2;
    YOHZJJJIFGXOPP-UHFFFAOYSA-N    		 c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(
    =O)NCCC(F)(F)F; FC(F)(F)CCN[S](=O)(=O)c1
    ccc(cc1)C#CCN[S](=O)(=O)c2ccccc2    		 4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
    21212
    GJ3    		 1 C32 H49 N5 O7 InChI=1S/C32H49N5O7/c1-21
    (44-32(3,4)5)27(35-31(42)
    43-20-24-14-10-7-11-15-24
    )30(41)34-26(18-23-12-8-6
    -9-13-23)29(40)36-37(22(2
    )38)19-25-16-17-33-28(25)
    39/h7,10-11,14-15,21,23,2
    5-27H,6,8-9,12-13,16-20H2
    ,1-5H3,(H,33,39)(H,34,41)
    (H,35,42)(H,36,40)/t21-,2
    5+,26+,27+/m1/s1;
    LQGMWKMFHKDJKF-FBZFJNBBSA-N    		 CC(C(C(=O)NC(CC1CCCCC1)C(=O)NN(CC2CCNC2=
    O)C(=O)C)NC(=O)OCc3ccccc3)OC(C)(C)C; CC(
    C)(C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1
    CCCCC1)C(=O)NN(CC1CCNC1=O)C(C)=O; C[CH](
    OC(C)(C)C)[CH](NC(=O)OCc1ccccc1)C(=O)N[C
    H](CC2CCCCC2)C(=O)NN(C[CH]3CCNC3=O)C(C)=
    O; C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccc
    cc1)C(=O)N[C@@H](CC2CCCCC2)C(=O)NN(C[C@@
    H]3CCNC3=O)C(C)=O; C[C@H]([C@@H](C(=O)N[
    C@@H](CC1CCCCC1)C(=O)NN(C[C@@H]2CCNC2=O)
    C(=O)C)NC(=O)OCc3ccccc3)OC(C)(C)C    		 benzyl [(2S,3R)-1-{[(2S)-1-(2-acetyl-2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}hydrazinyl)-3-cyclohexyl-1-oxopropan-2-yl]amino}-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)
    21213
    GJ4    		 1 C21 H31 N5 O3 S InChI=1S/C21H31N5O3S/c1-4
    -15-18(14(3)28)13(2)24-19
    (15)16-12-30-21(25-16)26-
    9-8-22-11-17(26)20(29)23-
    7-5-6-10-27/h12,17,22,24,
    27H,4-11H2,1-3H3,(H,23,29
    )/t17-/m1/s1;
    BZHIMJWVFLBIRF-QGZVFWFLSA-N    		 CCc1c(c([nH]c1c2csc(n2)N3CCNC[C@@H]3C(=O
    )NCCCCO)C)C(=O)C; CCc1c(c([nH]c1c2csc(n2
    )N3CCNCC3C(=O)NCCCCO)C)C(=O)C; CCc1c([nH
    ]c(C)c1C(C)=O)c2csc(n2)N3CCNC[C@@H]3C(=O
    )NCCCCO; CCc1c([nH]c(C)c1C(C)=O)c2csc(n2
    )N3CCNC[CH]3C(=O)NCCCCO    		 (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-(4-oxidanylbutyl)piperazine-2-carboxamide
    21214
    GJ5    		 1 C17 H19 F3 N2 O S InChI=1S/C17H19F3N2OS/c1-
    11(2)9-15-22-14(10-24-15)
    12-3-5-13(6-4-12)16(23)21
    -8-7-17(18,19)20/h3-6,10-
    11H,7-9H2,1-2H3,(H,21,23);
    UBQMCDSKFNKYKI-UHFFFAOYSA-N    		 CC(C)Cc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)
    F; CC(C)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)
    (F)F    		 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
    21215
    GJ6
    CHEMBL6913
    ZINC000011422450    		 1 C13 H19 N O3 InChI=1S/C13H19NO3/c1-7(2
    )14-10-5-3-9-8(12(10)16)4
    -6-11(15)13(9)17/h4,6-7,1
    0,12,14-17H,3,5H2,1-2H3/t
    10-,12-/m1/s1;
    VYPNBBZHLGJXPR-ZYHUDNBSSA-N    		 CC(C)N[C@@H]1CCc2c(ccc(c2O)O)[C@H]1O; CC
    (C)N[CH]1CCc2c(O)c(O)ccc2[CH]1O; CC(C)N[
    C@@H]1CCc2c(O)c(O)ccc2[C@H]1O; CC(C)NC1C
    Cc2c(ccc(c2O)O)C1O    		 (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol
    21216
    GJ7    		 1 C26 H26 N4 O4 InChI=1S/C26H26N4O4/c1-2-
    24(31)30-16-17-14-18(30)1
    5-29(17)23-13-12-22(25(27
    )32)26(28-23)34-21-10-8-2
    0(9-11-21)33-19-6-4-3-5-7
    -19/h3-13,17-18H,2,14-16H
    2,1H3,(H2,27,32)/t17-,18-
    /m0/s1;
    DQFJRLJIIQKNPY-ROUUACIJSA-N    		 CCC(=O)N1C[CH]2C[CH]1CN2c3ccc(C(N)=O)c(O
    c4ccc(Oc5ccccc5)cc4)n3; CCC(=O)N1C[C@@H]
    2C[C@H]1CN2c3ccc(C(N)=O)c(Oc4ccc(Oc5cccc
    c5)cc4)n3; CCC(=O)N1C2CC(C1)N(C2)c5ccc(C
    (N)=O)c(Oc4ccc(Oc3ccccc3)cc4)n5; CCC(=O)
    N1C[C@@H]2C[C@H]1CN2c3ccc(c(n3)Oc4ccc(cc
    4)Oc5ccccc5)C(=O)N; CCC(=O)N1CC2CC1CN2c3
    ccc(c(n3)Oc4ccc(cc4)Oc5ccccc5)C(=O)N    		 2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide
    21217
    GJ8    		 1 C20 H18 F3 N3 O3 S2 InChI=1S/C20H18F3N3O3S2/c
    21-20(22,23)10-11-24-19(2
    7)15-8-6-14(7-9-15)17-13-
    30-18(26-17)12-25-31(28,2
    9)16-4-2-1-3-5-16/h1-9,13
    ,25H,10-12H2,(H,24,27);
    WQGRXKYBROIBEJ-UHFFFAOYSA-N    		 c1ccc(cc1)S(=O)(=O)NCc2nc(cs2)c3ccc(cc3)
    C(=O)NCCC(F)(F)F; FC(F)(F)CCNC(=O)c1ccc(
    cc1)c2csc(CN[S](=O)(=O)c3ccccc3)n2    		 4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
    21218
    GJ9    		 3 C28 H38 N5 O4 S InChI=1S/C28H37N5O4S/c1-2
    0-17-21-5-2-9-29-25(21)26
    (27(20)37-16-3-6-24(35)36
    )32-11-4-10-31(14-15-32)1
    8-22-19-38-28(30-22)33-12
    -7-23(34)8-13-33/h2,5,9,1
    7,19,23,34H,3-4,6-8,10-16
    ,18H2,1H3,(H,35,36)/p+1;
    OROWGUJESLHVQL-UHFFFAOYSA-O    		 Cc1cc2cccnc2c(c1OCCCC(=O)O)N3CCC[NH+](CC
    3)Cc4csc(n4)N5CCC(CC5)O; O=C(O)CCCOc1c(C
    )cc2cccnc2c1N1CCC[NH+](CC1)Cc1csc(n1)N1C
    CC(O)CC1; Cc1cc2cccnc2c(N3CCC[NH+](CC3)C
    c4csc(n4)N5CCC(O)CC5)c1OCCCC(O)=O    		 (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium
    21219
    GJA
    CHEMBL4241920    		 1 C25 H24 N4 O4 InChI=1S/C25H24N4O4/c1-2-
    23(30)27-17-14-15-29(16-1
    7)22-13-12-21(24(26)31)25
    (28-22)33-20-10-8-19(9-11
    -20)32-18-6-4-3-5-7-18/h2
    -13,17H,1,14-16H2,(H2,26,
    31)(H,27,30)/t17-/m0/s1;
    VMINNJIVIPLCSD-KRWDZBQOSA-N    		 C=CC(=O)NC1CCN(C1)c2ccc(c(n2)Oc3ccc(cc3)
    Oc4ccccc4)C(=O)N; NC(=O)c1ccc(nc1Oc2ccc(
    Oc3ccccc3)cc2)N4CC[C@@H](C4)NC(=O)C=C; c
    1(nc(ccc1C(N)=O)N2CC(NC([C@H]=C)=O)CC2)O
    c4ccc(Oc3ccccc3)cc4; NC(=O)c1ccc(nc1Oc2c
    cc(Oc3ccccc3)cc2)N4CC[CH](C4)NC(=O)C=C;
    C=CC(=O)N[C@H]1CCN(C1)c2ccc(c(n2)Oc3ccc(
    cc3)Oc4ccccc4)C(=O)N    		 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
    21220
    GJB
    ZINC000004344385    		 4 C12 H12 N2 O3 InChI=1S/C12H12N2O3/c15-1
    0-8-11(16)14(12(17)13-10)
    7-6-9-4-2-1-3-5-9/h1-5H,6
    -8H2,(H,13,15,17);
    MHIKXQXNKSZIGX-UHFFFAOYSA-N    		 c1ccc(cc1)CCN2C(=O)CC(=O)NC2=O; O=C1CC(=
    O)N(CCc2ccccc2)C(=O)N1; O=C1N(C(=O)CC(=O
    )N1)CCc2ccccc2    		 1-(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
    21221
    GJC
    CHEMBL5186928    		 1 C21 H28 N8 O2 S InChI=1S/C21H28N8O2S/c1-4
    -16-19(14(3)30)13(2)23-20
    (16)17-12-32-21(24-17)28-
    7-5-27(6-8-28)9-15-10-29(
    26-25-15)11-18(22)31/h10,
    12,23H,4-9,11H2,1-3H3,(H2
    ,22,31);
    JHPCBFLUKPVPEM-UHFFFAOYSA-N    		 CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCN(CC
    3)Cc4cn(CC(N)=O)nn4; CCc1c(c([nH]c1c2csc
    (n2)N3CCN(CC3)Cc4cn(nn4)CC(=O)N)C)C(=O)C    		 2-[4-[[4-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,2,3-triazol-1-yl]ethanamide
    21222
    GJD    		 1 C12 H18 N6 O2 InChI=1S/C12H18N6O2/c1-2-
    9(19)16-7-3-4-18(6-7)12-1
    5-5-8(11(14)20)10(13)17-1
    2/h5,7H,2-4,6H2,1H3,(H2,1
    4,20)(H,16,19)(H2,13,15,1
    7)/t7-/m0/s1;
    RFNYKYSEMVFRHS-ZETCQYMHSA-N    		 c1(nc(N)c(C(=O)N)cn1)N2CC(NC(CC)=O)CC2;
    CCC(=O)NC1CCN(C1)c2ncc(c(n2)N)C(=O)N; CC
    C(=O)N[CH]1CCN(C1)c2ncc(C(N)=O)c(N)n2; C
    CC(=O)N[C@H]1CCN(C1)c2ncc(c(n2)N)C(=O)N;
    CCC(=O)N[C@H]1CCN(C1)c2ncc(C(N)=O)c(N)n
    2    		 4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
    21223
    GJE    		 1 C10 H9 F3 N4 O InChI=1S/C10H9F3N4O/c11-1
    0(12,13)5-6-15-9(18)7-1-3
    -8(4-2-7)16-17-14/h1-4H,5
    -6H2,(H,15,18);
    PCHDVKCHSJFSLZ-UHFFFAOYSA-N    		 FC(F)(F)CCNC(=O)c1ccc(cc1)N=[N+]=[N-]; c
    1cc(ccc1C(=O)NCCC(F)(F)F)N=[N+]=[N-]    		 4-azido-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
    21224
    GJF    		 4 C20 H24 N10 O10 P2 S2 InChI=1S/C20H24N10O10P2S2
    /c21-15-9-17(25-3-23-15)2
    9(5-27-9)19-12(32)13-8(38
    -19)2-36-42(34,44)40-14-1
    1(31)7(1-35-41(33,43)39-1
    3)37-20(14)30-6-28-10-16(
    22)24-4-26-18(10)30/h3-8,
    11-14,19-20,31-32H,1-2H2,
    (H,33,43)(H,34,44)(H2,21,
    23,25)(H2,22,24,26)/t7-,8
    -,11-,12-,13-,14-,19-,20-
    ,41+,42+/m1/s1;
    IZJJFUQKKZFVLH-ZPTFDBAZSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](S)(=O)O
    [CH]5[CH](O)[CH](CO[P](S)(=O)O[CH]4[CH]3
    O)O[CH]5n6cnc7c(N)ncnc67; c1nc(c2c(n1)n(
    cn2)C3C(C4C(O3)COP(=O)(OC5C(C(COP(=O)(O4
    )S)OC5n6cnc7c6ncnc7N)O)S)O)N; c1nc(c2c(n
    1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P
    @@](=O)(O[C@@H]5[C@@H]([C@@H](CO[P@@](=O
    )(O4)S)O[C@H]5n6cnc7c6ncnc7N)O)S)O)N; Nc
    1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P@@](S)(
    =O)O[C@@H]5[C@H](O)[C@@H](CO[P@@](S)(=O)
    O[C@H]4[C@H]3O)O[C@H]5n6cnc7c(N)ncnc67    		 (1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol
    21225
    GJG
    CHEMBL4279288
    ZINC000012857452    		 1 C12 H17 N3 O InChI=1S/C12H17N3O/c13-12
    (16)9-6-7-11(14-8-9)15-10
    -4-2-1-3-5-10/h6-8,10H,1-
    5H2,(H2,13,16)(H,14,15);
    DGZXVZSOZVPFDW-UHFFFAOYSA-N    		 NC(=O)c1ccc(NC2CCCCC2)nc1; c1cc(ncc1C(=O
    )N)NC2CCCCC2; n1cc(ccc1NC2CCCCC2)C(=O)N    		 6-(cyclohexylamino)pyridine-3-carboxamide
    21226
    GJI
    CHEMBL5186561    		 2 C16 H20 N4 O S InChI=1S/C16H20N4OS/c1-10
    -14-11(3-2-4-13(14)21)15(
    18-10)12-9-22-16(19-12)20
    -7-5-17-6-8-20/h9,17-18H,
    2-8H2,1H3;
    HRDOIKMHSZXEOA-UHFFFAOYSA-N    		 Cc1c2c(c([nH]1)c3csc(n3)N4CCNCC4)CCCC2=O
    ; Cc1[nH]c(c2CCCC(=O)c12)c3csc(n3)N4CCNC
    C4    		 3-methyl-1-(2-piperazin-1-yl-1,3-thiazol-4-yl)-2,5,6,7-tetrahydroisoindol-4-one
    21227
    GJJ
    CHEMBL4290066    		 1 C24 H30 N6 O3 InChI=1S/C24H30N6O3/c1-5-
    20(31)26-17-12-13-30(14-1
    7)19-11-10-18(21(25)32)22
    (28-19)27-16-8-6-15(7-9-1
    6)23(33)29-24(2,3)4/h5-11
    ,17H,1,12-14H2,2-4H3,(H2,
    25,32)(H,26,31)(H,27,28)(
    H,29,33)/t17-/m0/s1;
    AYRMUHGKVWLINC-KRWDZBQOSA-N    		 CC(C)(C)NC(=O)c1ccc(Nc2nc(ccc2C(N)=O)N3C
    C[CH](C3)NC(=O)C=C)cc1; CC(C)(C)NC(=O)c1
    ccc(cc1)Nc2c(ccc(n2)N3CCC(C3)NC(=O)C=C)C
    (=O)N; CC(C)(C)NC(=O)c1ccc(Nc2nc(ccc2C(N
    )=O)N3CC[C@@H](C3)NC(=O)C=C)cc1; c2(Nc1c
    cc(C(NC(C)(C)C)=O)cc1)c(C(=O)N)ccc(n2)N3
    CCC(NC(=O)\C=C)C3; CC(C)(C)NC(=O)c1ccc(c
    c1)Nc2c(ccc(n2)N3CC[C@@H](C3)NC(=O)C=C)C
    (=O)N    		 6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide
    21228
    GJK
    CHEMBL106509
    ZINC000000008046    		 2 C11 H12 O3 InChI=1S/C11H12O3/c1-8(12
    )3-4-9-5-6-10(13)11(7-9)1
    4-2/h3-7,13H,1-2H3/b4-3+;
    AFWKBSMFXWNGRE-ONEGZZNKSA-N    		 CC(=O)C=Cc1ccc(c(c1)OC)O; CC(=O)/C=C/c1c
    cc(c(c1)OC)O; COc1cc(C=CC(C)=O)ccc1O; CO
    c1cc(/C=C/C(C)=O)ccc1O    		 (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one
    21229
    GJL
    CHEMBL3145388    		 1 C16 H17 N3 O5 S InChI=1S/C16H17N3O5S/c1-9
    -10(15(20)11-8-17-19(2)16
    (11)21)4-5-13(25(3,22)23)
    14(9)12-6-7-24-18-12/h4-5
    ,8,17H,6-7H2,1-3H3;
    BPPVUXSMLBXYGG-UHFFFAOYSA-N    		 CN1NC=C(C1=O)C(=O)c2ccc(c(c2C)C3=NOCC3)[
    S](C)(=O)=O; Cc1c(ccc(c1C2=NOCC2)S(=O)(=
    O)C)C(=O)C3=CNN(C3=O)C    		 4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{H}-pyrazol-3-one
    21230
    GJM    		 9 C6 H10 O3 InChI=1S/C6H10O3/c7-6(8)5
    -3-1-2-4-9-5/h5H,1-4H2,(H
    ,7,8)/t5-/m0/s1;
    MQAYFGXOFCEZRW-YFKPBYRVSA-N    		 OC(=O)[CH]1CCCCO1; C1CCOC(C1)C(=O)O; C1C
    CO[C@@H](C1)C(=O)O; O=C(O)C1CCCCO1; OC(=
    O)[C@@H]1CCCCO1    		 (2S)-oxane-2-carboxylic acid
    21231
    GJN
    CHEMBL5183240    		 4 C16 H12 N4 InChI=1S/C16H12N4/c17-16-
    13(10-6-2-1-3-7-10)15-14(
    19-20-16)11-8-4-5-9-12(11
    )18-15/h1-9,18H,(H2,17,20
    );
    DHDZFJQQXROKLC-UHFFFAOYSA-N    		 Nc1nnc2c([nH]c3ccccc23)c1c4ccccc4; Nc1nn
    c2c3ccccc3[NH]c2c1c1ccccc1; c1ccc(cc1)c2
    c3c(c4ccccc4[nH]3)nnc2N    		 4-phenyl-5H-pyridazino[4,3-b]indol-3-amine
    21232
    GJO    		 8 C24 H20 N4 O7 S InChI=1S/C24H20N4O7S/c1-1
    4(29)25-16-5-3-4-15(12-16
    )19-10-11-22(28(31)32)23-
    20(19)13-21(26-23)24(30)2
    7-36(33,34)18-8-6-17(35-2
    )7-9-18/h3-13,26H,1-2H3,(
    H,25,29)(H,27,30);
    NWBVAQWYAKYBIW-UHFFFAOYSA-N    		 COc1ccc(cc1)[S](=O)(=O)NC(=O)c2[nH]c3c(c
    2)c(ccc3[N+]([O-])=O)c4cccc(NC(C)=O)c4;
    CC(=O)Nc1cccc(c1)c2ccc(c3c2cc([nH]3)C(=O
    )NS(=O)(=O)c4ccc(cc4)OC)[N+](=O)[O-]    		 4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide
    21233
    GJP
    CHEMBL158890
    ZINC000008602789    		 4 C10 H7 N O3 InChI=1S/C10H7NO3/c12-9-6
    -3-1-2-4-8(6)11-5-7(9)10(
    13)14/h1-5H,(H,11,12)(H,1
    3,14);
    ILNJBIQQAIIMEY-UHFFFAOYSA-N    		 c12ccccc1c(c(cn2)C(O)=O)O; c1ccc2c(c1)c(
    c(cn2)C(=O)O)O; OC(=O)c1cnc2ccccc2c1O    		 4-hydroxyquinoline-3-carboxylic acid
    21234
    GJQ    		 3 C15 H12 Cl2 N6 O2 InChI=1S/C15H12Cl2N6O2/c1
    6-11-6-5-10(7-12(11)17)22
    -13(20-14(18)21-15(22)19)
    8-1-3-9(4-2-8)23(24)25/h1
    -7,13H,(H4,18,19,20,21)/t
    13-/m1/s1;
    GMVZOQXAUORTLW-CYBMUJFWSA-N    		 c1cc(ccc1[C@@H]2N=C(N=C(N2c3ccc(c(c3)Cl)
    Cl)N)N)[N+](=O)[O-]; NC1=N[C@H](N(C(=N1)
    N)c2ccc(Cl)c(Cl)c2)c3ccc(cc3)[N+]([O-])=
    O; c1cc(ccc1C2N=C(N=C(N2c3ccc(c(c3)Cl)Cl
    )N)N)[N+](=O)[O-]; NC1=N[CH](N(C(=N1)N)c
    2ccc(Cl)c(Cl)c2)c3ccc(cc3)[N+]([O-])=O    		 (2~{R})-1-(3,4-dichlorophenyl)-2-(4-nitrophenyl)-2~{H}-1,3,5-triazine-4,6-diamine
    21235
    GJR
    CHEMBL4757863    		 1 C13 H11 Cl F2 N6 O InChI=1S/C13H11ClF2N6O/c1
    4-13-20-11(17)10-12(21-13
    )22(6-19-10)4-7-3-8(1-2-1
    8-7)23-5-9(15)16/h1-3,6,9
    H,4-5H2,(H2,17,20,21);
    SYPCZSDQCBMLSV-UHFFFAOYSA-N    		 Nc1nc(Cl)nc2n(Cc3cc(OCC(F)F)ccn3)cnc12;
    c1cnc(cc1OCC(F)F)Cn2cnc3c2nc(nc3N)Cl    		 9-[[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine
    21236
    GJS
    ZINC000000226728    		 2 C8 H6 O5 InChI=1S/C8H6O5/c9-4-1-2-
    5(7(10)11)6(3-4)8(12)13/h
    1-3,9H,(H,10,11)(H,12,13);
    MWRVRCAFWBBXTL-UHFFFAOYSA-N    		 c1cc(c(cc1O)C(=O)O)C(=O)O; c1(C(O)=O)c(C
    (O)=O)ccc(c1)O; OC(=O)c1ccc(O)cc1C(O)=O    		 4-hydroxybenzene-1,2-dicarboxylic acid
    21237
    GJT
    CHEMBL4468251    		 4 C17 H26 N4 O5 InChI=1S/C17H26N4O5/c1-4-
    13(5-2)26-15-7-11(17(24)2
    5)6-14(16(15)18-10(3)23)2
    1-8-12(9-22)19-20-21/h7-8
    ,13-16,22H,4-6,9H2,1-3H3,
    (H,18,23)(H,24,25)/t14-,1
    5+,16+/m0/s1;
    IPVDZUUVRPUAMB-ARFHVFGLSA-N    		 CCC(CC)O[CH]1C=C(C[CH]([CH]1NC(C)=O)n2cc
    (CO)nn2)C(O)=O; CCC(CC)O[C@@H]1C=C(C[C@@
    H]([C@H]1NC(C)=O)n2cc(CO)nn2)C(O)=O; CCC
    (CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)n2
    cc(nn2)CO)C(=O)O; CCC(CC)OC1C=C(CC(C1NC(
    =O)C)n2cc(nn2)CO)C(=O)O    		 (3~{R},4~{R},5~{S})-4-acetamido-5-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid
    21238
    GJU
    CHEMBL4762103    		 1 C14 H13 Cl F2 N6 O InChI=1S/C14H13ClF2N6O/c1
    -7(9-4-8(2-3-19-9)24-5-10
    (16)17)23-6-20-11-12(18)2
    1-14(15)22-13(11)23/h2-4,
    6-7,10H,5H2,1H3,(H2,18,21
    ,22)/t7-/m0/s1;
    MMMUNMQNRGXDNZ-ZETCQYMHSA-N    		 C[C@@H](c1cc(ccn1)OCC(F)F)n2cnc3c2nc(nc3
    N)Cl; C[C@H](n1cnc2c(N)nc(Cl)nc12)c3cc(O
    CC(F)F)ccn3; C[CH](n1cnc2c(N)nc(Cl)nc12)
    c3cc(OCC(F)F)ccn3; CC(c1cc(ccn1)OCC(F)F)
    n2cnc3c2nc(nc3N)Cl    		 9-[(1~{S})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine
    21239
    GJV    		 7 C13 H21 N8 O3 InChI=1S/C13H20N8O3/c14-1
    0-7-11(19-4-18-10)21(5-20
    -7)12-9(23)8(22)6(24-12)2
    -1-3-17-13(15)16/h4-6,8-9
    ,12,22-23H,1-3H2,(H2,14,1
    8,19)(H4,15,16,17)/p+1/t6
    -,8-,9-,12-/m1/s1;
    NGQAXJZDWQDSQY-WOUKDFQISA-O    		 n1c(c2c(nc1)n(cn2)C3C(C(O)C(O3)CCCNC(\N)
    =[NH2+])O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@
    @H]([C@@H]([C@H](O3)CCCNC(=[NH2+])N)O)O)
    N; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CCCNC(=[
    NH2+])N)O)O)N; NC(=[NH2+])NCCC[C@H]1O[C@
    H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; NC
    (=[NH2+])NCCC[CH]1O[CH]([CH](O)[CH]1O)n2
    cnc3c(N)ncnc23    		 9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-D-ribo-heptofuranosyl)-9H-purin-6-amine
    21240
    GJW
    CHEMBL571234
    ZINC000043065590    		 1 C16 H17 N3 O InChI=1S/C16H17N3O/c20-16
    -15-4-3-9-19(15)14-6-5-12
    (10-13(14)17-16)11-18-7-1
    -2-8-18/h3-6,9-10H,1-2,7-
    8,11H2,(H,17,20);
    ZLYVTQGSZRQZLA-UHFFFAOYSA-N    		 c1cc2n(c1)-c3ccc(cc3NC2=O)CN4CCCC4; O=C1
    Nc2cc(CN3CCCC3)ccc2n4cccc14; O=C3c4cccn4
    c1c(cc(cc1)CN2CCCC2)N3    		 7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one
    21241
    GJX    		 4 C24 H26 N4 O4 InChI=1S/C24H26N4O4/c29-2
    2-16-10-15-11-17(22)14-24
    (12-15,13-16)23(30)27-8-6
    -26(7-9-27)19-3-4-20(28(3
    1)32)21-18(19)2-1-5-25-21
    /h1-5,15-17H,6-14H2/t15-,
    16-,17+,24-;
    RVHYZBKVITVCLB-XCEIDSMSSA-N    		 c1cc2c(ccc(c2nc1)[N+](=O)[O-])N3CCN(CC3)
    C(=O)C45C[C@H]6CC(C4)C[C@@H](C5)C6=O; [O
    -][N+](=O)c1ccc(N2CCN(CC2)C(=O)C34CC5C[C
    H](C3)C(=O)[CH](C5)C4)c6cccnc16; c1cc2c(
    ccc(c2nc1)[N+](=O)[O-])N3CCN(CC3)C(=O)C4
    5CC6CC(C4)C(=O)C(C6)C5; [O-][N+](=O)c1cc
    c(N2CCN(CC2)C(=O)C34CC5C[C@H](C3)C(=O)[C
    @@H](C5)C4)c6cccnc16    		 (1S,3R)-5-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]carbonyladamantan-2-one
    21242
    GJY
    ZINC000064858374    		 12 C19 H34 F O2 P InChI=1S/C19H34FO2P/c1-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-17-18-19-23(20,21
    )22-2/h4-5,7-8,10-11H,3,6
    ,9,12-19H2,1-2H3/b5-4-,8-
    7-,11-10-/t23-/m0/s1;
    MEHJVKGETWKOKY-SINQZMEQSA-N    		 CCC=CCC=CCC=CCCCCCCCCP(=O)(OC)F; CCC=CCC
    =CCC=CCCCCCCCC[P](F)(=O)OC; CC\C=C/C/C=C
    \C\C=C/CCCCCCCC[P@](F)(=O)OC; O=P(OC)(F)
    CCCCCCCC\C=C/C\C=C/C[C@H]=[C@H]CC; CC/C=
    C\C/C=C\C/C=C\CCCCCCCC[P@](=O)(OC)F    		 methyl-9Z,12Z,15Z-octadecatrienylphosphonofluoridate;
    Methyl alpha-Linolenyl Fluorophosphonate (MLnFP)
    21243
    GJZ
    CHEMBL1179
    ZINC000001482197    		 3 C9 H11 N InChI=1S/C9H11N/c10-9-6-8
    (9)7-4-2-1-3-5-7/h1-5,8-9
    H,6,10H2/t8-,9+/m0/s1;
    AELCINSCMGFISI-DTWKUNHWSA-N    		 c1ccc(cc1)[C@@H]2C[C@H]2N; N[CH]1C[CH]1c
    2ccccc2; c1cccc(c1)C2CC2N; c1ccc(cc1)C2C
    C2N; N[C@@H]1C[C@H]1c2ccccc2    		 (1R,2S)-2-phenylcyclopropanamine
    21244
    GK0
    CHEMBL4086308
    ZINC000584905558    		 1 C14 H12 N2 O7 InChI=1S/C14H12N2O7/c17-8
    -1-6(2-9(18)12(8)21)5-15-
    16-14(23)7-3-10(19)13(22)
    11(20)4-7/h1-5,17-22H,(H,
    16,23)/b15-5+;
    PYWCMFFRTOJYQJ-PJQLUOCWSA-N    		 c1c(cc(c(c1O)O)O)C=NNC(=O)c2cc(c(c(c2)O)
    O)O; c1c(cc(c(c1O)O)O)/C=N/NC(=O)c2cc(c(
    c(c2)O)O)O; Oc1cc(C=NNC(=O)c2cc(O)c(O)c(
    O)c2)cc(O)c1O; Oc1cc(/C=N/NC(=O)c2cc(O)c
    (O)c(O)c2)cc(O)c1O    		 3,4,5-tris(oxidanyl)-~{N}-[(~{E})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide
    21245
    GK1
    CHEMBL237127
    DB07832
    ZINC000016052770    		 1 C20 H15 N3 O2 S InChI=1S/C20H15N3O2S/c1-1
    2-2-4-14(25)9-17(12)22-16
    -6-7-21-18-8-13(3-5-15(16
    )18)19-11-26-20(10-24)23-
    19/h2-11,25H,1H3,(H,21,22
    );
    VKQPTVJDZIILPG-UHFFFAOYSA-N    		 O=Cc4nc(c3ccc2c(nccc2Nc1cc(O)ccc1C)c3)cs
    4; Cc1ccc(O)cc1Nc2ccnc3cc(ccc23)c4csc(C=
    O)n4; Cc1ccc(cc1Nc2ccnc3c2ccc(c3)c4csc(n
    4)C=O)O    		 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde
    21246
    GK2
    CHEMBL305170
    ZINC000169987523    		 7 C9 H19 B N2 O3 InChI=1S/C9H19BN2O3/c1-6(
    2)8(11)9(13)12-5-3-4-7(12
    )10(14)15/h6-8,14-15H,3-5
    ,11H2,1-2H3/t7-,8+/m0/s1;
    FKCMADOPPWWGNZ-JGVFFNPUSA-N    		 CC(C)[CH](N)C(=O)N1CCC[CH]1B(O)O; B(C1CC
    CN1C(=O)C(C(C)C)N)(O)O; CC(C)[C@@H](N)C(
    =O)N1CCC[C@H]1B(O)O; B([C@@H]1CCCN1C(=O)
    [C@@H](C(C)C)N)(O)O    		 [(2~{R})-1-[(2~{R})-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]boronic acid
    21247
    GK3
    CHEMBL270164
    DB07833
    ZINC000029130381    		 1 C24 H18 N4 O2 InChI=1S/C24H18N4O2/c1-15
    -6-7-20(24-28-27-16(2)30-
    24)13-22(15)18-8-10-19(11
    -9-18)23(29)26-21-5-3-4-1
    7(12-21)14-25/h3-13H,1-2H
    3,(H,26,29);
    PMMLSQFPBFKLHH-UHFFFAOYSA-N    		 Cc1ccc(cc1c2ccc(cc2)C(=O)Nc3cccc(c3)C#N)
    c4nnc(o4)C; Cc1oc(nn1)c2ccc(C)c(c2)c3ccc
    (cc3)C(=O)Nc4cccc(c4)C#N; N#Cc1cccc(c1)N
    C(=O)c4ccc(c3cc(c2nnc(o2)C)ccc3C)cc4    		 N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide
    21248
    GK4
    CHEMBL273158
    DB07834
    ZINC000016052768    		 1 C21 H21 N3 O2 InChI=1S/C21H21N3O2/c1-13
    -3-6-18(21-24-23-14(2)26-
    21)11-19(13)16-7-9-17(10-
    8-16)20(25)22-12-15-4-5-1
    5/h3,6-11,15H,4-5,12H2,1-
    2H3,(H,22,25);
    FOHZGCHKLPIBBX-UHFFFAOYSA-N    		 Cc1oc(nn1)c2ccc(C)c(c2)c3ccc(cc3)C(=O)NC
    C4CC4; Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)
    c4nnc(o4)C; O=C(NCC1CC1)c4ccc(c3cc(c2nnc
    (o2)C)ccc3C)cc4    		 N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
    21249
    GK5
    CHEMBL478649
    DB07835
    ZINC000003961852    		 1 C22 H24 N2 O2 InChI=1S/C22H24N2O2/c1-14
    -2-5-18(22(26)24-19-10-11
    -19)12-20(14)16-6-8-17(9-
    7-16)21(25)23-13-15-3-4-1
    5/h2,5-9,12,15,19H,3-4,10
    -11,13H2,1H3,(H,23,25)(H,
    24,26);
    BOPSUAHGQHFKGG-UHFFFAOYSA-N    		 Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)C(=O)NC
    4CC4; O=C(c3cc(c2ccc(C(=O)NCC1CC1)cc2)c(
    cc3)C)NC4CC4    		 N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide;
    N3-cyclopropyl-N4'-(cyclopropylmethyl)-6-methyl-3,4'-biphenyldicarboxamide
    21250
    GK6
    CHEMBL476351
    ZINC000020148989    		 1 C28 H30 N4 O3 InChI=1S/C28H30N4O3/c1-19
    -2-9-24(31-28(34)23-10-11
    -29-26(16-23)32-12-14-35-
    15-13-32)17-25(19)21-5-7-
    22(8-6-21)27(33)30-18-20-
    3-4-20/h2,5-11,16-17,20H,
    3-4,12-15,18H2,1H3,(H,30,
    33)(H,31,34);
    BOQNSWFZUHQNRG-UHFFFAOYSA-N    		 Cc1ccc(NC(=O)c2ccnc(c2)N3CCOCC3)cc1c4ccc
    (cc4)C(=O)NCC5CC5; Cc1ccc(cc1c2ccc(cc2)C
    (=O)NCC3CC3)NC(=O)c4ccnc(c4)N5CCOCC5; O=
    C(NCC1CC1)c2ccc(cc2)c3c(ccc(c3)NC(=O)c4c
    c(ncc4)N5CCOCC5)C    		 N-{4'-[(cyclopropylmethyl)carbamoyl]-6-methylbiphenyl-3-yl}-2-morpholin-4-ylpyridine-4-carboxamide;
    N-(4'-{[(cyclopropylmethyl)amino]carbonyl}-6-methyl-3-biphenylyl)-2-(4-morpholinyl)-4-pyridinecarboxamide
    21251
    GK7    		 1 C40 H55 N7 O10 S InChI=1S/C40H55N7O10S/c1-
    23-34(43-29-19-25(55-6)15
    -16-27(29)41-23)57-26-20-
    30-32(48)45-40(36(51)46-5
    8(53,54)39(5)17-18-39)21-
    24(40)13-11-9-8-10-12-14-
    28(35(50)47(30)22-26)42-3
    3(49)31(38(2,3)4)44-37(52
    )56-7/h11,13,15-16,19,24,
    26,28,30-31H,8-10,12,14,1
    7-18,20-22H2,1-7H3,(H,42,
    49)(H,44,52)(H,45,48)(H,4
    6,51)/b13-11-/t24-,26-,28
    +,30+,31-,40-/m1/s1;
    KNHVGXZTFPBTRE-VQPXEURISA-N    		 COC(=O)N[C@H](C(=O)N[C@H]1CCCCC\C=C/[C@@
    H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc
    4nc5cc(OC)ccc5nc4C)C(=O)N[S](=O)(=O)C6(C
    )CC6)C(C)(C)C; Cc1c(nc2cc(ccc2n1)OC)OC3C
    C4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)
    C(C(C)(C)C)NC(=O)OC)C(=O)NS(=O)(=O)C6(CC
    6)C; Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]
    4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(
    =O)N4C3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)C(
    =O)NS(=O)(=O)C6(CC6)C; COC(=O)N[CH](C(=O
    )N[CH]1CCCCCC=C[CH]2C[C]2(NC(=O)[CH]3C[C
    H](CN3C1=O)Oc4nc5cc(OC)ccc5nc4C)C(=O)N[S
    ](=O)(=O)C6(C)CC6)C(C)(C)C; c6(OC1CC2C(=
    O)NC3(C(C=CCCCCCC(C(N2C1)=O)NC(=O)C(NC(O
    C)=O)C(C)(C)C)C3)C(NS(C4(CC4)C)(=O)=O)=O
    )nc5cc(OC)ccc5nc6C    		 methyl [(2S)-1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamate
    21252
    GK8    		 1 C6 H13 As N3 O4 InChI=1S/C6H14AsN3O4/c8-5
    (3-14-7(11,12)13)1-6-2-9-
    4-10-6/h2,4-5,7,11-13H,1,
    3,8H2,(H,9,10)/t5-/m0/s1;
    ULOXOLOOGPGSSX-YFKPBYRVSA-N    		 c1c([nH]cn1)CC(CO[As](O)(O)O)N; N[CH](CO
    [As](O)(O)O)Cc1[nH]cnc1; n1cc(nc1)CC(N)C
    O[As](O)(O)O; c1c([nH]cn1)C[C@@H](CO[As]
    (O)(O)O)N; N[C@H](CO[As](O)(O)O)Cc1[nH]c
    nc1    		 {[(2S)-2-amino-3-(1H-imidazol-5-yl)propyl]oxy}(trihydroxy)-lambda~5~-arsanyl
    21253
    GK9
    CHEMBL4095025    		 2 C16 H14 Cl N3 O2 InChI=1S/C16H14ClN3O2/c1-
    21-11-4-5-13-10(9-11)3-2-
    7-20(13)15-14-12(6-8-22-1
    4)18-16(17)19-15/h4-6,8-9
    H,2-3,7H2,1H3;
    OHDPJCAMZXLYKM-UHFFFAOYSA-N    		 c1(Cl)nc4c(c(n1)N3CCCc2cc(ccc23)OC)occ4;
    COc1ccc2c(c1)CCCN2c3c4c(cco4)nc(n3)Cl;
    COc1ccc2N(CCCc2c1)c3nc(Cl)nc4ccoc34    		 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
    21254
    GKA    		 2 C40 H55 N7 O9 S InChI=1S/C40H55N7O9S/c1-2
    3-35(44-30-19-26(55-7)15-
    16-28(30)41-23)56-27-20-3
    1-33(49)45-40(37(52)46-57
    (53,54)39(6)17-18-39)21-2
    5(40)13-11-9-8-10-12-14-2
    9(36(51)47(31)22-27)43-34
    (50)32(38(3,4)5)42-24(2)4
    8/h11,13,15-16,19,25,27,2
    9,31-32H,8-10,12,14,17-18
    ,20-22H2,1-7H3,(H,42,48)(
    H,43,50)(H,45,49)(H,46,52
    )/b13-11-/t25-,27-,29+,31
    +,32-,40-/m1/s1;
    YOHPIODWEANJQZ-UYLSUIKTSA-N    		 Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C
    =CCCCCCC(C(=O)N4C3)NC(=O)C(C(C)(C)C)NC(=
    O)C)C(=O)NS(=O)(=O)C6(CC6)C; Cc1c(nc2cc(
    ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[
    C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)[C
    @H](C(C)(C)C)NC(=O)C)C(=O)NS(=O)(=O)C6(C
    C6)C; c2(nc1cc(OC)ccc1nc2C)OC3CN5C(C3)C(
    NC6(C(NS(C4(C)CC4)(=O)=O)=O)C(C=CCCCCCC(
    C5=O)NC(C(NC(C)=O)C(C)(C)C)=O)C6)=O; COc
    1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](C
    CCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O
    )C6(C)CC6)NC(=O)[CH](NC(C)=O)C(C)(C)C)nc
    2c1; COc1ccc2nc(C)c(O[C@@H]3C[C@@H]4N(C3
    )C(=O)[C@H](CCCCC\C=C/[C@@H]5C[C@]5(NC4=
    O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)[C@@H]
    (NC(C)=O)C(C)(C)C)nc2c1    		 (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methyl cyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz acyclopentadecine-14a(5H)-carboxamide;
    P4-P5-2 (AJ-67)
    21255
    GKB
    CHEMBL4558430    		 2 C25 H21 F3 N6 O InChI=1S/C25H21F3N6O/c1-1
    5-12-34(14-31-15)23-8-19(
    25(26,27)28)7-21(9-23)33-
    24(35)17-3-2-16-5-20(6-18
    (16)4-17)32-22-10-29-13-3
    0-11-22/h2-4,7-14,20,32H,
    5-6H2,1H3,(H,33,35)/t20-/
    m1/s1;
    XFLAQLCDMJRPFH-HXUWFJFHSA-N    		 Cc1cn(cn1)c2cc(cc(c2)NC(=O)c3ccc4c(c3)C[
    C@@H](C4)Nc5cncnc5)C(F)(F)F; Cc1cn(cn1)c
    2cc(NC(=O)c3ccc4C[CH](Cc4c3)Nc5cncnc5)cc
    (c2)C(F)(F)F; Cc1cn(cn1)c2cc(cc(c2)NC(=O
    )c3ccc4c(c3)CC(C4)Nc5cncnc5)C(F)(F)F; Cc
    1cn(cn1)c2cc(NC(=O)c3ccc4C[C@H](Cc4c3)Nc
    5cncnc5)cc(c2)C(F)(F)F    		 (2~{R})-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{H}-indene-5-carboxamide
    21256
    GKC
    ZINC000025725098    		 1 C19 H34 O11 InChI=1S/C19H34O11/c20-6-
    10-12(22)13(23)15(25)19(2
    8-10)30-17-11(7-21)29-18(
    16(26)14(17)24)27-8-9-4-2
    -1-3-5-9/h9-26H,1-8H2/t10
    -,11-,12-,13+,14-,15-,16-
    ,17-,18-,19-/m1/s1;
    BBUKPWNPDDHXDR-CRINDFDSSA-N    		 C1CCC(CC1)CO[C@H]2[C@@H]([C@H]([C@@H]([C
    @H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C
    @H](O3)CO)O)O)O)O)O; OC[CH]1O[CH](O[CH]2
    [CH](O)[CH](O)[CH](OCC3CCCCC3)O[CH]2CO)[
    CH](O)[CH](O)[CH]1O; C1CCC(CC1)COC2C(C(C
    (C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O; OC[
    C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H
    ](OCC3CCCCC3)O[C@@H]2CO)[C@H](O)[C@@H](O
    )[C@@H]1O    		 (2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-6-(cyclohexylmethoxy)-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    21257
    GKD
    ZINC000058631614    		 2 C16 H23 N5 O16 P2 InChI=1S/C16H23N5O16P2/c1
    7-16-19-12-6(13(28)20-16)
    18-3-21(12)14-10(26)8(24)
    5(34-14)2-33-38(29,30)37-
    39(31,32)36-15-11(27)9(25
    )7(23)4(1-22)35-15/h3-5,8
    -11,14-15,22,24-27H,1-2H2
    ,(H,29,30)(H,31,32)(H3,17
    ,19,20,28)/t4-,5+,8+,9-,1
    0+,11-,14+,15+/m0/s1;
    QZZKIVADHWVJFF-UFFCYROPSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@
    ](O)(=O)O[P@](O)(=O)O[C@H]4O[C@@H](CO)C(
    =O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O; c1
    nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4
    C(C(C(=O)C(O4)CO)O)O)O)O)N=C(NC2=O)N; c1
    nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P
    @@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@
    H](C(=O)[C@@H](O4)CO)O)O)O)O)N=C(NC2=O)N
    ; NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](
    O)(=O)O[P](O)(=O)O[CH]4O[CH](CO)C(=O)[CH
    ](O)[CH]4O)[CH](O)[CH]3O; O=C1C(O)C(O)C(
    OC1CO)OP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c3N
    =C(N)NC2=O)C(O)C4O    		 GUANOSINE 5'-DIPHOSPHATE-4-KETO-BETA-L-GULOSE
    21258
    GKE
    ZINC000030730058    		 2 C16 H25 N5 O16 P2 InChI=1S/C16H25N5O16P2/c1
    7-16-19-12-6(13(28)20-16)
    18-3-21(12)14-10(26)8(24)
    5(34-14)2-33-38(29,30)37-
    39(31,32)36-15-11(27)9(25
    )7(23)4(1-22)35-15/h3-5,7
    -11,14-15,22-27H,1-2H2,(H
    ,29,30)(H,31,32)(H3,17,19
    ,20,28)/t4-,5+,7+,8+,9-,1
    0+,11-,14+,15+/m0/s1;
    MVMSCBBUIHUTGJ-HVMPVDAASA-N    		 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO
    [P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([
    C@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(N
    C2=O)N; O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=
    O)(O)OCC4OC(n2c3N=C(N)NC(=O)c3nc2)C(O)C4
    O; c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(
    O)OC4C(C(C(C(O4)CO)O)O)O)O)O)N=C(NC2=O)N
    ; NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](
    O)(=O)O[P](O)(=O)O[CH]4O[CH](CO)[CH](O)[
    CH](O)[CH]4O)[CH](O)[CH]3O; NC1=Nc2n(cnc
    2C(=O)N1)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@
    ](O)(=O)O[C@H]4O[C@@H](CO)[C@@H](O)[C@H]
    (O)[C@@H]4O)[C@@H](O)[C@H]3O    		 GUANOSINE 5'-DIPHOSPHATE-BETA-L-GULOSE
    21259
    GKF
    ZINC000100720200    		 1 C8 H5 I N2 O InChI=1S/C8H5IN2O/c9-8-6-
    3-1-2-5(4-12)7(6)10-11-8/
    h1-4H,(H,10,11);
    QWWAONJINWEHJL-UHFFFAOYSA-N    		 c1cc(c2c(c1)c(n[nH]2)I)C=O; Ic1n[nH]c2c(
    C=O)cccc12    		 3-iodanyl-1~{H}-indazole-7-carbaldehyde
    21260
    GKG    		 2 C37 H47 F3 N6 O9 S InChI=1S/C37H47F3N6O9S/c1
    -21-30(42-27-17-23(53-5)1
    3-14-25(27)41-21)54-24-18
    -28-29(47)44-36(32(49)45-
    56(51,52)35(4)15-16-35)19
    -22(36)11-9-7-6-8-10-12-2
    6(31(48)46(28)20-24)43-33
    (50)55-34(2,3)37(38,39)40
    /h9,11,13-14,17,22,24,26,
    28H,6-8,10,12,15-16,18-20
    H2,1-5H3,(H,43,50)(H,44,4
    7)(H,45,49)/b11-9-/t22-,2
    4-,26+,28+,36-/m1/s1;
    ZOQBCVXDXFPSSL-DDAYHPHASA-N    		 COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH
    ](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)
    (=O)C6(C)CC6)NC(=O)OC(C)(C)C(F)(F)F)nc2c
    1; Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(C
    C5C=CCCCCCC(C(=O)N4C3)NC(=O)OC(C)(C)C(F)
    (F)F)C(=O)NS(=O)(=O)C6(CC6)C; COc1ccc2nc
    (C)c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCC
    CC\C=C/[C@@H]5C[C@]5(NC4=O)C(=O)N[S](=O)
    (=O)C6(C)CC6)NC(=O)OC(C)(C)C(F)(F)F)nc2c
    1; Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C
    (=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O
    )N4C3)NC(=O)OC(C)(C)C(F)(F)F)C(=O)NS(=O)
    (=O)C6(CC6)C; C2CCCC=CC6C(NC(C1CC(CN1C(C
    (C2)NC(=O)OC(C)(C(F)(F)F)C)=O)Oc4nc3cc(O
    C)ccc3nc4C)=O)(C(NS(C5(CC5)C)(=O)=O)=O)C
    6    		 1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate;
    P4-1 (AJ-71)
    21261
    GKH    		 2 C23 H20 N8 O8 S3 InChI=1S/C23H20N8O8S3/c24
    -20-17-21(26-8-25-20)31(9
    -27-17)23-19(34)18(33)13(
    39-23)6-38-42(36,37)30-22
    (35)12-7-40-15(29-12)3-4-
    16-28-11-2-1-10(32)5-14(1
    1)41-16/h1-5,7-9,13,18-19
    ,23,32-34H,6H2,(H,30,35)(
    H2,24,25,26)/b4-3+/t13-,1
    8-,19-,23-/m1/s1;
    JXXQGJFRVFVJAK-AWGXURSZSA-N    		 c1cc2c(cc1O)sc(n2)C=Cc3nc(cs3)C(=O)NS(=O
    )(=O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O; Nc
    1ncnc2n(cnc12)[C@@H]3O[C@H](CO[S](=O)(=O
    )NC(=O)c4csc(/C=C/c5sc6cc(O)ccc6n5)n4)[C
    @@H](O)[C@H]3O; Nc1ncnc2n(cnc12)[CH]3O[C
    H](CO[S](=O)(=O)NC(=O)c4csc(C=Cc5sc6cc(O
    )ccc6n5)n4)[CH](O)[CH]3O; c1cc2c(cc1O)sc
    (n2)/C=C/c3nc(cs3)C(=O)NS(=O)(=O)OC[C@@H
    ]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O
    )O    		 [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[[2-[(~{E})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-thiazol-4-yl]carbonyl]sulfamate
    21262
    GKI
    CHEMBL5172147    		 4 C19 H28 N4 O S InChI=1S/C19H28N4OS/c1-12
    (2)5-6-15-17(14(4)24)13(3
    )21-18(15)16-11-25-19(22-
    16)23-9-7-20-8-10-23/h11-
    12,20-21H,5-10H2,1-4H3;
    FEVXGFVVUGZYTO-UHFFFAOYSA-N    		 Cc1c(c(c([nH]1)c2csc(n2)N3CCNCC3)CCC(C)C
    )C(=O)C; CC(C)CCc1c([nH]c(C)c1C(C)=O)c2c
    sc(n2)N3CCNCC3    		 1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone
    21263
    GKJ    		 1 C38 H52 N6 O9 S InChI=1S/C38H52N6O9S/c1-5
    -6-12-19-52-36(48)41-29-1
    4-11-9-7-8-10-13-25-22-38
    (25,35(47)43-54(49,50)37(
    3)17-18-37)42-32(45)31-21
    -27(23-44(31)34(29)46)53-
    33-24(2)39-28-16-15-26(51
    -4)20-30(28)40-33/h10,13,
    15-16,20,25,27,29,31H,5-9
    ,11-12,14,17-19,21-23H2,1
    -4H3,(H,41,48)(H,42,45)(H
    ,43,47)/b13-10-/t25-,27-,
    29+,31+,38-/m1/s1;
    XMVGSOUFSMLCKC-OJHKTYPMSA-N    		 CCCCCOC(=O)N[C@H]1CCCCC\C=C/[C@@H]2C[C@]
    2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4nc5cc(O
    C)ccc5nc4C)C(=O)N[S](=O)(=O)C6(C)CC6; CC
    CCCOC(=O)NC1CCCCCC=CC2CC2(NC(=O)C3CC(CN3
    C1=O)Oc4c(nc5ccc(cc5n4)OC)C)C(=O)NS(=O)(
    =O)C6(CC6)C; CCCCCOC(=O)N[C@H]1CCCCC/C=C
    \[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1
    =O)Oc4c(nc5ccc(cc5n4)OC)C)C(=O)NS(=O)(=O
    )C6(CC6)C; c2(c(C)nc1c(cc(cc1)OC)n2)OC4C
    C5C(NC6(C(NS(C3(CC3)C)(=O)=O)=O)C(C=CCCC
    CCC(C(N5C4)=O)NC(=O)OCCCCC)C6)=O; CCCCCO
    C(=O)N[CH]1CCCCCC=C[CH]2C[C]2(NC(=O)[CH]
    3C[CH](CN3C1=O)Oc4nc5cc(OC)ccc5nc4C)C(=O
    )N[S](=O)(=O)C6(C)CC6    		 pentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate;
    P4-2 (JZ01-19)
    21264
    GKK
    CHEMBL558664
    ZINC000043066029    		 2 C20 H19 Cl F3 N3 InChI=1S/C20H19ClF3N3/c1-
    26-9-8-17(13-26)27(16-7-6
    -14(11-25)19(21)10-16)12-
    15-4-2-3-5-18(15)20(22,23
    )24/h2-7,10,17H,8-9,12-13
    H2,1H3/t17-/m0/s1;
    HMOAZJHSXXENHE-KRWDZBQOSA-N    		 CN1CCC(C1)N(Cc2ccccc2C(F)(F)F)c3ccc(c(c3
    )Cl)C#N; C[N@]1CC[C@@H](C1)N(Cc2ccccc2C(
    F)(F)F)c3ccc(c(c3)Cl)C#N; CN1CC[CH](C1)N
    (Cc2ccccc2C(F)(F)F)c3ccc(C#N)c(Cl)c3; FC
    (F)(F)c1c(cccc1)CN(c2ccc(C#N)c(Cl)c2)C3C
    CN(C)C3; CN1CC[C@@H](C1)N(Cc2ccccc2C(F)(
    F)F)c3ccc(C#N)c(Cl)c3    		 2-chloro-4-{[(3S)-1-methylpyrrolidin-3-yl][2-(trifluoromethyl)benzyl]amino}benzonitrile
    21265
    GKL
    ZINC000098208939    		 0 C12 H26 N2 O3 InChI=1S/C12H26N2O3/c1-7(
    2)5-9(13)10(15)6-14-11(8(
    3)4)12(16)17/h7-11,14-15H
    ,5-6,13H2,1-4H3,(H,16,17)
    /t9-,10-,11-/m0/s1;
    OWNBKWSEIUHSQG-DCAQKATOSA-N    		 CC(C)C[C@@H]([C@H](CN[C@@H](C(C)C)C(=O)O
    )O)N; CC(C)CC(C(CNC(C(C)C)C(=O)O)O)N; CC
    (C)C[CH](N)[CH](O)CN[CH](C(C)C)C(O)=O; C
    C(C)C[C@H](N)[C@@H](O)CN[C@@H](C(C)C)C(O
    )=O; O=C(O)C(NCC(O)C(N)CC(C)C)C(C)C    		 N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valine
    21266
    GKM    		 2 C39 H52 N6 O9 S InChI=1S/C39H52N6O9S/c1-2
    4-33(41-30-20-26(52-4)14-
    15-28(30)40-24)53-27-21-3
    1-32(46)43-39(35(48)44-55
    (50,51)38(3)18-19-38)22-2
    5(39)12-8-6-5-7-9-13-29(3
    4(47)45(31)23-27)42-36(49
    )54-37(2)16-10-11-17-37/h
    8,12,14-15,20,25,27,29,31
    H,5-7,9-11,13,16-19,21-23
    H2,1-4H3,(H,42,49)(H,43,4
    6)(H,44,48)/b12-8-/t25-,2
    7-,29+,31+,39-/m1/s1;
    BFDKJVNQRNACCV-VDSHMUBGSA-N    		 COc1ccc2nc(C)c(O[C@@H]3C[C@@H]4N(C3)C(=O
    )[C@H](CCCCC\C=C/[C@@H]5C[C@]5(NC4=O)C(=
    O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC7(C)CCCC7
    )nc2c1; Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)
    NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6(CCC
    C6)C)C(=O)NS(=O)(=O)C7(CC7)C; Cc1c(nc2cc
    (ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C
    [C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O
    C6(CCCC6)C)C(=O)NS(=O)(=O)C7(CC7)C; C4CC
    (C(N6CC(Oc2nc1cc(OC)ccc1nc2C)CC6C(NC3(C(
    C3)C=CCCC4)C(NS(C5(C)CC5)(=O)=O)=O)=O)=O
    )NC(OC7(C)CCCC7)=O; COc1ccc2nc(C)c(O[CH]
    3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5
    (NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)O
    C7(C)CCCC7)nc2c1    		 1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate;
    P4-3(AJ-74)
    21267
    GKN
    CHEMBL4074486
    ZINC000008906795    		 1 C20 H23 N O3 InChI=1S/C20H23NO3/c1-20(
    2,3)16-9-7-15(8-10-16)19(
    24)21-17-11-4-14(5-12-17)
    6-13-18(22)23/h4-5,7-12H,
    6,13H2,1-3H3,(H,21,24)(H,
    22,23);
    IMRDLYFNSFXCTK-UHFFFAOYSA-N    		 CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O
    )O; CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(CCC(O)
    =O)cc2    		 3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid
    21268
    GKO    		 10 C22 H27 N7 O2 InChI=1S/C22H27N7O2/c1-3-
    4-5-10-24-21(30)17-6-8-18
    (9-7-17)29-14-20(25-16-29
    )26-22(31)19-13-28(15-23)
    12-11-27(19)2/h1,6-9,14-1
    6,19,23H,4-5,10-13H2,2H3,
    (H,24,30)(H,26,31);
    AXJVUUFDFGBJHA-UHFFFAOYSA-N    		 CN1CCN(C[C@H]1C(=O)Nc2cn(cn2)c3ccc(cc3)C
    (=O)NCCCC#C)C=N; CN1CCN(C[C@@H]1C(=O)Nc2
    cn(cn2)c3ccc(cc3)C(=O)NCCCC#C)C=N; CN1CC
    N(C[CH]1C(=O)Nc2cn(cn2)c3ccc(cc3)C(=O)NC
    CCC#C)C=N; CN1CCN(CC1C(=O)Nc2cn(cn2)c3cc
    c(cc3)C(=O)NCCCC#C)C=N    		 (2~{S})-4-(iminomethyl)-1-methyl-~{N}-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]piperazine-2-carboxamide
    21269
    GKP
    CHEMBL282731
    ZINC000004098726    		 2 C22 H18 O12 InChI=1S/C22H18O12/c23-13
    -5-1-11(9-15(13)25)3-7-17
    (27)33-19(21(29)30)20(22(
    31)32)34-18(28)8-4-12-2-6
    -14(24)16(26)10-12/h1-10,
    19-20,23-26H,(H,29,30)(H,
    31,32)/b7-3+,8-4+/t19-,20
    -/m1/s1;
    YDDGKXBLOXEEMN-IABMMNSOSA-N    		 c1cc(c(cc1C=CC(=O)OC(C(C(=O)O)OC(=O)C=Cc
    2ccc(c(c2)O)O)C(=O)O)O)O; c1c(cc(c(c1)O)
    O)/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)
    /C=C/c2cc(c(cc2)O)O)C(=O)O; OC(=O)[CH](O
    C(=O)C=Cc1ccc(O)c(O)c1)[CH](OC(=O)C=Cc2c
    cc(O)c(O)c2)C(O)=O; c1c(cc(c(c1)O)O)[C@H
    ]=CC(=O)OC(C(=O)O)C(OC([C@H]=[C@H]c2ccc(
    c(c2)O)O)=O)C(=O)O; OC(=O)[C@H](OC(=O)\C
    =C\c1ccc(O)c(O)c1)[C@@H](OC(=O)/C=C/c2cc
    c(O)c(O)c2)C(O)=O    		 (2R,3R)-2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid
    21270
    GKQ
    CHEMBL4289401
    ZINC000064761151    		 1 C21 H23 Cl N4 O InChI=1S/C21H23ClN4O/c22-
    18-5-3-4-16(12-18)14-23-2
    1(27)17-6-7-20-19(13-17)2
    4-15-26(20)11-10-25-8-1-2
    -9-25/h3-7,12-13,15H,1-2,
    8-11,14H2,(H,23,27);
    KDORBCZWJTXUAC-UHFFFAOYSA-N    		 c1cc(cc(c1)Cl)CNC(=O)c2ccc3c(c2)ncn3CCN4
    CCCC4; Clc1cccc(CNC(=O)c2ccc3n(CCN4CCCC4
    )cnc3c2)c1    		 ~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
    21271
    GKR    		 10 C6 H8 O8 InChI=1S/C6H10O8/c7-1(3(9
    )5(11)12)2(8)4(10)6(13)14
    /h1-4,7-10H,(H,11,12)(H,1
    3,14)/p-2/t1-,2-,3-,4+/m0
    /s1;
    DSLZVSRJTYRBFB-LLEIAEIESA-L    		 O[C@@H]([C@H](O)[C@H](O)C([O-])=O)[C@@H]
    (O)C([O-])=O; [C@H]([C@@H]([C@@H](C(=O)[
    O-])O)O)([C@H](C(=O)[O-])O)O; [O-]C(=O)C
    (O)C(O)C(O)C(O)C([O-])=O; C(C(C(C(=O)[O-
    ])O)O)(C(C(=O)[O-])O)O; O[CH]([CH](O)[CH
    ](O)C([O-])=O)[CH](O)C([O-])=O    		 D-GLUCARATE
    21272
    GKS    		 4 C11 H19 N4 O14 P3 InChI=1S/C11H19N4O14P3/c1
    2-11-14-6(9(13-4-16)10(18
    )15-11)1-5-2-7(17)8(27-5)
    3-26-31(22,23)29-32(24,25
    )28-30(19,20)21/h4-5,7-8,
    17H,1-3H2,(H,13,16)(H,22,
    23)(H,24,25)(H2,19,20,21)
    (H3,12,14,15,18)/t5-,7-,8
    +/m0/s1;
    SEYTZONDTLWHRH-APQOSEDMSA-N    		 NC1=NC(=C(NC=O)C(=O)N1)C[C@H]2C[C@H](O)[
    C@@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=
    O)O2; NC1=NC(=C(NC=O)C(=O)N1)C[CH]2C[CH]
    (O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O
    )=O)O2; C1[C@@H](O[C@@H]([C@H]1O)COP(=O)
    (O)OP(=O)(O)OP(=O)(O)O)CC2=C(C(=O)NC(=N2
    )N)NC=O; C1C(OC(C1O)COP(=O)(O)OP(=O)(O)O
    P(=O)(O)O)CC2=C(C(=O)NC(=N2)N)NC=O; P(=O
    )(O)(O)OP(OP(=O)(O)OCC1OC(CC1O)CC2=C(C(N
    C(=N2)N)=O)NC=O)(O)=O    		 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol
    21273
    GKT
    CHEMBL4283481    		 3 C21 H23 I N4 O InChI=1S/C21H23IN4O/c1-14
    -5-6-15(11-17(14)22)21(27
    )23-16-7-8-18-19(12-16)25
    -20(24-18)13-26-9-3-2-4-1
    0-26/h5-8,11-12H,2-4,9-10
    ,13H2,1H3,(H,23,27)(H,24,
    25);
    VMKBJIIRNPWSSI-UHFFFAOYSA-N    		 Cc1ccc(cc1I)C(=O)Nc2ccc3c(c2)[nH]c(n3)CN
    4CCCCC4; Cc1ccc(cc1I)C(=O)Nc2ccc3nc(CN4C
    CCCC4)[nH]c3c2    		 3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide
    21274
    GKU
    ZINC000000394355    		 4 C10 H15 N O InChI=1S/C10H15NO/c1-8(11
    -2)7-9-3-5-10(12)6-4-9/h3
    -6,8,11-12H,7H2,1-2H3/t8-
    /m1/s1;
    SBUQZKJEOOQSBV-MRVPVSSYSA-N    		 CN[C@H](C)Cc1ccc(O)cc1; C[C@H](Cc1ccc(cc
    1)O)NC; CC(Cc1ccc(cc1)O)NC; CN[CH](C)Cc1
    ccc(O)cc1    		 4-[(2R)-2-(methylamino)propyl]phenol
    21275
    GKW
    CHEMBL2170177
    ZINC000043178454    		 8 C17 H16 N2 O3 InChI=1S/C17H16N2O3/c1-22
    -15-6-2-12(3-7-15)11-19-9
    -8-13-4-5-14(10-16(13)19)
    17(20)18-21/h2-10,21H,11H
    2,1H3,(H,18,20);
    AJRGHIGYPXNABY-UHFFFAOYSA-N    		 COc1ccc(cc1)Cn2ccc3c2cc(cc3)C(=O)NO; COc
    1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1    		 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide
    21276
    GKX    		 8 C20 H29 N O3 InChI=1S/C20H29NO3/c22-19
    (14-8-7-11-16-9-3-1-4-10-
    16)21-18(20(23)24)15-17-1
    2-5-2-6-13-17/h2,5-6,12-1
    3,16,18H,1,3-4,7-11,14-15
    H2,(H,21,22)(H,23,24)/t18
    -/m0/s1;
    HMRCCMCZAAWOCJ-SFHVURJKSA-N    		 c1ccc(cc1)CC(C(=O)O)NC(=O)CCCCC2CCCCC2;
    c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCCCC2CCC
    CC2; OC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCC2C
    CCCC2; OC(=O)[CH](Cc1ccccc1)NC(=O)CCCCC2
    CCCCC2    		 (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid
    21277
    GKY
    CHEMBL190883
    ZINC000000598622    		 3 C23 H33 N O2 InChI=1S/C23H33NO2/c1-4-1
    5-24(16-5-2)17-13-21-11-1
    2-22(25-3)23(19-21)26-18-
    14-20-9-7-6-8-10-20/h6-12
    ,19H,4-5,13-18H2,1-3H3;
    YBLIQJGXRLZBCZ-UHFFFAOYSA-N    		 c1(ccc(c(c1)OCCc2ccccc2)OC)CCN(CCC)CCC;
    CCCN(CCC)CCc1ccc(c(c1)OCCc2ccccc2)OC; CC
    CN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1    		 N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine
    21278
    GKZ    		 4 C24 H28 Cl N4 O3 InChI=1S/C24H27ClN4O3/c1-
    15-22(16-2-4-18(25)5-3-16
    )23(28-27-15)20-7-6-19(14
    -21(20)30)32-13-12-29-10-
    8-17(9-11-29)24(26)31/h2-
    7,14,17,30H,8-13H2,1H3,(H
    2,26,31)(H,27,28)/p+1;
    FIAWYOJOIHFYFE-UHFFFAOYSA-O    		 Cc1c(c([nH]n1)c2ccc(cc2O)OCC[NH+]3CCC(CC
    3)C(=O)N)c4ccc(cc4)Cl; Cc1n[nH]c(c2ccc(O
    CC[NH+]3CCC(CC3)C(N)=O)cc2O)c1c4ccc(Cl)c
    c4    		 1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide
    21279
    GL0
    ZINC000000895350    		 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
    1/s1;
    WQZGKKKJIJFFOK-AIECOIEWSA-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]1
    O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O; OC1C(
    O)C(OC(O)C1O)CO    		 beta-D-gulopyranose;
    beta-D-gulose;
    D-gulose;
    gulose
    21280
    GL1
    DB02317
    ZINC000004096092    		 4 C6 H13 O9 P InChI=1S/C6H13O9P/c7-1-2-
    3(8)4(9)5(10)6(14-2)15-16
    (11,12)13/h2-10H,1H2,(H2,
    11,12,13)/t2-,3+,4+,5-,6-
    /m1/s1;
    HXXFSFRBOHSIMQ-FPRJBGLDSA-N    		 OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)
    [CH]1O; OC[C@H]1O[C@H](O[P](O)(O)=O)[C@H
    ](O)[C@@H](O)[C@H]1O; O=P(OC1OC(C(O)C(O)
    C1O)CO)(O)O; C([C@@H]1[C@@H]([C@@H]([C@H
    ]([C@H](O1)OP(=O)(O)O)O)O)O)O; C(C1C(C(C
    (C(O1)OP(=O)(O)O)O)O)O)O    		 1-O-phosphono-alpha-D-galactopyranose;
    ALPHA-D-GALACTOSE-1-PHOSPHATE;
    1-O-phosphono-alpha-D-galactose;
    1-O-phosphono-D-galactose;
    1-O-phosphono-galactose
    21281
    GL2
    CHEMBL594722
    DB01843
    ZINC000003833818    		 1 C8 H13 N3 O7 InChI=1S/C8H13N3O7/c9-11-
    6(16)8(10-7(11)17)5(15)4(
    14)3(13)2(1-12)18-8/h2-5,
    12-15H,1,9H2,(H,10,17)/t2
    -,3-,4+,5-,8+/m1/s1;
    KLJXQBRQPPSXPZ-WWHASAIZSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=
    O)N(C(=O)N2)N)O)O)O)O; NN1C(=O)N[C]2(O[C
    H](CO)[CH](O)[CH](O)[CH]2O)C1=O; O=C2N(C
    (=O)NC21OC(C(O)C(O)C1O)CO)N; NN1C(=O)N[C
    @@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)
    C1=O; C(C1C(C(C(C2(O1)C(=O)N(C(=O)N2)N)O
    )O)O)O    		 (5S,7R,8S,9S,10R)-3-amino-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione;
    3-AMINO-8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-6-OXA-1,3-DIAZA-SPIRO[4.5]DECANE-2,4-DIONE
    21282
    GL3
    CHEMBL1233056
    ZINC000032155850    		 0 C2 H5 N O S InChI=1S/C2H5NOS/c3-1-2(4
    )5/h1,3H2,(H,4,5);
    CYFJIBWZIQDUSZ-UHFFFAOYSA-N    		 NCC(S)=O; C(C(=O)S)N; O=C(S)CN THIOGLYCIN
    21283
    GL4
    CHEMBL489798
    DB02964
    ZINC000003931735    		 1 C8 H12 N2 O6 S InChI=1S/C8H12N2O6S/c11-1
    -2-3(12)4(13)5(14)8(16-2)
    6(15)9-7(17)10-8/h2-5,11-
    14H,1H2,(H2,9,10,15,17)/t
    2-,3-,4+,5-,8+/m1/s1;
    OEWLGQKSTDZKFN-WWHASAIZSA-N    		 OC[CH]1O[C]2(NC(=S)NC2=O)[CH](O)[CH](O)[
    CH]1O; OC[C@H]1O[C@@]2(NC(=S)NC2=O)[C@H]
    (O)[C@@H](O)[C@@H]1O; O=C2NC(=S)NC21OC(C
    (O)C(O)C1O)CO; C([C@@H]1[C@H]([C@@H]([C@
    H]([C@]2(O1)C(=O)NC(=S)N2)O)O)O)O; C(C1C
    (C(C(C2(O1)C(=O)NC(=S)N2)O)O)O)O    		 (5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-thioxo-6-oxa-1,3-diazaspiro[4.5]decan-4-one;
    8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-2-THIOXO-6-OXA-1,3-DIAZA-SPIRO[4.5]DECAN-4-ONE
    21284
    GL5
    CHEMBL611940
    DB02447
    ZINC000003833816    		 1 C8 H12 N2 O8 InChI=1S/C8H12N2O8/c11-1-
    2-3(12)4(13)5(14)8(18-2)6
    (15)10(17)7(16)9-8/h2-5,1
    1-14,17H,1H2,(H,9,16)/t2-
    ,3-,4+,5-,8+/m1/s1;
    IHDZZZHACPJCFJ-WWHASAIZSA-N    		 OC[CH]1O[C]2(NC(=O)N(O)C2=O)[CH](O)[CH](
    O)[CH]1O; O=C2N(O)C(=O)NC21OC(C(O)C(O)C1
    O)CO; C(C1C(C(C(C2(O1)C(=O)N(C(=O)N2)O)O
    )O)O)O; C([C@@H]1[C@H]([C@@H]([C@H]([C@]
    2(O1)C(=O)N(C(=O)N2)O)O)O)O)O; OC[C@H]1O
    [C@@]2(NC(=O)N(O)C2=O)[C@H](O)[C@@H](O)[
    C@@H]1O    		 (5S,7R,8S,9S,10R)-3,8,9,10-tetrahydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione;
    3,8,9,10-TETRAHYDROXY-7-HYDROXYMETHYL-6-OXA-1,3-DIAZA-SPIRO[4.5]DECANE-2,4-DIONE
    21285
    GL6
    CHEMBL1233057
    DB03392
    ZINC000016051653    		 1 C8 H18 N O8 P InChI=1S/C8H18NO8P/c1-15-
    18(14,16-2)9-8-7(13)6(12)
    5(11)4(3-10)17-8/h4-8,10-
    13H,3H2,1-2H3,(H,9,14)/t4
    -,5-,6+,7-,8-/m1/s1;
    LJBUJRWZZYUNKX-JAJWTYFOSA-N    		 COP(=O)(NC1C(C(C(C(O1)CO)O)O)O)OC; O=P(O
    C)(OC)NC1OC(C(O)C(O)C1O)CO; CO[P](=O)(N[
    CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)OC; CO
    P(=O)(N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O
    1)CO)O)O)O)OC; CO[P](=O)(N[C@@H]1O[C@H](
    CO)[C@@H](O)[C@H](O)[C@H]1O)OC    		 N-(dimethoxyphosphoryl)-beta-D-glucopyranosylamine;
    (3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YL)-PHOSPHORAMIDIC ACID DIMETHYL ESTER;
    N-(dimethoxyphosphoryl)-beta-D-glucosylamine;
    N-(dimethoxyphosphoryl)-D-glucosylamine;
    N-(dimethoxyphosphoryl)-glucosylamine
    21286
    GL7
    CHEMBL593791
    DB03479
    ZINC000006437689    		 1 C9 H14 N2 O7 InChI=1S/C9H14N2O7/c1-11-
    7(16)9(10-8(11)17)6(15)5(
    14)4(13)3(2-12)18-9/h3-6,
    12-15H,2H2,1H3,(H,10,17)/
    t3-,4-,5+,6-,9+/m1/s1;
    RIUIMUSXAGXXON-FMTWGGRWSA-N    		 CN1C(=O)[C@@]2([C@@H]([C@H]([C@@H]([C@H]
    (O2)CO)O)O)O)NC1=O; O=C2N(C(=O)NC21OC(C(
    O)C(O)C1O)CO)C; CN1C(=O)N[C]2(O[CH](CO)[
    CH](O)[CH](O)[CH]2O)C1=O; CN1C(=O)C2(C(C
    (C(C(O2)CO)O)O)O)NC1=O; CN1C(=O)N[C@@]2(
    O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O    		 8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-3-METHYL-6-OXA-1,3-DIAZA-SPIRO[4.5]DECANE-2,4-DIONE
    21287
    GL8
    CHEMBL490866
    DB02673
    ZINC000003813965    		 1 C32 H37 N2 O5 InChI=1S/C32H37N2O5/c1-38
    -26-13-12-22-21-33(19-16-
    32-15-14-23(35)20-27(32)3
    9-29(26)28(22)32)17-8-4-2
    -3-5-9-18-34-30(36)24-10-
    6-7-11-25(24)31(34)37/h6-
    7,10-15,21,23,27,35H,2-5,
    8-9,16-20H2,1H3/q+1/t23-,
    27-,32-/m0/s1;
    VLGAHTYYCHWLNI-BHRZLAGCSA-N    		 COc1ccc2c3c1OC4C3(CC[N+](=C2)CCCCCCCCN5C
    (=O)c6ccccc6C5=O)C=CC(C4)O; COc1ccc2C=[N
    +](CCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C]56C=
    C[CH](O)C[CH]5Oc1c26; O=C2c1ccccc1C(=O)N
    2CCCCCCCC[N+]5=Cc6c3c(OC4C3(C=CC(O)C4)CC
    5)c(OC)cc6; COc1ccc2c3c1O[C@@H]4[C@@]3(C
    C[N+](=C2)CCCCCCCCN5C(=O)c6ccccc6C5=O)C=
    C[C@@H](C4)O; COc1ccc2C=[N+](CCCCCCCCN3C
    (=O)c4ccccc4C3=O)CC[C@@]56C=C[C@H](O)C[C
    @@H]5Oc1c26    		 GALANTHAMINE DERIVATIVE;
    (4AR,6S,8AR)-11-[8-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)OCTYL]-6-HYDROXY-3-METHOXY-5,6,9,10-TETRAHYDRO-4AH-[1]BENZOFURO[3A,3,2-EF][2]BENZAZEPIN-11-IUM
    21288
    GL9
    CHEMBL593335
    DB03835
    ZINC000003833806    		 1 C10 H15 N3 O8 InChI=1S/C10H15N3O8/c1-3(
    15)12-13-8(19)10(11-9(13)
    20)7(18)6(17)5(16)4(2-14)
    21-10/h4-7,14,16-18H,2H2,
    1H3,(H,11,20)(H,12,15)/t4
    -,5-,6+,7-,10+/m1/s1;
    MAHIOGAAEAWGLR-UTAYWCBXSA-N    		 CC(=O)NN1C(=O)[C@@]2([C@@H]([C@H]([C@@H]
    ([C@H](O2)CO)O)O)O)NC1=O; CC(=O)NN1C(=O)
    N[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]
    2O)C1=O; CC(=O)NN1C(=O)N[C]2(O[CH](CO)[C
    H](O)[CH](O)[CH]2O)C1=O; O=C2N(C(=O)NC21
    OC(C(O)C(O)C1O)CO)NC(=O)C; CC(=O)NN1C(=O
    )C2(C(C(C(C(O2)CO)O)O)O)NC1=O    		 N-[(5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2,4-dioxo-6-oxa-1,3-diazaspiro[4.5]dec-3-yl]acetamide;
    N-(8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-2,4-DIOXO-6-OXA-1,3-DIAZA-SPIRO[4.5]DEC-3-YL-ACETAMIDE
    21289
    GLA
    CHEMBL1233058
    ZINC000000901155    		 780 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-PHYPRBDBSA-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; 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; OC1C(
    O)C(OC(O)C1O)CO    		 alpha-D-galactopyranose;
    alpha-D-galactose;
    D-galactose;
    galactose;
    ALPHA D-GALACTOSE
    21290
    GLB    		 0 C6 H12 O6 InChI=1/C6H12O6/c7-1-2-3(
    8)4(9)5(10)6(11)12-2/h2-1
    1H,1H2/t2-,3+,4+,5-,6-/m1
    /s1;
    WQZGKKKJIJFFOK-FPRJBGLDBO    		 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; OC[CH]1O[C
    H](O)[CH](O)[CH](O)[CH]1O; OC1C(O)C(OC(O
    )C1O)CO; C([C@@H]1[C@@H]([C@@H]([C@H]([C
    @@H](O1)O)O)O)O)O    		 BETA-D-GALACTOSE
    21291
    GLC
    CHEMBL423707
    ZINC000003861213    		 6165 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-DVKNGEFBSA-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    		 alpha-D-glucopyranose;
    alpha-D-glucose;
    D-glucose;
    glucose
    21292
    GLD
    DB01841
    ZINC000012501177    		 15 C6 H12 O4 InChI=1S/C6H12O4/c1-3-2-4
    (7)5(8)6(9)10-3/h3-9H,2H2
    ,1H3/t3-,4+,5-,6+/m1/s1;
    BJBURJZEESAQPG-MOJAZDJTSA-N    		 C[CH]1C[CH](O)[CH](O)[CH](O)O1; OC1CC(OC
    (O)C1O)C; CC1CC(C(C(O1)O)O)O; C[C@@H]1C[
    C@@H]([C@H]([C@H](O1)O)O)O; C[C@@H]1C[C@
    H](O)[C@@H](O)[C@@H](O)O1    		 4,6-dideoxy-alpha-D-xylo-hexopyranose;
    4,6-DIDEOXYGLUCOSE;
    4,6-dideoxy-alpha-D-xylo-hexose;
    4,6-dideoxy-D-xylo-hexose;
    4,6-dideoxy-xylo-hexose
    21293
    GLE
    DB07836
    ZINC000015529503    		 1 C16 H32 F3 O6 P InChI=1S/C16H32F3O6P/c1-3
    -4-5-6-7-8-9-10-11-23-12-
    15(25-26(20,21)22-2)13-24
    -14-16(17,18)19/h15H,3-14
    H2,1-2H3,(H,20,21)/t15-/m
    0/s1;
    YBCDZAGHRGXDRX-HNNXBMFYSA-N    		 CCCCCCCCCCOCC(COCC(F)(F)F)OP(=O)(O)OC; C
    CCCCCCCCCOC[CH](COCC(F)(F)F)O[P](O)(=O)O
    C; FC(F)(F)COCC(OP(=O)(OC)O)COCCCCCCCCCC
    ; CCCCCCCCCCOCC(COCC(F)(F)F)O[P@@](=O)(O
    )OC; CCCCCCCCCCOC[C@@H](COCC(F)(F)F)O[P@
    ](O)(=O)OC    		 1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL
    21294
    GLF
    ZINC000005131876    		 11 C6 H11 F O5 InChI=1S/C6H11FO5/c7-6-5(
    11)4(10)3(9)2(1-8)12-6/h2
    -6,8-11H,1H2/t2-,3-,4+,5-
    ,6+/m1/s1;
    ATMYEINZLWEOQU-DVKNGEFBSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)F)O
    )O)O)O; C(C1C(C(C(C(O1)F)O)O)O)O; OC[CH]
    1O[CH](F)[CH](O)[CH](O)[CH]1O; OC[C@H]1O
    [C@H](F)[C@H](O)[C@@H](O)[C@@H]1O; FC1OC
    (C(O)C(O)C1O)CO    		 alpha-D-glucopyranosyl fluoride;
    1-FLUORO-ALPHA-1-DEOXY-D-GLUCOSE;
    alpha-D-glucosyl fluoride;
    D-glucosyl fluoride;
    glucosyl fluoride
    21295
    GLG
    CHEMBL135302
    DB02720    		 1 C7 H13 N O6 InChI=1S/C7H13NO6/c8-7(13
    )6-5(12)4(11)3(10)2(1-9)1
    4-6/h2-6,9-12H,1H2,(H2,8,
    13)/t2-,3-,4+,5-,6+/m1/s1;
    UKWLGCFJAVEFPE-DVKNGEFBSA-N    		 NC(=O)[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
    ; C(C1C(C(C(C(O1)C(=O)N)O)O)O)O; C([C@@H
    ]1[C@H]([C@@H]([C@H]([C@H](O1)C(=O)N)O)O
    )O)O; O=C(N)C1OC(CO)C(O)C(O)C1O; NC(=O)[
    C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O    		 ALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ACID AMIDE
    21296
    GLH    		 0 C18 H31 N3 O4 InChI=1S/C18H31N3O4/c19-1
    5(17(23)24)11-12-16(22)21
    (14-9-5-2-6-10-14)18(25)2
    0-13-7-3-1-4-8-13/h13-15H
    ,1-12,19H2,(H,20,25)(H,23
    ,24)/t15-/m0/s1;
    RAARUSGPXZLHBT-HNNXBMFYSA-N    		 C1CCC(CC1)NC(=O)N(C2CCCCC2)C(=O)CC[C@@H]
    (C(=O)O)N; N[C@@H](CCC(=O)N(C1CCCCC1)C(=
    O)NC2CCCCC2)C(O)=O; C1CCC(CC1)NC(=O)N(C2
    CCCCC2)C(=O)CCC(C(=O)O)N; O=C(NC1CCCCC1)
    N(C(=O)CCC(C(=O)O)N)C2CCCCC2; N[CH](CCC(
    =O)N(C1CCCCC1)C(=O)NC2CCCCC2)C(O)=O    		 N-5-CYCLOHEXYL-N-5-[(CYCLOHEXYLAMINO)CARBONYL]GLUTAMINE
    21297
    GLI    		 0 C29 H47 N5 O7 InChI=1/C29H47N5O7/c1-16(
    2)24(28(39)34-25(17(3)4)2
    9(40)41-7)33-23(36)14-13-
    22(35)21(15-20-11-9-8-10-
    12-20)32-27(38)19(6)31-26
    (37)18(5)30/h8-12,16-19,2
    1-22,24-25,35H,13-15,30H2
    ,1-7H3,(H,31,37)(H,32,38)
    (H,33,36)(H,34,39)/t18-,1
    9-,21-,22-,24-,25-/m0/s1/
    f/h31-34H;
    IUDCAKKZLXFOQA-CDTQGVENDN    		 COC(=O)[CH](NC(=O)[CH](NC(=O)CC[CH](O)[C
    H](Cc1ccccc1)NC(=O)[CH](C)NC(=O)[CH](C)N
    )C(C)C)C(C)C; COC(=O)[C@@H](NC(=O)[C@@H]
    (NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[
    C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C; O=C(
    OC)C(NC(=O)C(NC(=O)CCC(O)C(NC(=O)C(NC(=O
    )C(N)C)C)Cc1ccccc1)C(C)C)C(C)C; CC(C)[C@
    @H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)CC[
    C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=
    O)[C@H](C)N)O; CC(C)C(C(=O)NC(C(C)C)C(=O
    )OC)NC(=O)CCC(C(Cc1ccccc1)NC(=O)C(C)NC(=
    O)C(C)N)O    		 ALA-ALA-PHE-PSI((S)-CHOH-CH2)-GLY-VAL-VAL-OME;
    SKF 107457
    21298
    GLJ
    ZINC000098208955    		 2 C5 H11 N O4 InChI=1S/C5H11NO4/c6-3(5(
    9)10)1-2-4(7)8/h3-4,7-8H,
    1-2,6H2,(H,9,10)/t3-/m0/s
    1;
    FIKXYBCGRJPSSD-VKHMYHEASA-N    		 C(CC(O)O)C(C(=O)O)N; C(CC(O)O)[C@@H](C(=
    O)O)N; N[C@@H](CCC(O)O)C(O)=O; O=C(O)C(N
    )CCC(O)O; N[CH](CCC(O)O)C(O)=O    		 5,5-dihydroxy-L-norvaline
    21299
    GLK
    ZINC000098208956    		 0 C5 H11 N O4 InChI=1S/C5H11NO4/c6-3(5(
    9)10)1-2-4(7)8/h3,5,9-10H
    ,1-2,6H2,(H,7,8)/t3-/m0/s
    1;
    MKADZLMZCPSMML-VKHMYHEASA-N    		 N[CH](CCC(O)=O)C(O)O; C(CC(=O)O)[C@@H](C
    (O)O)N; O=C(O)CCC(N)C(O)O; C(CC(=O)O)C(C
    (O)O)N; N[C@@H](CCC(O)=O)C(O)O    		 (4S)-4-amino-5,5-dihydroxypentanoic acid
    21300
    GLL
    DB03533    		 7 C4 H6 N4 O2 InChI=1S/C4H6N4O2/c9-3-5-
    1-2(7-3)8-4(10)6-1/h1-2H,
    (H2,5,7,9)(H2,6,8,10)/t1-
    ,2+;
    VPVSTMAPERLKKM-XIXRPRMCSA-N    		 C12C(NC(=O)N1)NC(=O)N2; O=C1NC2NC(=O)NC2
    N1; O=C1N[C@@H]2NC(=O)N[C@@H]2N1; O=C1N[
    CH]2NC(=O)N[CH]2N1    		 GLYCOLURIL
    21301
    GLM    		 0 C3 H7 N O InChI=1S/C3H7NO/c1-3(5)2-
    4/h2,4H2,1H3;
    BCDGQXUMWHRQCB-UHFFFAOYSA-N    		 O=C(C)CN; CC(=O)CN 1-AMINO-PROPAN-2-ONE
    21302
    GLN
    CHEMBL930
    DB00130
    ZINC000001532526    		 364 C5 H10 N2 O3 InChI=1S/C5H10N2O3/c6-3(5
    (9)10)1-2-4(7)8/h3H,1-2,6
    H2,(H2,7,8)(H,9,10)/t3-/m
    0/s1;
    ZDXPYRJPNDTMRX-VKHMYHEASA-N    		 C(CC(=O)N)C(C(=O)O)N; C(CC(=O)N)[C@@H](C
    (=O)O)N; O=C(N)CCC(N)C(=O)O; N[CH](CCC(N
    )=O)C(O)=O; N[C@@H](CCC(N)=O)C(O)=O    		 GLUTAMINE
    21303
    GLO
    CHEMBL448805
    DB01914
    ZINC000100009383    		 21 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3(9
    )5(11)6(12)4(10)2-8/h1,3-
    6,8-12H,2H2/t3-,4+,5+,6+/
    m0/s1;
    GZCGUPFRVQAUEE-SLPGGIOYSA-N    		 OC[CH](O)[CH](O)[CH](O)[CH](O)C=O; C([C@
    H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O; O=C
    C(O)C(O)C(O)C(O)CO; C(C(C(C(C(C=O)O)O)O)
    O)O; OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](
    O)C=O    		 D-glucose;
    D-GLUCOSE IN LINEAR FORM
    21304
    GLP
    DB02657
    ZINC000004097103    		 18 C6 H14 N O8 P InChI=1S/C6H14NO8P/c7-3-5
    (9)4(8)2(15-6(3)10)1-14-1
    6(11,12)13/h2-6,8-10H,1,7
    H2,(H2,11,12,13)/t2-,3-,4
    -,5-,6+/m1/s1;
    XHMJOUIAFHJHBW-UKFBFLRUSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N
    )O)O)OP(=O)(O)O; N[CH]1[CH](O)O[CH](CO[P
    ](O)(O)=O)[CH](O)[CH]1O; C(C1C(C(C(C(O1)
    O)N)O)O)OP(=O)(O)O; N[C@H]1[C@@H](O)O[C@
    H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O; O=P(
    O)(O)OCC1OC(O)C(N)C(O)C1O    		 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose;
    GLUCOSAMINE 6-PHOSPHATE;
    6-O-phosphono-alpha-D-glucosamine;
    2-amino-2-deoxy-6-O-phosphono-alpha-D-glucose;
    2-amino-2-deoxy-6-O-phosphono-D-glucose;
    2-amino-2-deoxy-6-O-phosphono-glucose
    21305
    GLQ    		 0 C5 H9 N O3 InChI=1S/C5H9NO3/c6-4(3-7
    )1-2-5(8)9/h3-4H,1-2,6H2,
    (H,8,9);
    MPUUQNGXJSEWTF-UHFFFAOYSA-N    		 O=CC(N)CCC(=O)O; NC(CCC(O)=O)C=O; C(CC(=
    O)O)C(C=O)N    		 4-AMINO-5-OXO-PENTANOIC ACID
    21306
    GLR
    DB03237    		 14 C6 H6 O7 InChI=1S/C6H8O7/c7-2(4(9)
    6(12)13)1-3(8)5(10)11/h2,
    4,7,9H,1H2,(H,10,11)(H,12
    ,13)/p-2/t2-,4+/m0/s1;
    QUURPCHWPQNNGL-ZAFYKAAXSA-L    		 O[CH](CC(=O)C([O-])=O)[CH](O)C([O-])=O;
    C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[
    O-]; C(C(C(C(=O)[O-])O)O)C(=O)C(=O)[O-];
    O[C@@H](CC(=O)C([O-])=O)[C@@H](O)C([O-]
    )=O; O=C([O-])C(O)C(O)CC(=O)C([O-])=O    		 2,3-DIHYDROXY-5-OXO-HEXANEDIOATE
    21307
    GLS
    CHEMBL510975
    ZINC000003833817    		 2 C8 H12 N2 O7 InChI=1S/C8H12N2O7/c11-1-
    2-3(12)4(13)5(14)8(17-2)6
    (15)9-7(16)10-8/h2-5,11-1
    4H,1H2,(H2,9,10,15,16)/t2
    -,3-,4+,5-,8+/m1/s1;
    QRXBDPYWCAAAAI-WWHASAIZSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=
    O)NC(=O)N2)O)O)O)O; C(C1C(C(C(C2(O1)C(=O
    )NC(=O)N2)O)O)O)O; OC[CH]1O[C]2(NC(=O)NC
    2=O)[CH](O)[CH](O)[CH]1O; OC[C@H]1O[C@@]
    2(NC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O;
    O=C2NC(=O)NC21OC(C(O)C(O)C1O)CO    		 BETA-D-GLUCOPYRANOSE SPIROHYDANTOIN
    21308
    GLT
    CHEMBL134001
    ZINC000004134459    		 2 C6 H12 O5 S InChI=1S/C6H12O5S/c7-1-2-
    3(8)4(9)5(10)6(11)12-2/h2
    -11H,1H2/t2-,3-,4+,5-,6+/
    m1/s1;
    KNWYARBAEIMVMZ-DVKNGEFBSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](S1)O)O
    )O)O)O; OC[C@H]1S[C@H](O)[C@H](O)[C@@H](
    O)[C@@H]1O; C(C1C(C(C(C(S1)O)O)O)O)O; OC
    1C(O)C(SC(O)C1O)CO; OC[CH]1S[CH](O)[CH](
    O)[CH](O)[CH]1O    		 5-thio-alpha-D-glucopyranose;
    5-DEOXY-5-THIO-ALPHA-D-GLUCOSE;
    5-thio-alpha-D-glucose;
    5-thio-D-glucose;
    5-thio-glucose
    21309
    GLU
    CHEMBL575060
    DB00142
    ZINC000001482113    		 1135 C5 H9 N O4 InChI=1S/C5H9NO4/c6-3(5(9
    )10)1-2-4(7)8/h3H,1-2,6H2
    ,(H,7,8)(H,9,10)/t3-/m0/s
    1;
    WHUUTDBJXJRKMK-VKHMYHEASA-N    		 O=C(O)C(N)CCC(=O)O; C(CC(=O)O)C(C(=O)O)N
    ; C(CC(=O)O)[C@@H](C(=O)O)N; N[C@@H](CCC
    (O)=O)C(O)=O; N[CH](CCC(O)=O)C(O)=O    		 GLUTAMIC ACID
    21310
    GLV
    CHEMBL1162545
    DB04343
    ZINC000004658554    		 35 C2 H2 O3 InChI=1S/C2H2O3/c3-1-2(4)
    5/h1H,(H,4,5);
    HHLFWLYXYJOTON-UHFFFAOYSA-N    		 C(=O)C(=O)O; O=CC(=O)O; OC(=O)C=O GLYOXYLIC ACID;
    GLYOXALATE;
    GLYOXYLATE
    21311
    GLW    		 0 C6 H12 O5 InChI=1/C6H12O5/c1-2-3(7)
    4(8)5(9)6(10)11-2/h2-10H,
    1H3/t2-,3-,4+,5-,6+/m1/s1;
    SHZGCJCMOBCMKK-DVKNGEFBBL    		 OC1C(O)C(OC(O)C1O)C; CC1C(C(C(C(O1)O)O)O
    )O; C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)
    O)O)O)O; C[CH]1O[CH](O)[CH](O)[CH](O)[CH
    ]1O; C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C
    @@H]1O    		 6-DEOXYGLUCOSE
    21312
    GLX    		 0 C5 H8 N O2 X2 ;
    		 *=C(*)CCC(C(=O)O)N; *=C(*)CC[C@@H](C(=O)
    O)N; C(CC[C@H](N)C(O)=O)(=[F,Cl,Br,I])[F
    ,Cl,Br,I]; C(CC[CH](N)C(O)=O)(=[F,Cl,Br,
    I])[F,Cl,Br,I]    		 GLU/GLN AMBIGUOUS
    21313
    GLY
    CHEMBL773
    DB00145
    ZINC000004658552    		 1074 C2 H5 N O2 InChI=1S/C2H5NO2/c3-1-2(4
    )5/h1,3H2,(H,4,5);
    DHMQDGOQFOQNFH-UHFFFAOYSA-N    		 C(C(=O)O)N; NCC(O)=O; O=C(O)CN GLYCINE
    21314
    GLZ
    CHEMBL296723
    ZINC000008220689    		 0 C2 H5 N O InChI=1S/C2H5NO/c3-1-2-4/
    h2H,1,3H2;
    LYIIBVSRGJSHAV-UHFFFAOYSA-N    		 C(C=O)N; NCC=O; O=CCN AMINO-ACETALDEHYDE
    21315
    GM0    		 2 C7 H15 O10 P InChI=1S/C7H15O10P/c8-1-2
    (9)5-6(17-18(13,14)15)3(1
    0)4(11)7(12)16-5/h2-12H,1
    H2,(H2,13,14,15)/t2-,3+,4
    -,5+,6-,7-/m0/s1;
    JDFMKMOMBHLESC-OPTWKVKHSA-N    		 OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]
    1O[P](O)(O)=O; O=P(O)(O)OC1C(OC(O)C(O)C1
    O)C(O)CO; OC[C@H](O)[C@H]1O[C@H](O)[C@@H
    ](O)[C@@H](O)[C@@H]1O[P](O)(O)=O; C(C(C1
    C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O    		 4-O-phosphono-L-glycero-alpha-D-manno-heptopyranose;
    4-O-phosphono-L-glycero-alpha-D-manno-heptose;
    4-O-phosphono-L-glycero-D-manno-heptose;
    4-O-phosphono-L-glycero-manno-heptose
    21316
    GM1
    CHEMBL86954
    DB03636
    ZINC000035874641    		 4 C2 H6 N2 O InChI=1S/C2H6N2O/c3-1-2(4
    )5/h1,3H2,(H2,4,5);
    BEBCJVAWIBVWNZ-UHFFFAOYSA-N    		 C(C(=O)N)N; O=C(N)CN; NCC(N)=O AMINOMETHYLAMIDE;
    GLYCINAMID
    21317
    GM2
    ZINC000058631724    		 1 C43 H85 N O8 InChI=1S/C43H85NO8/c1-3-5
    -7-9-11-13-15-17-19-21-23
    -25-27-29-31-33-39(47)44-
    36(35-51-43-42(50)41(49)4
    0(48)38(34-45)52-43)37(46
    )32-30-28-26-24-22-20-18-
    16-14-12-10-8-6-4-2/h36-3
    8,40-43,45-46,48-50H,3-35
    H2,1-2H3,(H,44,47)/t36-,3
    7-,38+,40+,41-,42+,43+/m0
    /s1;
    SYMIJCRAJBNLEL-YPQBUIQASA-N    		 CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)
    CO)O)O)O)C(CCCCCCCCCCCCCCCC)O; CCCCCCCCC
    CCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H
    ]([C@@H]([C@H](O1)CO)O)O)O)[C@H](CCCCCCC
    CCCCCCCCC)O; CCCCCCCCCCCCCCCCCC(=O)N[CH]
    (CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[C
    H](O)CCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCC
    C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O
    )[C@H](O)[C@H]1O)[C@@H](O)CCCCCCCCCCCCCC
    CC; O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)CCC
    CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC    		 N-[(1S,2S)-2-HYDROXY-1-({[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-YL]OXY}METHYL)OCTADECYL]OCTADECANAMIDE
    21318
    GM3
    ZINC000098208961    		 1 C50 H99 N O8 InChI=1S/C50H99NO8/c1-3-5
    -7-9-11-13-15-17-19-20-21
    -22-23-24-26-28-30-32-34-
    36-38-40-46(54)51-43(42-5
    8-50-49(57)48(56)47(55)45
    (41-52)59-50)44(53)39-37-
    35-33-31-29-27-25-18-16-1
    4-12-10-8-6-4-2/h43-45,47
    -50,52-53,55-57H,3-42H2,1
    -2H3,(H,51,54)/t43-,44+,4
    5+,47+,48-,49+,50-/m0/s1;
    OOIZAFBOLVYGJT-HDTBOXPDSA-N    		 O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)CCCCCCC
    CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC; CCCC
    CCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O
    1)CO)O)O)O)C(CCCCCCCCCCCCCCCCC)O; CCCCCC
    CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[
    C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O
    )CCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCCCC
    CCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C
    @@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCC
    CCCCCCC)O; CCCCCCCCCCCCCCCCCCCCCCCC(=O)N
    [CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1
    O)[CH](O)CCCCCCCCCCCCCCCCC    		 N-{1-[(HEXOPYRANOSYLOXY)METHYL]-2-HYDROXYNONADECYL}TETRACOSANAMIDE
    21319
    GM4
    CHEMBL60542
    ZINC000002015833    		 3 C19 H27 N O InChI=1S/C19H27NO/c1-13(2
    )7-9-20-10-8-19(4)14(3)18
    (20)11-15-5-6-16(21)12-17
    (15)19/h5-7,12,14,18,21H,
    8-11H2,1-4H3/t14-,18+,19+
    /m1/s1;
    VOKSWYLNZZRQPF-CCKFTAQKSA-N    		 C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2
    CC=C(C)C; C[C@@H]1[C@@H]2Cc3ccc(cc3[C@]1
    (CCN2CC=C(C)C)C)O; C[CH]1[CH]2Cc3ccc(O)c
    c3[C]1(C)CCN2CC=C(C)C; C1(C)C2(c3c(CC1N(
    CC2)C[C@H]=C(C)C)ccc(c3)O)C; CC1C2Cc3ccc
    (cc3C1(CCN2CC=C(C)C)C)O    		 (2S,6S,11S)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
    21320
    GM5
    CHEMBL2178342
    ZINC000072316041    		 8 C16 H14 N4 O2 S InChI=1S/C16H14N4O2S/c21-
    16(18-22)13-6-4-5-12(9-13
    )15-10-20(19-17-15)11-23-
    14-7-2-1-3-8-14/h1-10,22H
    ,11H2,(H,18,21);
    DORPIZJGSLWDIY-UHFFFAOYSA-N    		 c1ccc(cc1)SCn2cc(nn2)c3cccc(c3)C(=O)NO;
    ONC(=O)c1cccc(c1)c2cn(CSc3ccccc3)nn2    		 ~{N}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide
    21321
    GM6
    CHEMBL19611
    DB02255
    ZINC000003780014    		 10 C20 H28 N4 O4 InChI=1S/C20H28N4O4/c1-12
    (2)8-13(10-18(25)24-28)19
    (26)23-17(20(27)21-3)9-14
    -11-22-16-7-5-4-6-15(14)1
    6/h4-7,11-13,17,22,28H,8-
    10H2,1-3H3,(H,21,27)(H,23
    ,26)(H,24,25)/t13-,17+/m1
    /s1;
    NITYDPDXAAFEIT-DYVFJYSZSA-N    		 O=C(NO)CC(C(=O)NC(C(=O)NC)Cc2c1ccccc1nc2
    )CC(C)C; CC(C)CC(CC(=O)NO)C(=O)NC(Cc1c[n
    H]c2c1cccc2)C(=O)NC; CNC(=O)[CH](Cc1c[nH
    ]c2ccccc12)NC(=O)[CH](CC(C)C)CC(=O)NO; C
    C(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH
    ]c2c1cccc2)C(=O)NC; CNC(=O)[C@H](Cc1c[nH
    ]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO    		 3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE;
    GM6001
    21322
    GM7
    CHEMBL3278349
    ZINC000000403420    		 2 C8 H7 N O4 InChI=1S/C8H7NO4/c9-4-1-2
    -5(7(10)11)6(3-4)8(12)13/
    h1-3H,9H2,(H,10,11)(H,12,
    13);
    OXSANYRLJHSQEP-UHFFFAOYSA-N    		 Nc1ccc(C(O)=O)c(c1)C(O)=O; C(O)(c1cc(ccc
    1C(O)=O)N)=O; c1cc(c(cc1N)C(=O)O)C(=O)O    		 4-aminobenzene-1,2-dicarboxylic acid
    21323
    GM8    		 0 C10 H19 N O2 InChI=1S/C10H19NO2/c1-2-7
    (10(12)13)8-5-3-4-6-9(8)1
    1/h7-9H,2-6,11H2,1H3,(H,1
    2,13)/t7-,8-,9-/m0/s1;
    CYTBXYAGIBMIHA-CIUDSAMLSA-N    		 CC[C@@H]([C@@H]1CCCC[C@@H]1N)C(=O)O; O=C
    (O)C(CC)C1CCCCC1N; CCC(C1CCCCC1N)C(=O)O;
    CC[CH]([CH]1CCCC[CH]1N)C(O)=O; CC[C@@H]
    ([C@@H]1CCCC[C@@H]1N)C(O)=O    		 (2S)-2-[(1S,2S)-2-aminocyclohexyl]butanoic acid
    21324
    GM9
    CHEMBL563646
    DB12022
    ZINC000001494905    		 1 C25 H28 N2 O5 S InChI=1S/C25H28N2O5S/c1-2
    5(2,3)21-11-9-19(10-12-21
    )16-27(33(30,31)23-8-5-13
    -26-15-23)17-20-6-4-7-22(
    14-20)32-18-24(28)29/h4-1
    5H,16-18H2,1-3H3,(H,28,29
    );
    WOHRHWDYFNWPNG-UHFFFAOYSA-N    		 CC(C)(C)c1ccc(CN(Cc2cccc(OCC(O)=O)c2)[S]
    (=O)(=O)c3cccnc3)cc1; CC(C)(C)c1ccc(cc1)
    CN(Cc2cccc(c2)OCC(=O)O)S(=O)(=O)c3cccnc3    		 2-[3-[[(4-~{tert}-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid
    21325
    GMA
    DB03091
    ZINC000002508203    		 0 C5 H10 N2 O3 InChI=1S/C5H10N2O3/c6-3(5
    (7)10)1-2-4(8)9/h3H,1-2,6
    H2,(H2,7,10)(H,8,9)/t3-/m
    0/s1;
    AEFLONBTGZFSGQ-VKHMYHEASA-N    		 O=C(N)C(N)CCC(=O)O; C(CC(=O)O)C(C(=O)N)N
    ; N[CH](CCC(O)=O)C(N)=O; C(CC(=O)O)[C@@H
    ](C(=O)N)N; N[C@@H](CCC(O)=O)C(N)=O    		 4-AMIDO-4-CARBAMOYL-BUTYRIC ACID
    21326
    GMB
    ZINC000058631726    		 1 C7 H16 O13 P2 InChI=1S/C7H16O13P2/c8-2(
    1-18-21(12,13)14)6-4(10)3
    (9)5(11)7(19-6)20-22(15,1
    6)17/h2-11H,1H2,(H2,12,13
    ,14)(H2,15,16,17)/t2-,3-,
    4-,5-,6+,7-/m0/s1;
    LMTGTTLGDUACSJ-QQABCQGCSA-N    		 C(C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O)OP(=
    O)(O)O; O[CH](CO[P](O)(O)=O)[CH]1O[CH](O
    [P](O)(O)=O)[CH](O)[CH](O)[CH]1O; O[C@@H
    ](CO[P](O)(O)=O)[C@H]1O[C@@H](O[P](O)(O)
    =O)[C@@H](O)[C@@H](O)[C@@H]1O; C([C@@H](
    [C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OP(
    =O)(O)O)O)O)O)O)OP(=O)(O)O    		 1,7-di-O-phosphono-L-glycero-beta-D-manno-heptopyranose;
    1,7-di-O-phosphono-L-glycero-beta-D-manno-heptose;
    1,7-di-O-phosphono-L-glycero-D-manno-heptose;
    1,7-di-O-phosphono-L-glycero-manno-heptose
    21327
    GMC
    CHEMBL1233071
    ZINC000003875394    		 3 C12 H18 N6 O3 InChI=1S/C12H18N6O3/c1-17
    (2)10-8-11(15-4-14-10)18(
    5-16-8)12-9(20)7(13)6(3-1
    9)21-12/h4-7,9,12,19-20H,
    3,13H2,1-2H3/t6-,7-,9-,12
    -/m1/s1;
    RYSMHWILUNYBFW-GRIPGOBMSA-N    		 CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H
    ]([C@H](O3)CO)N)O; CN(C)c1ncnc2n(cnc12)[
    CH]3O[CH](CO)[CH](N)[CH]3O; CN(C)c1ncnc2
    n(cnc12)[C@@H]3O[C@H](CO)[C@@H](N)[C@H]3
    O; CN(C)c1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)N
    )O; n2c1c(ncnc1N(C)C)n(c2)C3OC(C(N)C3O)C
    O    		 (2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-3-FURANOL;
    6N-DIMETHYL-3'-DEOXY-AMINO-ADENOSINE
    21328
    GMD    		 1 C16 H25 N5 O2 S InChI=1S/C16H25N5O2S/c17-
    16-15-14(19-10-20-16)11(5
    -18-15)6-21-7-12(13(23)8-
    21)9-24-4-2-1-3-22/h5,10,
    12-13,18,22-23H,1-4,6-9H2
    ,(H2,17,19,20)/t12-,13+/m
    1/s1;
    LDGNPMXZDVLXIT-OLZOCXBDSA-N    		 Nc1ncnc2c(CN3C[CH](O)[CH](CSCCCCO)C3)c[n
    H]c12; c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]
    ([C@H](C3)O)CSCCCCO; Nc1ncnc2c(CN3C[C@H]
    (O)[C@@H](CSCCCCO)C3)c[nH]c12; c1c(c2c([
    nH]1)c(ncn2)N)CN3CC(C(C3)O)CSCCCCO; C(O)
    CCCSCC1CN(CC1O)Cc2cnc3c2ncnc3N    		 (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-hydroxybutyl)sulfanyl]methyl}pyrrolidin-3-ol;
    hydroxybutylthio-DADMe-Immucillin-A
    21329
    GME
    CHEMBL1233072
    ZINC000002003955    		 0 C6 H11 N O4 InChI=1S/C6H11NO4/c1-11-5
    (8)3-2-4(7)6(9)10/h4H,2-3
    ,7H2,1H3,(H,9,10)/t4-/m0/
    s1;
    ZGEYCCHDTIDZAE-BYPYZUCNSA-N    		 COC(=O)CC[C@H](N)C(O)=O; COC(=O)CCC(C(=O
    )O)N; COC(=O)CC[C@@H](C(=O)O)N; COC(=O)C
    C[CH](N)C(O)=O; O=C(OC)CCC(C(=O)O)N    		 5-O-methyl-glutamic acid;
    (2S)-2-amino-5-methoxy-5-oxopentanoic acid
    21330
    GMF
    ZINC000095920498    		 1 C20 H20 N4 O InChI=1S/C20H20N4O/c1-25-
    18-7-3-5-16(13-18)15-4-2-
    6-17(12-15)19(24-20(21)22
    )14-8-10-23-11-9-14/h2-13
    ,19H,1H3,(H4,21,22,24)/t1
    9-/m1/s1;
    LSPQISZRKHVJOD-LJQANCHMSA-N    		 O(c1cccc(c1)c2cccc(c2)C(NC(=[N@H])N)c3cc
    ncc3)C; COc1cccc(c1)c2cccc(c2)[C@H](NC(N
    )=N)c3ccncc3; [H]/N=C(\N)/N[C@H](c1ccncc
    1)c2cccc(c2)c3cccc(c3)OC; COc1cccc(c1)c2
    cccc(c2)[CH](NC(N)=N)c3ccncc3; COc1cccc(
    c1)c2cccc(c2)C(c3ccncc3)NC(=N)N    		 2-[[3-(3-methoxyphenyl)phenyl]-(4-pyridyl)methyl]guanidine
    21331
    GMG
    CHEMBL549906
    DB07837
    ZINC000043016385    		 1 C25 H18 N2 O2 InChI=1S/C25H18N2O2/c28-2
    4(29)11-16-5-7-18(8-6-16)
    23-15-27-25-22(23)13-21(1
    4-26-25)20-10-9-17-3-1-2-
    4-19(17)12-20/h1-10,12-15
    H,11H2,(H,26,27)(H,28,29);
    SWXKLXXVFMYMDP-UHFFFAOYSA-N    		 OC(=O)Cc1ccc(cc1)c2c[nH]c3ncc(cc23)c4ccc
    5ccccc5c4; O=C(O)Cc5ccc(c2c1cc(cnc1nc2)c
    4cc3ccccc3cc4)cc5; c1ccc2cc(ccc2c1)c3cc4
    c(c[nH]c4nc3)c5ccc(cc5)CC(=O)O    		 [4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid
    21332
    GMH
    DB04526    		 16 C7 H14 O7 InChI=1S/C7H14O7/c8-1-2(9
    )6-4(11)3(10)5(12)7(13)14
    -6/h2-13H,1H2/t2-,3-,4-,5
    -,6+,7-/m0/s1;
    BGWQRWREUZVRGI-QQABCQGCSA-N    		 OC[C@H](O)[C@H]1O[C@H](O)[C@@H](O)[C@@H]
    (O)[C@@H]1O; C(C(C1C(C(C(C(O1)O)O)O)O)O)
    O; OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[
    CH]1O; OC1C(O)C(OC(O)C1O)C(O)CO; C([C@@H
    ]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)
    O)O)O)O)O    		 L-glycero-alpha-D-manno-heptopyranose;
    L-glycero-alpha-D-manno-heptose;
    L-glycero-D-manno-heptose;
    L-glycero-manno-heptose;
    L-GLYCERO-D-MANNO-HEPTOPYRANOSE
    21333
    GMI    		 0 C13 H21 N4 O6 P2 S InChI=1S/C13H20N4O6P2S/c1
    -9-12(3-4-23-25(21,22)8-2
    4(18,19)20)26-7-17(9)6-11
    -5-15-10(2)16-13(11)14/h5
    ,7H,3-4,6,8H2,1-2H3,(H4-,
    14,15,16,18,19,20,21,22)/
    p+1;
    NSFCGDWNWBEOER-UHFFFAOYSA-O    		 Cc1ncc(C[n+]2csc(CCO[P](O)(=O)C[P](O)(O)
    =O)c2C)c(N)n1; O=P(O)(O)CP(=O)(O)OCCc1sc
    [n+](Cc2cnc(C)nc2N)c1C; Cc1c(sc[n+]1Cc2c
    nc(nc2N)C)CCOP(=O)(CP(=O)(O)O)O    		 [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-oxidanyl-phosphoryl]methylphosphonic acid
    21334
    GMJ
    CHEMBL54
    DB00502
    ZINC000000537822    		 5 C21 H23 Cl F N O2 InChI=1S/C21H23ClFNO2/c22
    -18-7-5-17(6-8-18)21(26)1
    1-14-24(15-12-21)13-1-2-2
    0(25)16-3-9-19(23)10-4-16
    /h3-10,26H,1-2,11-15H2;
    LNEPOXFFQSENCJ-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl
    )O)F; C(CC(c1ccc(F)cc1)=O)CN2CCC(O)(CC2)
    c3ccc(cc3)Cl; OC1(CCN(CCCC(=O)c2ccc(F)cc
    2)CC1)c3ccc(Cl)cc3    		 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
    21335
    GMK
    ZINC000098208963    		 1 C28 H36 N2 O15 S2 InChI=1S/C28H36N2O15S2/c1
    -41-15-7-3-5-13(9-15)25(3
    6)29-19-21(33)17(11-31)43
    -27(23(19)35)46-28-24(45-
    47(38,39)40)20(22(34)18(1
    2-32)44-28)30-26(37)14-6-
    4-8-16(10-14)42-2/h3-10,1
    7-24,27-28,31-35H,11-12H2
    ,1-2H3,(H,29,36)(H,30,37)
    (H,38,39,40)/t17-,18-,19+
    ,20+,21+,22+,23-,24-,27+,
    28+/m1/s1;
    CNUFQRWWCPUUQG-CWKIZLMASA-N    		 COc1cccc(c1)C(=O)N[C@H]2[C@@H](O)[C@@H](
    CO)O[C@@H](S[C@@H]3O[C@H](CO)[C@H](O)[C@
    H](NC(=O)c4cccc(OC)c4)[C@H]3O[S](O)(=O)=
    O)[C@@H]2O; O=S(=O)(O)OC4C(NC(=O)c1cccc(
    OC)c1)C(O)C(OC4SC3OC(CO)C(O)C(NC(=O)c2cc
    cc(OC)c2)C3O)CO; COc1cccc(c1)C(=O)NC2C(C
    (OC(C2O)SC3C(C(C(C(O3)CO)O)NC(=O)c4cccc(
    c4)OC)OS(=O)(=O)O)CO)O; COc1cccc(c1)C(=O
    )N[CH]2[CH](O)[CH](CO)O[CH](S[CH]3O[CH](
    CO)[CH](O)[CH](NC(=O)c4cccc(OC)c4)[CH]3O
    [S](O)(=O)=O)[CH]2O; COc1cccc(c1)C(=O)N[
    C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3
    [C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c
    4cccc(c4)OC)OS(=O)(=O)O)CO)O    		 (3-Deoxy-3-(3-methoxy-benzamido)-b-D-galactopyranosyl)-(3-deoxy-3-(3-methoxy-benzamido)-2-O-sulfo-b-D-galactopyranosyl)-sulfide
    21336
    GMM    		 1 C66 H126 O8 InChI=1S/C66H126O8/c1-3-5
    -7-9-11-12-13-14-15-16-17
    -18-19-20-21-22-23-24-25-
    26-27-28-29-30-31-32-33-3
    4-35-36-37-38-39-40-41-42
    -43-44-45-46-47-48-49-50-
    51-53-55-57-60(67)59(56-5
    4-52-10-8-6-4-2)65(71)73-
    58-61-62(68)63(69)64(70)6
    6(72)74-61/h24-25,34-35,5
    9-64,66-70,72H,3-23,26-33
    ,36-58H2,1-2H3/b25-24-,35
    -34-/t59-,60-,61+,62-,63+
    ,64-,66-/m1/s1;
    BVARSKHQNMUXIB-WOUBZNJSSA-N    		 CCCCCCCCCCCCCCCCCCC=CCCCCCCCCC=CCCCCCCCC
    CCCCCCCCCCCC(C(CCCCCCCC)C(=O)OCC1C(C(C(C
    (O1)O)O)O)O)O; CCCCCCCCCCCCCCCCCC\C=C/CC
    CCCCCC\C=C/CCCCCCCCCCCCCCCCCCC[C@H]([C@@
    H](CCCCCCCC)C(=O)OC[C@H]1[C@H]([C@@H]([C
    @H]([C@@H](O1)O)O)O)O)O; CCCCCCCCCCCCCCC
    CCC\C=C/CCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCC
    [C@@H](O)[C@@H](CCCCCCCC)C(=O)OC[C@@H]1O
    [C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O; O=C(
    OCC1OC(O)C(O)C(O)C1O)C(CCCCCCCC)C(O)CCCC
    CCCCCCCCCCCCCCC\C=C/CCCCCCCC\C=C/CCCCCCC
    CCCCCCCCCCC; CCCCCCCCCCCCCCCCCCC=CCCCCCC
    CCC=CCCCCCCCCCCCCCCCCCCC[CH](O)[CH](CCCC
    CCCC)C(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[
    CH]1O    		 GLUCOSE MONOMYCOLATE;
    6-O-[(23Z,33Z)-3-HYDROXY-2-OCTYLDOPENTACONTA-23,33-DIENOYL]-ALPHA-D-IDOPYRANOSE
    21337
    GMN
    CHEMBL360055
    ZINC000003830882    		 1 C30 H60 N3 O3 InChI=1S/C30H60N3O3/c1-10
    -31(11-2,12-3)22-25-34-28
    -20-19-21-29(35-26-23-32(
    13-4,14-5)15-6)30(28)36-2
    7-24-33(16-7,17-8)18-9/h1
    9-21H,10-18,22-27H2,1-9H3
    /q+3;
    OZLPUNFFCJDMJD-UHFFFAOYSA-N    		 CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)C
    C)c1OCC[N+](CC)(CC)CC; CC[N+](CC)(CC)CCO
    c1cccc(c1OCC[N+](CC)(CC)CC)OCC[N+](CC)(C
    C)CC; O(c1c(OCC[N+](CC)(CC)CC)cccc1OCC[N
    +](CC)(CC)CC)CC[N+](CC)(CC)CC    		 2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM];
    GALLAMINE
    21338
    GMO    		 0 C15 H16 N4 O6 InChI=1S/C15H16N4O6/c1-8(
    20)13(16)14-17-11(15(23)1
    8(14)7-12(21)22)6-9-2-4-1
    0(5-3-9)19(24)25/h2-6,8,1
    3,20H,7,16H2,1H3,(H,21,22
    )/b11-6-/t8-,13+/m1/s1;
    JQDXBTBETHQVKZ-NGDPAIJVSA-N    		 CC(C(C1=NC(=Cc2ccc(cc2)[N+](=O)[O-])C(=O
    )N1CC(=O)O)N)O; C[C@@H](O)[C@H](N)C1=NC(
    =C\c2ccc(cc2)[N+]([O-])=O)/C(=O)N1CC(O)=
    O; C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)[N+
    ](=O)[O-])/C(=O)N1CC(=O)O)N)O; NC(C2=NC(
    =[C@H]c1ccc(cc1)[N+]([O-])=O)C(N2CC(O)=O
    )=O)C(O)C; C[CH](O)[CH](N)C1=NC(=Cc2ccc(
    cc2)[N+]([O-])=O)C(=O)N1CC(O)=O    		 {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
    PEPTIDE DERIVED CHROMOPHORE
    21339
    GMP
    CHEMBL375655
    DB02857
    ZINC000001550030    		 98 C10 H13 N5 O5 InChI=1S/C10H13N5O5/c11-1
    0-13-7-4(8(19)14-10)12-2-
    15(7)9-6(18)5(17)3(1-16)2
    0-9/h2-3,5-6,9,16-18H,1H2
    ,(H3,11,13,14,19)/t3-,5-,
    6-,9-/m1/s1;
    NYHBQMYGNKIUIF-UUOKFMHZSA-N    		 c1nc2c(n1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N;
    NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C
    @@H](O)[C@H]3O; O=C1c2ncn(c2N=C(N)N1)C3O
    C(C(O)C3O)CO; c1nc2c(n1[C@H]3[C@@H]([C@@
    H]([C@H](O3)CO)O)O)N=C(NC2=O)N; NC1=Nc2n
    (cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O)[CH]3O    		 GUANOSINE
    21340
    GMQ
    CHEMBL4117175    		 1 C34 H34 F N7 O5 InChI=1S/C34H34FN7O5/c1-3
    4(2,3)22-14-21-18-37-42(3
    3(46)30(21)25(35)15-22)28
    -7-5-6-23(24(28)19-43)26-
    16-27(32(45)40(4)39-26)38
    -29-9-8-20(17-36-29)31(44
    )41-10-12-47-13-11-41/h5-
    9,14-18,43H,10-13,19H2,1-
    4H3,(H,36,38);
    GLLQSOROVXWYRC-UHFFFAOYSA-N    		 CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc
    (c3CO)C4=NN(C(=O)C(=C4)Nc5ccc(cn5)C(=O)N
    6CCOCC6)C; CN1N=C(C=C(Nc2ccc(cn2)C(=O)N3
    CCOCC3)C1=O)c4cccc(N5N=Cc6cc(cc(F)c6C5=O
    )C(C)(C)C)c4CO    		 6-~{tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one
    21341
    GMR
    ZINC000100001976    		 2 C24 H34 N4 O5 S InChI=1S/C24H34N4O5S/c1-4
    -21-17(3)15-28(22(21)29)2
    4(31)25-14-13-18-7-11-20(
    12-8-18)34(32,33)27-23(30
    )26-19-9-5-16(2)6-10-19/h
    7-8,11-12,16,19H,4-6,9-10
    ,13-15H2,1-3H3,(H,25,31)(
    H2,26,27,30)/t16-,19+;
    WIGIZIANZCJQQY-UWUNEBHHSA-N    		 CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=
    O)NC(=O)NC3CCC(CC3)C)C; CCC1=C(C)CN(C(=O
    )NCCc2ccc(cc2)[S](=O)(=O)NC(=O)N[CH]3CC[
    CH](C)CC3)C1=O; CCC1=C(C)CN(C(=O)NCCc2cc
    c(cc2)[S](=O)(=O)NC(=O)N[C@H]3CC[C@@H](C
    )CC3)C1=O; S(NC(=O)NC1CCC(C)CC1)(=O)(=O)
    c3ccc(CCNC(=O)N2C(=O)C(=C(C2)C)CC)cc3    		 3-ethyl-4-methyl-N-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-car boxamide;
    glimepiride
    21342
    GMS    		 3 C10 H14 N5 O6 P Se InChI=1S/C10H14N5O6PSe/c1
    1-10-13-8-7(9(17)14-10)12
    -3-15(8)6-1-4(16)5(21-6)2
    -20-22(18,19)23/h3-6,16H,
    1-2H2,(H2,18,19,23)(H3,11
    ,13,14,17)/t4-,5+,6+/m0/s
    1;
    MMKHSOCVUGNOOR-KVQBGUIXSA-N    		 c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=
    O)(O)[SeH])O)N=C(NC2=O)N; NC1=Nc2n(cnc2C
    (=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)([S
    eH])=O)O3; NC1=Nc2n(cnc2C(=O)N1)[CH]3C[C
    H](O)[CH](CO[P](O)([SeH])=O)O3; O=P(O)([
    SeH])OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O; c1
    nc2c(n1C3CC(C(O3)COP(=O)(O)[SeH])O)N=C(N
    C2=O)N    		 2'-DEOXYGUANOSINE-5'-MONOSELENOPHOSPHATE
    21343
    GMT
    ZINC000087529012    		 4 C12 H19 N O10 InChI=1S/C12H19NO10/c1-4(
    15)13-8-10(19)9(18)6(3-14
    )23-12(8)22-5(11(20)21)2-
    7(16)17/h5-6,8-10,12,14,1
    8-19H,2-3H2,1H3,(H,13,15)
    (H,16,17)(H,20,21)/t5-,6+
    ,8+,9+,10+,12-/m0/s1;
    COBMRTSHZAUOCY-BVKYVCSXSA-N    		 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]
    1O[C@@H](CC(=O)O)C(=O)O)CO)O)O; CC(=O)N[
    CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH](CC
    (O)=O)C(O)=O; CC(=O)N[C@@H]1[C@@H](O)[C@
    H](O)[C@@H](CO)O[C@@H]1O[C@@H](CC(O)=O)C
    (O)=O; O=C(O)CC(C(O)=O)OC1C(C(C(C(O1)CO)
    O)O)NC(C)=O; CC(=O)NC1C(C(C(OC1OC(CC(=O)
    O)C(=O)O)CO)O)O    		 (2S)-2-{[2-acetamido-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid;
    (2S)-2-{[2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid;
    (2S)-2-{[2-acetamido-2-deoxy-alpha-D-glucosyl]oxy}butanedioic acid;
    (2S)-2-{[2-acetamido-2-deoxy-D-glucosyl]oxy}butanedioic acid;
    (2S)-2-{[2-acetamido-2-deoxy-glucosyl]oxy}butanedioic acid
    21344
    GMU
    ZINC000058631783    		 0 C13 H24 N5 O9 P InChI=1S/C13H24N5O9P/c1-6
    -4-18(13(21)17-10(6)20)11
    -9(25-3-2-16-12(14)15)8(1
    9)7(27-11)5-26-28(22,23)2
    4/h4,7-9,11-12,16,19H,2-3
    ,5,14-15H2,1H3,(H,17,20,2
    1)(H2,22,23,24)/t7-,8-,9-
    ,11-/m1/s1;
    ZVINVJYRGPQIPJ-TURQNECASA-N    		 CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O
    )O)OCCNC(N)N; CC1=CN([CH]2O[CH](CO[P](O)
    (O)=O)[CH](O)[CH]2OCCNC(N)N)C(=O)NC1=O;
    CC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H
    ](O)[C@H]2OCCNC(N)N)C(=O)NC1=O; CC1=CN(C
    (=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C
    OP(=O)(O)O)O)OCCNC(N)N; O=C1NC(=O)N(C=C1
    C)C2OC(C(O)C2OCCNC(N)N)COP(=O)(O)O    		 2'-O-[(2-GUANIDINIUM)ETHYL]-5-METHYLURIDINE 5'-MONOPHOSPHATE
    21345
    GMV    		 2 C10 H17 N5 O12 P V InChI=1S/C10H14N5O8P.4H2O
    .V/c11-10-13-7-4(8(18)14-
    10)12-2-15(7)9-6(17)5(16)
    3(23-9)1-22-24(19,20)21;;
    ;;;/h2-3,5-6,9,16-17H,1H2
    ,(H2,19,20,21)(H3,11,13,1
    4,18);4*1H2;/q;;;;;+5/p-5
    /t3-,5-,6-,9-;;;;;/m1....
    ./s1;
    BCICKRMJBANRAL-LTPGDGGNSA-I    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P]
    (O)(=O)O[V](O)(O)(O)O)[C@@H](O)[C@H]3O;
    NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)
    (=O)O[V](O)(O)(O)O)[CH](O)[CH]3O; O=P(O[
    V](O)(O)(O)O)(O)OCC3OC(n2cnc1c2N=C(N)NC1
    =O)C(O)C3O; c1nc2c(n1C3C(C(C(O3)COP(=O)(
    O)O[V](O)(O)(O)O)O)O)N=C(NC2=O)N; c1nc2c
    (n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(
    O)O[V](O)(O)(O)O)O)O)N=C(NC2=O)N    		 GUANOSINE-5'-PHOSPHOVANADATE
    21346
    GMW
    CHEMBL4468226    		 1 C37 H37 F N6 O5 InChI=1S/C37H37FN6O5/c1-3
    7(2,3)23-14-22-20-40-44(3
    6(48)33(22)28(38)15-23)30
    -7-5-6-25-26(30)16-24(45)
    17-31-27(25)18-29(35(47)4
    2(31)4)41-32-9-8-21(19-39
    -32)34(46)43-10-12-49-13-
    11-43/h5-9,14-15,18-20,24
    ,45H,10-13,16-17H2,1-4H3,
    (H,39,41)/t24-/m0/s1;
    ACFBKRAWAGNCMP-DEOSSOPVSA-N    		 CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc
    4c3C[C@@H](CC5=C4C=C(C(=O)N5C)Nc6ccc(cn6
    )C(=O)N7CCOCC7)O; CC(C)(C)c1cc2c(c(c1)F)
    C(=O)N(N=C2)c3cccc4c3CC(CC5=C4C=C(C(=O)N
    5C)Nc6ccc(cn6)C(=O)N7CCOCC7)O; CN1C(=O)C
    (=CC2=C1C[C@@H](O)Cc3c(cccc23)N4N=Cc5cc(
    cc(F)c5C4=O)C(C)(C)C)Nc6ccc(cn6)C(=O)N7C
    COCC7; CN1C(=O)C(=CC2=C1C[CH](O)Cc3c(ccc
    c23)N4N=Cc5cc(cc(F)c5C4=O)C(C)(C)C)Nc6cc
    c(cn6)C(=O)N7CCOCC7    		 (9~{S})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-one
    21347
    GMX    		 0 C11 H16 N5 O8 P InChI=1S/C11H16N5O8P/c1-3
    (24-25(20,21)22)7-5(17)6(
    18)10(23-7)16-2-13-4-8(16
    )14-11(12)15-9(4)19/h2-3,
    5-7,10,17-18H,1H3,(H2,20,
    21,22)(H3,12,14,15,19)/t3
    -,5+,6-,7-,10-/m1/s1;
    QYBUIBIHUIWDID-KPCPHYELSA-N    		 C[CH](O[P](O)(O)=O)[CH]1O[CH]([CH](O)[CH
    ]1O)n2cnc3C(=O)N=C(N)Nc23; OP(OC(C1C(C(C
    (O1)n2c3c(nc2)C(N=C(N)N3)=O)O)O)C)(=O)O;
    CC(C1C(C(C(O1)n2cnc3c2NC(=NC3=O)N)O)O)O
    P(=O)(O)O; C[C@@H](O[P](O)(O)=O)[C@H]1O[
    C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)N=C(N)N
    c23; C[C@H]([C@@H]1[C@H]([C@H]([C@@H](O1
    )n2cnc3c2NC(=NC3=O)N)O)O)OP(=O)(O)O    		 2-amino-9-(6-deoxy-5-O-phosphono-beta-D-allofuranosyl)-3,9-dihydro-6H-purin-6-one
    21348
    GMY    		 0 C29 H40 N2 O9 InChI=1S/C29H40N2O9/c1-15
    -11-19-25(34)20(14-21(32)
    27(19)39-7)31-28(35)16(2)
    9-8-10-22(37-5)26(40-29(3
    0)36)18(4)13-17(3)24(33)2
    3(12-15)38-6/h8-10,13-15,
    17,22-24,26,33H,11-12H2,1
    -7H3,(H2,30,36)(H,31,35)/
    b10-8-,16-9+,18-13+/t15-,
    17-,22-,23-,24+,26-/m0/s1;
    QTQAWLPCGQOSGP-JNTUZXSDSA-N    		 CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)
    C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC; O
    =C1C(OC)=C2C(=O)C(=C1)NC(=O)C(=CC=CC(OC)
    C(OC(=O)N)C(=CC(C)C(O)C(OC)CC(C)C2)C)C;
    CO[C@H]1C[C@@H](C)CC2=C(OC)C(=O)C=C(NC(=
    O)\C(=C\C=C/[C@H](OC)[C@@H](OC(N)=O)/C(=
    C/[C@H](C)[C@H]1O)C)C)C2=O; CO[CH]1C[CH]
    (C)CC2=C(OC)C(=O)C=C(NC(=O)C(=CC=C[CH](O
    C)[CH](OC(N)=O)C(=C[CH](C)[CH]1O)C)C)C2=
    O; C[C@@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C
    @@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C
    (C1)C2=O)OC)/C)OC)OC(=O)N)\C)C)O)OC    		 GELDANAMYCIN
    21349
    GMZ
    ZINC000004099126    		 1 C7 H16 O13 P2 InChI=1S/C7H16O13P2/c8-2(
    1-18-21(12,13)14)6-4(10)3
    (9)5(11)7(19-6)20-22(15,1
    6)17/h2-11H,1H2,(H2,12,13
    ,14)(H2,15,16,17)/t2-,3+,
    4+,5+,6-,7+/m1/s1;
    LMTGTTLGDUACSJ-QTNLNCNHSA-N    		 C(C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O)OP(=
    O)(O)O; O[CH](CO[P](O)(O)=O)[CH]1O[CH](O
    [P](O)(O)=O)[CH](O)[CH](O)[CH]1O; O[C@H]
    (CO[P](O)(O)=O)[C@H]1O[C@@H](O[P](O)(O)=
    O)[C@@H](O)[C@@H](O)[C@@H]1O; O=P(O)(O)O
    CC(O)C1OC(OP(=O)(O)O)C(O)C(O)C1O; C([C@H
    ]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O
    P(=O)(O)O)O)O)O)O)OP(=O)(O)O    		 1,7-di-O-phosphono-D-glycero-beta-D-manno-heptopyranose;
    1,7-di-O-phosphono-D-glycero-beta-D-manno-heptose;
    1,7-di-O-phosphono-D-glycero-D-manno-heptose;
    1,7-di-O-phosphono-D-glycero-manno-heptose
    21350
    GN0
    CHEMBL4065858
    ZINC000584905559    		 4 C25 H23 Cl N2 O3 S2 InChI=1S/C25H23ClN2O3S2/c
    26-20-3-1-2-4-22(20)33-23
    -21(29)15-25(27-24(23)30,
    18-9-14-32-16-18)17-5-7-1
    9(8-6-17)28-10-12-31-13-1
    1-28/h1-9,14,16,29H,10-13
    ,15H2,(H,27,30)/t25-/m1/s
    1;
    SUFXXEIVBZJOAP-RUZDIDTESA-N    		 OC1=C(Sc2ccccc2Cl)C(=O)N[C](C1)(c3cscc3)
    c4ccc(cc4)N5CCOCC5; c1ccc(c(c1)SC2=C(CC(
    NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl;
    c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccc(cc3
    )N4CCOCC4)c5ccsc5)O)Cl; OC1=C(Sc2ccccc2C
    l)C(=O)N[C@@](C1)(c3cscc3)c4ccc(cc4)N5CC
    OCC5    		 (2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one;
    inhibitor GNE-140
    21351
    GN1
    CHEMBL1233078
    ZINC000004096361    		 22 C8 H16 N O9 P InChI=1S/C8H16NO9P/c1-3(1
    1)9-5-7(13)6(12)4(2-10)17
    -8(5)18-19(14,15)16/h4-8,
    10,12-13H,2H2,1H3,(H,9,11
    )(H2,14,15,16)/t4-,5-,6-,
    7-,8-/m1/s1;
    FZLJPEPAYPUMMR-FMDGEEDCSA-N    		 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO
    )O[C@@H]1O[P](O)(O)=O; O=P(OC1OC(C(O)C(O
    )C1NC(=O)C)CO)(O)O; CC(=O)N[CH]1[CH](O)[
    CH](O)[CH](CO)O[CH]1O[P](O)(O)=O; CC(=O)
    NC1C(C(C(OC1OP(=O)(O)O)CO)O)O; CC(=O)N[C
    @@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O
    )O)CO)O)O    		 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose;
    2-(ACETYLAMINO)-2-DEOXY-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE;
    N-ACETYL-D-GLUCOSAMINE-1-PHOSPHATE;
    N-acetyl-1-O-phosphono-alpha-D-glucosamine;
    2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucose;
    2-acetamido-2-deoxy-1-O-phosphono-D-glucose;
    2-acetamido-2-deoxy-1-O-phosphono-glucose
    21352
    GN2
    CHEMBL4589484
    ZINC000584905560    		 4 C25 H23 Cl N2 O3 S2 InChI=1S/C25H23ClN2O3S2/c
    26-20-3-1-2-4-22(20)33-23
    -21(29)15-25(27-24(23)30,
    18-9-14-32-16-18)17-5-7-1
    9(8-6-17)28-10-12-31-13-1
    1-28/h1-9,14,16,29H,10-13
    ,15H2,(H,27,30)/t25-/m0/s
    1;
    SUFXXEIVBZJOAP-VWLOTQADSA-N    		 OC1=C(Sc2ccccc2Cl)C(=O)N[C](C1)(c3cscc3)
    c4ccc(cc4)N5CCOCC5; c1ccc(c(c1)SC2=C(CC(
    NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl;
    c1ccc(c(c1)SC2=C(C[C@](NC2=O)(c3ccc(cc3)
    N4CCOCC4)c5ccsc5)O)Cl; OC1=C(Sc2ccccc2Cl
    )C(=O)N[C@](C1)(c3cscc3)c4ccc(cc4)N5CCOC
    C5    		 (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one
    21353
    GN3    		 1 C10 H18 N6 O16 P4 InChI=1S/C10H18N6O16P4/c1
    1-10-13-7-4(8(18)14-10)12
    -2-16(7)9-5(17)6(31-34(22
    ,23)15-33(19,20)21)3(30-9
    )1-29-36(27,28)32-35(24,2
    5)26/h2-3,5-6,9,17H,1H2,(
    H,27,28)(H2,24,25,26)(H3,
    11,13,14,18)(H4,15,19,20,
    21,22,23)/t3-,5-,6-,9-/m1
    /s1;
    XBDJLYDZMOIGRH-UUOKFMHZSA-N    		 c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O
    )OP(=O)(NP(=O)(O)O)O)O)N=C(NC2=O)N; NC1=
    Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(
    =O)O[P](O)(O)=O)[C@@H](O[P](O)(=O)N[P](O
    )(O)=O)[C@H]3O; NC1=Nc2n(cnc2C(=O)N1)[CH
    ]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O[
    P](O)(=O)N[P](O)(O)=O)[CH]3O; c1nc2c(n1[
    C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP
    (=O)(O)O)OP(=O)(NP(=O)(O)O)O)O)N=C(NC2=O
    )N    		 [[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid
    21354
    GN4
    ZINC000584623951    		 6 C8 H16 N O9 P InChI=1S/C8H16NO9P/c1-3(1
    1)9-5-6(12)7(18-19(14,15)
    16)4(2-10)17-8(5)13/h4-8,
    10,12-13H,2H2,1H3,(H,9,11
    )(H2,14,15,16)/t4-,5-,6-,
    7-,8-/m1/s1;
    DHZPCJWLUQMUPF-FMDGEEDCSA-N    		 CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[P](O)
    (O)=O)[CH]1O; O=C(C)NC1C(O)OC(C(C1O)OP(O
    )(O)=O)CO; CC(=O)N[C@@H]1[C@H]([C@@H]([C
    @H](O[C@H]1O)CO)OP(=O)(O)O)O; CC(=O)NC1C
    (C(C(OC1O)CO)OP(=O)(O)O)O; CC(=O)N[C@H]1
    [C@H](O)O[C@H](CO)[C@@H](O[P](O)(O)=O)[C
    @@H]1O    		 2-acetamido-2-deoxy-4-O-phosphono-beta-D-glucopyranose;
    2-(acetylamino)-2-deoxy-4-O-phosphono-beta-D-glucopyranose;
    2-acetamido-2-deoxy-4-O-phosphono-beta-D-glucose;
    2-acetamido-2-deoxy-4-O-phosphono-D-glucose;
    2-acetamido-2-deoxy-4-O-phosphono-glucose
    21355
    GN5
    ZINC000263620306    		 2 C17 H19 N3 O InChI=1S/C17H19N3O/c1-17(
    2,3)12-8-6-11(7-9-12)14-1
    9-15-13(16(21)20-14)5-4-1
    0-18-15/h4-10,14H,1-3H3,(
    H,18,19)(H,20,21)/t14-/m0
    /s1;
    CFBOGZARBYDHCN-AWEZNQCLSA-N    		 CC(C)(C)c1ccc(cc1)[CH]2NC(=O)c3cccnc3N2;
    CC(C)(C)c1ccc(cc1)C2Nc3c(cccn3)C(=O)N2;
    CC(C)(C)c1ccc(cc1)[C@H]2Nc3c(cccn3)C(=O
    )N2; CC(C)(C)c1ccc(cc1)[C@@H]2NC(=O)c3cc
    cnc3N2    		 2-(4-TERT-BUTYLPHENYL)-1H,2H,3H,4H-PYRIDO(2,3-D)PYRIMIDIN-4-ONE
    21356
    GN6
    CHEMBL4570428    		 1 C12 H8 Cl2 N4 InChI=1S/C12H8Cl2N4/c13-8
    -4-1-3-7(11(8)14)9-5-2-6-
    10-16-12(15)17-18(9)10/h1
    -6H,(H2,15,17);
    JFVBFJXXXHHBSP-UHFFFAOYSA-N    		 Nc1nn2c(cccc2c3cccc(Cl)c3Cl)n1; c1cc(c(c
    (c1)Cl)Cl)c2cccc3n2nc(n3)N; n12nc(nc1ccc
    c2c3cccc(c3Cl)Cl)N    		 5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine
    21357
    GN7
    ZINC000058632497    		 0 C10 H14 N5 O7 P InChI=1S/C10H14N5O7P/c11-
    10-13-8-7(9(17)14-10)15(3
    -12-8)6-1-4(16)5(22-6)2-2
    1-23(18,19)20/h3-6,16H,1-
    2H2,(H2,18,19,20)(H3,11,1
    3,14,17)/t4-,5+,6+/m0/s1;
    QJBOPENFRRNEQL-KVQBGUIXSA-N    		 NC1=Nc2ncn([CH]3C[CH](O)[CH](CO[P](O)(O)
    =O)O3)c2C(=O)N1; O=C3c1c(ncn1C2OC(C(O)C2
    )COP(=O)(O)O)N=C(N)N3; c1nc2c(n1[C@H]3C[
    C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)NC(=N2
    )N; NC1=Nc2ncn([C@H]3C[C@H](O)[C@@H](CO[
    P](O)(O)=O)O3)c2C(=O)N1; c1nc2c(n1C3CC(C
    (O3)COP(=O)(O)O)O)C(=O)NC(=N2)N    		 N7-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE
    21358
    GN8
    DB07838
    ZINC000016479722    		 6 C17 H12 N2 O4 S2 InChI=1S/C17H12N2O4S2/c20
    -15-12(7-4-8-13(15)19(22)
    23)9-14-16(21)18(17(24)25
    -14)10-11-5-2-1-3-6-11/h1
    -9,20H,10H2/b14-9-;
    ZTWBCEZQPRYIGY-ZROIWOOFSA-N    		 c1ccc(cc1)CN2C(=O)/C(=C/c3cccc(c3O)[N+](
    =O)[O-])/SC2=S; Oc1c(cccc1[N+]([O-])=O)C
    =C2SC(=S)N(Cc3ccccc3)C2=O; c1ccc(cc1)CN2
    C(=O)C(=Cc3cccc(c3O)[N+](=O)[O-])SC2=S;
    S=C1S/C(C(=O)N1Cc2ccccc2)=C\c3cccc([N+](
    [O-])=O)c3O; Oc1c(cccc1[N+]([O-])=O)/C=C
    /2SC(=S)N(Cc3ccccc3)C/2=O    		 (Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-2-THIOXOTHIAZOLIDIN-4-ONE
    21359
    GN9
    CHEMBL4519895    		 7 C31 H54 N4 O7 InChI=1S/C31H54N4O7/c1-12
    -20(6)28(34(9)10)31(40)42
    -25(16-19(4)5)30(39)33-23
    (15-18(2)3)29(38)32-21(7)
    13-14-26(36)35-22(8)24(41
    -11)17-27(35)37/h17-23,25
    ,28H,12-16H2,1-11H3,(H,32
    ,38)(H,33,39)/t20-,21-,22
    -,23-,25-,28-/m0/s1;
    KQLKGAFEYUEPPA-ISUPFBBGSA-N    		 CCC(C)C(C(=O)OC(CC(C)C)C(=O)NC(CC(C)C)C(
    =O)NC(C)CCC(=O)N1C(C(=CC1=O)OC)C)N(C)C;
    CC[C@H](C)[C@@H](C(=O)O[C@@H](CC(C)C)C(=
    O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CCC(=O)N
    1[C@H](C(=CC1=O)OC)C)N(C)C; CC[CH](C)[CH
    ](N(C)C)C(=O)O[CH](CC(C)C)C(=O)N[CH](CC(
    C)C)C(=O)N[CH](C)CCC(=O)N1[CH](C)C(=CC1=
    O)OC; C(C)C(C)C(C(OC(C(=O)NC(C(=O)NC(CCC
    (=O)N1C(=O)C=C(OC)C1C)C)CC(C)C)CC(C)C)=O
    )N(C)C; CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@
    H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@
    H](C)CCC(=O)N1[C@@H](C)C(=CC1=O)OC    		 gallinamide A, bound form;
    (2S)-1-{[(2S)-1-({(2S)-5-[(2S)-3-methoxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxopentan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]amino}-4-methyl-1-oxopentan-2-yl N,N-dimethyl-L-isoleucinate
    21360
    GNA    		 0 C12 H22 N4 O7 InChI=1S/C12H22N4O7/c1-4(
    18)15-8-5(16-12(13)14)2-7
    (11(21)22)23-10(8)9(20)6(
    19)3-17/h5-10,17,19-20H,2
    -3H2,1H3,(H,15,18)(H,21,2
    2)(H4,13,14,16)/t5-,6+,7+
    ,8+,9+,10+/m0/s1;
    DAAUVSVERFXBSX-IHICSVBISA-N    		 CC(=O)N[C@@H]1[C@H](C[C@@H](O[C@H]1[C@H]
    (O)[C@H](O)CO)C(O)=O)NC(N)=N; CC(=O)N[CH
    ]1[CH](C[CH](O[CH]1[CH](O)[CH](O)CO)C(O)
    =O)NC(N)=N; CC(=O)NC1C(CC(OC1C(C(CO)O)O)
    C(=O)O)NC(=N)N; O=C(O)C1OC(C(O)C(O)CO)C(
    NC(=O)C)C(NC(=[N@H])N)C1; CC(=O)N[C@@H]1
    [C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=
    O)O)NC(=N)N    		 2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-NEURAMINIC ACID
    21361
    GNB
    DB03130    		 9 C18 H24 N4 O10 S InChI=1S/C18H24N4O10S/c19
    -12(17(27)28)5-6-14(23)21
    -13(16(26)20-7-15(24)25)9
    -33-18(29)32-8-10-1-3-11(
    4-2-10)22(30)31/h1-4,12-1
    3,18,29H,5-9,19H2,(H,20,2
    6)(H,21,23)(H,24,25)(H,27
    ,28)/t12-,13-,18?/m0/s1;
    QYFGPQQSJQOGEO-TVJRNMROSA-N    		 c1cc(ccc1COC(O)SC[C@@H](C(=O)NCC(=O)O)NC
    (=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]; N[C@
    @H](CCC(=O)N[C@@H](CS[C@@H](O)OCc1ccc(cc
    1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O; N[C
    H](CCC(=O)N[CH](CS[CH](O)OCc1ccc(cc1)[N+
    ]([O-])=O)C(=O)NCC(O)=O)C(O)=O; O=C(O)C(
    N)CCC(=O)NC(C(=O)NCC(=O)O)CSC(OCc1ccc(cc
    1)[N+]([O-])=O)O; c1cc(ccc1COC(O)SCC(C(=
    O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)[N+](=O)[O
    -]    		 S-P-NITROBENZYLOXYCARBONYLGLUTATHIONE
    21362
    GNC
    ZINC000006068333    		 0 C6 H12 N2 O3 InChI=1S/C6H12N2O3/c1-8-4
    (6(10)11)2-3-5(7)9/h4,8H,
    2-3H2,1H3,(H2,7,9)(H,10,1
    1)/t4-/m0/s1;
    KSZFSNZOGAXEGH-BYPYZUCNSA-N    		 CN[C@@H](CCC(=O)N)C(=O)O; CNC(CCC(=O)N)C
    (=O)O; O=C(O)C(NC)CCC(=O)N; CN[CH](CCC(N
    )=O)C(O)=O; CN[C@@H](CCC(N)=O)C(O)=O    		 N~2~-methyl-L-glutamine
    21363
    GND    		 0 C6 H15 N4 O2 InChI=1S/C6H14N4O2/c7-4(5
    (11)12)2-1-3-10-6(8)9/h4H
    ,1-3,7H2,(H,11,12)(H4,8,9
    ,10)/p+1/t4-/m0/s1;
    ODKSFYDXXFIFQN-BYPYZUCNSA-O    		 [H]/N=C(/N)\NCCC[C@@H](C(=O)O)[NH3+]; [H
    ]N=C(N)NCCCC(C(=O)O)[NH3+]; O=C(O)C(CCCN
    C(=[N@H])N)[NH3+]; NC(=N)NCCC[CH]([NH3+]
    )C(O)=O; NC(=N)NCCC[C@H]([NH3+])C(O)=O    		 2-AMINO-5-GUANIDINO-PENTANOIC ACID;
    L-argininium(2+);
    L-argininediium
    21364
    GNE
    ZINC000103543413    		 0 C12 H14 N5 O7 P InChI=1S/C12H14N5O7P/c18-
    6-3-8(24-7(6)4-23-25(20,2
    1)22)17-5-14-9-10(17)15-1
    2-13-1-2-16(12)11(9)19/h1
    -2,5-8,18H,3-4H2,(H,13,15
    )(H2,20,21,22)/t6-,7+,8+/
    m0/s1;
    NCYIUPASQWXGPJ-XLPZGREQSA-N    		 c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C4NC=
    CN4C2=O; O=C2c3ncn(c3N=C1NC=CN12)C4OC(C(
    O)C4)COP(=O)(O)O; O[C@H]1C[C@@H](O[C@@H]
    1CO[P](O)(O)=O)n2cnc3C(=O)N4C=CNC4=Nc23;
    c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)
    (O)O)O)N=C4NC=CN4C2=O; O[CH]1C[CH](O[CH]
    1CO[P](O)(O)=O)n2cnc3C(=O)N4C=CNC4=Nc23    		 1,N2-ETHENOGUANINE
    21365
    GNF
    CHEMBL204785
    DB07839
    ZINC000006718425    		 2 C25 H32 N4 O3 InChI=1S/C25H32N4O3/c1-31
    -20-13-11-19(12-14-20)26-
    15-16-27-24(30)22(17-18-7
    -3-2-4-8-18)29-25-28-21-9
    -5-6-10-23(21)32-25/h5-6,
    9-14,18,22,26H,2-4,7-8,15
    -17H2,1H3,(H,27,30)(H,28,
    29)/t22-/m0/s1;
    VFNWTXUFNNOQHD-QFIPXVFZSA-N    		 COc1ccc(cc1)NCCNC(=O)[C@H](CC2CCCCC2)Nc3
    nc4ccccc4o3; COc1ccc(cc1)NCCNC(=O)C(CC2C
    CCCC2)Nc3nc4ccccc4o3; COc1ccc(NCCNC(=O)[
    CH](CC2CCCCC2)Nc3oc4ccccc4n3)cc1; COc1cc
    c(NCCNC(=O)[C@H](CC2CCCCC2)Nc3oc4ccccc4n
    3)cc1; O=C(NCCNc1ccc(OC)cc1)C(Nc2nc3cccc
    c3o2)CC4CCCCC4    		 N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE
    21366
    GNG
    CHEMBL68908
    ZINC000000404256    		 8 C10 H13 N5 O4 InChI=1S/C10H13N5O4/c11-1
    0-13-8-7(9(18)14-10)12-3-
    15(8)6-1-4(17)5(2-16)19-6
    /h3-6,16-17H,1-2H2,(H3,11
    ,13,14,18)/t4-,5+,6+/m0/s
    1;
    YKBGVTZYEHREMT-KVQBGUIXSA-N    		 c1nc2c(n1C3CC(C(O3)CO)O)NC(=NC2=O)N; O=C
    3N=C(N)Nc1c3ncn1C2OC(C(O)C2)CO; NC1=NC(=
    O)c2ncn([CH]3C[CH](O)[CH](CO)O3)c2N1; c1
    nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)NC(=N
    C2=O)N; NC1=NC(=O)c2ncn([C@H]3C[C@H](O)[
    C@@H](CO)O3)c2N1    		 2'-DEOXY-GUANOSINE
    21367
    GNH
    DB02623    		 13 C10 H16 N6 O10 P2 InChI=1S/C10H16N6O10P2/c1
    1-10-14-7-4(8(19)15-10)13
    -2-16(7)9-6(18)5(17)3(25-
    9)1-24-28(22,23)26-27(12,
    20)21/h2-3,5-6,9,17-18H,1
    H2,(H,22,23)(H3,12,20,21)
    (H3,11,14,15,19)/t3-,5-,6
    -,9-/m1/s1;
    ZGPDMUBRWRJAQQ-UUOKFMHZSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)
    (=O)O[P](N)(O)=O)[CH](O)[CH]3O; O=P(O)(O
    P(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C
    3O)N; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H]
    (CO[P@@](O)(=O)O[P@@](N)(O)=O)[C@@H](O)[
    C@H]3O; c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@
    H](O3)CO[P@](=O)(O)O[P@@](=O)(N)O)O)O)N=
    C(NC2=O)N; c1nc2c(n1C3C(C(C(O3)COP(=O)(O
    )OP(=O)(N)O)O)O)N=C(NC2=O)N    		 AMINOPHOSPHONIC ACID-GUANYLATE ESTER
    21368
    GNI
    CHEMBL374078    		 2 C26 H20 Cl2 N2 O5 InChI=1S/C26H20Cl2N2O5/c2
    7-19-9-10-21(20(28)15-19)
    34-12-11-29-26(33)23-24(1
    8-8-4-5-16(13-18)14-22(31
    )32)30-35-25(23)17-6-2-1-
    3-7-17/h1-10,13,15H,11-12
    ,14H2,(H,29,33)(H,31,32);
    HINPKGVWVQYESB-UHFFFAOYSA-N    		 Clc4ccc(OCCNC(=O)c2c(onc2c1cc(ccc1)CC(=O
    )O)c3ccccc3)c(Cl)c4; c1ccc(cc1)c2c(c(no2
    )c3cccc(c3)CC(=O)O)C(=O)NCCOc4ccc(cc4Cl)
    Cl; OC(=O)Cc1cccc(c1)c2noc(c3ccccc3)c2C(
    =O)NCCOc4ccc(Cl)cc4Cl    		 (3-{4-[2-(2,4-DICHLORO-PHENOXY)-ETHYLCARBAMOYL]-5-PHENYL-ISOXAZOL-3-YL}-PHENYL)-ACETIC ACID
    21369
    GNJ    		 2 C10 H7 N O6 S InChI=1S/C10H7NO6S/c12-9-
    5-2-1-3-7(18(15,16)17)8(5
    )11-4-6(9)10(13)14/h1-4H,
    (H,11,12)(H,13,14)(H,15,1
    6,17);
    FKTVHRZETGCILU-UHFFFAOYSA-N    		 c1cc2c(c(c1)S(=O)(=O)O)ncc(c2O)C(=O)O; O
    C(=O)c1cnc2c(cccc2[S](O)(=O)=O)c1O; c1c(
    c2ncc(c(c2cc1)O)C(=O)O)S(O)(=O)=O    		 4-hydroxy-8-sulfoquinoline-3-carboxylic acid
    21370
    GNK    		 1 C15 H18 Cl N O InChI=1S/C15H18ClNO/c16-1
    2-3-1-11(2-4-12)7-8-17-13
    -5-6-14(17)10-15(18)9-13/
    h1-4,13-14H,5-10H2/t13-,1
    4+;
    UHYXSJKYMROJDA-OKILXGFUSA-N    		 Clc1ccc(CCN2[CH]3CC[CH]2CC(=O)C3)cc1; Cl
    c1ccc(CCN2[C@H]3CC[C@@H]2CC(=O)C3)cc1; c
    1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)Cl;
    c1cc(ccc1CCN2C3CCC2CC(=O)C3)Cl    		 (1~{S},5~{R})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one
    21371
    GNL
    CHEMBL403756
    ZINC000012503894    		 7 C8 H13 N O4 S InChI=1S/C8H13NO4S/c1-3-9
    -5-7(12)6(11)4(2-10)13-8(
    5)14-3/h4-8,10-12H,2H2,1H
    3/t4-,5-,6+,7-,8-/m1/s1;
    DRHXTSWSUAJOJZ-JAJWTYFOSA-N    		 CC1=N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1
    )CO)O)O; CC1=N[C@@H]2[C@@H](O)[C@@H](O)[
    C@@H](CO)O[C@@H]2S1; CC1=NC2C(C(C(OC2S1)
    CO)O)O; N1=C(SC2OC(C(O)C(O)C12)CO)C; CC1
    =N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1    		 (3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
    21372
    GNM
    CHEMBL426699
    ZINC000000151634    		 2 C10 H6 Br N O3 InChI=1S/C10H6BrNO3/c11-7
    -3-1-2-5-8(7)12-4-6(9(5)1
    3)10(14)15/h1-4H,(H,12,13
    )(H,14,15);
    NKUGXZLINWIUOR-UHFFFAOYSA-N    		 c1cc2c(c(c1)Br)NC=C(C2=O)C(=O)O; OC(=O)C
    1=CNc2c(Br)cccc2C1=O; c2c(c1c(C(C(C(O)=O
    )=CN1)=O)cc2)Br    		 8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
    21373
    GNO
    CHEMBL2107783
    DB12623
    ZINC000072266311    		 1 C24 H22 N4 O5 S InChI=1S/C24H22N4O5S/c29-
    24(30)18-33-22-5-1-4-20(1
    4-22)17-27(34(31,32)23-6-
    2-11-25-15-23)16-19-7-9-2
    1(10-8-19)28-13-3-12-26-2
    8/h1-15H,16-18H2,(H,29,30
    );
    MFFBXYNKZHTCEY-UHFFFAOYSA-N    		 OC(=O)COc1cccc(CN(Cc2ccc(cc2)n3cccn3)[S]
    (=O)(=O)c4cccnc4)c1; c1cc(cc(c1)OCC(=O)O
    )CN(Cc2ccc(cc2)n3cccn3)S(=O)(=O)c4cccnc4    		 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid
    21374
    GNP
    CHEMBL1233085
    DB02082
    ZINC000037868676    		 1213 C10 H17 N6 O13 P3 InChI=1S/C10H17N6O13P3/c1
    1-10-13-7-4(8(19)14-10)12
    -2-16(7)9-6(18)5(17)3(28-
    9)1-27-32(25,26)29-31(23,
    24)15-30(20,21)22/h2-3,5-
    6,9,17-18H,1H2,(H,25,26)(
    H3,11,13,14,19)(H4,15,20,
    21,22,23,24)/t3-,5-,6-,9-
    /m1/s1;
    UQABYHGXWYXDTK-UUOKFMHZSA-N    		 O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1
    c2N=C(N)NC1=O)C(O)C3O; c1nc2c(n1[C@H]3[C
    @@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@]
    (=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N; c1nc2
    c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O
    )O)O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)
    N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)
    (=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O; NC1=N
    c2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O
    [P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O    		 PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
    21375
    GNQ
    CHEMBL212604
    ZINC000014972012    		 4 C25 H31 F3 N4 O6 S InChI=1S/C25H31F3N4O6S/c1
    -18(15-29-20-7-9-21(10-8-
    20)38-25(26,27)28)30-23(3
    3)22(31-24(34)32-11-13-37
    -14-12-32)17-39(35,36)16-
    19-5-3-2-4-6-19/h2-10,18,
    22,29H,11-17H2,1H3,(H,30,
    33)(H,31,34)/t18-,22-/m0/
    s1;
    LIOLGHUQUQDMDF-AVRDEDQJSA-N    		 C[CH](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[CH](C
    [S](=O)(=O)Cc2ccccc2)NC(=O)N3CCOCC3; O=C
    (NC(C(=O)NC(C)CNc1ccc(OC(F)(F)F)cc1)CS(=
    O)(=O)Cc2ccccc2)N3CCOCC3; C[C@@H](CNc1cc
    c(cc1)OC(F)(F)F)NC(=O)[C@H](CS(=O)(=O)Cc
    2ccccc2)NC(=O)N3CCOCC3; CC(CNc1ccc(cc1)O
    C(F)(F)F)NC(=O)C(CS(=O)(=O)Cc2ccccc2)NC(
    =O)N3CCOCC3; C[C@@H](CNc1ccc(OC(F)(F)F)c
    c1)NC(=O)[C@H](C[S](=O)(=O)Cc2ccccc2)NC(
    =O)N3CCOCC3    		 N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE
    21376
    GNR
    DB02036
    ZINC000000126407    		 2 C10 H10 N2 O3 S InChI=1S/C10H10N2O3S/c13-
    9(12-15)5-8-10(14)11-6-3-
    1-2-4-7(6)16-8/h1-4,8,15H
    ,5H2,(H,11,14)(H,12,13)/t
    8-/m1/s1;
    UKDWCJNGBPZOBU-MRVPVSSYSA-N    		 ONC(=O)C[C@H]1Sc2ccccc2NC1=O; c1ccc2c(c1
    )NC(=O)C(S2)CC(=O)NO; c1ccc2c(c1)NC(=O)[
    C@H](S2)CC(=O)NO; ONC(=O)C[CH]1Sc2ccccc2
    NC1=O; O=C1Nc2c(SC1CC(=O)NO)cccc2    		 2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE
    21377
    GNS
    ZINC000005830072    		 49 C6 H13 N O8 S InChI=1S/C6H13NO8S/c8-1-2
    -4(9)5(10)3(6(11)15-2)7-1
    6(12,13)14/h2-11H,1H2,(H,
    12,13,14)/t2-,3-,4-,5-,6+
    /m1/s1;
    PRDZVHCOEWJPOB-UKFBFLRUSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N
    S(=O)(=O)O)O)O)O; O=S(=O)(O)NC1C(O)C(O)C
    (OC1O)CO; OC[C@H]1O[C@H](O)[C@H](N[S](O)
    (=O)=O)[C@@H](O)[C@@H]1O; C(C1C(C(C(C(O1
    )O)NS(=O)(=O)O)O)O)O; OC[CH]1O[CH](O)[CH
    ](N[S](O)(=O)=O)[CH](O)[CH]1O    		 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose;
    N-SULFO-ALPHA-D-GLUCOSAMINE;
    2-deoxy-2-(sulfoamino)-alpha-D-glucose;
    2-deoxy-2-(sulfoamino)-D-glucose;
    2-deoxy-2-(sulfoamino)-glucose
    21378
    GNT
    CHEMBL659
    DB00674
    ZINC000000491073    		 11 C17 H21 N O3 InChI=1S/C17H21NO3/c1-18-
    8-7-17-6-5-12(19)9-14(17)
    21-16-13(20-2)4-3-11(10-1
    8)15(16)17/h3-6,12,14,19H
    ,7-10H2,1-2H3/t12-,14-,17
    -/m0/s1;
    ASUTZQLVASHGKV-JDFRZJQESA-N    		 COc1ccc2CN(C)CC[C]34C=C[CH](O)C[CH]3Oc1c
    24; C[N@@]1CC[C@@]23C=C[C@@H](C[C@@H]2Oc
    4c3c(ccc4OC)C1)O; CN1CCC23C=CC(CC2Oc4c3c
    (ccc4OC)C1)O; COc1ccc2CN(C)CC[C@@]34C=C[
    C@H](O)C[C@@H]3Oc1c24; OC2C=CC41c3c(ccc(
    OC)c3OC1C2)CN(CC4)C    		 (-)-GALANTHAMINE
    21379
    GNU
    ZINC000014694365    		 6 C20 H26 O6 InChI=1S/C20H26O6/c1-25-1
    9-9-13(3-5-17(19)23)7-15(
    11-21)16(12-22)8-14-4-6-1
    8(24)20(10-14)26-2/h3-6,9
    -10,15-16,21-24H,7-8,11-1
    2H2,1-2H3/t15-,16-/m1/s1;
    PUETUDUXMCLALY-HZPDHXFCSA-N    		 COc1cc(C[CH](CO)[CH](CO)Cc2ccc(O)c(OC)c2
    )ccc1O; COc1cc(ccc1O)CC(CO)C(Cc2ccc(c(c2
    )OC)O)CO; COc1cc(C[C@H](CO)[C@@H](CO)Cc2
    ccc(O)c(OC)c2)ccc1O; COc1cc(ccc1O)C[C@H]
    (CO)[C@H](Cc2ccc(c(c2)OC)O)CO    		 (2S,3S)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol;
    (+)-secoisolariciresinol
    21380
    GNV
    CHEMBL386243
    ZINC000000117354    		 2 C11 H7 N O5 InChI=1S/C11H7NO5/c13-9-5
    -2-1-3-6(10(14)15)8(5)12-
    4-7(9)11(16)17/h1-4H,(H,1
    2,13)(H,14,15)(H,16,17);
    YYLVBIBWUBXXRA-UHFFFAOYSA-N    		 c1cc2c(c(c1)C(=O)O)ncc(c2O)C(=O)O; OC(=O
    )c1cccc2c(O)c(cnc12)C(O)=O; c2cc(c1c(c(c
    (C(O)=O)cn1)O)c2)C(O)=O    		 4-hydroxyquinoline-3,8-dicarboxylic acid
    21381
    GNW
    CHEMBL4470374
    ZINC000019230053    		 2 C11 H15 Cl N2 InChI=1S/C11H15ClN2/c12-1
    1-3-1-2-10(8-11)9-14-6-4-
    13-5-7-14/h1-3,8,13H,4-7,
    9H2;
    JTEQMTYOCBFLNH-UHFFFAOYSA-N    		 Clc1cccc(CN2CCNCC2)c1; c1cc(cc(c1)Cl)CN2
    CCNCC2    		 1-[(3-chlorophenyl)methyl]piperazine
    21382
    GNX    		 2 C6 H13 N O11 S2 InChI=1S/C6H13NO11S2/c8-1
    -2-4(9)5(18-20(14,15)16)3
    (6(10)17-2)7-19(11,12)13/
    h2-10H,1H2,(H,11,12,13)(H
    ,14,15,16)/t2-,3-,4-,5-,6
    +/m1/s1;
    AJBMJMMLWNUEAC-UKFBFLRUSA-N    		 O=S(=O)(O)OC1C(O)C(OC(O)C1NS(=O)(=O)O)CO
    ; C(C1C(C(C(C(O1)O)NS(=O)(=O)O)OS(=O)(=O
    )O)O)O; C([C@@H]1[C@H]([C@@H]([C@H]([C@H
    ](O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)O; OC[C
    H]1O[CH](O)[CH](N[S](O)(=O)=O)[CH](O[S](
    O)(=O)=O)[CH]1O; OC[C@H]1O[C@H](O)[C@H](
    N[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@@H
    ]1O    		 2-deoxy-3-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose;
    2-deoxy-3-O-sulfo-2-(sulfoamino)-alpha-D-glucose;
    2-deoxy-3-O-sulfo-2-(sulfoamino)-D-glucose;
    2-deoxy-3-O-sulfo-2-(sulfoamino)-glucose
    21383
    GNY
    CHEMBL217429
    ZINC000000151629    		 2 C13 H13 N O3 InChI=1S/C13H13NO3/c1-7(2
    )8-4-3-5-9-11(8)14-6-10(1
    2(9)15)13(16)17/h3-7H,1-2
    H3,(H,14,15)(H,16,17);
    KGDOGYITTVCUJA-UHFFFAOYSA-N    		 CC(C)c1cccc2c(O)c(cnc12)C(O)=O; c2c(c(c1
    c(c(C(C)C)ccc1)n2)O)C(O)=O; CC(C)c1cccc2
    c1ncc(c2O)C(=O)O    		 4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid
    21384
    GNZ    		 1 C16 H18 F3 N O InChI=1S/C16H18F3NO/c17-1
    6(18,19)12-3-1-11(2-4-12)
    7-8-20-13-5-6-14(20)10-15
    (21)9-13/h1-4,13-14H,5-10
    H2/t13-,14+;
    AOEXBMYHDDUFNM-OKILXGFUSA-N    		 c1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)C(F
    )(F)F; FC(F)(F)c1ccc(CCN2[C@H]3CC[C@@H]2
    CC(=O)C3)cc1; FC(F)(F)c1ccc(CCN2[CH]3CC[
    CH]2CC(=O)C3)cc1; c1cc(ccc1CCN2C3CCC2CC(
    =O)C3)C(F)(F)F    		 (1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one
    21385
    GO0
    ZINC000058633010    		 2 C11 H7 Cl2 N O4 InChI=1S/C11H7Cl2NO4/c12-
    5-1-2-6(13)10-8(5)4(3-7(1
    5)16)9(14-10)11(17)18/h1-
    2,14H,3H2,(H,15,16)(H,17,
    18);
    GQXFZEWSJBOLCT-UHFFFAOYSA-N    		 c1cc(c2c(c1Cl)c(c([nH]2)C(=O)O)CC(=O)O)C
    l; OC(=O)Cc1c([nH]c2c(Cl)ccc(Cl)c12)C(O)
    =O; O=C(O)Cc2c1c(c(Cl)ccc1Cl)nc2C(=O)O    		 3-(carboxymethyl)-4,7-dichloro-1H-indole-2-carboxylic acid
    21386
    GO1
    ZINC000058626902    		 3 C11 H7 Cl2 N O4 InChI=1S/C11H7Cl2NO4/c12-
    4-1-5-6(3-8(15)16)10(11(1
    7)18)14-9(5)7(13)2-4/h1-2
    ,14H,3H2,(H,15,16)(H,17,1
    8);
    UDTYSEWCICAFSB-UHFFFAOYSA-N    		 O=C(O)Cc2c1cc(Cl)cc(Cl)c1nc2C(=O)O; c1c(
    cc(c2c1c(c([nH]2)C(=O)O)CC(=O)O)Cl)Cl; O
    C(=O)Cc1c([nH]c2c(Cl)cc(Cl)cc12)C(O)=O    		 3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid
    21387
    GO2
    CHEMBL4573600
    ZINC000019595252    		 2 C8 H8 N4 S InChI=1S/C8H8N4S/c9-7(10)
    12-8-11-5-3-1-2-4-6(5)13-
    8/h1-4H,(H4,9,10,11,12);
    QMHWARSFUCGBJK-UHFFFAOYSA-N    		 NC(=N)Nc1sc2ccccc2n1; c1ccc2c(c1)nc(s2)N
    C(=N)N; [H]/N=C(/N)\Nc1nc2ccccc2s1    		 1-(1,3-benzothiazol-2-yl)guanidine
    21388
    GO3
    CHEMBL51483
    DB13044
    ZINC000003775575    		 4 C30 H30 O8 InChI=1S/C30H30O8/c1-11(2
    )19-15-7-13(5)21(27(35)23
    (15)17(9-31)25(33)29(19)3
    7)22-14(6)8-16-20(12(3)4)
    30(38)26(34)18(10-32)24(1
    6)28(22)36/h7-12,33-38H,1
    -6H3;
    QBKSWRVVCFFDOT-UHFFFAOYSA-N    		 Cc1cc2c(c(c(c(c2C(C)C)O)O)C=O)c(c1c3c(cc
    4c(c3O)c(c(c(c4C(C)C)O)O)C=O)C)O; CC(C)c
    1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc
    4c(C(C)C)c(O)c(O)c(C=O)c4c3O    		 Gossypol
    21389
    GO4    		 2 C28 H25 F N6 O2 InChI=1S/C28H25FN6O2/c1-1
    6(18-4-3-5-21(29)12-18)30
    -27(37)23-15-34(2)24-9-8-
    19(13-22(23)24)20-10-11-3
    5-25(14-20)31-28(33-35)32
    -26(36)17-6-7-17/h3-5,8-1
    7H,6-7H2,1-2H3,(H,30,37)(
    H,32,33,36)/t16-/m0/s1;
    MMHXIUIFLQILFX-INIZCTEOSA-N    		 CC(c1cccc(c1)F)NC(=O)c2cn(c3c2cc(cc3)c4c
    cn5c(c4)nc(n5)NC(=O)C6CC6)C; C[C@@H](c1c
    ccc(c1)F)NC(=O)c2cn(c3c2cc(cc3)c4ccn5c(c
    4)nc(n5)NC(=O)C6CC6)C; C[C@H](NC(=O)c1cn
    (C)c2ccc(cc12)c3ccn4nc(NC(=O)C5CC5)nc4c3
    )c6cccc(F)c6; C[CH](NC(=O)c1cn(C)c2ccc(c
    c12)c3ccn4nc(NC(=O)C5CC5)nc4c3)c6cccc(F)
    c6    		 5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide
    21390
    GO5    		 1 C16 H20 Cl N O InChI=1S/C16H20ClNO/c17-1
    3-6-4-12(5-7-13)8-9-18-14
    -2-1-3-15(18)11-16(19)10-
    14/h4-7,14-15H,1-3,8-11H2
    /t14-,15+;
    BILOMABRWULRBP-GASCZTMLSA-N    		 Clc1ccc(CCN2[CH]3CCC[CH]2CC(=O)C3)cc1; c
    1cc(ccc1CCN2[C@@H]3CCC[C@H]2CC(=O)C3)Cl;
    c1cc(ccc1CCN2C3CCCC2CC(=O)C3)Cl; Clc1cc
    c(CCN2[C@@H]3CCC[C@H]2CC(=O)C3)cc1    		 (1~{R},5~{S})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
    21391
    GO6
    CHEMBL368347
    DB12179
    ZINC000002020114    		 10 C20 H26 O6 InChI=1S/C20H26O6/c1-25-1
    9-9-13(3-5-17(19)23)7-15(
    11-21)16(12-22)8-14-4-6-1
    8(24)20(10-14)26-2/h3-6,9
    -10,15-16,21-24H,7-8,11-1
    2H2,1-2H3/t15-,16-/m0/s1;
    PUETUDUXMCLALY-HOTGVXAUSA-N    		 COc1cc(C[CH](CO)[CH](CO)Cc2ccc(O)c(OC)c2
    )ccc1O; COc1cc(ccc1O)CC(CO)C(Cc2ccc(c(c2
    )OC)O)CO; COc1cc(ccc1O)C[C@@H](CO)[C@@H]
    (Cc2ccc(c(c2)OC)O)CO; COc1cc(C[C@@H](CO)
    [C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O    		 (2R,3R)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol;
    (-)-secoisolariciresinol
    21392
    GO7
    CHEMBL4203759
    ZINC000526061579    		 1 C25 H28 F4 N2 O6 InChI=1S/C25H28F4N2O6/c1-
    24(2,34)14-35-17-7-8-18(2
    3(30)33)21(12-17)36-20-9-
    10-31(13-19(20)26)22(32)1
    1-15-3-5-16(6-4-15)37-25(
    27,28)29/h3-8,12,19-20,34
    H,9-11,13-14H2,1-2H3,(H2,
    30,33)/t19-,20+/m1/s1;
    AUTGNDRENPBZKA-UXHICEINSA-N    		 CC(C)(COc1ccc(c(c1)O[C@H]2CCN(C[C@H]2F)C
    (=O)Cc3ccc(cc3)OC(F)(F)F)C(=O)N)O; CC(C)
    (O)COc1ccc(C(N)=O)c(O[C@H]2CCN(C[C@H]2F)
    C(=O)Cc3ccc(OC(F)(F)F)cc3)c1; CC(C)(COc1
    ccc(c(c1)OC2CCN(CC2F)C(=O)Cc3ccc(cc3)OC(
    F)(F)F)C(=O)N)O; CC(C)(O)COc1ccc(C(N)=O)
    c(O[CH]2CCN(C[CH]2F)C(=O)Cc3ccc(OC(F)(F)
    F)cc3)c1; c1c(C(N)=O)c(cc(c1)OCC(C)(C)O)
    OC3CCN(C(=O)Cc2ccc(cc2)OC(F)(F)F)CC3F    		 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-4-(2-hydroxy-2-methylpropoxy)benzamide
    21393
    GO8
    CHEMBL2144109
    ZINC000000186096    		 2 C8 H11 N5 S InChI=1S/C8H11N5S/c1-4(2)
    14-8-12-5-6(9)10-3-11-7(5
    )13-8/h3-4H,1-2H3,(H3,9,1
    0,11,12,13);
    BIJOQOVJTJOJCF-UHFFFAOYSA-N    		 CC(C)Sc1[nH]c2c(ncnc2n1)N; CC(C)Sc1[nH]c
    2c(N)ncnc2n1    		 8-propan-2-ylsulfanyl-7~{H}-purin-6-amine
    21394
    GO9    		 1 C13 H28 O8 InChI=1S/C13H28O8/c14-1-4
    -18-7-8-21-12-13(9-17,10-
    19-5-2-15)11-20-6-3-16/h1
    4-17H,1-12H2;
    CLVWRDZKTFFQRY-UHFFFAOYSA-N    		 C(COCCOCC(CO)(COCCO)COCCO)O; OCCOCCOCC(C
    O)(COCCO)COCCO    		 3-(2-hydroxyethyloxy)-2-[2-(2-hydroxyethyloxy)ethoxymethyl]-2-(2-hydroxyethyloxymethyl)propan-1-ol
    21395
    GOA
    CHEMBL252557
    DB03085
    ZINC000004658557    		 102 C2 H4 O3 InChI=1S/C2H4O3/c3-1-2(4)
    5/h3H,1H2,(H,4,5);
    AEMRFAOFKBGASW-UHFFFAOYSA-N    		 O=C(O)CO; C(C(=O)O)O; OCC(O)=O GLYCOLIC ACID;
    HYDROXYACETIC ACID;
    HYDROXYETHANOIC ACID
    21396
    GOB
    CHEMBL2207601
    ZINC000089469613    		 2 C24 H25 N3 O7 S InChI=1S/C24H25N3O7S/c1-3
    3-20-15-21(34-2)22(14-19(
    20)26-23(28)12-13-24(29)3
    0)35(31,32)27(17-6-4-3-5-
    7-17)18-10-8-16(25)9-11-1
    8/h3-11,14-15H,12-13,25H2
    ,1-2H3,(H,26,28)(H,29,30);
    LOWPPNMRMWEKTJ-UHFFFAOYSA-N    		 COc1cc(OC)c(cc1NC(=O)CCC(O)=O)[S](=O)(=O
    )N(c2ccccc2)c3ccc(N)cc3; O=S(=O)(N(c1ccc
    cc1)c2ccc(N)cc2)c3cc(c(OC)cc3OC)NC(=O)CC
    C(=O)O; COc1cc(c(cc1NC(=O)CCC(=O)O)S(=O)
    (=O)N(c2ccccc2)c3ccc(cc3)N)OC    		 4-({5-[(4-aminophenyl)(phenyl)sulfamoyl]-2,4-dimethoxyphenyl}amino)-4-oxobutanoic acid
    21397
    GOC
    ZINC000009404502    		 2 C27 H23 N3 O2 S InChI=1S/C27H23N3O2S/c1-1
    7-8-13-24(18(2)14-17)30-2
    6(22-15-33-16-23(22)29-30
    )28-27(32)21-11-9-20(10-1
    2-21)25(31)19-6-4-3-5-7-1
    9/h3-14H,15-16H2,1-2H3,(H
    ,28,32);
    XTWGDUKLCYCIKR-UHFFFAOYSA-N    		 Cc1ccc(n2nc3CSCc3c2NC(=O)c4ccc(cc4)C(=O)
    c5ccccc5)c(C)c1; Cc1ccc(c(c1)C)n2c(c3c(n
    2)CSC3)NC(=O)c4ccc(cc4)C(=O)c5ccccc5    		 N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide
    21398
    GOD
    CHEMBL4207042
    ZINC000585091590    		 1 C20 H19 F5 N4 O4 InChI=1S/C20H19F5N4O4/c1-
    27-18(31)12-7-14(17(26)28
    -8-12)32-15-9-29(10-19(15
    ,21)22)16(30)6-11-2-4-13(
    5-3-11)33-20(23,24)25/h2-
    5,7-8,15H,6,9-10H2,1H3,(H
    2,26,28)(H,27,31)/t15-/m0
    /s1;
    FTAFQADCGCSJAH-HNNXBMFYSA-N    		 CNC(=O)c1cc(c(nc1)N)OC2CN(CC2(F)F)C(=O)C
    c3ccc(cc3)OC(F)(F)F; CNC(=O)c1cnc(N)c(O[
    C@H]2CN(CC2(F)F)C(=O)Cc3ccc(OC(F)(F)F)cc
    3)c1; c3c(cc(OC2C(F)(CN(C(=O)Cc1ccc(cc1)
    OC(F)(F)F)C2)F)c(N)n3)C(=O)NC; CNC(=O)c1
    cc(c(nc1)N)O[C@H]2CN(CC2(F)F)C(=O)Cc3ccc
    (cc3)OC(F)(F)F; CNC(=O)c1cnc(N)c(O[CH]2C
    N(CC2(F)F)C(=O)Cc3ccc(OC(F)(F)F)cc3)c1    		 6-amino-5-{[(3S)-4,4-difluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}pyrrolidin-3-yl]oxy}-N-methylpyridine-3-carboxamide
    21399
    GOE
    CHEMBL4440058
    ZINC000006715532    		 2 C10 H15 N3 O InChI=1S/C10H15N3O/c1-3-7
    -11-10(14)13-9-6-4-5-8(2)
    12-9/h4-6H,3,7H2,1-2H3,(H
    2,11,12,13,14);
    AVNDEIYLNKRJSM-UHFFFAOYSA-N    		 CCCNC(=O)Nc1cccc(n1)C; CCCNC(=O)Nc1cccc(
    C)n1    		 1-(6-methylpyridin-2-yl)-3-propyl-urea
    21400
    GOF
    ZINC000020662364    		 1 C26 H21 N3 O5 S InChI=1S/C26H21N3O5S/c1-3
    4-21-13-11-20(12-14-21)29
    -25(22-15-35(32,33)16-23(
    22)28-29)27-26(31)19-9-7-
    18(8-10-19)24(30)17-5-3-2
    -4-6-17/h2-14H,15-16H2,1H
    3,(H,27,31);
    FETYBXQBGAFWOV-UHFFFAOYSA-N    		 COc1ccc(cc1)n2c(c3c(n2)CS(=O)(=O)C3)NC(=
    O)c4ccc(cc4)C(=O)c5ccccc5; COc1ccc(cc1)n
    2nc3C[S](=O)(=O)Cc3c2NC(=O)c4ccc(cc4)C(=
    O)c5ccccc5    		 N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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