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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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    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    22201
    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
    22202
    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
    22203
    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
    22204
    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
    22205
    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
    22206
    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
    22207
    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
    22208
    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
    22209
    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
    22210
    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
    22211
    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
    22212
    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
    22213
    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
    22214
    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
    22215
    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
    22216
    GNP
    CHEMBL1233085
    DB02082
    ZINC000037868676    		 1251 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
    22217
    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
    22218
    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
    22219
    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
    22220
    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
    22221
    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
    22222
    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
    22223
    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
    22224
    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
    22225
    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
    22226
    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
    22227
    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
    22228
    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
    22229
    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
    22230
    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
    22231
    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
    22232
    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
    22233
    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
    22234
    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
    22235
    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
    22236
    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
    22237
    GOA
    CHEMBL252557
    DB03085
    ZINC000004658557    		 104 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
    22238
    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
    22239
    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
    22240
    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
    22241
    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
    22242
    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
    22243
    GOG
    CHEMBL2420930
    ZINC000001640901    		 2 C8 H6 O5 InChI=1S/C8H6O5/c9-5-3-1-
    2-4(7(10)11)6(5)8(12)13/h
    1-3,9H,(H,10,11)(H,12,13);
    MNUOZFHYBCRUOD-UHFFFAOYSA-N    		 OC(=O)c1cccc(O)c1C(O)=O; c1(c(C(O)=O)ccc
    c1O)C(O)=O; c1cc(c(c(c1)O)C(=O)O)C(=O)O    		 3-hydroxybenzene-1,2-dicarboxylic acid
    22244
    GOH
    ZINC000263621180    		 2 C11 H10 N6 O InChI=1S/C11H10N6O/c1-2-6
    -17(5-1)11-8(9-13-15-16-1
    4-9)12-10(18-11)7-3-4-7/h
    1-2,5-7H,3-4H2,(H,13,14,1
    5,16);
    WNHQAZRUEGMEKF-UHFFFAOYSA-N    		 c1ccn(c1)c2c(nc(o2)C3CC3)c4[nH]nnn4; C1C
    C1c2oc(n3cccc3)c(n2)c4[nH]nnn4    		 5-[2-cyclopropyl-5-(1H-pyrrol-1-yl)-1,3-oxazol-4-yl]-1H-1,2,3,4-tetrazole
    22245
    GOI
    ZINC000098208964    		 1 C29 H39 N3 O6 InChI=1S/C29H39N3O6/c33-2
    0-25-26(34)27(35)28(36)29
    (38-25)37-19-18-31-16-14-
    30(15-17-31)12-5-13-32-23
    -8-3-1-6-21(23)10-11-22-7
    -2-4-9-24(22)32/h1-4,6-11
    ,25-29,33-36H,5,12-20H2/t
    25-,26-,27+,28-,29-/m1/s1;
    GVUGRCGKZRTSLY-XYPQWYOHSA-N    		 OC[C@H]1O[C@@H](OCCN2CCN(CCCN3c4ccccc4C=
    Cc5ccccc35)CC2)[C@H](O)[C@@H](O)[C@@H]1O
    ; c1ccc2c(c1)C=Cc3ccccc3N2CCCN4CCN(CC4)C
    CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)
    O)O)O; OC[CH]1O[CH](OCCN2CCN(CCCN3c4cccc
    c4C=Cc5ccccc35)CC2)[CH](O)[CH](O)[CH]1O;
    O(CCN4CCN(CCCN3c1ccccc1C=Cc2ccccc23)CC4
    )C5OC(C(O)C(O)C5O)CO; c1ccc2c(c1)C=Cc3cc
    ccc3N2CCCN4CCN(CC4)CCOC5C(C(C(C(O5)CO)O)
    O)O    		 2-{4-[3-(5H-dibenzo[b,f]azepin-5-yl)propyl]piperazin-1-yl}ethyl beta-D-glucopyranoside
    22246
    GOJ
    CHEMBL4461273
    ZINC000000409316    		 7 C6 H8 N2 O2 InChI=1S/C6H8N2O2/c1-2-10
    -6(9)5-3-7-8-4-5/h3-4H,2H
    2,1H3,(H,7,8);
    KACZQOKEFKFNDB-UHFFFAOYSA-N    		 CCOC(=O)c1c[nH]nc1 ethyl 1~{H}-pyrazole-4-carboxylate
    22247
    GOK
    CHEMBL2105763
    DB12985
    ZINC000035836133    		 10 C21 H26 N6 O2 InChI=1S/C21H26N6O2/c1-26
    -14-17(18-4-2-3-5-19(18)2
    6)11-22-10-15-6-8-27(9-7-
    15)21-23-12-16(13-24-21)2
    0(28)25-29/h2-5,12-15,22,
    29H,6-11H2,1H3,(H,25,28);
    PAWIYAYFNXQGAP-UHFFFAOYSA-N    		 Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C
    (=O)NO; Cn1cc(CNCC2CCN(CC2)c3ncc(cn3)C(=
    O)NO)c4ccccc14    		 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide
    22248
    GOL
    CHEMBL692
    DB09462
    ZINC000000895048    		 908 C3 H8 O3 InChI=1S/C3H8O3/c4-1-3(6)
    2-5/h3-6H,1-2H2;
    PEDCQBHIVMGVHV-UHFFFAOYSA-N    		 C(C(CO)O)O; OCC(O)CO GLYCEROL;
    GLYCERIN;
    PROPANE-1,2,3-TRIOL
    22249
    GOM    		 2 C15 H22 N6 O9 P InChI=1S/C15H23N6O9P/c16-
    7(1-2-9(22)23)3-28-31(26,
    27)29-4-8-11(24)12(25)15(
    30-8)21-6-20-10-13(17)18-
    5-19-14(10)21/h5-8,11-12,
    15,24-25H,1-4,16H2,(H,22,
    23)(H,26,27)(H2,17,18,19)
    /p-1/t7-,8+,11+,12+,15+/m
    0/s1;
    JDELUWYDJMPPMI-SBZSCLMQSA-M    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CO[P@](=O)([O-])OC[C@H](CCC(=O)[O
    -])[NH3+])O)O)N; Nc1ncnc2n(cnc12)[C@@H]3
    O[C@H](CO[P]([O-])(=O)OC[C@@H]([NH3+])CC
    C([O-])=O)[C@@H](O)[C@H]3O; [O-]C(=O)CCC
    ([NH3+])COP([O-])(=O)OCC3OC(n2cnc1c(ncnc
    12)N)C(O)C3O; c1nc(c2c(n1)n(cn2)C3C(C(C(
    O3)COP(=O)([O-])OCC(CCC(=O)[O-])[NH3+])O
    )O)N; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P]([
    O-])(=O)OC[CH]([NH3+])CCC([O-])=O)[CH](O
    )[CH]3O    		 GLUTAMOL-AMP
    22250
    GON
    CHEMBL4536298
    ZINC000008996415    		 4 C23 H26 N4 O3 InChI=1S/C23H26N4O3/c24-2
    3(29)17-8-10-27(11-9-17)1
    2-13-30-18-6-7-19(21(28)1
    4-18)22-20(15-25-26-22)16
    -4-2-1-3-5-16/h1-7,14-15,
    17,28H,8-13H2,(H2,24,29)(
    H,25,26);
    PYIQTHALSLWYHD-UHFFFAOYSA-N    		 NC(=O)C1CCN(CCOc2ccc(c(O)c2)c3[nH]ncc3c4
    ccccc4)CC1; c1ccc(cc1)c2cn[nH]c2c3ccc(cc
    3O)OCCN4CCC(CC4)C(=O)N    		 1-[2-[3-oxidanyl-4-(4-phenyl-1~{H}-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide
    22251
    GOO
    CHEMBL427643    		 1 C6 H13 N O4 InChI=1S/C6H13NO4/c1-11-6
    -2(7)3(8)4(9)5(6)10/h2-6,
    8-10H,7H2,1H3/t2-,3+,4+,5
    +,6+/m0/s1;
    NLCVJSNNNWJBCS-YDMGZANHSA-N    		 CO[CH]1[CH](N)[CH](O)[CH](O)[CH]1O; CO[C
    @@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O;
    CO[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)
    N; OC1C(N)C(OC)C(O)C1O; COC1C(C(C(C1O)O)
    O)N    		 (1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol
    22252
    GOP
    ZINC000071758446    		 4 C11 H22 N2 O8 InChI=1S/C11H22N2O8/c12-8
    (17)2-1-5(11(20)21)13-3-6
    (15)9(18)10(19)7(16)4-14/
    h5-7,9-10,13-16,18-19H,1-
    4H2,(H2,12,17)(H,20,21)/t
    5-,6-,7+,9+,10+/m0/s1;
    VPRLICVDSGMIKO-ZSAGQLGGSA-N    		 NC(=O)CC[CH](NC[CH](O)[CH](O)[CH](O)[CH]
    (O)CO)C(O)=O; C(CC(=O)N)[C@@H](C(=O)O)NC
    [C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O; N
    C(=O)CC[C@H](NC[C@H](O)[C@@H](O)[C@H](O)
    [C@H](O)CO)C(O)=O; C(CC(=O)N)C(C(=O)O)NC
    C(C(C(C(CO)O)O)O)O    		 Glucopine
    22253
    GOQ
    CHEMBL93353
    ZINC000000000052    		 12 C17 H11 N O7 InChI=1S/C17H11NO7/c1-23-
    12-4-2-3-8-9(12)5-11(18(2
    1)22)14-10(17(19)20)6-13-
    16(15(8)14)25-7-24-13/h2-
    6H,7H2,1H3,(H,19,20);
    BBFQZRXNYIEMAW-UHFFFAOYSA-N    		 COc1cccc2c1cc(c3c(cc4OCOc4c23)C(O)=O)[N+
    ]([O-])=O; COc1cccc2c1cc(c3c2c4c(cc3C(=O
    )O)OCO4)[N+](=O)[O-]    		 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid
    22254
    GOR
    CHEMBL602280
    ZINC000002383163    		 8 C16 H9 N O6 InChI=1S/C16H9NO6/c18-16(
    19)10-6-12-15(23-7-22-12)
    14-9-4-2-1-3-8(9)5-11(13(
    10)14)17(20)21/h1-6H,7H2,
    (H,18,19);
    MEEXETVZNQYRSP-UHFFFAOYSA-N    		 OC(=O)c1cc2OCOc2c3c4ccccc4cc(c13)[N+]([O
    -])=O; c1ccc2c(c1)cc(c3c2c4c(cc3C(=O)O)O
    CO4)[N+](=O)[O-]    		 6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid
    22255
    GOS
    CHEMBL404748
    ZINC000013682453    		 2 C6 H16 O12 P2 InChI=1S/C6H16O12P2/c7-3(
    1-17-19(11,12)13)5(9)6(10
    )4(8)2-18-20(14,15)16/h3-
    10H,1-2H2,(H2,11,12,13)(H
    2,14,15,16)/t3-,4+,5-,6-/
    m1/s1;
    WOYYTQHMNDWRCW-JGWLITMVSA-N    		 C(C(C(C(C(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O
    ; C([C@H]([C@H]([C@@H]([C@H](COP(=O)(O)O
    )O)O)O)O)OP(=O)(O)O; O[C@@H](CO[P](O)(O)
    =O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=
    O; C(C(O)C(O)C(C(COP(=O)(O)O)O)O)OP(O)(=
    O)O; O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[
    CH](O)CO[P](O)(O)=O    		 D-Glucitol-1,6-bisphosphate;
    1,6-di-O-phosphono-D-glucitol
    22256
    GOT    		 1 C39 H75 O10 P InChI=1S/C39H75O10P/c1-3-
    5-7-9-10-11-12-13-14-15-1
    6-19-23-27-38(42)46-32-37
    (33-48-50(44,45)47-31-36(
    41)30-40)49-39(43)28-24-2
    0-17-18-22-26-35-29-34(35
    )25-21-8-6-4-2/h34-37,40-
    41H,3-33H2,1-2H3,(H,44,45
    )/t34-,35+,36+,37+/m0/s1;
    JWIOKCJPLNKYBQ-UPIAJAFBSA-N    		 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO
    )O)OC(=O)CCCCCCCC1CC1CCCCCC; CCCCCCCCCCC
    CCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](CO)O
    )OC(=O)CCCCCCC[C@@H]1C[C@@H]1CCCCCC; CCC
    CCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[
    C@H](O)CO)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CC
    CCCC; CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O
    )(=O)OC[CH](O)CO)OC(=O)CCCCCCC[CH]1C[CH]
    1CCCCCC    		 Phospholipid PG(16:0/cy17:0)
    22257
    GOU    		 2 C12 H13 Cl N6 O InChI=1S/C12H13ClN6O/c1-6
    (2)8-3-7(20-18-8)4-19-5-1
    5-9-10(13)16-12(14)17-11(
    9)19/h3,5-6H,4H2,1-2H3,(H
    2,14,16,17);
    LLJVEUPHZCRERN-UHFFFAOYSA-N    		 CC(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N; CC(C)
    c1cc(Cn2cnc3c(Cl)nc(N)nc23)on1    		 6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine
    22258
    GOV
    ZINC000000570841    		 4 C11 H15 N O3 InChI=1S/C11H15NO3/c1-8(1
    3)5-12-6-9-2-3-10-11(4-9)
    15-7-14-10/h2-4,8,12-13H,
    5-7H2,1H3/t8-/m0/s1;
    VIYPNISBCRFBOV-QMMMGPOBSA-N    		 C[C@@H](CNCc1ccc2c(c1)OCO2)O; C[CH](O)CN
    Cc1ccc2OCOc2c1; CC(O)CNCc1ccc2OCOc2c1; C
    [C@H](O)CNCc1ccc2OCOc2c1; CC(CNCc1ccc2c(
    c1)OCO2)O    		 (2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol
    22259
    GOW
    CHEMBL3797597
    ZINC000653843991    		 4 C15 H14 N2 O3 InChI=1S/C15H14N2O3/c1-10
    -7-8-12(15(19)17-20)9-13(
    10)16-14(18)11-5-3-2-4-6-
    11/h2-9,20H,1H3,(H,16,18)
    (H,17,19);
    ROYNQMDXPFEFHJ-UHFFFAOYSA-N    		 Cc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO 3-benzamido-4-methyl-~{N}-oxidanyl-benzamide
    22260
    GOX
    CHEMBL1213470
    DB02376    		 9 C6 H12 N2 O5 InChI=1S/C6H12N2O5/c9-1-2
    -3(10)4(11)5(12)6(7-2)8-1
    3/h2-5,9-13H,1H2,(H,7,8)/
    t2-,3-,4+,5-/m1/s1;
    VBXHGXTYZGYTQG-SQOUGZDYSA-N    		 C(C1C(C(C(C(=NO)N1)O)O)O)O; C([C@@H]1[C@
    H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O)O; OC[
    CH]1NC(=NO)[CH](O)[CH](O)[CH]1O; OC[C@H]
    1NC(=N\O)/[C@H](O)[C@@H](O)[C@@H]1O; OC1
    C(O)C(O)C(=N\O)\NC1CO    		 (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL;
    D-GLUCONHYDROXIMO-1,5-LACTAM
    22261
    GOY
    CHEMBL11960
    ZINC000000155163    		 3 C11 H20 N2 O InChI=1S/C11H20N2O/c14-11
    (12-7-3-1-4-8-12)13-9-5-2
    -6-10-13/h1-10H2;
    SNOJOKOVTYPHMC-UHFFFAOYSA-N    		 C1CCN(CC1)C(=O)N2CCCCC2; O=C(N1CCCCC1)N2
    CCCCC2    		 di(piperidin-1-yl)methanone
    22262
    GOZ
    CHEMBL4596292    		 2 C20 H26 N6 O2 InChI=1S/C20H26N6O2/c21-1
    5(9-13-5-2-1-3-6-13)20(28
    )26-8-4-7-16(26)19(27)24-
    12-14-10-17(22)25-18(23)1
    1-14/h1-3,5-6,10-11,15-16
    H,4,7-9,12,21H2,(H,24,27)
    (H4,22,23,25)/t15-,16+/m1
    /s1;
    ULOXRVUIRNGIOC-CVEARBPZSA-N    		 N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3
    cc(N)nc(N)c3; N[C@H](Cc1ccccc1)C(=O)N2CC
    C[C@H]2C(=O)NCc3cc(N)nc(N)c3; c1ccc(cc1)
    CC(C(=O)N2CCCC2C(=O)NCc3cc(nc(c3)N)N)N;
    c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NC
    c3cc(nc(c3)N)N)N    		 (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide
    22263
    GP0
    ZINC000095920630    		 1 C11 H15 F N2 O8 InChI=1S/C11H15FN2O8/c12-
    4-1-14(10(20)13-8(4)19)9-
    7(18)11(21,3-16)6(17)5(2-
    15)22-9/h1,5-7,9,15-18,21
    H,2-3H2,(H,13,19,20)/t5-,
    6-,7+,9-,11+/m1/s1;
    ASRLDHHNHXDEKP-RZBPYSQRSA-N    		 C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)(CO)
    O)O)F; C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C
    @@]([C@@H]([C@H](O2)CO)O)(CO)O)O)F; OC[C
    H]1O[CH]([CH](O)[C](O)(CO)[CH]1O)N2C=C(F
    )C(=O)NC2=O; FC1=CN(C(=O)NC1=O)C2OC(C(O)
    C(O)(C2O)CO)CO; OC[C@H]1O[C@H]([C@H](O)[
    C@](O)(CO)[C@@H]1O)N2C=C(F)C(=O)NC2=O    		 5-fluoro-1-[3-C-(hydroxymethyl)-beta-D-glucopyranosyl]pyrimidine-2,4(1H,3H)-dione;
    5-fluoro-1-[3-C-(hydroxymethyl)-beta-D-glucosyl]pyrimidine-2,4(1H,3H)-dione;
    5-fluoro-1-[3-C-(hydroxymethyl)-D-glucosyl]pyrimidine-2,4(1H,3H)-dione;
    5-fluoro-1-[3-C-(hydroxymethyl)-glucosyl]pyrimidine-2,4(1H,3H)-dione
    22264
    GP1
    DB03111
    ZINC000004097029    		 9 C6 H14 N O8 P InChI=1S/C6H14NO8P/c7-3-5
    (10)4(9)2(1-8)14-6(3)15-1
    6(11,12)13/h2-6,8-10H,1,7
    H2,(H2,11,12,13)/t2-,3-,4
    -,5-,6-/m1/s1;
    YMJBYRVFGYXULK-QZABAPFNSA-N    		 N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O
    )(O)=O; O=P(OC1OC(C(O)C(O)C1N)CO)(O)O; N
    [C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H
    ]1O[P](O)(O)=O; C([C@@H]1[C@H]([C@@H]([C
    @H]([C@H](O1)OP(=O)(O)O)N)O)O)O; C(C1C(C
    (C(C(O1)OP(=O)(O)O)N)O)O)O    		 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose;
    GLUCOSAMINE 1-PHOSPHATE;
    1-O-phosphono-alpha-D-glucosamine;
    2-amino-2-deoxy-1-O-phosphono-alpha-D-glucose;
    2-amino-2-deoxy-1-O-phosphono-D-glucose;
    2-amino-2-deoxy-1-O-phosphono-glucose
    22265
    GP2
    CHEMBL1164951
    DB03486
    ZINC000013549556    		 4 C11 H17 N5 O10 P2 InChI=1S/C11H17N5O10P2/c1
    2-11-14-8-5(9(19)15-11)13
    -2-16(8)10-7(18)6(17)4(26
    -10)1-25-28(23,24)3-27(20
    ,21)22/h2,4,6-7,10,17-18H
    ,1,3H2,(H,23,24)(H2,20,21
    ,22)(H3,12,14,15,19)/t4-,
    6-,7-,10-/m1/s1;
    OCJWYBKRHNXUME-KQYNXXCUSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@
    ](O)(=O)C[P](O)(O)=O)[C@@H](O)[C@H]3O; c
    1nc2c(n1C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)
    O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[C
    H]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O
    )[CH]3O; O=P(O)(O)CP(=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)(CP(=O)(O
    )O)O)O)O)N=C(NC2=O)N    		 PHOSPHOMETHYLPHOSPHONIC ACID GUANOSYL ESTER
    22266
    GP3
    DB03931
    ZINC000085426282    		 5 C20 H27 N10 O18 P3 InChI=1S/C20H27N10O18P3/c
    21-19-25-13-7(15(35)27-19
    )23-3-29(13)17-11(33)9(31
    )5(45-17)1-43-49(37,38)47
    -51(41,42)48-50(39,40)44-
    2-6-10(32)12(34)18(46-6)3
    0-4-24-8-14(30)26-20(22)2
    8-16(8)36/h3-6,9-12,17-18
    ,31-34H,1-2H2,(H,37,38)(H
    ,39,40)(H,41,42)(H3,21,25
    ,27,35)(H3,22,26,28,36)/t
    5-,6-,9-,10-,11-,12-,17-,
    18-/m1/s1;
    AAXYAFFKOSNMEB-MHARETSRSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@
    ](O)(=O)O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H
    ]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6C(=O)NC(
    =Nc56)N)[C@@H](O)[C@H]3O; c1nc2c(n1[C@H]
    3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP
    (=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H](
    [C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=
    C(NC2=O)N; c1nc2c(n1C3C(C(C(O3)COP(=O)(O
    )OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5
    N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N; NC1=Nc2
    n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P
    ](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[
    CH]4O)n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3
    O    		 DIGUANOSINE-5'-TRIPHOSPHATE
    22267
    GP4
    ZINC000005830060    		 3 C6 H14 N O8 P InChI=1S/C6H14NO8P/c7-3-4
    (9)5(15-16(11,12)13)2(1-8
    )14-6(3)10/h2-6,8-10H,1,7
    H2,(H2,11,12,13)/t2-,3-,4
    -,5-,6+/m1/s1;
    QWDBGVNDGYUIAC-UKFBFLRUSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N
    )O)OP(=O)(O)O)O; C(C1C(C(C(C(O1)O)N)O)OP
    (=O)(O)O)O; N[CH]1[CH](O)O[CH](CO)[CH](O
    [P](O)(O)=O)[CH]1O; N[C@H]1[C@@H](O)O[C@
    H](CO)[C@@H](O[P](O)(O)=O)[C@@H]1O; O=P(
    O)(O)OC1C(OC(O)C(N)C1O)CO    		 2-amino-2-deoxy-4-O-phosphono-alpha-D-glucopyranose;
    GLUCOSAMINE 4-PHOSPHATE;
    N-acetyl-4-O-phosphono-alpha-D-glucosamine;
    2-amino-2-deoxy-4-O-phosphono-alpha-D-glucose;
    2-amino-2-deoxy-4-O-phosphono-D-glucose;
    2-amino-2-deoxy-4-O-phosphono-glucose
    22268
    GP5    		 2 C20 H29 N10 O24 P5 InChI=1S/C20H29N10O24P5/c
    21-19-25-13-7(15(35)27-19
    )23-3-29(13)17-11(33)9(31
    )5(49-17)1-47-55(37,38)51
    -57(41,42)53-59(45,46)54-
    58(43,44)52-56(39,40)48-2
    -6-10(32)12(34)18(50-6)30
    -4-24-8-14(30)26-20(22)28
    -16(8)36/h3-6,9-12,17-18,
    31-34H,1-2H2,(H,37,38)(H,
    39,40)(H,41,42)(H,43,44)(
    H,45,46)(H3,21,25,27,35)(
    H3,22,26,28,36)/t5-,6+,9-
    ,10+,11-,12+,17-,18+;
    RELSGTOCAPVUGP-DTFXMBEISA-N    		 c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O
    P(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n
    5cnc6c5N=C(NC6=O)N)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[P](O)(=O)O[P](O)(=O)O[P
    ](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc
    6C(=O)NC(=Nc56)N)[CH](O)[CH]3O; c1nc2c(n
    1[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@@](=O
    )(O)O[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)O[
    P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O
    4)n5cnc6c5N=C(NC6=O)N)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[P@](O)(=O)O[P@
    @](O)(=O)O[P@](O)(=O)OC[C@H]4O[C@H]([C@H
    ](O)[C@@H]4O)n5cnc6C(=O)NC(=Nc56)N)[C@H]
    (O)[C@@H]3O    		 DIGUANOSINE-PENTAPHOSPHATE
    22269
    GP6
    DB04336
    ZINC000002047873    		 1 C14 H13 Cl N4 O InChI=1S/C14H13ClN4O/c15-
    10-3-7-12(8-4-10)19-14(20
    )18-11-5-1-9(2-6-11)13(16
    )17/h1-8H,(H3,16,17)(H2,1
    8,19,20);
    HQWKMDKTTCPCMQ-UHFFFAOYSA-N    		 [H]N=C(c1ccc(cc1)NC(=O)Nc2ccc(cc2)Cl)N;
    [H]/N=C(\c1ccc(cc1)NC(=O)Nc2ccc(cc2)Cl)/
    N; Clc2ccc(NC(=O)Nc1ccc(C(=[N@H])N)cc1)c
    c2; NC(=N)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1    		 1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA
    22270
    GP7
    ZINC000058626948    		 16 C36 H68 N O8 P InChI=1S/C36H68NO8P/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-36(39)45-34(33
    -44-46(40,41)43-31-30-37)
    32-42-35(38)28-26-24-22-2
    0-18-16-14-12-10-8-6-4-2/
    h7,9,13,15,34H,3-6,8,10-1
    2,14,16-33,37H2,1-2H3,(H,
    40,41)/b9-7+,15-13+/t34-/
    m1/s1;
    NMIBJXZODRRZEA-NTSPIXPOSA-N    		 CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC
    (=O)CCCCCCCC=CCC=CCCC; CCCCCCCCCCCCCCC(=
    O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC
    =CCC=CCCC; CCCCCCCCCCCCCCC(=O)OC[C@H](CO
    [P](O)(=O)OCCN)OC(=O)CCCCCCC\C=C\C\C=C\C
    CC; O=C(OCC(OC(=O)CCCCCCC/C=C/C/C=C/CCC)
    COP(=O)(OCCN)O)CCCCCCCCCCCCCC; CCCCCCCCC
    CCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(
    =O)CCCCCCCC=CC/C=C/CCC    		 (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate;
    1-pentadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphoethanolamine
    22271
    GP8
    CHEMBL1233097
    DB03337
    ZINC000000009048    		 1 C20 H18 N4 O2 InChI=1S/C20H18N4O2/c21-1
    9(22)14-6-8-15(9-7-14)23-
    20(25)24-16-10-12-18(13-1
    1-16)26-17-4-2-1-3-5-17/h
    1-13H,(H3,21,22)(H2,23,24
    ,25);
    ZHCAYBOLUMAUQX-UHFFFAOYSA-N    		 O=C(Nc1ccc(C(=[N@H])N)cc1)Nc3ccc(Oc2cccc
    c2)cc3; c1ccc(cc1)Oc2ccc(cc2)NC(=O)Nc3cc
    c(cc3)C(=N)N; NC(=N)c1ccc(NC(=O)Nc2ccc(O
    c3ccccc3)cc2)cc1    		 1-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREA
    22272
    GP9    		 14 C3 H7 O6 P InChI=1S/C3H9O6P/c4-1-3(5
    )2-9-10(6,7)8/h3-5H,1-2H2
    ,(H2,6,7,8)/p-2/t3-/m1/s1;
    AWUCVROLDVIAJX-GSVOUGTGSA-L    		 OC[CH](O)CO[P]([O-])([O-])=O; OC[C@@H](O
    )CO[P]([O-])([O-])=O; [O-]P([O-])(=O)OCC
    (O)CO; C(C(COP(=O)([O-])[O-])O)O    		 (2R)-2,3-dihydroxypropyl phosphate
    22273
    GPA
    CHEMBL20667
    ZINC000002384694    		 3 C4 H10 N4 O2 InChI=1S/C4H10N4O2/c5-2(3
    (9)10)1-8-4(6)7/h2H,1,5H2
    ,(H,9,10)(H4,6,7,8)/t2-/m
    0/s1;
    XNBJHKABANTVCP-REOHCLBHSA-N    		 N[C@@H](CNC(N)=N)C(O)=O; [H]/N=C(/N)\NC[
    C@@H](C(=O)O)N; O=C(O)C(N)CNC(=[N@H])N;
    N[CH](CNC(N)=N)C(O)=O; [H]N=C(N)NCC(C(=O
    )O)N    		 2-AMINO-3-GUANIDINO-PROPIONIC ACID
    22274
    GPB
    CHEMBL439973
    ZINC000003874328    		 1 C21 H23 N5 O5 InChI=1S/C21H23N5O5/c1-11
    -17-14(10-23-18(17)26-21(
    22)24-11)7-4-12-2-5-13(6-
    3-12)19(29)25-15(20(30)31
    )8-9-16(27)28/h2-3,5-6,10
    ,15H,4,7-9H2,1H3,(H,25,29
    )(H,27,28)(H,30,31)(H3,22
    ,23,24,26)/t15-/m0/s1;
    FICRNCFTTZHHPO-HNNXBMFYSA-N    		 Cc1c2c(c[nH]c2nc(n1)N)CCc3ccc(cc3)C(=O)N
    [C@@H](CCC(=O)O)C(=O)O; Cc1nc(N)nc2[nH]c
    c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)
    =O)c12; Cc1nc(N)nc2[nH]cc(CCc3ccc(cc3)C(
    =O)N[CH](CCC(O)=O)C(O)=O)c12; O=C(O)C(NC
    (=O)c1ccc(cc1)CCc3c2c(nc(nc2nc3)N)C)CCC(
    =O)O; Cc1c2c(c[nH]c2nc(n1)N)CCc3ccc(cc3)
    C(=O)NC(CCC(=O)O)C(=O)O    		 N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID
    22275
    GPC
    ZINC000058631636    		 1 C19 H24 F N8 O11 P InChI=1S/C19H24FN8O11P/c2
    0-9-13(6(3-29)37-16(9)28-
    5-23-10-14(28)25-18(22)26
    -15(10)32)39-40(34,35)36-
    4-7-11(30)12(31)17(38-7)2
    7-2-1-8(21)24-19(27)33/h1
    -2,5-7,9,11-13,16-17,29-3
    1H,3-4H2,(H,34,35)(H2,21,
    24,33)(H3,22,25,26,32)/t6
    -,7-,9-,11-,12-,13-,16-,1
    7-/m1/s1;
    ZSBUMMSBXYRQAK-FOJQSULLSA-N    		 c1nc2c(n1C3C(C(C(O3)CO)OP(=O)(O)OCC4C(C(
    C(O4)N5C=CC(=NC5=O)N)O)O)F)N=C(NC2=O)N;
    c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO
    )O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H
    ](O4)N5C=CC(=NC5=O)N)O)O)F)N=C(NC2=O)N;
    O=C5NC(=Nc1c5ncn1C4OC(CO)C(OP(=O)(O)OCC3
    OC(N2C(=O)N=C(N)C=C2)C(O)C3O)C4F)N; NC1=
    Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@@H]
    (O[P@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@
    H]4O)N5C=CC(=NC5=O)N)[C@H]3F; NC1=Nc2n(c
    nc2C(=O)N1)[CH]3O[CH](CO)[CH](O[P](O)(=O
    )OC[CH]4O[CH]([CH](O)[CH]4O)N5C=CC(=NC5=
    O)N)[CH]3F    		 2'-FLUOROGUANYLYL-(3'-5')-PHOSPHOCYTIDINE
    22276
    GPD
    ZINC000058661248    		 8 C16 H26 N6 O13 P2 InChI=1S/C16H26N6O13P2/c1
    -5-6(17)2-7(23)15(32-5)34
    -37(29,30)35-36(27,28)31-
    3-8-10(24)11(25)14(33-8)2
    2-4-19-9-12(22)20-16(18)2
    1-13(9)26/h4-8,10-11,14-1
    5,23-25H,2-3,17H2,1H3,(H,
    27,28)(H,29,30)(H3,18,20,
    21,26)/t5-,6+,7+,8-,10-,1
    1-,14-,15-/m1/s1;
    DRNSMVBRYJDNAT-CYCRINRGSA-N    		 C[C@H]1O[C@H](O[P@@](O)(=O)O[P@](O)(=O)O
    C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4C(=
    O)NC(=Nc34)N)[C@@H](O)C[C@@H]1N; CC1C(CC
    (C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3c
    nc4c3N=C(NC4=O)N)O)O)O)N; C[C@@H]1[C@H](
    C[C@@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(
    O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c
    3N=C(NC4=O)N)O)O)O)N; C[CH]1O[CH](O[P](O
    )(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]
    2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)C[CH]1N;
    O=P(OC1OC(C(N)CC1O)C)(O)OP(=O)(O)OCC4OC
    (n2c3N=C(N)NC(=O)c3nc2)C(O)C4O    		 (2R,3S,5S,6R)-5-amino-3-hydroxy-6-methyl-oxan-2-yl
    22277
    GPE
    DB15872
    ZINC000004095590    		 5 C5 H14 N O6 P InChI=1S/C5H14NO6P/c6-1-2
    -11-13(9,10)12-4-5(8)3-7/
    h5,7-8H,1-4,6H2,(H,9,10)/
    t5-/m1/s1;
    JZNWSCPGTDBMEW-RXMQYKEDSA-N    		 C(CO[P@](=O)(O)OC[C@@H](CO)O)N; C(COP(=O
    )(O)OCC(CO)O)N; NCCO[P](O)(=O)OC[CH](O)C
    O; NCCO[P@@](O)(=O)OC[C@H](O)CO; O=P(OCC
    (O)CO)(OCCN)O    		 L-ALPHA-GLYCEROPHOSPHORYLETHANOLAMINE
    22278
    GPF
    CHEMBL95764
    ZINC000003872713    		 2 C3 H8 N O5 P InChI=1S/C3H8NO5P/c5-3(6)
    1-4-2-10(7,8)9/h4H,1-2H2,
    (H,5,6)(H2,7,8,9);
    XDDAORKBJWWYJS-UHFFFAOYSA-N    		 OC(=O)CNC[P](O)(O)=O; C(C(=O)O)NCP(=O)(O
    )O; O=C(O)CNCP(=O)(O)O    		 N-(phosphonomethyl)glycine
    22279
    GPG
    ZINC000058661255    		 2 C20 H25 N10 O12 P InChI=1S/C20H25N10O12P/c2
    1-19-25-13-7(15(35)27-19)
    23-3-29(13)17-11(34)9(32)
    6(41-17)2-39-43(37,38)42-
    12-10(33)5(1-31)40-18(12)
    30-4-24-8-14(30)26-20(22)
    28-16(8)36/h3-6,9-12,17-1
    8,31-34H,1-2H2,(H,37,38)(
    H3,21,25,27,35)(H3,22,26,
    28,36)/t5-,6-,9-,10-,11-,
    12-,17-,18-/m1/s1;
    YYNDAHWXMRBBRC-MHARETSRSA-N    		 O=C6NC(=Nc1c6ncn1C5OC(CO)C(O)C5OP(=O)(O)
    OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O)N; c1
    nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P
    @@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5
    cnc6c5N=C(NC6=O)N)CO)O)O)O)N=C(NC2=O)N;
    NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)
    (=O)O[CH]4[CH](O)[CH](CO)O[CH]4n5cnc6C(=
    O)NC(=Nc56)N)[CH](O)[CH]3O; c1nc2c(n1C3C
    (C(C(O3)COP(=O)(O)OC4C(C(OC4n5cnc6c5N=C(
    NC6=O)N)CO)O)O)O)N=C(NC2=O)N; NC1=Nc2n(c
    nc2C(=O)N1)[C@@H]3O[C@H](CO[P@](O)(=O)O[
    C@@H]4[C@H](O)[C@@H](CO)O[C@H]4n5cnc6C(=
    O)NC(=Nc56)N)[C@@H](O)[C@H]3O    		 GUANYLYL-2',5'-PHOSPHOGUANOSINE
    22280
    GPH
    ZINC000058631562    		 0 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-/m1/s1;
    JDFMKMOMBHLESC-XQCVOTFFSA-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(
    C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O; C([C@
    H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)
    O)O)O)OP(=O)(O)O)O)O    		 4-O-phosphono-D-glycero-beta-D-manno-heptopyranose;
    4-O-phosphono-D-glycero-beta-D-manno-heptose;
    4-O-phosphono-D-glycero-D-manno-heptose;
    4-O-phosphono-D-glycero-manno-heptose
    22281
    GPI
    CHEMBL6367
    DB01951
    ZINC000003827029    		 1 C20 H28 N2 O4 InChI=1S/C20H28N2O4/c1-4-
    20(2,3)17(23)18(24)22-12-
    6-10-16(22)19(25)26-13-7-
    9-15-8-5-11-21-14-15/h5,8
    ,11,14,16H,4,6-7,9-10,12-
    13H2,1-3H3/t16-/m0/s1;
    OQAHHWOPVDDWHD-INIZCTEOSA-N    		 CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc2ccc
    nc2; CCC(C)(C)C(=O)C(=O)N1CCC[CH]1C(=O)O
    CCCc2cccnc2; CCC(C)(C)C(=O)C(=O)N1CCC[C@
    H]1C(=O)OCCCc2cccnc2; O=C(OCCCc1cccnc1)C
    2N(C(=O)C(=O)C(C)(C)CC)CCC2    		 (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE;
    GPI-1046
    22282
    GPJ
    DB04539    		 29 C3 H9 N O5 P InChI=1S/C3H8NO5P/c5-3(6)
    1-4-2-10(7,8)9/h4H,1-2H2,
    (H,5,6)(H2,7,8,9)/p+1;
    XDDAORKBJWWYJS-UHFFFAOYSA-O    		 C(C(=O)O)[NH2+]CP(=O)(O)O; OC(=O)C[NH2+]
    C[P](O)(O)=O; O=C(O)C[NH2+]CP(=O)(O)O    		 GLYPHOSATE
    22283
    GPK
    CHEMBL4081944
    ZINC000034400982    		 1 C10 H13 F N2 O7 InChI=1S/C10H13FN2O7/c11-
    3-1-13(10(19)12-8(3)18)9-
    7(17)6(16)5(15)4(2-14)20-
    9/h1,4-7,9,14-17H,2H2,(H,
    12,18,19)/t4-,5-,6+,7-,9-
    /m1/s1;
    YHWGRVDTEORPPJ-XSEHCYKFSA-N    		 OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=C(
    F)C(=O)NC2=O; OC[C@H]1O[C@H]([C@H](O)[C@
    @H](O)[C@@H]1O)N2C=C(F)C(=O)NC2=O; FC1=C
    N(C(=O)NC1=O)C2OC(C(O)C(O)C2O)CO; C1=C(C
    (=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C
    @H](O2)CO)O)O)O)F; C1=C(C(=O)NC(=O)N1C2C
    (C(C(C(O2)CO)O)O)O)F    		 5-fluoro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione;
    5-fluoro-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione;
    5-fluoro-1-(D-glucosyl)pyrimidine-2,4(1H,3H)-dione;
    5-fluoro-1-(glucosyl)pyrimidine-2,4(1H,3H)-dione
    22284
    GPL
    ZINC000058631639    		 0 C16 H26 N7 O9 P InChI=1S/C16H26N7O9P/c17-
    7(15(27)28)3-1-2-4-20-33(
    29,30)31-5-8-10(24)11(25)
    14(32-8)23-6-19-9-12(23)2
    1-16(18)22-13(9)26/h6-8,1
    0-11,14,24-25H,1-5,17H2,(
    H,27,28)(H2,20,29,30)(H3,
    18,21,22,26)/t7-,8+,10+,1
    1+,14+/m0/s1;
    FYWIJTNESKGCIU-TWBCTODHSA-N    		 c1nc2c(n1C3C(C(C(O3)COP(=O)(NCCCCC(C(=O)
    O)N)O)O)O)N=C(NC2=O)N; N[CH](CCCCN[P](O)
    (=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=
    O)NC(=Nc23)N)C(O)=O; c1nc2c(n1[C@H]3[C@@
    H]([C@@H]([C@H](O3)CO[P@](=O)(NCCCC[C@@H
    ](C(=O)O)N)O)O)O)N=C(NC2=O)N; N[C@@H](CC
    CCN[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C
    @@H]1O)n2cnc3C(=O)NC(=Nc23)N)C(O)=O; O=C
    (O)C(N)CCCCNP(=O)(O)OCC3OC(n2cnc1c2N=C(N
    )NC1=O)C(O)C3O    		 LYSINE GUANOSINE-5'-MONOPHOSPHATE
    22285
    GPM
    ZINC000024987860    		 6 C7 H15 O8 P InChI=1S/C7H15O8P/c8-1-3-
    5(9)7(11)6(10)4(15-3)2-16
    (12,13)14/h3-11H,1-2H2,(H
    2,12,13,14)/t3-,4-,5-,6+,
    7+/m1/s1;
    XRMRHVWWWWFMKR-OVHBTUCOSA-N    		 OC[CH]1O[CH](C[P](O)(O)=O)[CH](O)[CH](O)
    [CH]1O; C(C1C(C(C(C(O1)CP(=O)(O)O)O)O)O)
    O; C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)
    CP(=O)(O)O)O)O)O)O; O=P(O)(O)CC1OC(C(O)C
    (O)C1O)CO; OC[C@H]1O[C@H](C[P](O)(O)=O)[
    C@H](O)[C@@H](O)[C@@H]1O    		 (1S)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol;
    GLUCOPYRANOSYL-1-METHYL-PHOSPHONIC ACID;
    Alpha-1 phosphonomethylene-D-glucopyranose
    22286
    GPN    		 0 C11 H16 N7 O4 InChI=1S/C11H15N7O4/c12-1
    -2-17(4-7(20)21)6(19)3-18
    -5-14-8-9(18)15-11(13)16-
    10(8)22/h5H,1-4,12H2,(H,2
    0,21)(H3,13,15,16,22)/p+1;
    WYRWRGIGYVLOGE-UHFFFAOYSA-O    		 NC1=Nc2n(CC(=O)N(CC[NH3+])CC(O)=O)cnc2C(
    =O)N1; c1nc2c(n1CC(=O)N(CC[NH3+])CC(=O)O
    )N=C(NC2=O)N; O=C(O)CN(C(=O)Cn1c2N=C(NC(
    =O)c2nc1)N)CC[NH3+]    		 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE
    22287
    GPO    		 0 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-/m1/s1;
    JDFMKMOMBHLESC-XQCVOTFFSA-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(
    C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O; C([C@
    H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)
    O)O)O)OP(=O)(O)O)O)O    		 4-O-phosphono-D-glycero-beta-D-manno-heptopyranose;
    4-O-phosphono-D-glycero-beta-D-manno-heptose;
    4-O-phosphono-D-glycero-D-manno-heptose;
    4-O-phosphono-D-glycero-manno-heptose
    22288
    GPP
    CHEMBL41342
    DB02552
    ZINC000008215849    		 95 C10 H20 O7 P2 InChI=1S/C10H20O7P2/c1-9(
    2)5-4-6-10(3)7-8-16-19(14
    ,15)17-18(11,12)13/h5,7H,
    4,6,8H2,1-3H3,(H,14,15)(H
    2,11,12,13)/b10-7+;
    GVVPGTZRZFNKDS-JXMROGBWSA-N    		 CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C; CC(
    =CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C;
    CC(C)=CCCC(/C)=C/CO[P@](O)(=O)O[P](O)(O
    )=O; CC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(
    O)=O; O=P(OP(=O)(OC/C=C(/CC\C=C(/C)C)C)O
    )(O)O    		 GERANYL DIPHOSPHATE
    22289
    GPQ
    CHEMBL2041081
    ZINC000084704255    		 1 C10 H13 Cl N2 O7 InChI=1S/C10H13ClN2O7/c11
    -3-1-13(10(19)12-8(3)18)9
    -7(17)6(16)5(15)4(2-14)20
    -9/h1,4-7,9,14-17H,2H2,(H
    ,12,18,19)/t4-,5-,6+,7-,9
    -/m1/s1;
    NONSBAHWXCNSII-XSEHCYKFSA-N    		 OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=C(
    Cl)C(=O)NC2=O; ClC1=CN(C(=O)NC1=O)C2OC(C
    (O)C(O)C2O)CO; C1=C(C(=O)NC(=O)N1C2C(C(C
    (C(O2)CO)O)O)O)Cl; OC[C@H]1O[C@H]([C@H](
    O)[C@@H](O)[C@@H]1O)N2C=C(Cl)C(=O)NC2=O;
    C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C
    @@H]([C@H](O2)CO)O)O)O)Cl    		 5-chloro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione;
    5-chloro-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione;
    5-chloro-1-(D-glucosyl)pyrimidine-2,4(1H,3H)-dione;
    5-chloro-1-(glucosyl)pyrimidine-2,4(1H,3H)-dione
    22290
    GPR
    DB01834
    ZINC000015685338    		 10 C24 H27 N3 O7 S InChI=1S/C24H27N3O7S/c25-
    17(24(33)34)9-10-19(28)27
    -18(23(32)26-11-20(29)30)
    12-35-22-16-8-4-2-6-14(16
    )13-5-1-3-7-15(13)21(22)3
    1/h1-8,17-18,21-22,31H,9-
    12,25H2,(H,26,32)(H,27,28
    )(H,29,30)(H,33,34)/t17-,
    18-,21+,22+/m0/s1;
    JNNIZILNBMPOAC-MOXQZVSFSA-N    		 c1ccc2c(c1)-c3ccccc3C(C2O)SCC(C(=O)NCC(=
    O)O)NC(=O)CCC(C(=O)O)N; c1ccc2c(c1)-c3cc
    ccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)
    O)NC(=O)CC[C@@H](C(=O)O)N; N[C@@H](CCC(=
    O)N[C@@H](CS[C@H]1[C@H](O)c2ccccc2c3cccc
    c13)C(=O)NCC(O)=O)C(O)=O; O=C(O)C(N)CCC(
    =O)NC(C(=O)NCC(=O)O)CSC3c1ccccc1c2c(cccc
    2)C3O; N[CH](CCC(=O)N[CH](CS[CH]1[CH](O)
    c2ccccc2c3ccccc13)C(=O)NCC(O)=O)C(O)=O    		 (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE
    22291
    GPS
    DB04187
    ZINC000012501153    		 12 C24 H27 N3 O7 S InChI=1S/C24H27N3O7S/c25-
    17(24(33)34)9-10-19(28)27
    -18(23(32)26-11-20(29)30)
    12-35-22-16-8-4-2-6-14(16
    )13-5-1-3-7-15(13)21(22)3
    1/h1-8,17-18,21-22,31H,9-
    12,25H2,(H,26,32)(H,27,28
    )(H,29,30)(H,33,34)/t17-,
    18-,21-,22-/m0/s1;
    JNNIZILNBMPOAC-GPHNJDIKSA-N    		 c1ccc2c(c1)-c3ccccc3C(C2O)SCC(C(=O)NCC(=
    O)O)NC(=O)CCC(C(=O)O)N; O=C(O)C(N)CCC(=O
    )NC(C(=O)NCC(=O)O)CSC3c1ccccc1c2c(cccc2)
    C3O; c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)
    SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(
    =O)O)N; N[CH](CCC(=O)N[CH](CS[CH]1[CH](O
    )c2ccccc2c3ccccc13)C(=O)NCC(O)=O)C(O)=O;
    N[C@@H](CCC(=O)N[C@@H](CS[C@@H]1[C@@H](
    O)c2ccccc2c3ccccc13)C(=O)NCC(O)=O)C(O)=O    		 L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine
    22292
    GPT
    ZINC000058650491    		 6 C15 H22 F N O4 InChI=1S/C15H22FNO4/c1-14
    (21)11(7-8-16)13(20)17-15
    (14,9-18)12(19)10-5-3-2-4
    -6-10/h3,5,9-12,19,21H,2,
    4,6-8H2,1H3,(H,17,20)/t10
    -,11+,12+,14+,15-/m1/s1;
    XVSPEIROBXUXKM-FUQNVFFISA-N    		 C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H
    ]2CCCC=C2)O)CCF)O; C[C@]1(O)[C@@H](CCF)C
    (=O)N[C@]1(C=O)[C@@H](O)[C@H]2CCCC=C2; O
    =CC1(NC(=O)C(C1(O)C)CCF)C(O)C2C=CCCC2; C
    [C]1(O)[CH](CCF)C(=O)N[C]1(C=O)[CH](O)[C
    H]2CCCC=C2; CC1(C(C(=O)NC1(C=O)C(C2CCCC=
    C2)O)CCF)O    		 (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde
    22293
    GPU
    CHEMBL2041082
    ZINC000084671506    		 1 C10 H13 Br N2 O7 InChI=1S/C10H13BrN2O7/c11
    -3-1-13(10(19)12-8(3)18)9
    -7(17)6(16)5(15)4(2-14)20
    -9/h1,4-7,9,14-17H,2H2,(H
    ,12,18,19)/t4-,5-,6+,7-,9
    -/m1/s1;
    QNNGZNNVDUDIOK-XSEHCYKFSA-N    		 OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=C(
    Br)C(=O)NC2=O; C1=C(C(=O)NC(=O)N1[C@H]2[
    C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Br;
    OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1
    O)N2C=C(Br)C(=O)NC2=O; BrC1=CN(C(=O)NC1=
    O)C2OC(C(O)C(O)C2O)CO; C1=C(C(=O)NC(=O)N
    1C2C(C(C(C(O2)CO)O)O)O)Br    		 5-bromo-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione;
    5-bromo-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione;
    5-bromo-1-(D-glucosyl)pyrimidine-2,4(1H,3H)-dione;
    5-bromo-1-(glucosyl)pyrimidine-2,4(1H,3H)-dione
    22294
    GPV
    CHEMBL2040853
    ZINC000084671507    		 1 C10 H13 I N2 O7 InChI=1S/C10H13IN2O7/c11-
    3-1-13(10(19)12-8(3)18)9-
    7(17)6(16)5(15)4(2-14)20-
    9/h1,4-7,9,14-17H,2H2,(H,
    12,18,19)/t4-,5-,6+,7-,9-
    /m1/s1;
    NKQVRMXGIOZKRJ-XSEHCYKFSA-N    		 C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)O)O)
    I; C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H](
    [C@@H]([C@H](O2)CO)O)O)O)I; IC1=CN(C(=O)
    NC1=O)C2OC(C(O)C(O)C2O)CO; OC[C@H]1O[C@H
    ]([C@H](O)[C@@H](O)[C@@H]1O)N2C=C(I)C(=O
    )NC2=O; OC[CH]1O[CH]([CH](O)[CH](O)[CH]1
    O)N2C=C(I)C(=O)NC2=O    		 1-(beta-D-glucopyranosyl)-5-iodopyrimidine-2,4(1H,3H)-dione;
    1-(beta-D-glucosyl)-5-iodopyrimidine-2,4(1H,3H)-dione;
    1-(D-glucosyl)-5-iodopyrimidine-2,4(1H,3H)-dione;
    1-(glucosyl)-5-iodopyrimidine-2,4(1H,3H)-dione
    22295
    GPW
    ZINC000095920631    		 1 C11 H13 F3 N2 O7 InChI=1S/C11H13F3N2O7/c12
    -11(13,14)3-1-16(10(22)15
    -8(3)21)9-7(20)6(19)5(18)
    4(2-17)23-9/h1,4-7,9,17-2
    0H,2H2,(H,15,21,22)/t4-,5
    -,6+,7-,9-/m1/s1;
    NADUQTKHANBUDE-XSEHCYKFSA-N    		 C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)O)O)
    C(F)(F)F; OC[C@H]1O[C@H]([C@H](O)[C@@H](
    O)[C@@H]1O)N2C=C(C(=O)NC2=O)C(F)(F)F; FC
    (F)(F)C1=CN(C(=O)NC1=O)C2OC(C(O)C(O)C2O)
    CO; OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2
    C=C(C(=O)NC2=O)C(F)(F)F; C1=C(C(=O)NC(=O
    )N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO
    )O)O)O)C(F)(F)F    		 1-(beta-D-glucopyranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione;
    1-(beta-D-glucosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione;
    1-(D-glucosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione;
    1-(glucosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
    22296
    GPX
    DB02836
    ZINC000016051591    		 2 C10 H14 N5 O13 P3 InChI=1S/C10H14N5O13P3/c1
    1-10-13-7-4(8(16)14-10)12
    -2-15(7)9-6-5(26-31(22,23
    )27-6)3(25-9)1-24-30(20,2
    1)28-29(17,18)19/h2-3,5-6
    ,9H,1H2,(H,20,21)(H,22,23
    )(H2,17,18,19)(H3,11,13,1
    4,16)/t3-,5-,6-,9-/m1/s1;
    NGYWTCOGOZELRS-UUOKFMHZSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@
    @](O)(=O)O[P](O)(O)=O)[C@H]4O[P@@](O)(=O
    )O[C@@H]34; c1nc2c(n1[C@H]3[C@H]4[C@@H](
    [C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@@](
    =O)(O4)O)N=C(NC2=O)N; c1nc2c(n1C3C4C(C(O
    3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O4)O)N=C(N
    C2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](
    CO[P](O)(=O)O[P](O)(O)=O)[CH]4O[P](O)(=O
    )O[CH]34; O=P3(OC4C(OC(n1c2N=C(N)NC(=O)c
    2nc1)C4O3)COP(=O)(O)OP(=O)(O)O)O    		 GUANOSINE 5'-DIPHOSPHATE 2':3'-CYCLIC MONOPHOSPHATE
    22297
    GQ0    		 1 C13 H15 Cl N6 O InChI=1S/C13H15ClN6O/c1-1
    3(2,3)8-4-7(21-19-8)5-20-
    6-16-9-10(14)17-12(15)18-
    11(9)20/h4,6H,5H2,1-3H3,(
    H2,15,17,18);
    CGJOKOZLBRUKIK-UHFFFAOYSA-N    		 CC(C)(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N; CC
    (C)(C)c1cc(Cn2cnc3c(Cl)nc(N)nc23)on1    		 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine
    22298
    GQ1
    ZINC000135965335    		 5 C6 H12 O9 S InChI=1S/C6H12O9S/c7-1-2-
    5(15-16(11,12)13)3(8)4(9)
    6(10)14-2/h2-10H,1H2,(H,1
    1,12,13)/t2-,3-,4-,5-,6+/
    m1/s1;
    LOTQRUGOUKUSEY-UKFBFLRUSA-N    		 C(C1C(C(C(C(O1)O)O)O)OS(=O)(=O)O)O; OC[C
    H]1O[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O
    )=O; O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO; C([
    C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)
    OS(=O)(=O)O)O; OC[C@H]1O[C@H](O)[C@H](O)
    [C@@H](O)[C@@H]1O[S](O)(=O)=O    		 4-O-sulfo-alpha-D-glucopyranose;
    4-O-sulfo-alpha-D-glucose;
    4-O-sulfo-D-glucose;
    4-O-sulfo-glucose
    22299
    GQ3    		 1 C13 H17 Cl N6 O InChI=1S/C13H17ClN6O/c1-1
    3(2,3)8-4-7(21-19-8)5-20-
    6-16-9-10(14)17-12(15)18-
    11(9)20/h6-7H,4-5H2,1-3H3
    ,(H2,15,17,18)/t7-/m1/s1;
    ZOBMBYDYMBXBEP-SSDOTTSWSA-N    		 CC(C)(C)C1=NO[CH](Cn2cnc3c(Cl)nc(N)nc23)
    C1; CC(C)(C)C1=NO[C@@H](Cn2cnc3c(Cl)nc(N
    )nc23)C1; CC(C)(C)C1=NOC(C1)Cn2cnc3c2nc(
    nc3Cl)N    		 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine
    22300
    GQ5
    CHEMBL4552313    		 1 C22 H24 N6 O InChI=1S/C22H24N6O/c1-14-
    4-3-9-28(14)13-21-25-18-7
    -6-17(11-19(18)26-21)24-2
    2(29)15-5-8-20-16(10-15)1
    2-23-27(20)2/h5-8,10-12,1
    4H,3-4,9,13H2,1-2H3,(H,24
    ,29)(H,25,26)/t14-/m0/s1;
    QGNDVASWIHEXCL-AWEZNQCLSA-N    		 C[C@H]1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4c
    cc5c(c4)cnn5C; CC1CCCN1Cc2[nH]c3cc(ccc3n
    2)NC(=O)c4ccc5c(c4)cnn5C; C[CH]1CCCN1Cc2
    [nH]c3cc(NC(=O)c4ccc5n(C)ncc5c4)ccc3n2;
    C[C@H]1CCCN1Cc2[nH]c3cc(NC(=O)c4ccc5n(C)
    ncc5c4)ccc3n2    		 1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide
    22301
    GQ6    		 2 C13 H12 Cl N5 InChI=1S/C13H12ClN5/c1-8-
    2-4-9(5-3-8)6-19-7-16-10-
    11(14)17-13(15)18-12(10)1
    9/h2-5,7H,6H2,1H3,(H2,15,
    17,18);
    HKQJORIVDVAGIN-UHFFFAOYSA-N    		 Cc1ccc(cc1)Cn2cnc3c2nc(nc3Cl)N; Cc1ccc(C
    n2cnc3c(Cl)nc(N)nc23)cc1    		 6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine
    22302
    GQ7
    ZINC000000188736    		 3 C11 H11 N O2 InChI=1S/C11H11NO2/c12-9-
    3-1-8(2-4-9)11-6-5-10(7-1
    3)14-11/h1-6,13H,7,12H2;
    PGRYIWSQXZECGD-UHFFFAOYSA-N    		 Nc1ccc(cc1)c2oc(CO)cc2; c1cc(ccc1c2ccc(o
    2)CO)N    		 [5-(4-aminophenyl)furan-2-yl]methanol
    22303
    GQ8    		 1 C24 H26 N6 O InChI=1S/C24H26N6O/c1-15-
    3-2-10-29(15)14-23-27-20-
    8-5-18(12-21(20)28-23)26-
    24(31)16-4-9-22-17(11-16)
    13-25-30(22)19-6-7-19/h4-
    5,8-9,11-13,15,19H,2-3,6-
    7,10,14H2,1H3,(H,26,31)(H
    ,27,28)/t15-/m0/s1;
    FTNYJPRHIRILOI-HNNXBMFYSA-N    		 CC1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c
    (c4)cnn5C6CC6; C[C@H]1CCCN1Cc2[nH]c3cc(N
    C(=O)c4ccc5n(ncc5c4)C6CC6)ccc3n2; C[C@H]
    1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c(c
    4)cnn5C6CC6; C[CH]1CCCN1Cc2[nH]c3cc(NC(=
    O)c4ccc5n(ncc5c4)C6CC6)ccc3n2    		 1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide
    22304
    GQ9    		 1 C15 H11 Cl N6 O InChI=1S/C15H11ClN6O/c16-
    12-11-13(21-15(17)20-12)2
    2(8-19-11)7-10-6-18-14(23
    -10)9-4-2-1-3-5-9/h1-6,8H
    ,7H2,(H2,17,20,21);
    UYTXWVZDCZPGRX-UHFFFAOYSA-N    		 Nc1nc(Cl)c2ncn(Cc3oc(nc3)c4ccccc4)c2n1;
    c1ccc(cc1)c2ncc(o2)Cn3cnc4c3nc(nc4Cl)N    		 6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine
    22305
    GQA
    CHEMBL1650621    		 1 C6 H7 N O S InChI=1S/C6H7NOS/c1-7-4-2
    -3-5(8)6(7)9/h2-4,8H,1H3;
    SQEXIHSVVCJZTQ-UHFFFAOYSA-N    		 CN1C=CC=C(O)C1=S; CN1C=CC=C(C1=S)O 1-methyl-3-oxidanyl-pyridine-2-thione
    22306
    GQB    		 2 C17 H16 N4 O S InChI=1S/C17H16N4OS/c18-1
    7-21-13-6-5-10(7-15(13)23
    -17)9-19-16(22)14-8-11-3-
    1-2-4-12(11)20-14/h1-8,20
    -21,23H,9,18H2,(H,19,22);
    GAUGHKFDIIXTPX-UHFFFAOYSA-N    		 c1ccc2c(c1)cc([nH]2)C(=O)NCc3ccc4c(c3)S=
    C(N4)N; NC1=[SH]c2cc(CNC(=O)c3[nH]c4cccc
    c4c3)ccc2N1    		 ~{N}-[(2-azanyl-3~{H}-1,3-benzothiazol-6-yl)methyl]-1~{H}-indole-2-carboxamide
    22307
    GQC    		 1 C22 H29 Br N3 InChI=1S/C22H28BrN3/c1-17
    -3-2-4-19(13-17)18-5-7-21
    (8-6-18)25-9-11-26(12-10-
    25)22-14-20(23)15-24-16-2
    2/h2-4,13-16,18,21H,5-12H
    2,1H3/p+1/t18-,21-;
    GPGOZHVXQXMXPF-XGAFWQRZSA-O    		 Cc1cccc(c1)[CH]2CC[CH](CC2)[NH+]3CCN(CC3
    )c4cncc(Br)c4; Cc1cccc(c1)[C@@H]2CC[C@H]
    (CC2)[NH+]3CCN(CC3)c4cncc(Br)c4; Cc1cccc
    (c1)C2CCC(CC2)[NH+]3CCN(CC3)c4cc(cnc4)Br    		 1-(5-bromanylpyridin-3-yl)-4-[4-(3-methylphenyl)cyclohexyl]piperazin-4-ium
    22308
    GQD
    CHEMBL3775378
    ZINC000263621175    		 1 C23 H27 N O3 InChI=1S/C23H27NO3/c1-15(
    2)14-24-16(3)12-19-13-20(
    25)9-10-21(19)23(24)18-7-
    4-17(5-8-18)6-11-22(26)27
    /h4-11,13,15-16,23,25H,12
    ,14H2,1-3H3,(H,26,27)/b11
    -6+/t16-,23-/m1/s1;
    WHZIOQODOSOYPX-DGIIRHPGSA-N    		 C[C@@H]1Cc2cc(ccc2[C@H](N1CC(C)C)c3ccc(c
    c3)/C=C/C(=O)O)O; CC1Cc2cc(ccc2C(N1CC(C)
    C)c3ccc(cc3)C=CC(=O)O)O; CC(C)CN1[C@H](C
    )Cc2cc(O)ccc2[C@H]1c3ccc(\C=C\C(O)=O)cc3
    ; CC(C)CN1[CH](C)Cc2cc(O)ccc2[CH]1c3ccc(
    C=CC(O)=O)cc3    		 (E)-3-[4-[(1R,3R)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid
    22309
    GQE
    CHEMBL3798870
    ZINC000653852853    		 4 C15 H14 N2 O4 InChI=1S/C15H14N2O4/c1-21
    -13-8-7-11(15(19)17-20)9-
    12(13)16-14(18)10-5-3-2-4
    -6-10/h2-9,20H,1H3,(H,16,
    18)(H,17,19);
    XJRKOVTYPFIMNR-UHFFFAOYSA-N    		 COc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO 3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide
    22310
    GQF
    CHEMBL5172880    		 2 C19 H26 N4 O S InChI=1S/C19H26N4OS/c1-12
    -16(13(2)24)17(14-5-3-4-6
    -14)18(21-12)15-11-25-19(
    22-15)23-9-7-20-8-10-23/h
    11,14,20-21H,3-10H2,1-2H3;
    HIQSGTMYVPXYRT-UHFFFAOYSA-N    		 CC(=O)c1c(C)[nH]c(c2csc(n2)N3CCNCC3)c1C4
    CCCC4; Cc1c(c(c([nH]1)c2csc(n2)N3CCNCC3)
    C4CCCC4)C(=O)C    		 1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone
    22311
    GQG
    CHEMBL4802958
    ZINC000007750211    		 1 C20 H21 N2 InChI=1S/C20H21N2/c1-21(2
    )20-12-14-22(15-13-20)16-
    17-8-10-19(11-9-17)18-6-4
    -3-5-7-18/h3-15H,16H2,1-2
    H3/q+1;
    IPMPOJHIUNHPOG-UHFFFAOYSA-N    		 CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccccc3; C
    N(C)c1cc[n+](Cc2ccc(cc2)c3ccccc3)cc1; N(
    c1cc[n+](cc1)Cc3ccc(c2ccccc2)cc3)(C)C    		 N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine
    22312
    GQH    		 16 C30 H43 N7 O5 S InChI=1S/C30H43N7O5S/c1-2
    0(2)16-26(35-30(40)27(36-
    37-32)18-22-8-6-5-7-9-22)
    29(39)33-21(3)28(38)34-25
    (14-15-43(4,41)42)17-23-1
    0-12-24(19-31)13-11-23/h5
    -13,20-21,25-27H,14-19,31
    H2,1-4H3,(H,33,39)(H,34,3
    8)(H,35,40)/t21-,25+,26-,
    27-/m0/s1;
    YICZFGYCCYPNLS-BECWTDFISA-N    		 C[C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(
    cc1)CN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc
    2ccccc2)N=[N+]=[N-]; CC(C)C[C@H](NC(=O)[
    C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](
    C)C(=O)N[C@H](CC[S](C)(=O)=O)Cc2ccc(CN)c
    c2; CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)N=[N
    +]=[N-])C(=O)N[CH](C)C(=O)N[CH](CC[S](C)
    (=O)=O)Cc2ccc(CN)cc2; CC(C)CC(C(=O)NC(C)
    C(=O)NC(CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O
    )C(Cc2ccccc2)N=[N+]=[N-]    		 (2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
    22313
    GQI    		 0 C5 H8 N2 O5 S InChI=1S/C5H8N2O5S/c6-3(5
    (10)11)2-13-12-7-1-4(8)9/
    h1,3H,2,6H2,(H,8,9)(H,10,
    11)/b7-1+/t3-/m0/s1;
    UKPHWYCUZNYAML-COCXTYOSSA-N    		 C(C(C(=O)O)N)SON=CC(=O)O; C([C@@H](C(=O)
    O)N)SO/N=C/C(=O)O; N[CH](CSON=CC(O)=O)C(
    O)=O; N[C@@H](CSO/N=C/C(O)=O)C(O)=O    		 (2R)-2-azanyl-3-[(E)-(2-oxidanyl-2-oxidanylidene-ethylidene)amino]oxysulfanyl-propanoic acid
    22314
    GQJ
    ZINC000001393275    		 7 C11 H13 N O5 InChI=1S/C11H13NO5/c1-16-
    11(15)8-5-7(13)6-12(8)10(
    14)9-3-2-4-17-9/h2-4,7-8,
    13H,5-6H2,1H3/t7-,8+/m1/s
    1;
    GVYWVRYDCMRUCE-SFYZADRCSA-N    		 COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c2occc2;
    COC(=O)[C@@H]1C[C@H](CN1C(=O)c2ccco2)O;
    COC(=O)C1CC(CN1C(=O)c2ccco2)O; COC(=O)[
    CH]1C[CH](O)CN1C(=O)c2occc2    		 methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
    22315
    GQK    		 18 C31 H44 N4 O7 InChI=1S/C31H44N4O7/c1-21
    (32-27(36)20-35-14-16-42-
    17-15-35)29(38)34-26(19-2
    3-10-12-24(41-4)13-11-23)
    30(39)33-25(28(37)31(2,3)
    40)18-22-8-6-5-7-9-22/h5-
    13,21,25-26,28,37,40H,14-
    20H2,1-4H3,(H,32,36)(H,33
    ,39)(H,34,38)/t21-,25-,26
    -,28+/m0/s1;
    JDPKNDJAIBLVBS-BZACYDOXSA-N    		 C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)
    N[C@@H](Cc2ccccc2)[C@H](C(C)(C)O)O)NC(=O
    )CN3CCOCC3; COc1ccc(C[C@H](NC(=O)[C@H](C
    )NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc3ccccc3)
    [C@@H](O)C(C)(C)O)cc1; CC(C(=O)NC(Cc1ccc
    (cc1)OC)C(=O)NC(Cc2ccccc2)C(C(C)(C)O)O)N
    C(=O)CN3CCOCC3; COc1ccc(C[CH](NC(=O)[CH]
    (C)NC(=O)CN2CCOCC2)C(=O)N[CH](Cc3ccccc3)
    [CH](O)C(C)(C)O)cc1    		 (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
    22316
    GQL
    ZINC000100035995    		 3 C21 H14 F2 N2 O2 InChI=1S/C21H14F2N2O2/c1-
    27-16-4-2-3-12(9-16)20(26
    )18-11-25-21-19(18)17(5-6
    -24-21)13-7-14(22)10-15(2
    3)8-13/h2-11,26H,1H3/b20-
    18-;
    HQMUBYFTZASKLP-ZZEZOPTASA-N    		 COc1cccc(c1)/C(=C/2\C=Nc3c2c(ccn3)c4cc(c
    c(c4)F)F)/O; COc1cccc(c1)C(=C2C=Nc3c2c(c
    cn3)c4cc(cc(c4)F)F)O; COc1cccc(c1)C(O)=C
    2C=Nc3nccc(c4cc(F)cc(F)c4)c23; Fc4cc(c1c
    cnc2N=CC(\c12)=C(\O)c3cccc(OC)c3)cc(F)c4
    ; COc1cccc(c1)/C(O)=C/2C=Nc3nccc(c4cc(F)
    cc(F)c4)c/23    		 (E)-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol
    22317
    GQM
    ZINC000000187296    		 4 C10 H10 N2 O2 InChI=1S/C10H10N2O2/c1-14
    -7-2-3-8(10(13)6-7)9-4-5-
    11-12-9/h2-6,13H,1H3,(H,1
    1,12);
    KCSNRNYLTIFFOZ-UHFFFAOYSA-N    		 COc1ccc(c(O)c1)c2cc[nH]n2; COc1ccc(c(c1)
    O)c2cc[nH]n2    		 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol
    22318
    GQN
    CHEMBL3800394
    ZINC000653841655    		 5 C21 H18 N2 O4 InChI=1S/C21H18N2O4/c1-27
    -19-12-11-17(21(25)23-26)
    13-18(19)22-20(24)16-9-7-
    15(8-10-16)14-5-3-2-4-6-1
    4/h2-13,26H,1H3,(H,22,24)
    (H,23,25);
    MRHRACKJKBOJEI-UHFFFAOYSA-N    		 COc1ccc(cc1NC(=O)c2ccc(cc2)c3ccccc3)C(=O
    )NO    		 4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide
    22319
    GQO    		 1 C19 H29 N5 O4 S InChI=1S/C19H29N5O4S/c1-4
    -15-17(18(20)23-19(21)22-
    15)28-12-7-11-27-16-9-6-5
    -8-14(16)10-13-29(25,26)2
    4(2)3/h5-6,8-9H,4,7,10-13
    H2,1-3H3,(H4,20,21,22,23);
    DTPFTDSQSPUKBC-UHFFFAOYSA-N    		 CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCS(=O)(=O)
    N(C)C; CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CC
    S(=O)(=O)N(C)C; CCc1nc(N)nc(N)c1OCCCOc2c
    cccc2CC[S](=O)(=O)N(C)C    		 2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N,N-dimethylethane-1-sulfonamide
    22320
    GQP
    CHEMBL1541796
    ZINC000000210331    		 5 C14 H11 F N2 InChI=1S/C14H11FN2/c15-12
    -7-5-11(6-8-12)9-17-10-16
    -13-3-1-2-4-14(13)17/h1-8
    ,10H,9H2;
    QLQZBMMYHJKDSH-UHFFFAOYSA-N    		 Fc1ccc(Cn2cnc3ccccc23)cc1; c1ccc2c(c1)nc
    n2Cc3ccc(cc3)F    		 1-[(4-fluorophenyl)methyl]benzimidazole
    22321
    GQQ    		 19 C29 H44 N6 O5 S InChI=1S/C29H44N6O5S/c1-1
    9(2)14-24(34-28(37)25(15-
    20(3)4)35-29(38)26-18-31-
    11-12-32-26)27(36)33-23(1
    0-13-41(5,39)40)16-21-6-8
    -22(17-30)9-7-21/h6-9,11-
    12,18-20,23-25H,10,13-17,
    30H2,1-5H3,(H,33,36)(H,34
    ,37)(H,35,38)/t23-,24+,25
    +/m1/s1;
    COXIIRGPLZWLTL-DSITVLBTSA-N    		 CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[
    C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)c2
    cnccn2; CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(C
    CS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)c2cnccn2
    ; CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c
    1cnccn1)C(=O)N[C@H](CC[S](C)(=O)=O)Cc2cc
    c(CN)cc2; CC(C)C[CH](NC(=O)[CH](CC(C)C)N
    C(=O)c1cnccn1)C(=O)N[CH](CC[S](C)(=O)=O)
    Cc2ccc(CN)cc2    		 ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrazine-2-carboxamide
    22322
    GQR
    ZINC000001484813    		 2 C9 H11 N InChI=1S/C9H11N/c10-9-6-5
    -7-3-1-2-4-8(7)9/h1-4,9H,
    5-6,10H2/t9-/m0/s1;
    XJEVHMGJSYVQBQ-VIFPVBQESA-N    		 c1ccc2c(c1)CC[C@@H]2N; N[C@H]1CCc2ccccc1
    2; N[CH]1CCc2ccccc12; c1ccc2c(c1)CCC2N    		 (1~{S})-2,3-dihydro-1~{H}-inden-1-amine
    22323
    GQS
    ZINC000000088862    		 1 C9 H8 F N3 S InChI=1S/C9H8FN3S/c1-6-12
    -13-9(14-6)11-8-4-2-3-7(1
    0)5-8/h2-5H,1H3,(H,11,13);
    YJCLSQDDYPKKDX-UHFFFAOYSA-N    		 Cc1sc(Nc2cccc(F)c2)nn1; n2nc(Nc1cccc(c1)
    F)sc2C; Cc1nnc(s1)Nc2cccc(c2)F    		 N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
    22324
    GQT    		 18 C30 H43 N7 O6 S InChI=1S/C30H43N7O6S/c1-2
    0(2)15-25(34-29(40)26(36-
    37-32)17-21-7-5-4-6-8-21)
    28(39)35-27(19-38)30(41)3
    3-24(13-14-44(3,42)43)16-
    22-9-11-23(18-31)12-10-22
    /h4-12,20,24-27,38H,13-19
    ,31H2,1-3H3,(H,33,41)(H,3
    4,40)(H,35,39)/t24-,25+,2
    6+,27+/m1/s1;
    NOFMETNXDOBCGZ-WKAQUBQDSA-N    		 CC(C)CC(C(=O)NC(CO)C(=O)NC(CCS(=O)(=O)C)
    Cc1ccc(cc1)CN)NC(=O)C(Cc2ccccc2)N=[N+]=[
    N-]; CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)N=[
    N+]=[N-])C(=O)N[CH](CO)C(=O)N[CH](CC[S](
    C)(=O)=O)Cc2ccc(CN)cc2; CC(C)C[C@H](NC(=
    O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@
    H](CO)C(=O)N[C@H](CC[S](C)(=O)=O)Cc2ccc(
    CN)cc2; CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=
    O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=
    O)[C@H](Cc2ccccc2)N=[N+]=[N-]    		 (2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
    22325
    GQU
    CHEMBL5267069    		 1 C24 H29 F2 N3 O4 InChI=1S/C24H29F2N3O4/c25
    -17-8-14(9-18(26)11-17)4-
    5-21(31)29-12-16-2-1-3-20
    (16)22(29)24(33)28-19(13-
    30)10-15-6-7-27-23(15)32/
    h8-9,11,13,15-16,19-20,22
    H,1-7,10,12H2,(H,27,32)(H
    ,28,33)/t15-,16-,19-,20-,
    22-/m0/s1;
    ZUAZJPLYYVHKFN-NAFADOBPSA-N    		 Fc1cc(F)cc(CCC(=O)N2C[CH]3CCC[CH]3[CH]2C
    (=O)N[CH](C[CH]4CCNC4=O)C=O)c1; Fc1cc(F)
    cc(CCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O
    )N[C@@H](C[C@@H]4CCNC4=O)C=O)c1; c1c(cc(
    cc1F)F)CCC(=O)N2CC3CCCC3C2C(=O)NC(CC4CCN
    C4=O)C=O; c1c(cc(cc1F)F)CCC(=O)N2C[C@@H]
    3CCC[C@@H]3[C@H]2C(=O)N[C@@H](C[C@@H]4CC
    NC4=O)C=O    		 (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide
    22326
    GQV
    CHEMBL52209
    ZINC000005783629    		 1 C6 H7 N O2 InChI=1S/C6H7NO2/c1-7-4-2
    -3-5(8)6(7)9/h2-4,8H,1H3;
    QUKDWRYJPHUXQR-UHFFFAOYSA-N    		 CN1C=CC=C(O)C1=O; CN1C=CC=C(C1=O)O 1-methyl-3-oxidanyl-pyridin-2-one
    22327
    GQW
    CHEMBL4160522    		 4 C16 H11 Cl N2 O3 S InChI=1S/C16H11ClN2O3S/c1
    7-12-5-4-10(15(20)19-22)8
    -13(12)18-16(21)11-3-1-2-
    9-6-7-23-14(9)11/h1-8,22H
    ,(H,18,21)(H,19,20);
    FRUVCGVXUWSDQY-UHFFFAOYSA-N    		 c1cc2ccsc2c(c1)C(=O)Nc3cc(ccc3Cl)C(=O)NO
    ; ONC(=O)c1ccc(Cl)c(NC(=O)c2cccc3ccsc23)
    c1    		 ~{N}-[2-chloranyl-5-(oxidanylcarbamoyl)phenyl]-1-benzothiophene-7-carboxamide
    22328
    GQX
    CHEMBL5192710    		 3 C13 H15 N5 O S InChI=1S/C13H15N5OS/c1-6-
    10-7(3-2-4-9(10)19)11(16-
    6)8-5-20-13(17-8)18-12(14
    )15/h5,16H,2-4H2,1H3,(H4,
    14,15,17,18);
    KCVACUMTAXEALK-UHFFFAOYSA-N    		 Cc1[nH]c(c2CCCC(=O)c12)c3csc(N=C(N)N)n3;
    Cc1c2c(c([nH]1)c3csc(n3)N=C(N)N)CCCC2=O    		 2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine
    22329
    GQY
    ZINC000000393736    		 1 C11 H16 N2 O2 InChI=1S/C11H16N2O2/c1-14
    -11-8-9(2-3-10(11)12)13-4
    -6-15-7-5-13/h2-3,8H,4-7,
    12H2,1H3;
    BQTMHUUWYHEPNQ-UHFFFAOYSA-N    		 COc1cc(ccc1N)N2CCOCC2 2-methoxy-4-morpholin-4-yl-aniline
    22330
    GQZ
    CHEMBL2381520
    ZINC000095921741    		 4 C14 H12 N2 O3 InChI=1S/C14H12N2O3/c17-1
    3(15-12-7-2-1-3-8-12)10-5
    -4-6-11(9-10)14(18)16-19/
    h1-9,19H,(H,15,17)(H,16,1
    8);
    NXHPVXNYPQJIOB-UHFFFAOYSA-N    		 ONC(=O)c1cccc(c1)C(=O)Nc2ccccc2; c1ccc(c
    c1)NC(=O)c2cccc(c2)C(=O)NO    		 ~{N}1-oxidanyl-~{N}3-phenyl-benzene-1,3-dicarboxamide
    22331
    GR0    		 0 C20 H35 O4 P InChI=1S/C20H35O4P/c1-17(
    2)9-6-10-18(3)11-7-12-19(
    4)13-8-14-20(5)15-16-24-2
    5(21,22)23/h9,11,13,15H,6
    -8,10,12,14,16H2,1-5H3,(H
    2,21,22,23)/b18-11+,19-13
    ?,20-15?;
    VHUBNUSXPIJYSG-OZOSFKGRSA-N    		 CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C
    )C; CC(=CCC/C(=C/CCC(=CCCC(=CCOP(=O)(O)O
    )C)C)/C)C; CC(C)=CCCC(C)=CCCC(C)=CCCC(C)
    =CCO[P](O)(O)=O; CC(C)=CCCC(/C)=C/CC\C(C
    )=C/CCC(/C)=C/CO[P](O)(O)=O    		 GERANYLGERANYL MONOPHOSPHATE;
    (10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl dihydrogen phosphate
    22332
    GR1
    ZINC000031976941    		 1 C27 H35 N3 O4 InChI=1S/C27H35N3O4/c1-3-
    30(4-2)26(32)19-9-7-8-17(
    14-19)18-12-13-21-20(15-1
    8)16-23(31)25(21)22(27(33
    )34)10-5-6-11-24(28)29/h7
    -9,12-15,22-23,25,31H,3-6
    ,10-11,16H2,1-2H3,(H3,28,
    29)(H,33,34)/t22-,23+,25-
    /m1/s1;
    VACZRUKFUJTPNR-GIFXNVAJSA-N    		 CCN(CC)C(=O)c1cccc(c1)c2ccc3c(c2)C[C@@H]
    ([C@H]3[C@@H](CCCCC(=N)N)C(=O)O)O; CCN(C
    C)C(=O)c1cccc(c1)c2ccc3c(c2)CC(C3C(CCCCC
    (=N)N)C(=O)O)O; CCN(CC)C(=O)c1cccc(c1)c2
    ccc3[CH]([CH](O)Cc3c2)[CH](CCCCC(N)=N)C(
    O)=O; CCN(CC)C(=O)c1cccc(c1)c2ccc3[C@@H]
    ([C@@H](O)Cc3c2)[C@@H](CCCCC(N)=N)C(O)=O
    ; O=C(N(CC)CC)c3cc(c1cc2c(cc1)C(C(C(=O)O
    )CCCCC(=[N@H])N)C(O)C2)ccc3    		 6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL-PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACID;
    GR179849
    22333
    GR2
    CHEMBL2270922
    ZINC000034499772    		 1 C17 H14 O5 InChI=1S/C17H14O5/c1-9-6-
    14(21-16(9)18)20-8-13-12-
    7-10-4-2-3-5-11(10)15(12)
    22-17(13)19/h2-6,8,12,14-
    15H,7H2,1H3/b13-8+/t12-,1
    4-,15-/m1/s1;
    XHSDUVBUZOUAOQ-WJQMYRPNSA-N    		 CC1=C[CH](OC=C2[CH]3Cc4ccccc4[CH]3OC2=O)
    OC1=O; CC1=C[C@H](O\C=C2/[C@H]3Cc4ccccc4
    [C@H]3OC2=O)OC1=O; CC1=CC(OC1=O)OC=C2C3C
    c4ccccc4C3OC2=O; CC1=C[C@@H](OC1=O)O/C=C
    /2\[C@H]3Cc4ccccc4[C@H]3OC2=O; c12CC3C(c
    1cccc2)OC(=O)C3=[C@H]OC4C=C(C)C(=O)O4    		 (3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one
    22334
    GR3
    ZINC000037858498    		 2 C32 H46 O7 InChI=1S/C32H46O7/c1-18(2
    )14-21(35)15-20(17-33)27-
    24(36)16-31(6)23-8-9-25-2
    9(4,22(23)10-13-30(27,31)
    5)12-11-26(39-19(3)34)32(
    25,7)28(37)38/h8,14,17,20
    ,22,24-27,36H,9-13,15-16H
    2,1-7H3,(H,37,38)/t20-,22
    -,24-,25+,26+,27+,29+,30-
    ,31+,32-/m0/s1;
    MKGUGMKLWZNKQT-DWJUSYOASA-N    		 CC(=CC(=O)C[C@@H](C=O)[C@@H]1[C@H](C[C@]
    2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@
    H]([C@@]4(C)C(=O)O)OC(=O)C)C)C)C)O)C; CC
    (C)=CC(=O)C[CH](C=O)[CH]1[CH](O)C[C]2(C)
    C3=CC[CH]4[C](C)(CC[CH](OC(C)=O)[C]4(C)C
    (O)=O)[CH]3CC[C]12C; O=C(\C=C(/C)C)CC(C=
    O)C4C3(CCC1C(=CCC2C1(C)CCC(OC(=O)C)C2(C(
    =O)O)C)C3(C)CC4O)C; CC(=CC(=O)CC(C=O)C1C
    (CC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C(=O)O)OC
    (=O)C)C)C)C)O)C; CC(C)=CC(=O)C[C@@H](C=O
    )[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@@H]4[C
    @](C)(CC[C@@H](OC(C)=O)[C@@]4(C)C(O)=O)[
    C@H]3CC[C@@]12C    		 3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID
    22335
    GR4
    ZINC000098208966    		 1 C38 H56 O14 InChI=1S/C38H56O14/c1-18(
    2)11-21(43)12-20(15-39)29
    -24(44)14-38(17-41)22-7-8
    -26-35(4,23(22)13-27(45)3
    7(29,38)6)10-9-28(50-19(3
    )42)36(26,5)34(49)52-33-3
    2(48)31(47)30(46)25(16-40
    )51-33/h7,11,15,20,23-33,
    40-41,44-48H,8-10,12-14,1
    6-17H2,1-6H3/t20-,23-,24-
    ,25-,26+,27-,28+,29+,30-,
    31+,32-,33+,35+,36-,37-,3
    8-/m0/s1;
    ICEIDITWEARXBX-KIWBXHNRSA-N    		 CC(C)=CC(=O)C[C@@H](C=O)[C@@H]1[C@@H](O)
    C[C@]2(CO)C3=CC[C@@H]4[C@](C)(CC[C@@H](O
    C(C)=O)[C@@]4(C)C(=O)O[C@H]5O[C@@H](CO)[
    C@H](O)[C@@H](O)[C@@H]5O)[C@H]3C[C@H](O)
    [C@@]12C; CC(=CC(=O)C[C@@H](C=O)[C@@H]1[
    C@H](C[C@]2([C@]1([C@H](C[C@H]3C2=CC[C@@
    H]4[C@@]3(CC[C@H]([C@@]4(C)C(=O)O[C@@H]5
    [C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O)OC
    (=O)C)C)O)C)CO)O)C; O=C(OC1OC(C(O)C(O)C1
    O)CO)C5(C)C4CC=C2C(CC(O)C3(C)C(C(C=O)CC(
    =O)\C=C(/C)C)C(O)CC23CO)C4(C)CCC5OC(=O)C
    ; CC(=CC(=O)CC(C=O)C1C(CC2(C1(C(CC3C2=CC
    C4C3(CCC(C4(C)C(=O)OC5C(C(C(C(O5)CO)O)O)
    O)OC(=O)C)C)O)C)CO)O)C; CC(C)=CC(=O)C[CH
    ](C=O)[CH]1[CH](O)C[C]2(CO)C3=CC[CH]4[C]
    (C)(CC[CH](OC(C)=O)[C]4(C)C(=O)O[CH]5O[C
    H](CO)[CH](O)[CH](O)[CH]5O)[CH]3C[CH](O)
    [C]12C    		 R3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-12,16-DIHYDROXY-14-HYDROXYMETHYL-4,10,13-TRIMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID IDOPYRANOSYL ESTER
    22336
    GR5    		 2 C34 H42 F2 N4 O7 S2 InChI=1S/C34H42F2N4O7S2/c
    1-18(2)15-40(49(43,44)24-
    5-6-26-30(14-24)48-33(38-
    26)37-23-3-4-23)16-28(41)
    27(11-19-9-21(35)13-22(36
    )10-19)39-34(42)47-29-12-
    20-17-46-32-31(20)25(29)7
    -8-45-32/h5-6,9-10,13-14,
    18,20,23,25,27-29,31-32,4
    1H,3-4,7-8,11-12,15-17H2,
    1-2H3,(H,37,38)(H,39,42)/
    t20-,25-,27-,28+,29-,31+,
    32+/m0/s1;
    NIZKZMLJMFCQSW-BIVIGLCRSA-N    		 CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(
    =O)O[C@H]2C[C@H]3CO[C@@H]4[C@H]3[C@H]2CC
    O4)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7; C
    C(C)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2CC3
    COC4C3C2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc(n6
    )NC7CC7; CC(C)CN(C[C@@H](O)[C@H](Cc1cc(F
    )cc(F)c1)NC(=O)O[C@H]2C[C@H]3CO[C@H]4OCC
    [C@@H]2[C@@H]34)[S](=O)(=O)c5ccc6nc(NC7C
    C7)sc6c5; s1c(nc6c1cc(S(=O)(N(CC(O)C(NC(
    OC2CC4C3C2CCOC3OC4)=O)Cc5cc(cc(c5)F)F)CC
    (C)C)=O)cc6)NC7CC7; CC(C)CN(C[CH](O)[CH]
    (Cc1cc(F)cc(F)c1)NC(=O)O[CH]2C[CH]3CO[CH
    ]4OCC[CH]2[CH]34)[S](=O)(=O)c5ccc6nc(NC7
    CC7)sc6c5
    22337
    GR6
    CHEMBL578406
    ZINC000049722570    		 2 C32 H42 N2 O9 S InChI=1S/C32H42N2O9S/c1-3
    9-24-13-14-30-28(20-24)40
    -17-10-5-3-2-4-9-16-34(44
    (30,37)38)21-27(35)26(19-
    23-11-7-6-8-12-23)33-32(3
    6)43-29-22-42-31-25(29)15
    -18-41-31/h3,5-8,11-14,20
    ,25-27,29,31,35H,2,4,9-10
    ,15-19,21-22H2,1H3,(H,33,
    36)/b5-3+/t25-,26-,27+,29
    -,31+/m0/s1;
    ZQJBDIZBNGQJDT-JZAADHNPSA-N    		 COc1ccc2c(OCC\C=C\CCCCN(C[C@@H](O)[C@H](
    Cc3ccccc3)NC(=O)O[C@H]4CO[C@H]5OCC[C@@H]
    45)[S]2(=O)=O)c1; COc1ccc2c(OCCC=CCCCCN(
    C[CH](O)[CH](Cc3ccccc3)NC(=O)O[CH]4CO[CH
    ]5OCC[CH]45)[S]2(=O)=O)c1; O=C(OC1C2CCOC
    2OC1)NC(Cc3ccccc3)C(O)CN5CCCCC=CCCOc4cc(
    OC)ccc4S5(=O)=O; COc1ccc2c(c1)OCC\C=C\CC
    CCN(S2(=O)=O)C[C@H]([C@H](Cc3ccccc3)NC(=
    O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O; COc1ccc2
    c(c1)OCCC=CCCCCN(S2(=O)=O)CC(C(Cc3ccccc3
    )NC(=O)OC4COC5C4CCO5)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[(7E)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate
    22338
    GR7
    CHEMBL4095133    		 2 C32 H42 N2 O9 S InChI=1S/C32H42N2O9S/c1-3
    9-25-12-13-30-24(19-25)21
    -40-16-9-4-2-3-8-15-34(44
    (30,37)38)20-28(35)27(18-
    23-10-6-5-7-11-23)33-32(3
    6)43-29-22-42-31-26(29)14
    -17-41-31/h4-7,9-13,19,26
    -29,31,35H,2-3,8,14-18,20
    -22H2,1H3,(H,33,36)/b9-4+
    /t26-,27-,28+,29-,31+/m0/
    s1;
    QVQZOHIOYHJWJV-RSNMJCISSA-N    		 COc1ccc2c(COCC=CCCCCN(C[CH](O)[CH](Cc3cc
    ccc3)NC(=O)O[CH]4CO[CH]5OCC[CH]45)[S]2(=
    O)=O)c1; COc1ccc2c(COC\C=C\CCCCN(C[C@@H]
    (O)[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@H]5
    OCC[C@@H]45)[S]2(=O)=O)c1; c2(cc1COCC=CC
    CCCN(S(c1cc2)(=O)=O)CC(O)C(NC(OC3COC4OCC
    C34)=O)Cc5ccccc5)OC; COc1ccc2c(c1)COCC=C
    CCCCN(S2(=O)=O)CC(C(Cc3ccccc3)NC(=O)OC4C
    OC5C4CCO5)O; COc1ccc2c(c1)COC/C=C/CCCCN(
    S2(=O)=O)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[
    C@H]4CO[C@@H]5[C@H]4CCO5)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7E)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3H)-yl]-1-phenylbutan-2-yl}carbamate
    22339
    GR8
    CHEMBL4214453    		 2 C34 H42 F2 N4 O7 S2 InChI=1S/C34H42F2N4O7S2/c
    1-18(2)15-40(49(43,44)24-
    5-6-26-30(14-24)48-33(38-
    26)37-23-3-4-23)16-28(41)
    27(11-19-9-21(35)13-22(36
    )10-19)39-34(42)47-29-12-
    20-17-46-32-31(20)25(29)7
    -8-45-32/h5-6,9-10,13-14,
    18,20,23,25,27-29,31-32,4
    1H,3-4,7-8,11-12,15-17H2,
    1-2H3,(H,37,38)(H,39,42)/
    t20-,25-,27+,28-,29-,31+,
    32+/m1/s1;
    NIZKZMLJMFCQSW-FQOBIZQLSA-N    		 s1c3c(nc1NC2CC2)ccc(c3)S(=O)(=O)N(CC(C(C
    c4cc(F)cc(c4)F)NC(=O)OC5CC7C6C5CCOC6OC7)
    O)CC(C)C; CC(C)CN(C[C@H]([C@H](Cc1cc(cc(
    c1)F)F)NC(=O)O[C@@H]2C[C@@H]3CO[C@H]4[C@
    @H]3[C@@H]2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc
    (n6)NC7CC7; CC(C)CN(CC(C(Cc1cc(cc(c1)F)F
    )NC(=O)OC2CC3COC4C3C2CCO4)O)S(=O)(=O)c5c
    cc6c(c5)sc(n6)NC7CC7; CC(C)CN(C[C@@H](O)
    [C@H](Cc1cc(F)cc(F)c1)NC(=O)O[C@@H]2C[C@
    @H]3CO[C@@H]4OCC[C@H]2[C@H]34)[S](=O)(=O
    )c5ccc6nc(NC7CC7)sc6c5; CC(C)CN(C[CH](O)
    [CH](Cc1cc(F)cc(F)c1)NC(=O)O[CH]2C[CH]3C
    O[CH]4OCC[CH]2[CH]34)[S](=O)(=O)c5ccc6nc
    (NC7CC7)sc6c5
    22340
    GR9
    CHEMBL2177161
    ZINC000034299752    		 2 C21 H23 N7 O3 S InChI=1S/C21H23N7O3S/c1-2
    7-9-11-28(12-10-27)32(30,
    31)17-6-4-15(5-7-17)18-14
    -24-20(22)19(26-18)21(29)
    25-16-3-2-8-23-13-16/h2-8
    ,13-14H,9-12H2,1H3,(H2,22
    ,24)(H,25,29);
    FHCSBLWRGCOVPT-UHFFFAOYSA-N    		 CN1CCN(CC1)[S](=O)(=O)c2ccc(cc2)c3cnc(N)
    c(n3)C(=O)Nc4cccnc4; CN1CCN(CC1)S(=O)(=O
    )c2ccc(cc2)c3cnc(c(n3)C(=O)Nc4cccnc4)N;
    O=S(=O)(c3ccc(c2nc(C(=O)Nc1cccnc1)c(nc2)
    N)cc3)N4CCN(C)CC4    		 3-AMINO-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE
    22341
    GRA
    ZINC000008551192    		 14 C26 H42 N7 O19 P3 S InChI=1S/C26H42N7O19P3S/c
    1-26(2,21(39)24(40)29-7-6
    -15(34)28-8-9-56-17(37)5-
    3-4-16(35)36)11-49-55(46,
    47)52-54(44,45)48-10-14-2
    0(51-53(41,42)43)19(38)25
    (50-14)33-13-32-18-22(27)
    30-12-31-23(18)33/h12-14,
    19-21,25,38-39H,3-11H2,1-
    2H3,(H,28,34)(H,29,40)(H,
    35,36)(H,44,45)(H,46,47)(
    H2,27,30,31)(H2,41,42,43)
    /t14-,19-,20-,21+,25-/m1/
    s1;
    SYKWLIJQEHRDNH-CKRMAKSASA-N    		 CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2
    cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O
    )NCCSC(=O)CCCC(=O)O)O; O=C(O)CCCC(=O)SCC
    NC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O
    )(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)
    (O)O; CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[
    C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc
    3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC
    (=O)CCCC(=O)O)O; CC(C)(CO[P](O)(=O)O[P](
    O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O
    )=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O
    )NCCSC(=O)CCCC(O)=O; CC(C)(CO[P@@](O)(=O
    )O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@
    @H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[C@@H]
    (O)C(=O)NCCC(=O)NCCSC(=O)CCCC(O)=O    		 glutaryl-coenzyme A
    22342
    GRB
    ZINC000013543247    		 0 C10 H13 Br N5 O8 P InChI=1S/C10H13BrN5O8P/c1
    1-9-13-3-6(14-10(12)15-7(
    3)19)16(9)8-5(18)4(17)2(2
    4-8)1-23-25(20,21)22/h2,4
    -5,8,17-18H,1H2,(H2,20,21
    ,22)(H3,12,14,15,19)/t2-,
    4-,5-,8-/m1/s1;
    SJLDUTNIPDQOCZ-UMMCILCDSA-N    		 C(C1C(C(C(O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O
    )O)OP(=O)(O)O; C([C@@H]1[C@H]([C@H]([C@@
    H](O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O)O)OP(=
    O)(O)O; NC1=Nc2n([CH]3O[CH](CO[P](O)(O)=
    O)[CH](O)[CH]3O)c(Br)nc2C(=O)N1; NC1=Nc2
    n([C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[
    C@H]3O)c(Br)nc2C(=O)N1; O=P(O)(O)OCC3OC(
    n2c(Br)nc1c2N=C(N)NC1=O)C(O)C3O    		 8-bromoguanosine 5'-(dihydrogen phosphate)
    22343
    GRC
    ZINC000098208967    		 1 C11 H17 Cl N5 O12 P3 InChI=1S/C11H17ClN5O12P3/
    c12-10(30(20,21)22)31(23,
    24)29-32(25,26)27-2-5-4(1
    8)1-6(28-5)17-3-14-7-8(17
    )15-11(13)16-9(7)19/h3-6,
    10,18H,1-2H2,(H,23,24)(H,
    25,26)(H2,20,21,22)(H3,13
    ,15,16,19)/t4-,5+,6+,10+/
    m0/s1;
    GBPRSSRXOIDBNV-AVAJSQPUSA-N    		 O=P(O)(O)C(Cl)P(=O)(O)OP(=O)(O)OCC3OC(n2
    cnc1c2N=C(N)NC1=O)CC3O; c1nc2c(n1C3CC(C(
    O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)Cl)O)O)N
    =C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH]3C[
    CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[CH](C
    l)[P](O)(O)=O)O3; NC1=Nc2n(cnc2C(=O)N1)[
    C@H]3C[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)
    (=O)[C@H](Cl)[P](O)(O)=O)O3; c1nc2c(n1[C
    @H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C
    @@H](P(=O)(O)O)Cl)O)O)N=C(NC2=O)N    		 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
    22344
    GRD
    ZINC000038970689    		 1 C27 H38 N8 O5 InChI=1S/C27H38N8O5/c1-4-
    19(22(36)26(38)29-11-8-12
    -35-16-32-21-23(28)30-15-
    31-24(21)35)33-25(37)20(1
    3-17(2)3)34-27(39)40-14-1
    8-9-6-5-7-10-18/h5-7,9-10
    ,15-17,19-20,22,36H,4,8,1
    1-14H2,1-3H3,(H,29,38)(H,
    33,37)(H,34,39)(H2,28,30,
    31)/t19-,20-,22-/m0/s1;
    JADHYPXMRTWESB-ONTIZHBOSA-N    		 CC[CH](NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc
    1)[CH](O)C(=O)NCCCn2cnc3c(N)ncnc23; CC[C
    @H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)
    [C@H](O)C(=O)NCCCn2cnc3c(N)ncnc23; CCC(C
    (C(=O)NCCCn1cnc2c1ncnc2N)O)NC(=O)C(CC(C)
    C)NC(=O)OCc3ccccc3; O=C(OCc1ccccc1)NC(C(
    =O)NC(CC)C(O)C(=O)NCCCn2c3ncnc(c3nc2)N)C
    C(C)C; CC[C@@H]([C@@H](C(=O)NCCCn1cnc2c1
    ncnc2N)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc3cc
    ccc3    		 benzyl (S)-1-((2S,3S)-1-(3-(6-amino-9H-purin-9-yl)propylamino)-2-hydroxy-1-oxopentan-3-ylamino)-4-methyl-1-oxopentan-2-ylcarbamate
    22345
    GRE
    CHEMBL454808
    ZINC000000388545    		 7 C7 H6 O4 InChI=1S/C7H6O4/c8-4-2-1-
    3-5(9)6(4)7(10)11/h1-3,8-
    9H,(H,10,11);
    AKEUNCKRJATALU-UHFFFAOYSA-N    		 O=C(O)c1c(O)cccc1O; c1cc(c(c(c1)O)C(=O)O
    )O; OC(=O)c1c(O)cccc1O    		 2,6-DIHYDROXYBENZOIC ACID
    22346
    GRF    		 1 C5 H12 N O7 P InChI=1S/C5H12NO7P/c6-5-4
    (8)3(7)2(13-5)1-12-14(9,1
    0)11/h2-5,7-8H,1,6H2,(H2,
    9,10,11)/t2-,3-,4-,5-/m1/
    s1;
    SKCBPEVYGOQGJN-TXICZTDVSA-N    		 N[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;
    C(C1C(C(C(O1)N)O)O)OP(=O)(O)O; C([C@@H]
    1[C@H]([C@H]([C@@H](O1)N)O)O)OP(=O)(O)O;
    N[C@@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[
    C@H]1O; O=P(O)(O)OCC1OC(N)C(O)C1O    		 5-O-phosphono-beta-D-ribofuranosylamine;
    5-O-phosphono-beta-D-ribosylamine;
    5-O-phosphono-D-ribosylamine;
    5-O-phosphono-ribosylamine
    22347
    GRG
    CHEMBL1229266
    ZINC000012495043    		 70 C20 H36 O7 P2 InChI=1S/C20H36O7P2/c1-17
    (2)9-6-10-18(3)11-7-12-19
    (4)13-8-14-20(5)15-16-26-
    29(24,25)27-28(21,22)23/h
    9,11,13,15H,6-8,10,12,14,
    16H2,1-5H3,(H,24,25)(H2,2
    1,22,23)/b18-11+,19-13+,2
    0-15+;
    OINNEUNVOZHBOX-QIRCYJPOSA-N    		 CC(C)=CCCC(/C)=C/CC\C(C)=C\CC\C(C)=C\CO[
    P](O)(=O)O[P](O)(O)=O; CC(C)=CCCC(C)=CCC
    C(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O;
    CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(
    O)O)C)C)C)C; CC(=CCC/C(=C/CC/C(=C/CC/C(=
    C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C; O=
    P(O)(O)OP(=O)(O)OC/C=C(/CC\C=C(/C)CC\C=C
    (/C)CC\C=C(/C)C)C    		 GERANYLGERANYL DIPHOSPHATE
    22348
    GRH    		 1 C21 H19 Cl N2 O4 S InChI=1S/C21H19ClN2O4S/c1
    -14(15-6-3-2-4-7-15)21(25
    )24-17-10-11-19(20(13-17)
    29(23,26)27)28-18-9-5-8-1
    6(22)12-18/h2-14H,1H3,(H,
    24,25)(H2,23,26,27)/t14-/
    m1/s1;
    QEACKKQHBTVOBS-CQSZACIVSA-N    		 C[C@H](c1ccccc1)C(=O)Nc2ccc(c(c2)S(=O)(=
    O)N)Oc3cccc(c3)Cl; C[CH](C(=O)Nc1ccc(Oc2
    cccc(Cl)c2)c(c1)[S](N)(=O)=O)c3ccccc3; C
    C(c1ccccc1)C(=O)Nc2ccc(c(c2)S(=O)(=O)N)O
    c3cccc(c3)Cl; C[C@@H](C(=O)Nc1ccc(Oc2ccc
    c(Cl)c2)c(c1)[S](N)(=O)=O)c3ccccc3    		 (2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide
    22349
    GRI
    ZINC000095921318    		 2 C15 H10 N2 O4 InChI=1S/C15H10N2O4/c1-21
    -11-6-5-8(7-18)12-14(11)1
    7-13-9(15(19)20)3-2-4-10(
    13)16-12/h2-7H,1H3,(H,19,
    20);
    NJJLLHHIAVHAEL-UHFFFAOYSA-N    		 COc1ccc(c2c1nc3c(cccc3n2)C(=O)O)C=O; O=C
    (O)c2c1nc3c(nc1ccc2)c(ccc3OC)C=O; COc1cc
    c(C=O)c2nc3cccc(C(O)=O)c3nc12    		 6-formyl-9-methoxyphenazine-1-carboxylic acid
    22350
    GRJ    		 2 C16 H25 N5 O15 P2 InChI=1S/C16H25N5O15P2/c1
    -4(22)11-8(24)10(26)15(34
    -11)35-38(30,31)36-37(28,
    29)32-2-5-7(23)9(25)14(33
    -5)21-3-18-6-12(21)19-16(
    17)20-13(6)27/h3-5,7-11,1
    4-15,22-26H,2H2,1H3,(H,28
    ,29)(H,30,31)(H3,17,19,20
    ,27)/t4-,5+,7+,8-,9+,10-,
    11+,14+,15-/m0/s1;
    MBFMULBITZROEC-MREAOPIZSA-N    		 C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H](O1)OP
    (=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@
    @H](O2)n3cnc4c3nc(nc4O)N)O)O)O)O)O; C[C@
    H](O)[C@H]1O[C@@H](O[P](O)(=O)O[P](O)(=O
    )OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c
    (O)nc(N)nc34)[C@@H](O)[C@@H]1O; CC(C1C(C
    (C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3c
    nc4c3nc(nc4O)N)O)O)O)O)O; C[CH](O)[CH]1O
    [CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](
    [CH](O)[CH]2O)n3cnc4c(O)nc(N)nc34)[CH](O
    )[CH]1O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[(1~{S})-1-oxidanylethyl]oxolan-2-yl] hydrogen phosphate
    22351
    GRK
    CHEMBL3799265
    ZINC000653851521    		 4 C16 H16 N2 O4 InChI=1S/C16H16N2O4/c1-22
    -14-8-7-12(16(20)18-21)10
    -13(14)17-15(19)9-11-5-3-
    2-4-6-11/h2-8,10,21H,9H2,
    1H3,(H,17,19)(H,18,20);
    DFZIVCDTMKHRDI-UHFFFAOYSA-N    		 COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO 4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide
    22352
    GRL
    CHEMBL254349
    ZINC000014954111    		 4 C29 H40 N2 O7 S InChI=1S/C29H40N2O7S/c1-2
    0(2)17-31(39(35,36)25-10-
    8-22(19-32)9-11-25)18-27(
    33)26(14-21-6-4-3-5-7-21)
    30-29(34)38-24-15-23-12-1
    3-37-28(23)16-24/h3-11,20
    ,23-24,26-28,32-33H,12-19
    H2,1-2H3,(H,30,34)/t23-,2
    4+,26-,27+,28+/m0/s1;
    VYBDPVQMILRSMK-GRXYLYAXSA-N    		 CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[C
    H]2C[CH]3CCO[CH]3C2)[S](=O)(=O)c4ccc(CO)
    cc4; CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)N
    C(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)[S](=O
    )(=O)c4ccc(CO)cc4; CC(C)CN(C[C@H]([C@H](
    Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H
    ]3C2)O)S(=O)(=O)c4ccc(cc4)CO; O=S(=O)(c1
    ccc(cc1)CO)N(CC(C)C)CC(O)C(NC(=O)OC3CC2C
    (OCC2)C3)Cc4ccccc4; CC(C)CN(CC(C(Cc1cccc
    c1)NC(=O)OC2CC3CCOC3C2)O)S(=O)(=O)c4ccc(
    cc4)CO    		 (3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE
    22353
    GRM
    CHEMBL1173044
    ZINC000053243440    		 4 C26 H28 N2 O3 InChI=1S/C26H28N2O3/c1-18
    (22-8-4-6-20-5-2-3-7-23(2
    0)22)28-13-11-21(12-14-28
    )26(29)27-16-19-9-10-24-2
    5(15-19)31-17-30-24/h2-10
    ,15,18,21H,11-14,16-17H2,
    1H3,(H,27,29)/t18-/m1/s1;
    IVXBCFLWMPMSAP-GOSISDBHSA-N    		 C[CH](N1CC[CH](CC1)C(=O)NCc2ccc3OCOc3c2)
    c4cccc5ccccc45; C[C@H](c1cccc2c1cccc2)N3
    CCC(CC3)C(=O)NCc4ccc5c(c4)OCO5; CC(c1ccc
    c2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc5c(c4)OC
    O5; C[C@@H](N1CC[C@@H](CC1)C(=O)NCc2ccc3
    OCOc3c2)c4cccc5ccccc45; O=C(NCc1ccc2OCOc
    2c1)C5CCN(C(c4c3ccccc3ccc4)C)CC5    		 N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
    22354
    GRN
    ZINC000008462000    		 0 C9 H11 N O2 InChI=1S/C9H11NO2/c1-9(10
    ,8(11)12)7-5-3-2-4-6-7/h2
    -6H,10H2,1H3,(H,11,12)/t9
    -/m1/s1;
    HTCSFFGLRQDZDE-SECBINFHSA-N    		 C[C@](N)(C(O)=O)c1ccccc1; CC(c1ccccc1)(C
    (=O)O)N; O=C(O)C(N)(c1ccccc1)C; C[C@@](c
    1ccccc1)(C(=O)O)N; C[C](N)(C(O)=O)c1cccc
    c1    		 2-phenyl-L-alanine
    22355
    GRO
    ZINC000000391878    		 5 C9 H10 O2 InChI=1S/C9H10O2/c1-7(9(1
    0)11)8-5-3-2-4-6-8/h2-7H,
    1H3,(H,10,11)/t7-/m1/s1;
    YPGCWEMNNLXISK-SSDOTTSWSA-N    		 CC(c1ccccc1)C(=O)O; C[C@H](c1ccccc1)C(=O
    )O; C[C@@H](C(O)=O)c1ccccc1; O=C(O)C(c1c
    cccc1)C; C[CH](C(O)=O)c1ccccc1    		 R-2-PHENYL-PROPRIONIC ACID
    22356
    GRP    		 0 C24 H34 N7 O18 P3 InChI=1S/C24H34N7O18P3/c1
    -9-17(33)12(11(4-26-9)6-4
    4-50(37,38)39)5-27-13-3-1
    4(32)23(46-10(13)2)48-52(
    42,43)49-51(40,41)45-7-15
    -18(34)19(35)22(47-15)31-
    8-28-16-20(31)29-24(25)30
    -21(16)36/h4-5,8,10,13-15
    ,18-19,22-23,32-35H,3,6-7
    H2,1-2H3,(H,40,41)(H,42,4
    3)(H2,37,38,39)(H3,25,29,
    30,36)/b27-5-/t10-,13+,14
    +,15-,18-,19-,22-,23-/m1/
    s1;
    NJFQSOKHMSGVAE-UQPWFEBUSA-N    		 C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]
    2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34
    )N)[CH](O)C[CH]1N=Cc5c(O)c(C)ncc5CO[P](O
    )(O)=O; Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\[C
    @H]2C[C@@H]([C@H](O[C@@H]2C)O[P@](=O)(O)
    O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H]
    (O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O; C[C@H]1
    O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C
    @H]([C@H](O)[C@@H]2O)n3cnc4C(=O)NC(=Nc34
    )N)[C@@H](O)C[C@@H]1N=Cc5c(O)c(C)ncc5CO[
    P](O)(O)=O; Cc1c(c(c(cn1)COP(=O)(O)O)C=N
    C2CC(C(OC2C)OP(=O)(O)OP(=O)(O)OCC3C(C(C(
    O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O; O=C5NC(=
    Nc1c5ncn1C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4
    OC(C(/N=C\c3c(cnc(c3O)C)COP(=O)(O)O)CC4O
    )C)O)O)N    		 [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,5S,6R)-3-hydroxy-5-{[(1Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate
    22357
    GRQ
    CHEMBL1080997
    ZINC000001529208    		 2 C10 H16 O InChI=1S/C10H16O/c1-9(2)5
    -4-6-10(3)7-8-11/h5,7-8H,
    4,6H2,1-3H3/b10-7+;
    WTEVQBCEXWBHNA-JXMROGBWSA-N    		 CC(C)=CCC/C(C)=C/C=O; CC(=CCC/C(=C/C=O)/
    C)C; CC(C)=CCCC(C)=CC=O; CC(=CCCC(=CC=O)
    C)C    		 Geranaldehyde
    22358
    GRR
    CHEMBL191060
    DB07842
    ZINC000013671697    		 1 C17 H18 O3 InChI=1S/C17H18O3/c1-2-13
    -8-10-15(11-9-13)20-16(17
    (18)19)12-14-6-4-3-5-7-14
    /h3-11,16H,2,12H2,1H3,(H,
    18,19)/t16-/m0/s1;
    CJMVTSLLWMPEKQ-INIZCTEOSA-N    		 CCc1ccc(cc1)O[C@@H](Cc2ccccc2)C(=O)O; O=
    C(O)C(Oc1ccc(cc1)CC)Cc2ccccc2; CCc1ccc(O
    [CH](Cc2ccccc2)C(O)=O)cc1; CCc1ccc(cc1)O
    C(Cc2ccccc2)C(=O)O; CCc1ccc(O[C@@H](Cc2c
    cccc2)C(O)=O)cc1    		 (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid
    22359
    GRT    		 19 C29 H41 N7 O5 S InChI=1S/C29H41N7O5S/c1-2
    0(2)15-25(34-29(39)26(35-
    36-31)17-21-7-5-4-6-8-21)
    28(38)32-19-27(37)33-24(1
    3-14-42(3,40)41)16-22-9-1
    1-23(18-30)12-10-22/h4-12
    ,20,24-26H,13-19,30H2,1-3
    H3,(H,32,38)(H,33,37)(H,3
    4,39)/t24-,25+,26+/m1/s1;
    POJZTOVJTGGZDY-ZNZIZOMTSA-N    		 CC(C)CC(C(=O)NCC(=O)NC(CCS(=O)(=O)C)Cc1c
    cc(cc1)CN)NC(=O)C(Cc2ccccc2)N=[N+]=[N-];
    CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)N=[N+]=
    [N-])C(=O)NCC(=O)N[CH](CC[S](C)(=O)=O)Cc
    2ccc(CN)cc2; CC(C)C[C@@H](C(=O)NCC(=O)N[
    C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C
    @H](Cc2ccccc2)N=[N+]=[N-]; CC(C)C[C@H](N
    C(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)NC
    C(=O)N[C@H](CC[S](C)(=O)=O)Cc2ccc(CN)cc2    		 (2~{S})-~{N}-[2-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
    22360
    GRV
    CHEMBL1381910
    ZINC000000217162    		 2 C13 H17 N3 O InChI=1S/C13H17N3O/c1-9(2
    )8-14-13(17)12-10(3)15-11
    -6-4-5-7-16(11)12/h4-7,9H
    ,8H2,1-3H3,(H,14,17);
    QQNPIZGIGPGFPW-UHFFFAOYSA-N    		 CC(C)CNC(=O)c1n2ccccc2nc1C; Cc1c(n2ccccc
    2n1)C(=O)NCC(C)C    		 2-methyl-~{N}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
    22361
    GRW    		 16 C31 H45 N7 O6 S InChI=1S/C31H45N7O6S/c1-2
    0(2)16-26(35-30(41)27(37-
    38-33)18-22-8-6-5-7-9-22)
    29(40)36-28(21(3)39)31(42
    )34-25(14-15-45(4,43)44)1
    7-23-10-12-24(19-32)13-11
    -23/h5-13,20-21,25-28,39H
    ,14-19,32H2,1-4H3,(H,34,4
    2)(H,35,41)(H,36,40)/t21-
    ,25-,26+,27-,28+/m1/s1;
    XLNBYEKPCUBUPH-GSQIWVKLSA-N    		 C[C@H]([C@@H](C(=O)N[C@H](CCS(=O)(=O)C)C
    c1ccc(cc1)CN)NC(=O)[C@H](CC(C)C)NC(=O)[C
    @@H](Cc2ccccc2)N=[N+]=[N-])O; CC(C)C[C@H
    ](NC(=O)[C@@H](Cc1ccccc1)N=[N+]=[N-])C(=
    O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC[S](C
    )(=O)=O)Cc2ccc(CN)cc2; CC(C)C[CH](NC(=O)
    [CH](Cc1ccccc1)N=[N+]=[N-])C(=O)N[CH]([C
    H](C)O)C(=O)N[CH](CC[S](C)(=O)=O)Cc2ccc(
    CN)cc2; CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(CC
    S(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)C(Cc2cccc
    c2)N=[N+]=[N-]    		 (2~{S})-~{N}-[(2~{S},3~{R})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{R})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
    22362
    GRX
    ZINC000098208969    		 2 C7 H14 F O8 P InChI=1S/C7H14FO8P/c8-7(1
    7(13,14)15)6-5(12)4(11)3(
    10)2(1-9)16-6/h2-7,9-12H,
    1H2,(H2,13,14,15)/t2-,3-,
    4+,5-,6-,7+/m1/s1;
    BUPRWODHUABASJ-GEGSFZHJSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[C
    @@H](F)P(=O)(O)O)O)O)O)O; OC[C@H]1O[C@H]
    ([C@H](O)[C@@H](O)[C@@H]1O)[C@@H](F)[P](
    O)(O)=O; C(C1C(C(C(C(O1)C(F)P(=O)(O)O)O)
    O)O)O; OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O
    )[CH](F)[P](O)(O)=O; O=P(O)(O)C(F)C1OC(C
    (O)C(O)C1O)CO    		 (1R)-1,5-anhydro-1-[(S)-fluoro(phosphono)methyl]-D-glucitol;
    (S)-1-beta-phosphonofluoromethylene-1-deoxy-D-glucopyranose
    22363
    GRY
    ZINC000000154213    		 3 C12 H14 N4 InChI=1S/C12H14N4/c1-8-7-
    9(2)15-12(14-8)16-11-5-3-
    10(13)4-6-11/h3-7H,13H2,1
    -2H3,(H,14,15,16);
    SFVBOQCTJBQABR-UHFFFAOYSA-N    		 Cc1cc(nc(n1)Nc2ccc(cc2)N)C; Cc1cc(C)nc(N
    c2ccc(N)cc2)n1    		 ~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
    22364
    GRZ
    CHEMBL4176696    		 6 C15 H10 Cl F N4 O3 InChI=1S/C15H10ClFN4O3/c1
    6-9-1-6-14(24-11-4-2-10(1
    7)3-5-11)13(7-9)21-8-12(1
    8-20-21)15(22)19-23/h1-8,
    23H,(H,19,22);
    NXLUFTCWMNFMML-UHFFFAOYSA-N    		 c1cc(ccc1Oc2ccc(cc2n3cc(nn3)C(=O)NO)Cl)F
    ; ONC(=O)c1cn(nn1)c2cc(Cl)ccc2Oc3ccc(F)c
    c3    		 1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide
    22365
    GS    		 0 C10 H14 N5 O6 P S InChI=1S/C10H14N5O6PS/c11
    -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/s1;
    PSIUGNOLTIFXCJ-KVQBGUIXSA-N    		 O=P(O)(S)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
    ; NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH]
    (CO[P](O)(S)=O)O3; c1nc2c(n1C3CC(C(O3)CO
    P(=O)(O)S)O)N=C(NC2=O)N; c1nc2c(n1[C@H]3
    C[C@@H]([C@H](O3)CO[P@](=O)(O)S)O)N=C(NC
    2=O)N; NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H]
    (O)[C@@H](CO[P@](O)(S)=O)O3    		 GUANOSINE-5'-THIO-MONOPHOSPHATE
    22366
    GS0    		 12 C55 H74 Mg N4 O6 InChI=1S/C55H75N4O6.Mg/c1
    -13-39-34(7)41-29-46-48(3
    8(11)60)36(9)43(57-46)27-
    42-35(8)40(52(58-42)50-51
    (55(63)64-12)54(62)49-37(
    10)44(59-53(49)50)28-45(3
    9)56-41)23-24-47(61)65-26
    -25-33(6)22-16-21-32(5)20
    -15-19-31(4)18-14-17-30(2
    )3;/h25,27-32,34-35,39-40
    ,51H,13-24,26H2,1-12H3,(H
    -,56,57,58,59,60,62);/q-1
    ;+2/p-1/b33-25+;/t31-,32-
    ,34?,35?,39?,40?,51+;/m1.
    /s1;
    DSJXIQQMORJERS-NDWDOOJPSA-M    		 CC[C@@H]1[C@H](C2=Cc3c(c(c4n3[Mg]56[N]2=
    C1C=C7N5C8=C([C@@H](C(=O)C8=C7C)C(=O)OC)
    C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(
    \C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C
    (=O)C)C; CC[C@@H]1[C@H](C)C2=Cc3n4[Mg][N
    @]5C(=CC1=N2)C(=C6C(=O)[C@@H](C(=O)OC)C(
    =C56)C7=NC(=Cc4c(C)c3C(C)=O)[C@@H](C)[C@
    @H]7CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H]
    (C)CCCC(C)C)C; CCC1C(C2=Cc3c(c(c4n3[Mg]5
    6[N]2=C1C=C7N5C8=C(C(C(=O)C8=C7C)C(=O)OC
    )C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)
    CCCC(C)CCCC(C)C)C)C)C(=O)C)C; CC[CH]1[CH
    ](C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)
    [CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C(C)
    =O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)
    CCC[CH](C)CCCC(C)C)C    		 Bacteriochlorophyll A isomer
    22367
    GS1
    CHEMBL132376
    DB03859
    ZINC000003815614    		 14 C6 H12 O5 S InChI=1S/C6H12O5S/c7-1-2-
    3(8)4(9)5(10)6(12)11-2/h2
    -10,12H,1H2/t2-,3-,4+,5-,
    6+/m1/s1;
    JUSMHIGDXPKSID-DVKNGEFBSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)
    O)O)O)O; OC1C(O)C(OC(S)C1O)CO; C(C1C(C(C
    (C(O1)S)O)O)O)O; OC[CH]1O[CH](S)[CH](O)[
    CH](O)[CH]1O; OC[C@H]1O[C@@H](S)[C@H](O)
    [C@@H](O)[C@@H]1O    		 1-thio-beta-D-glucopyranose;
    1-thio-beta-D-glucose;
    1-thio-D-glucose;
    1-thio-glucose
    22368
    GS2    		 1 C27 H27 F N8 O3 InChI=1S/C27H27FN8O3/c1-2
    9-26(38)23-17(28)6-5-7-18
    (23)31-25-16-8-10-30-24(1
    6)33-27(34-25)32-19-13-20
    -15(12-21(19)39-4)9-11-36
    (20)22(37)14-35(2)3/h5-13
    H,14H2,1-4H3,(H,29,38)(H3
    ,30,31,32,33,34);
    DESOLSKAHZZIGK-UHFFFAOYSA-N    		 CNC(=O)c1c(F)cccc1Nc2nc(Nc3cc4n(ccc4cc3O
    C)C(=O)CN(C)C)nc5[nH]ccc25; CNC(=O)c1c(c
    ccc1F)Nc2c3cc[nH]c3nc(n2)Nc4cc5c(ccn5C(=
    O)CN(C)C)cc4OC; O=C(n2c1cc(c(OC)cc1cc2)N
    c3nc5c(c(n3)Nc4cccc(F)c4C(=O)NC)ccn5)CN(
    C)C    		 2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide
    22369
    GS3
    CHEMBL507625
    ZINC000053186795    		 1 C27 H31 F N8 O2 InChI=1S/C27H31FN8O2/c1-1
    6(2)35-11-13-36(14-12-35)
    17-7-8-20(22(15-17)38-3)3
    2-27-33-25-18(9-10-30-25)
    26(34-27)31-21-6-4-5-19(2
    8)23(21)24(29)37/h4-10,15
    -16H,11-14H2,1-3H3,(H2,29
    ,37)(H3,30,31,32,33,34);
    HXZDICYKFAOZLE-UHFFFAOYSA-N    		 COc1cc(ccc1Nc2nc3[nH]ccc3c(Nc4cccc(F)c4C
    (N)=O)n2)N5CCN(CC5)C(C)C; CC(C)N1CCN(CC1
    )c2ccc(c(c2)OC)Nc3nc4c(cc[nH]4)c(n3)Nc5c
    ccc(c5C(=O)N)F; Fc1cccc(c1C(=O)N)Nc3nc(n
    c2nccc23)Nc5ccc(N4CCN(C(C)C)CC4)cc5OC    		 2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
    22370
    GS4    		 0 C6 H12 O5 S InChI=1/C6H12O5S/c7-1-2-5
    (12)3(8)4(9)6(10)11-2/h2-
    10,12H,1H2/t2-,3-,4-,5-,6
    -/m1/s1;
    KGSURTOFVLAWDC-QZABAPFNBN    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)
    O)O)S)O; OC[C@H]1O[C@@H](O)[C@H](O)[C@@H
    ](O)[C@@H]1S; OC1C(S)C(OC(O)C1O)CO; C(C1
    C(C(C(C(O1)O)O)O)S)O; OC[CH]1O[CH](O)[CH
    ](O)[CH](O)[CH]1S    		 4-THIO-BETA-D-GLUCOPYRANOSE
    22371
    GS5
    CHEMBL220529
    DB07843
    ZINC000014950088    		 1 C19 H22 Cl N3 O5 S2 InChI=1S/C19H22ClN3O5S2/c
    1-12(18(24)22-6-8-28-9-7-
    22)23-5-4-15(19(23)25)21-
    30(26,27)17-11-13-10-14(2
    0)2-3-16(13)29-17/h2-3,10
    -12,15,21H,4-9H2,1H3/t12-
    ,15-/m0/s1;
    LTJNKFUIOOJXNJ-WFASDCNBSA-N    		 C[C@H](N1CC[C@H](N[S](=O)(=O)c2sc3ccc(Cl
    )cc3c2)C1=O)C(=O)N4CCOCC4; O=C(N1CCOCC1)
    C(N4C(=O)C(NS(=O)(=O)c3sc2ccc(Cl)cc2c3)C
    C4)C; CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)
    (=O)c3cc4cc(ccc4s3)Cl; C[C@@H](C(=O)N1CC
    OCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4cc(c
    cc4s3)Cl; C[CH](N1CC[CH](N[S](=O)(=O)c2s
    c3ccc(Cl)cc3c2)C1=O)C(=O)N4CCOCC4    		 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE
    22372
    GS6
    CHEMBL217914
    DB07844
    ZINC000014950092    		 1 C19 H22 Cl N3 O5 S2 InChI=1S/C19H22ClN3O5S2/c
    1-12(18(24)22-6-8-28-9-7-
    22)23-5-4-15(19(23)25)21-
    30(26,27)17-10-13-2-3-14(
    20)11-16(13)29-17/h2-3,10
    -12,15,21H,4-9H2,1H3/t12-
    ,15-/m0/s1;
    PHLKBODTBJLXRD-WFASDCNBSA-N    		 CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3
    cc4ccc(cc4s3)Cl; O=C(N1CCOCC1)C(N4C(=O)C
    (NS(=O)(=O)c3sc2cc(Cl)ccc2c3)CC4)C; C[CH
    ](N1CC[CH](N[S](=O)(=O)c2sc3cc(Cl)ccc3c2
    )C1=O)C(=O)N4CCOCC4; C[C@@H](C(=O)N1CCOC
    C1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4ccc(cc
    4s3)Cl; C[C@H](N1CC[C@H](N[S](=O)(=O)c2s
    c3cc(Cl)ccc3c2)C1=O)C(=O)N4CCOCC4    		 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE
    22373
    GS7
    DB07845
    ZINC000039193784    		 1 C22 H21 F N6 O4 S InChI=1S/C22H21FN6O4S/c1-
    33-17-10-12(11-34(2,31)32
    )6-7-15(17)27-22-28-20-13
    (8-9-25-20)21(29-22)26-16
    -5-3-4-14(23)18(16)19(24)
    30/h3-10H,11H2,1-2H3,(H2,
    24,30)(H3,25,26,27,28,29);
    VGYXXQRDIVRILX-UHFFFAOYSA-N    		 COc1cc(ccc1Nc2nc3c(cc[nH]3)c(n2)Nc4cccc(
    c4C(=O)N)F)CS(=O)(=O)C; O=S(=O)(C)Cc1ccc
    (c(OC)c1)Nc2nc4c(c(n2)Nc3cccc(F)c3C(=O)N
    )ccn4; COc1cc(C[S](C)(=O)=O)ccc1Nc2nc3[n
    H]ccc3c(Nc4cccc(F)c4C(N)=O)n2    		 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
    22374
    GS8
    ZINC000219973738    		 11 C10 H17 N3 O7 S InChI=1S/C10H17N3O7S/c11-
    5(10(18)19)1-2-7(14)13-6(
    4-21-20)9(17)12-3-8(15)16
    /h5-6,20H,1-4,11H2,(H,12,
    17)(H,13,14)(H,15,16)(H,1
    8,19)/t5-,6-/m0/s1;
    PFXSQLOWBQWLCX-WDSKDSINSA-N    		 N[C@@H](CCC(=O)N[C@@H](CSO)C(=O)NCC(O)=O
    )C(O)=O; C(CC(=O)NC(CSO)C(=O)NCC(=O)O)C(
    C(=O)O)N; O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)
    O)N)CSO; C(CC(=O)N[C@@H](CSO)C(=O)NCC(=O
    )O)[C@@H](C(=O)O)N; N[CH](CCC(=O)N[CH](C
    SO)C(=O)NCC(O)=O)C(O)=O    		 S-Hydroxy-Glutathione
    22375
    GS9
    CHEMBL3590184
    ZINC000095920922    		 4 C16 H18 O5 S InChI=1S/C16H18O5S/c17-8-
    12-13(18)14(19)15(20)16(2
    1-12)22-11-6-5-9-3-1-2-4-
    10(9)7-11/h1-7,12-20H,8H2
    /t12-,13+,14+,15-,16+/m1/
    s1;
    UTPJJZURVZIAID-CWVYHPPDSA-N    		 OC[CH]1O[CH](Sc2ccc3ccccc3c2)[CH](O)[CH]
    (O)[CH]1O; OC[C@H]1O[C@@H](Sc2ccc3ccccc3
    c2)[C@H](O)[C@@H](O)[C@H]1O; S(c1ccc2c(c
    1)cccc2)C3OC(C(O)C(O)C3O)CO; c1ccc2cc(cc
    c2c1)SC3C(C(C(C(O3)CO)O)O)O; c1ccc2cc(cc
    c2c1)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)
    CO)O)O)O    		 naphthalen-2-yl 1-thio-beta-D-galactopyranoside;
    naphthalen-2-yl 1-thio-beta-D-galactoside;
    naphthalen-2-yl 1-thio-D-galactoside;
    naphthalen-2-yl 1-thio-galactoside
    22376
    GSA    		 0 C6 H12 O9 S InChI=1/C6H12O9S/c7-1-2-5
    (15-16(11,12)13)3(8)4(9)6
    (10)14-2/h2-10H,1H2,(H,11
    ,12,13)/t2-,3-,4-,5+,6-/m
    1/s1/f/h11H;
    LOTQRUGOUKUSEY-FTKNYABVDI    		 C(C1C(C(C(C(O1)O)O)O)OS(=O)(=O)O)O; OC[C
    H]1O[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O
    )=O; O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO; C([
    C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)
    O)OS(=O)(=O)O)O; OC[C@H]1O[C@@H](O)[C@H]
    (O)[C@@H](O)[C@H]1O[S](O)(=O)=O    		 O4-SULFONYLGALACTOSE
    22377
    GSB
    DB03602
    ZINC000003874918    		 16 C17 H23 N3 O6 S InChI=1S/C17H23N3O6S/c18-
    12(17(25)26)6-7-14(21)20-
    13(16(24)19-8-15(22)23)10
    -27-9-11-4-2-1-3-5-11/h1-
    5,12-13H,6-10,18H2,(H,19,
    24)(H,20,21)(H,22,23)(H,2
    5,26)/t12-,13-/m0/s1;
    XYJWEQWNNKNSFU-STQMWFEESA-N    		 c1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)
    CC[C@@H](C(=O)O)N; N[CH](CCC(=O)N[CH](CS
    Cc1ccccc1)C(=O)NCC(O)=O)C(O)=O; N[C@@H](
    CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)NCC(O)=O
    )C(O)=O; c1ccc(cc1)CSCC(C(=O)NCC(=O)O)NC
    (=O)CCC(C(=O)O)N; O=C(O)C(N)CCC(=O)NC(C(
    =O)NCC(=O)O)CSCc1ccccc1    		 S-BENZYL-GLUTATHIONE
    22378
    GSC    		 0 C4 H9 N O2 S InChI=1S/C4H9NO2S/c1-2-8-
    3(5)4(6)7/h3H,2,5H2,1H3,(
    H,6,7)/t3-/m0/s1;
    HHTTVXNPKPIBQE-VKHMYHEASA-N    		 CCS[CH](N)C(O)=O; CCS[C@H](N)C(O)=O; CCS
    C(C(=O)O)N; O=C(O)C(SCC)N; CCS[C@@H](C(=
    O)O)N    		 2-ETHYLTHIO GLYCINE
    22379
    GSD    		 0 C6 H12 O5 S InChI=1/C6H12O5S/c7-1-2-5
    (12)3(8)4(9)6(10)11-2/h2-
    10,12H,1H2/t2-,3-,4-,5-,6
    ?/m1/s1;
    KGSURTOFVLAWDC-IVMDWMLBBI    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)
    O)O)S)O; OC[C@H]1O[C@@H](O)[C@H](O)[C@@H
    ](O)[C@@H]1S; OC1C(S)C(OC(O)C1O)CO; C(C1
    C(C(C(C(O1)O)O)O)S)O; OC[CH]1O[CH](O)[CH
    ](O)[CH](O)[CH]1S    		 4-THIO-D-GLUCOSE
    22380
    GSE
    DB02497    		 1 C6 H14 N O8 P InChI=1S/C6H14NO8P/c7-5(6
    (10)11)3-15-16(12,13)14-2
    -4(9)1-8/h4-5,8-9H,1-3,7H
    2,(H,10,11)(H,12,13)/t4-,
    5+/m1/s1;
    ZWZWYGMENQVNFU-UHNVWZDZSA-N    		 O=C(O)C(N)COP(=O)(OCC(O)CO)O; C(C(COP(=O
    )(O)OCC(C(=O)O)N)O)O; N[CH](CO[P](O)(=O)
    OC[CH](O)CO)C(O)=O; N[C@@H](CO[P@](O)(=O
    )OC[C@H](O)CO)C(O)=O; C([C@H](CO[P@](=O)
    (O)OC[C@@H](C(=O)O)N)O)O    		 L-ALPHA-GLYCEROPHOSPHORYLSERINE
    22381
    GSF
    DB04700
    ZINC000012504471    		 9 C10 H17 N3 O8 S InChI=1S/C10H17N3O8S/c11-
    5(10(18)19)1-2-7(14)13-6(
    4-22(20)21)9(17)12-3-8(15
    )16/h5-6H,1-4,11H2,(H,12,
    17)(H,13,14)(H,15,16)(H,1
    8,19)(H,20,21)/t5-,6-/m0/
    s1;
    DMAPAHUEYHXRFI-WDSKDSINSA-N    		 C(CC(=O)N[C@@H](C[S@@](=O)O)C(=O)NCC(=O)
    O)[C@@H](C(=O)O)N; C(CC(=O)NC(CS(=O)O)C(
    =O)NCC(=O)O)C(C(=O)O)N; N[C@@H](CCC(=O)N
    [C@@H](C[S](O)=O)C(=O)NCC(O)=O)C(O)=O; O
    =C(NC(C(=O)NCC(=O)O)CS(=O)O)CCC(C(=O)O)N
    ; N[CH](CCC(=O)N[CH](C[S](O)=O)C(=O)NCC(
    O)=O)C(O)=O    		 L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE;
    GLUTATHIONE SULFINATE
    22382
    GSG
    DB07846    		 1 C22 H27 N3 O3 InChI=1S/C22H27N3O3/c1-5-
    15-8-6-7-9-18(15)23-21(26
    )28-16-10-11-19-17(14-16)
    22(2)12-13-25(4,27)20(22)
    24(19)3/h6-11,14,20H,5,12
    -13H2,1-4H3,(H,23,26);
    MVHRCJQCKYPDRL-UHFFFAOYSA-N    		 CCc1ccccc1NC(=O)Oc2ccc3c(c2)[C@]4(CC[N@+
    ]([C@@H]4[N@]3C)(C)[O-])C; O=C(Oc1cc2c(c
    c1)N(C3[N+]([O-])(CCC23C)C)C)Nc4ccccc4CC
    ; CCc1ccccc1NC(=O)Oc2ccc3c(c2)C4(CC[N+](
    C4N3C)(C)[O-])C; CCc1ccccc1NC(=O)Oc2ccc3
    N(C)C4C(C)(CC[N+]4(C)[O-])c3c2    		 1S,3AS,8AS-TRIMETHYL-1-OXIDO-1,2,3,3A,8,8A-HEXAHYDROPYRROLO[2,3-B]INDOL-5-YL 2-ETHYLPHENYLCARBAMATE;
    GANSTIGMINE;
    (-)-(3AS,8AS,1S)-1,2,3,3A,8A-HEXAHYDRO-1,3A,8-TRIMETHYLPYRROLO[2,3-B]INDOL-5-OL-2'-ETHYLPHENYLCARBAMATE N-OXIDE HYDROCHLORIDE
    22383
    GSH
    CHEMBL1543
    DB00143
    ZINC000003830891    		 1166 C10 H17 N3 O6 S InChI=1S/C10H17N3O6S/c11-
    5(10(18)19)1-2-7(14)13-6(
    4-20)9(17)12-3-8(15)16/h5
    -6,20H,1-4,11H2,(H,12,17)
    (H,13,14)(H,15,16)(H,18,1
    9)/t5-,6-/m0/s1;
    RWSXRVCMGQZWBV-WDSKDSINSA-N    		 O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS; C(
    CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(
    =O)O)N; N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O
    )=O)C(O)=O; N[C@@H](CCC(=O)N[C@@H](CS)C(
    =O)NCC(O)=O)C(O)=O; C(CC(=O)NC(CS)C(=O)N
    CC(=O)O)C(C(=O)O)N    		 GLUTATHIONE
    22384
    GSI
    ZINC000029130721    		 1 C22 H25 Cl F N5 O3 S2 InChI=1S/C22H25ClFN5O3S2/
    c1-27(2)14-21-25-9-11-28(
    21)15-3-5-19(17(24)13-15)
    29-10-7-18(22(29)30)26-34
    (31,32)12-8-16-4-6-20(23)
    33-16/h3-6,9,11,13,18,26H
    ,7-8,10,12,14H2,1-2H3/t18
    -/m0/s1;
    JENHCPNBBPPGMN-SFHVURJKSA-N    		 CN(C)Cc1nccn1c2ccc(c(c2)F)N3CC[C@@H](C3=
    O)NS(=O)(=O)CCc4ccc(s4)Cl; CN(C)Cc1nccn1
    c2ccc(N3CC[CH](N[S](=O)(=O)CCc4sc(Cl)cc4
    )C3=O)c(F)c2; Clc1sc(cc1)CCS(=O)(=O)NC4C
    (=O)N(c3ccc(n2ccnc2CN(C)C)cc3F)CC4; CN(C
    )Cc1nccn1c2ccc(N3CC[C@H](N[S](=O)(=O)CCc
    4sc(Cl)cc4)C3=O)c(F)c2; CN(C)Cc1nccn1c2c
    cc(c(c2)F)N3CCC(C3=O)NS(=O)(=O)CCc4ccc(s
    4)Cl    		 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide
    22385
    GSJ
    CHEMBL373451
    ZINC000014950028    		 1 C23 H31 Cl N4 O6 S2 InChI=1S/C23H31ClN4O6S2/c
    1-15(2)27(12-10-25-35(4,3
    1)32)22(29)16(3)28-11-9-2
    1(23(28)30)26-36(33,34)20
    -8-6-17-13-19(24)7-5-18(1
    7)14-20/h5-8,13-16,21,25-
    26H,9-12H2,1-4H3/t16-,21-
    /m0/s1;
    MTIPCPPIOZUMIV-KKSFZXQISA-N    		 O=S(=O)(NCCN(C(=O)C(N3C(=O)C(NS(=O)(=O)c
    2cc1ccc(Cl)cc1cc2)CC3)C)C(C)C)C; CC(C)N(
    CCN[S](C)(=O)=O)C(=O)[C@H](C)N1CC[C@H](N
    [S](=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O; CC(C
    )N(CCNS(=O)(=O)C)C(=O)[C@H](C)N1CC[C@@H]
    (C1=O)NS(=O)(=O)c2ccc3cc(ccc3c2)Cl; CC(C
    )N(CCNS(=O)(=O)C)C(=O)C(C)N1CCC(C1=O)NS(
    =O)(=O)c2ccc3cc(ccc3c2)Cl; CC(C)N(CCN[S]
    (C)(=O)=O)C(=O)[CH](C)N1CC[CH](N[S](=O)(
    =O)c2ccc3cc(Cl)ccc3c2)C1=O    		 1-PYRROLIDINEACETAMIDE, 3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-ALPHA-METHYL-N-(1-METHYLETHYL)-N-[2-[(METHYLSULFONYL)AMINO]ETHYL]-2-OXO-, (ALPHAS,3S)-
    22386
    GSK
    CHEMBL385587
    DB07847
    ZINC000014950061    		 1 C21 H24 Cl N3 O5 S InChI=1S/C21H24ClN3O5S/c1
    -14(20(26)24-8-10-30-11-9
    -24)25-7-6-19(21(25)27)23
    -31(28,29)18-5-3-15-12-17
    (22)4-2-16(15)13-18/h2-5,
    12-14,19,23H,6-11H2,1H3/t
    14-,19-/m0/s1;
    ICLOZQFWTRAYPX-LIRRHRJNSA-N    		 C[CH](N1CC[CH](N[S](=O)(=O)c2ccc3cc(Cl)c
    cc3c2)C1=O)C(=O)N4CCOCC4; O=C(N1CCOCC1)C
    (N4C(=O)C(NS(=O)(=O)c3cc2ccc(Cl)cc2cc3)C
    C4)C; C[C@H](N1CC[C@H](N[S](=O)(=O)c2ccc
    3cc(Cl)ccc3c2)C1=O)C(=O)N4CCOCC4; CC(C(=
    O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3ccc4cc
    (ccc4c3)Cl; C[C@@H](C(=O)N1CCOCC1)N2CC[C
    @@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl    		 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE
    22387
    GSL
    CHEMBL406974
    ZINC000024753414    		 3 C38 H73 N O9 InChI=1S/C38H73NO9/c1-3-5
    -7-9-11-13-15-16-18-19-21
    -23-25-27-31(40)30(29-47-
    38-35(44)33(42)34(43)36(4
    8-38)37(45)46)39-32(41)28
    -26-24-22-20-17-14-12-10-
    8-6-4-2/h30-31,33-36,38,4
    0,42-44H,3-29H2,1-2H3,(H,
    39,41)(H,45,46)/t30-,31+,
    33-,34+,35+,36-,38-/m0/s1;
    IRPOZWRRAFKYMQ-LMIAXWKISA-N    		 CCCCCCCCCCCCCCCC(C(COC1C(C(C(C(O1)C(=O)O
    )O)O)O)NC(=O)CCCCCCCCCCCCC)O; CCCCCCCCCC
    CCCCC[C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([
    C@H]([C@H](O1)C(=O)O)O)O)O)NC(=O)CCCCCCC
    CCCCCC)O; CCCCCCCCCCCCCCC[CH](O)[CH](CO[
    CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O)NC
    (=O)CCCCCCCCCCCCC; CCCCCCCCCCCCCCC[C@@H]
    (O)[C@H](CO[C@H]1O[C@@H]([C@H](O)[C@H](O
    )[C@H]1O)C(O)=O)NC(=O)CCCCCCCCCCCCC; O=C
    (O)C1OC(OCC(NC(=O)CCCCCCCCCCCCC)C(O)CCCC
    CCCCCCCCCCC)C(O)C(O)C1O    		 (2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-D-GALACTOPYRANOSIDURONIC ACID;
    (2S,3R)-N-MYRISTOYL-1-O-(ALPHA-D-GALACTURONOSYL)-2-N-OCTADECANE-3-OL
    22388
    GSM
    CHEMBL1233129
    DB04701
    ZINC000001532230    		 8 C11 H19 N3 O6 S InChI=1S/C11H19N3O6S/c1-2
    1-5-7(10(18)13-4-9(16)17)
    14-8(15)3-2-6(12)11(19)20
    /h6-7H,2-5,12H2,1H3,(H,13
    ,18)(H,14,15)(H,16,17)(H,
    19,20)/t6-,7-/m0/s1;
    QTQDDTSVRVWHMO-BQBZGAKWSA-N    		 CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC
    (O)=O; CSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=
    O)NCC(O)=O; CSC[C@@H](C(=O)NCC(=O)O)NC(=
    O)CC[C@@H](C(=O)O)N; O=C(NCC(=O)O)C(NC(=
    O)CCC(C(=O)O)N)CSC; CSCC(C(=O)NCC(=O)O)N
    C(=O)CCC(C(=O)O)N    		 L-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINE;
    S-METHYL-GLUTATHIONE
    22389
    GSN    		 8 C10 H14 N4 O7 S InChI=1S/C10H16N4O7S/c11-
    5(10(19)20)1-2-7(15)13-6(
    4-22-14-21)9(18)12-3-8(16
    )17/h5-6H,1-4,11H2,(H,12,
    18)(H,13,15)(H,16,17)(H,1
    9,20)/p-2/t5-,6-/m0/s1;
    HYHSBSXUHZOYLX-WDSKDSINSA-L    		 C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)[O-])[
    C@@H](C(=O)[O-])N; N[C@@H](CCC(=O)N[C@@H
    ](CSN=O)C(=O)NCC([O-])=O)C([O-])=O; C(CC
    (=O)NC(CSN=O)C(=O)NCC(=O)[O-])C(C(=O)[O-
    ])N; N[CH](CCC(=O)N[CH](CSN=O)C(=O)NCC([
    O-])=O)C([O-])=O; O=C(NC(C(=O)NCC([O-])=
    O)CSN=O)CCC(C([O-])=O)N    		 2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE;
    S-NITROSOGLUTATHIONE;
    S-NITROSO GAMMA-GLUTAMYLCYSTEINYLGLYCINE
    22390
    GSO    		 4 C18 H25 N3 O7 S InChI=1S/C18H25N3O7S/c19-
    12(18(27)28)6-7-15(23)21-
    13(17(26)20-8-16(24)25)9-
    29-10-14(22)11-4-2-1-3-5-
    11/h1-5,12-14,22H,6-10,19
    H2,(H,20,26)(H,21,23)(H,2
    4,25)(H,27,28)/t12-,13-,1
    4+/m0/s1;
    SZOWFFWYTHGUAW-MELADBBJSA-N    		 N[CH](CCC(=O)N[CH](CSC[CH](O)c1ccccc1)C(
    =O)NCC(O)=O)C(O)=O; c1ccc(cc1)[C@@H](CSC
    [C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O
    )O)N)O; N[C@@H](CCC(=O)N[C@@H](CSC[C@@H]
    (O)c1ccccc1)C(=O)NCC(O)=O)C(O)=O; c1ccc(
    cc1)C(CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)
    O)N)O; O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O
    )CSCC(O)c1ccccc1    		 L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-2-PHENYLETHYL]-L-CYSTEINYLGLYCINE
    22391
    GSP
    CHEMBL1204628
    DB01864
    ZINC000008217391    		 307 C10 H16 N5 O13 P3 S InChI=1S/C10H16N5O13P3S/c
    11-10-13-7-4(8(18)14-10)1
    2-2-15(7)9-6(17)5(16)3(26
    -9)1-25-29(19,20)27-30(21
    ,22)28-31(23,24)32/h2-3,5
    -6,9,16-17H,1H2,(H,19,20)
    (H,21,22)(H2,23,24,32)(H3
    ,11,13,14,18)/t3-,5-,6-,9
    -/m1/s1;
    XOFLBQFBSOEHOG-UUOKFMHZSA-N    		 c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O
    P(=S)(O)O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2
    C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@
    @](O)(=O)O[P](O)(O)=S)[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)(O)OP(=S)(O)O)O)O)N=
    C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH]3O[C
    H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[
    CH](O)[CH]3O; S=P(O)(O)OP(=O)(O)OP(=O)(O
    )OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O    		 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE
    22392
    GSQ
    CHEMBL375112
    DB07848
    ZINC000014950104    		 1 C19 H23 Cl N4 O5 S InChI=1S/C19H23ClN4O5S/c1
    -12(18(25)23-6-8-29-9-7-2
    3)24-5-4-16(19(24)26)22-3
    0(27,28)17-11-13-10-14(20
    )2-3-15(13)21-17/h2-3,10-
    12,16,21-22H,4-9H2,1H3/t1
    2-,16-/m0/s1;
    BHNMMFGOJRIAEZ-LRDDRELGSA-N    		 C[C@H](N1CC[C@H](N[S](=O)(=O)c2[nH]c3ccc
    (Cl)cc3c2)C1=O)C(=O)N4CCOCC4; C[C@@H](C(
    =O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3
    cc4cc(ccc4[nH]3)Cl; C[CH](N1CC[CH](N[S](
    =O)(=O)c2[nH]c3ccc(Cl)cc3c2)C1=O)C(=O)N4
    CCOCC4; CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=
    O)(=O)c3cc4cc(ccc4[nH]3)Cl; O=C(N1CCOCC1
    )C(N4C(=O)C(NS(=O)(=O)c3cc2cc(Cl)ccc2n3)
    CC4)C    		 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-SULFONAMIDE
    22393
    GSR
    ZINC000058660356    		 0 C18 H22 N5 O8 P InChI=1S/C18H22N5O8P/c24-
    7-11(10-4-2-1-3-5-10)20-1
    8-21-16-15(17(26)22-18)19
    -9-23(16)14-6-12(25)13(31
    -14)8-30-32(27,28)29/h1-5
    ,9,11-14,24-25H,6-8H2,(H2
    ,27,28,29)(H2,20,21,22,26
    )/t11-,12-,13+,14+/m0/s1;
    PJRDXCSKOSXVOB-IGQOVBAYSA-N    		 c1ccc(cc1)C(CO)NC2=Nc3c(ncn3C4CC(C(O4)CO
    P(=O)(O)O)O)C(=O)N2; OC[C@H](NC1=Nc2n(cn
    c2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)
    (O)=O)O3)c4ccccc4; c1ccc(cc1)[C@H](CO)NC
    2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O
    )(O)O)O)C(=O)N2; O=C2c3ncn(c3N=C(NC(c1cc
    ccc1)CO)N2)C4OC(C(O)C4)COP(=O)(O)O; OC[C
    H](NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH
    ](CO[P](O)(O)=O)O3)c4ccccc4    		 2'-DEOXY-N2-(R)STYRENE OXIDE GUANOSINE MONOPHOSPHATE
    22394
    GSS
    ZINC000058660419    		 0 C18 H22 N5 O8 P InChI=1S/C18H22N5O8P/c24-
    7-11(10-4-2-1-3-5-10)20-1
    8-21-16-15(17(26)22-18)19
    -9-23(16)14-6-12(25)13(31
    -14)8-30-32(27,28)29/h1-5
    ,9,11-14,24-25H,6-8H2,(H2
    ,27,28,29)(H2,20,21,22,26
    )/t11-,12+,13-,14-/m1/s1;
    PJRDXCSKOSXVOB-XJFOESAGSA-N    		 c1ccc(cc1)C(CO)NC2=Nc3c(ncn3C4CC(C(O4)CO
    P(=O)(O)O)O)C(=O)N2; c1ccc(cc1)[C@@H](CO
    )NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP
    (=O)(O)O)O)C(=O)N2; OC[C@@H](NC1=Nc2n(cn
    c2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)
    (O)=O)O3)c4ccccc4; O=C2c3ncn(c3N=C(NC(c1
    ccccc1)CO)N2)C4OC(C(O)C4)COP(=O)(O)O; OC
    [CH](NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[
    CH](CO[P](O)(O)=O)O3)c4ccccc4    		 2'-DEOXY-N2-(S)STYRENE OXIDE GUANOSINE MONOPHOSPHATE
    22395
    GST
    DB04702    		 58 C10 H20 O6 P2 S InChI=1S/C10H20O6P2S/c1-9
    (2)5-4-6-10(3)7-8-19-18(1
    4,15)16-17(11,12)13/h5,7H
    ,4,6,8H2,1-3H3,(H,14,15)(
    H2,11,12,13)/b10-7+;
    AKIXWSDUEPPMKM-JXMROGBWSA-N    		 CC(=CCCC(=CCSP(=O)(O)OP(=O)(O)O)C)C; CC(
    C)=CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O; CC
    (=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C; CC
    (C)=CCCC(/C)=C/CS[P@@](O)(=O)O[P](O)(O)=
    O; O=P(O)(OP(=O)(O)O)SC/C=C(/CC/C=C(\C)C
    )C    		 GERANYL S-THIOLODIPHOSPHATE;
    S-[(2E)-3,7-DIMETHYLOCTA-2,6-DIENYL] TRIHYDROGEN THIODIPHOSPHATE
    22396
    GSU
    CHEMBL1163071
    ZINC000014967046    		 13 C15 H21 N7 O9 S InChI=1S/C15H21N7O9S/c16-
    6(1-2-8(23)24)14(27)21-32
    (28,29)30-3-7-10(25)11(26
    )15(31-7)22-5-20-9-12(17)
    18-4-19-13(9)22/h4-7,10-1
    1,15,25-26H,1-3,16H2,(H,2
    1,27)(H,23,24)(H2,17,18,1
    9)/t6-,7+,10+,11+,15+/m0/
    s1;
    YBRKRYFZKHICLS-WERHYGNASA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)
    NC(=O)C(CCC(=O)O)N)O)O)N; N[C@@H](CCC(O)
    =O)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H]
    (O)[C@@H]1O)n2cnc3c(N)ncnc23; c1nc(c2c(n
    1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS
    (=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N; N[
    CH](CCC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[C
    H]([CH](O)[CH]1O)n2cnc3c(N)ncnc23; O=C(O
    )CCC(N)C(=O)NS(=O)(=O)OCC3OC(n2cnc1c(ncn
    c12)N)C(O)C3O    		 O5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE
    22397
    GSV
    ZINC000038139023    		 1 C23 H22 Cl F N2 O5 S3 InChI=1S/C23H22ClFN2O5S3/
    c1-34(29,30)21-5-3-2-4-17
    (21)15-6-8-20(18(25)14-15
    )27-12-10-19(23(27)28)26-
    35(31,32)13-11-16-7-9-22(
    24)33-16/h2-9,14,19,26H,1
    0-13H2,1H3/t19-/m0/s1;
    MRKBPFVJGAHTFU-IBGZPJMESA-N    		 CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)N3CCC(C3=
    O)NS(=O)(=O)CCc4ccc(s4)Cl; CS(=O)(=O)c1c
    cccc1c2ccc(c(c2)F)N3CC[C@@H](C3=O)NS(=O)
    (=O)CCc4ccc(s4)Cl; C[S](=O)(=O)c1ccccc1c
    2ccc(N3CC[C@H](N[S](=O)(=O)CCc4sc(Cl)cc4
    )C3=O)c(F)c2; C[S](=O)(=O)c1ccccc1c2ccc(
    N3CC[CH](N[S](=O)(=O)CCc4sc(Cl)cc4)C3=O)
    c(F)c2; Clc1sc(cc1)CCS(=O)(=O)NC4C(=O)N(
    c3ccc(c2ccccc2S(=O)(=O)C)cc3F)CC4    		 2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide
    22398
    GSW    		 0 C10 H17 N3 O6 S InChI=1S/C10H17N3O6S/c11-
    5(10(18)19)1-2-7(14)13-6(
    4-20)9(17)12-3-8(15)16/h5
    -6,20H,1-4,11H2,(H,12,17)
    (H,13,14)(H,15,16)(H,18,1
    9)/t5-,6+/m1/s1;
    RWSXRVCMGQZWBV-RITPCOANSA-N    		 O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS; C(
    CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@H](C(=
    O)O)N; N[C@H](CCC(=O)N[C@@H](CS)C(=O)NCC
    (O)=O)C(O)=O; N[CH](CCC(=O)N[CH](CS)C(=O
    )NCC(O)=O)C(O)=O; C(CC(=O)NC(CS)C(=O)NCC
    (=O)O)C(C(=O)O)N    		 D-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINE
    22399
    GSX
    CHEMBL220171
    ZINC000014965148    		 1 C19 H22 Cl N3 O5 S3 InChI=1S/C19H22ClN3O5S3/c
    1-12(18(24)22-8-10-28-11-
    9-22)23-7-6-13(19(23)25)2
    1-31(26,27)17-5-3-15(30-1
    7)14-2-4-16(20)29-14/h2-5
    ,12-13,21H,6-11H2,1H3/t12
    -,13-/m0/s1;
    NAHOZYBRUMVDSR-STQMWFEESA-N    		 Clc4sc(c1sc(cc1)S(=O)(=O)NC3C(=O)N(C(C(=
    O)N2CCOCC2)C)CC3)cc4; C[C@@H](C(=O)N1CCO
    CC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc(s3)c
    4ccc(s4)Cl; C[CH](N1CC[CH](N[S](=O)(=O)c
    2sc(cc2)c3sc(Cl)cc3)C1=O)C(=O)N4CCOCC4;
    C[C@H](N1CC[C@H](N[S](=O)(=O)c2sc(cc2)c3
    sc(Cl)cc3)C1=O)C(=O)N4CCOCC4; CC(C(=O)N1
    CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3ccc(s3)c4c
    cc(s4)Cl    		 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE
    22400
    GSY
    ZINC000098208970    		 4 C7 H9 N5 O2 S InChI=1S/C7H9N5O2S/c8-6-9
    -4-3(5(14)11-6)12(1-2-13)
    7(15)10-4/h13H,1-2H2,(H4,
    8,9,10,11,14,15);
    OYFBJNRCXXDVIZ-UHFFFAOYSA-N    		 C(CO)n1c2c(nc1S)N=C(NC2=O)N; NC1=Nc2nc(S
    )n(CCO)c2C(=O)N1; O=C1c2c(N=C(N1)N)nc(S)
    n2CCO    		 7-(2-HYDROXYETHYL)-8-MERCAPTOGUANINE
    Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).