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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    20401
    F79
    CHEMBL230492
    ZINC000014965095    		 1 C17 H19 F N2 O5 S InChI=1S/C17H19FN2O5S/c1-
    2-11-3-8-14(15(17(21)22)1
    6(11)25-10-9-19)20-26(23,
    24)13-6-4-12(18)5-7-13/h3
    -8,20H,2,9-10,19H2,1H3,(H
    ,21,22);
    YLNWNNUWISTBAA-UHFFFAOYSA-N    		 CCc1ccc(N[S](=O)(=O)c2ccc(F)cc2)c(C(O)=O
    )c1OCCN; Fc1ccc(cc1)S(=O)(=O)Nc2c(C(=O)O
    )c(OCCN)c(cc2)CC; CCc1ccc(c(c1OCCN)C(=O)
    O)NS(=O)(=O)c2ccc(cc2)F    		 2-(2-AMINOETHOXY)-3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID
    20402
    F7A
    ZINC000064746614    		 2 C20 H14 F3 N O2 InChI=1S/C20H14F3NO2/c21-
    20(22,23)18-12-5-4-11-17(
    18)19(25)24-14-7-6-10-16(
    13-14)26-15-8-2-1-3-9-15/
    h1-13H,(H,24,25);
    DPQMGAHMROSIOB-UHFFFAOYSA-N    		 FC(F)(F)c1ccccc1C(=O)Nc2cccc(Oc3ccccc3)c
    2; c1ccc(cc1)Oc2cccc(c2)NC(=O)c3ccccc3C(
    F)(F)F    		 N-(3-phenoxyphenyl)-2-(trifluoromethyl)benzamide
    20403
    F7B
    CHEMBL4241500
    ZINC000000106039    		 2 C9 H7 Cl O S InChI=1S/C9H7ClOS/c10-6-1
    -2-9-7(5-6)8(11)3-4-12-9/
    h1-2,5H,3-4H2;
    OKHUUKHZUNKSQA-UHFFFAOYSA-N    		 c1cc2c(cc1Cl)C(=O)CCS2; Clc1ccc2SCCC(=O)
    c2c1    		 6-chloranyl-2,3-dihydrothiochromen-4-one
    20404
    F7C
    ZINC000001529657    		 1 C4 H4 O6 InChI=1S/C4H4O6/c5-1(3(7)
    8)2(6)4(9)10/h1,5H,(H,7,8
    )(H,9,10)/t1-/m0/s1;
    RMHHUKGVZFVHED-SFOWXEAESA-N    		 C(C(=O)C(=O)O)(C(=O)O)O; O[C@H](C(O)=O)C
    (=O)C(O)=O; [C@H](C(=O)C(=O)O)(C(=O)O)O;
    O[CH](C(O)=O)C(=O)C(O)=O    		 (2~{S})-2-oxidanyl-3-oxidanylidene-butanedioic acid
    20405
    F7D    		 3 C19 H15 F2 N5 O2 InChI=1S/C19H15F2N5O2/c1-
    4-6-25-11(3)18(28)26(7-5-
    2)15-10-22-19(24-17(15)25
    )23-12-8-13(20)16(27)14(2
    1)9-12/h1-2,8-11,27H,6-7H
    2,3H3,(H,22,23,24)/t11-/m
    1/s1;
    KDZIESJUFYBJGD-LLVKDONJSA-N    		 CC1C(=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F
    )O)F)CC#C; c12N(CC#C)C(=O)C(C)N(CC#C)c1n
    c(nc2)Nc3cc(F)c(O)c(c3)F; C[CH]1N(CC#C)c
    2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(CC#C)C1=O;
    C[C@H]1N(CC#C)c2nc(Nc3cc(F)c(O)c(F)c3)nc
    c2N(CC#C)C1=O; C[C@@H]1C(=O)N(c2cnc(nc2N
    1CC#C)Nc3cc(c(c(c3)F)O)F)CC#C    		 (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one
    20406
    F7E
    ZINC000008217042    		 4 C16 H23 N5 O15 P2 InChI=1S/C16H23N5O15P2/c1
    -4-7(22)9(24)11(26)15(33-
    4)35-38(30,31)36-37(28,29
    )32-2-5-8(23)10(25)14(34-
    5)21-3-18-6-12(21)19-16(1
    7)20-13(6)27/h3-5,8-11,14
    -15,23-26H,2H2,1H3,(H,28,
    29)(H,30,31)(H3,17,19,20,
    27)/t4-,5-,8-,9+,10-,11+,
    14-,15-/m1/s1;
    PNHLMHWWFOPQLK-BKUUWRAGSA-N    		 CC1C(=O)C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C
    (C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O; C[C
    H]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)[CH](O)C1=O; C[C@H]1O[C@H](O[P](O
    )(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[
    C@@H]2O)n3cnc4C(=O)NC(=Nc34)N)[C@@H](O)[
    C@@H](O)C1=O; C[C@@H]1C(=O)[C@@H]([C@@H]
    ([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@
    H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O
    )O)O)O
    20407
    F7F    		 1 C17 H21 N4 O10 P InChI=1S/C17H21N4O10P/c1-
    7-3-9-10(4-8(7)2)21-17(31
    -21)14(18-16(26)19-15(17)
    25)20(9)5-11(22)13(24)12(
    23)6-30-32(27,28)29/h3-4,
    11-13,22-24H,5-6H2,1-2H3,
    (H,19,25,26)(H2,27,28,29)
    /t11-,12+,13-,17+,21+/m1/
    s1;
    SBINLJVNHAXUDP-YRTJRJKOSA-N    		 Cc1cc2N(C[C@@H](O)[C@@H](O)[C@@H](O)CO[P
    ](O)(O)=O)C3=NC(=O)NC(=O)[C@@]34ON4c2cc1
    C; Cc1cc2c(cc1C)N3C4(O3)C(=O)NC(=O)N=C4N
    2CC(C(C(COP(=O)(O)O)O)O)O; Cc1cc2c(cc1C)
    N3[C@@]4(O3)C(=O)NC(=O)N=C4N2C[C@H]([C@H
    ]([C@H](COP(=O)(O)O)O)O)O; Cc1cc2N(C[CH]
    (O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=NC(=O)
    NC(=O)[C]34ON4c2cc1C    		 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
    20408
    F7H    		 0 C13 H17 N3 O4 InChI=1S/C13H17N3O4/c1-6-
    5-16(11(17)15-9(6)14)8-4-
    12(18)2-7-3-13(7,19)10(12
    )20-8/h5,7-8,10,18-19H,2-
    4H2,1H3,(H2,14,15,17)/t7-
    ,8-,10+,12+,13-/m1/s1;
    GKRDGXCEGWQOOW-ZIDZYHNGSA-N    		 CC1=CN(C(=O)N=C1N)C2CC3(CC4CC4(C3O2)O)O;
    CC1=CN([C@H]2C[C@@]3(O)C[C@@H]4C[C@]4(O
    )[C@H]3O2)C(=O)N=C1N; CC1=CN([CH]2C[C]3(
    O)C[CH]4C[C]4(O)[CH]3O2)C(=O)N=C1N; CC1=
    CN(C(=O)N=C1N)[C@H]2C[C@]3(C[C@@H]4C[C@@
    ]4([C@H]3O2)O)O    		 4-azanyl-1-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one
    20409
    F7I
    CHEMBL5204528    		 2 C24 H23 N5 O3 InChI=1S/C24H23N5O3/c30-2
    4(26-15-17-4-2-1-3-5-17)1
    9-7-6-18-14-21(19)32-13-1
    2-31-11-9-25-22-8-10-29-2
    3(28-22)20(18)16-27-29/h1
    -8,10,14,16H,9,11-13,15H2
    ,(H,25,28)(H,26,30);
    QUXWMXHXYXTBRA-UHFFFAOYSA-N    		 c1ccc(cc1)CNC(=O)c2ccc-3cc2OCCOCCNc4ccn5
    c(c3cn5)n4; O=C(NCc1ccccc1)c2ccc3cc2OCCO
    CCNc4ccn5ncc3c5n4    		 ~{N}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
    20410
    F7J
    CHEMBL4290728    		 1 C29 H32 N4 O2 InChI=1S/C29H32N4O2/c1-19
    -25(31-28(34)23-9-5-6-20(
    16-23)17-30)10-11-26-27(1
    9)24(18-32(26)2)21-12-14-
    33(15-13-21)29(35)22-7-3-
    4-8-22/h5-6,9-11,16,18,21
    -22H,3-4,7-8,12-15H2,1-2H
    3,(H,31,34);
    HQKLWNNRWVVUSC-UHFFFAOYSA-N    		 N(C(c1cccc(c1)C#N)=O)c5ccc2c(c(cn2C)C4CC
    N(C(C3CCCC3)=O)CC4)c5C; Cc1c(ccc2c1c(cn2
    C)C3CCN(CC3)C(=O)C4CCCC4)NC(=O)c5cccc(c5
    )C#N; Cn1cc(C2CCN(CC2)C(=O)C3CCCC3)c4c(C
    )c(NC(=O)c5cccc(c5)C#N)ccc14    		 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide
    20411
    F7K    		 0 C13 H15 N5 O4 InChI=1S/C13H15N5O4/c14-1
    1-16-8-7(9(19)17-11)15-4-
    18(8)6-3-12(20)1-5-2-13(5
    ,21)10(12)22-6/h4-6,10,20
    -21H,1-3H2,(H3,14,16,17,1
    9)/t5-,6-,10+,12+,13-/m1/
    s1;
    AFXULUSIHCQUMJ-CFFIBIDHSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[CH]3C[C]4(O)C[CH]5
    C[C]5(O)[CH]4O3; c1nc2c(n1[C@H]3C[C@]4(C
    [C@@H]5C[C@@]5([C@H]4O3)O)O)N=C(NC2=O)N;
    NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@@]4(O)C[
    C@@H]5C[C@]5(O)[C@H]4O3; c1nc2c(n1C3CC4(
    CC5CC5(C4O3)O)O)N=C(NC2=O)N    		 2-azanyl-9-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-1~{H}-purin-6-one
    20412
    F7L    		 1 C14 H20 F N O2 InChI=1S/C14H20FNO2/c15-1
    4-6-2-1-5-12(14)10-18-11-
    13(17)9-16-7-3-4-8-16/h1-
    2,5-6,13,17H,3-4,7-11H2/t
    13-/m0/s1;
    HWPXULNASVXWSB-ZDUSSCGKSA-N    		 O[C@H](COCc1ccccc1F)CN2CCCC2; Fc1ccccc1C
    OCC(O)CN2CCCC2; c1ccc(c(c1)COC[C@H](CN2C
    CCC2)O)F; c1ccc(c(c1)COCC(CN2CCCC2)O)F;
    O[CH](COCc1ccccc1F)CN2CCCC2    		 (2S)-1-[(2-fluorobenzyl)oxy]-3-(pyrrolidin-1-yl)propan-2-ol
    20413
    F7M
    CHEMBL4281109    		 2 C28 H31 N5 O2 InChI=1S/C28H31N5O2/c1-32
    -18-24(20-10-13-33(14-11-
    20)28(35)21-5-3-2-4-6-21)
    23-16-22(7-8-26(23)32)31-
    27(34)25-15-19(17-29)9-12
    -30-25/h7-9,12,15-16,18,2
    0-21H,2-6,10-11,13-14H2,1
    H3,(H,31,34);
    LRJCIDHTWFKTMZ-UHFFFAOYSA-N    		 c1n(c4c(c1C3CCN(C(C2CCCCC2)=O)CC3)cc(cc4
    )NC(=O)c5cc(ccn5)C#N)C; Cn1cc(c2c1ccc(c2
    )NC(=O)c3cc(ccn3)C#N)C4CCN(CC4)C(=O)C5CC
    CCC5; Cn1cc(C2CCN(CC2)C(=O)C3CCCCC3)c4cc
    (NC(=O)c5cc(ccn5)C#N)ccc14    		 4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide
    20414
    F7N    		 3 C24 H35 F3 N3 O3 InChI=1S/C24H34F3N3O3/c1-
    15(2)23(7-4-18(11-23)29-2
    0-6-9-33-14-21(20)32-3)22
    (31)30-8-5-19-16(13-30)10
    -17(12-28-19)24(25,26)27/
    h10,12,15,18,20-21,29H,4-
    9,11,13-14H2,1-3H3/p+1/t1
    8-,20+,21-,23+/m1/s1;
    MTMDXAIUENDNDL-RJSMDTJLSA-O    		 CC(C)C1(CCC(C1)[NH2+]C2CCOCC2OC)C(=O)N3C
    Cc4c(cc(cn4)C(F)(F)F)C3; CO[CH]1COCC[CH]
    1[NH2+][CH]2CC[C](C2)(C(C)C)C(=O)N3CCc4n
    cc(cc4C3)C(F)(F)F; CC(C)[C@@]1(CC[C@H](C
    1)[NH2+][C@H]2CCOC[C@H]2OC)C(=O)N3CCc4c(
    cc(cn4)C(F)(F)F)C3; CO[C@@H]1COCC[C@@H]1
    [NH2+][C@@H]2CC[C@](C2)(C(C)C)C(=O)N3CCc
    4ncc(cc4C3)C(F)(F)F    		 [(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium
    20415
    F7O    		 0 C10 H15 N6 O6 P InChI=1S/C10H15N6O6P/c11-
    9-8-10(13-4-12-9)16(5-14-
    8)1-7(18)15-6(2-17)3-22-2
    3(19,20)21/h4-6,17H,1-3H2
    ,(H,15,18)(H2,11,12,13)(H
    2,19,20,21)/t6-/m1/s1;
    QTPOROPTULPLNT-ZCFIWIBFSA-N    		 c1nc(c2c(n1)n(cn2)CC(=O)N[C@H](CO)COP(=O
    )(O)O)N; Nc1ncnc2n(CC(=O)N[CH](CO)CO[P](
    O)(O)=O)cnc12; c1nc(c2c(n1)n(cn2)CC(=O)N
    C(CO)COP(=O)(O)O)N; Nc1ncnc2n(CC(=O)N[C@
    H](CO)CO[P](O)(O)=O)cnc12    		 [(2R)-2-[2-(6-aminopurin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
    20416
    F7P    		 0 C16 H22 N2 O3 InChI=1S/C16H22N2O3/c1-10
    (19)16(2,3)18-9-11(8-13(1
    7)15(20)21)12-6-4-5-7-14(
    12)18/h4-7,9-10,13,19H,8,
    17H2,1-3H3,(H,20,21)/t10-
    ,13+/m1/s1;
    AMVINRFZGUCXTO-MFKMUULPSA-N    		 C[C@H](C(C)(C)n1cc(c2c1cccc2)C[C@@H](C(=
    O)O)N)O; C[C@@H](O)C(C)(C)n1cc(C[C@H](N)
    C(O)=O)c2ccccc12; C(C(N)C(O)=O)c2c1ccccc
    1n(c2)C(C(C)O)(C)C; C[CH](O)C(C)(C)n1cc(
    C[CH](N)C(O)=O)c2ccccc12; CC(C(C)(C)n1cc
    (c2c1cccc2)CC(C(=O)O)N)O    		 1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan
    20417
    F7Q    		 0 C9 H11 N O5 InChI=1S/C9H11NO5/c10-7(8
    (12)13)5-9(15-14)3-1-6(11
    )2-4-9/h1-4,7,14H,5,10H2,
    (H,12,13)/t7-/m0/s1;
    ASMCASJKXVEEBU-ZETCQYMHSA-N    		 C1=CC(C=CC1=O)(C[C@@H](C(=O)O)N)OO; N[C@
    @H](CC1(OO)C=CC(=O)C=C1)C(O)=O; C1=CC(C=
    CC1=O)(CC(C(=O)O)N)OO; N[CH](CC1(OO)C=CC
    (=O)C=C1)C(O)=O    		 (2~{S})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid
    20418
    F7R    		 0 C9 H15 N4 O7 P InChI=1S/C9H15N4O7P/c10-7
    -1-2-13(9(16)12-7)3-8(15)
    11-6(4-14)5-20-21(17,18)1
    9/h1-2,6,14H,3-5H2,(H,11,
    15)(H2,10,12,16)(H2,17,18
    ,19)/t6-/m1/s1;
    WZINKHQUEQYIEP-ZCFIWIBFSA-N    		 C1=CN(C(=O)N=C1N)CC(=O)N[C@H](CO)COP(=O)
    (O)O; NC1=NC(=O)N(CC(=O)N[C@H](CO)CO[P](
    O)(O)=O)C=C1; C1=CN(C(=O)N=C1N)CC(=O)NC(
    CO)COP(=O)(O)O; NC1=NC(=O)N(CC(=O)N[CH](
    CO)CO[P](O)(O)=O)C=C1    		 [(2R)-2-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
    20419
    F7S    		 0 C7 H15 N O3 InChI=1S/C7H15NO3/c1-5(4-
    9)3-6(8-2)7(10)11/h5-6,8-
    9H,3-4H2,1-2H3,(H,10,11)/
    t5-,6-/m0/s1;
    CVXBLRFZEQMDMI-WDSKDSINSA-N    		 CN[CH](C[CH](C)CO)C(O)=O; CNC(CC(C)CO)C(
    O)=O; C[C@@H](C[C@@H](C(=O)O)NC)CO; CN[C
    @@H](C[C@H](C)CO)C(O)=O; CC(CC(C(=O)O)NC
    )CO    		 (4S)-5-hydroxy-N-methyl-L-leucine
    20420
    F7T    		 1 C15 H15 Cl2 N3 O3 Pt S InChI=1S/C15H15N3O3S.2ClH
    .Pt/c19-22(20,21)11-5-10-
    18-14-8-2-1-6-12(14)17-15
    (18)13-7-3-4-9-16-13;;;/h
    1-4,6-9H,5,10-11H2,(H,19,
    20,21);2*1H;/q;;;+4/p-2;
    IZMHGJJPSRRFIR-UHFFFAOYSA-L    		 c1ccc2c(c1)n(c-3[n+]2[Pt]([n+]4c3cccc4)(
    Cl)Cl)CCCS(=O)(=O)O; O[S](=O)(=O)CCCn1c2
    ccccc2[n+]3c1c4cccc[n+]4[Pt]3(Cl)Cl    		 alkylated sulphonate-N,N-pyridylbenzimidazole-Pt complex
    20421
    F7U    		 0 C10 H14 N6 O4 InChI=1S/C10H14N6O4/c11-1
    0-14-8-7(9(20)15-10)12-4-
    16(8)1-6(19)13-5(2-17)3-1
    8/h4-5,17-18H,1-3H2,(H,13
    ,19)(H3,11,14,15,20);
    WJAFTVKFSUWOIX-UHFFFAOYSA-N    		 NC1=Nc2n(CC(=O)NC(CO)CO)cnc2C(=O)N1; c1n
    c2c(n1CC(=O)NC(CO)CO)N=C(NC2=O)N    		 2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-N-[1,3-bis(oxidanyl)propan-2-yl]ethanamide
    20422
    F7V
    ZINC000005132862    		 0 C6 H11 N O2 InChI=1S/C6H11NO2/c1-2-3-
    4-5(7)6(8)9/h2-3,5H,4,7H2
    ,1H3,(H,8,9)/b3-2+/t5-/m0
    /s1;
    OPOBBDXDRHKTJF-HRJJCQLASA-N    		 C/C=C/C[C@@H](C(=O)O)N; CC=CC[CH](N)C(O)
    =O; CC=CCC(C(=O)O)N; NC(C(O)=O)C\C=C\C;
    C/C=C/C[C@H](N)C(O)=O    		 (2S,4E)-2-aminohex-4-enoic acid
    20423
    F7W
    CHEMBL145559    		 0 C11 H11 F N2 O2 InChI=1S/C11H11FN2O2/c12-
    8-3-1-2-7-6(5-14-10(7)8)4
    -9(13)11(15)16/h1-3,5,9,1
    4H,4,13H2,(H,15,16)/t9-/m
    0/s1;
    ADMHYWIKJSPIGJ-VIFPVBQESA-N    		 c1cc2c(c[nH]c2c(c1)F)CC(C(=O)O)N; N[C@@H
    ](Cc1c[nH]c2c(F)cccc12)C(O)=O; c1cc2c(c[
    nH]c2c(c1)F)C[C@@H](C(=O)O)N; N[CH](Cc1c
    [nH]c2c(F)cccc12)C(O)=O    		 7-Fluorotryptophan
    20424
    F7X    		 0 C10 H15 N6 O7 P InChI=1S/C10H15N6O7P/c11-
    10-14-8-7(9(19)15-10)12-4
    -16(8)1-6(18)13-5(2-17)3-
    23-24(20,21)22/h4-5,17H,1
    -3H2,(H,13,18)(H2,20,21,2
    2)(H3,11,14,15,19)/t5-/m1
    /s1;
    UGPARWCAUBOAFC-RXMQYKEDSA-N    		 c1nc2c(n1CC(=O)NC(CO)COP(=O)(O)O)N=C(NC2
    =O)N; NC1=Nc2n(CC(=O)N[C@H](CO)CO[P](O)(
    O)=O)cnc2C(=O)N1; c1nc2c(n1CC(=O)N[C@H](
    CO)COP(=O)(O)O)N=C(NC2=O)N; NC1=Nc2n(CC(
    =O)N[CH](CO)CO[P](O)(O)=O)cnc2C(=O)N1    		 [(2R)-2-[2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
    20425
    F7Z    		 2 C29 H38 N2 O5 InChI=1S/C29H38N2O5/c1-3-
    16-14(2)12-18-19-13-15-9-
    10-21(32)25-26(34)20(31-2
    9(25)35)7-5-11-30-22(33)8
    -4-6-17(15)24(19)28-27(36
    -28)23(16)18/h4,8-10,14-2
    0,23-24,27-28,32H,3,5-7,1
    1-13H2,1-2H3,(H,30,33)(H,
    31,35)/b8-4-,10-9+,25-21-
    /t14-,15-,16-,17+,18-,19-
    ,20+,23+,24-,27-,28+/m1/s
    1;
    XVOOQLPJKAEVAZ-CGBNOSMTSA-N    		 CC[CH]1[CH](C)C[CH]2[CH]3C[CH]4C=CC(=C5C
    (=O)N[CH](CCCNC(=O)C=CC[CH]4[CH]3[CH]6O[
    CH]6[CH]12)C5=O)O; CC[C@@H]1[C@H](C)C[C@
    @H]2[C@H]3C[C@H]4/C=C/C(=C5/C(=O)N[C@@H]
    (CCCNC(=O)\C=C/C[C@@H]4[C@H]3[C@@H]6O[C@
    @H]6[C@@H]12)C5=O)O; CCC1C(CC2C1C3C(O3)C
    4C2CC5C4CC=CC(=O)NCCCC6C(=O)C(=C(C=C5)O)
    C(=O)N6)C; CC[C@@H]1[C@@H](C[C@H]2[C@H]1
    [C@@H]3[C@@H](O3)[C@H]4[C@@H]2C[C@@H]/5[
    C@@H]4C/C=C\C(=O)NCCC[C@H]6C(=O)/C(=C(\C
    =C5)/O)/C(=O)N6)C    		 (1Z,3E,5S,7R,8R,10R,11R,12S,13R,15S,16R,17S,19Z,26S)-11-ethyl-2-hydroxy-10-methyl-22,27-diaza-14 oxahexacyclo[24.2.1.05,17.07,16.013,15.08,12]nonacosa-1(2),3,19-triene-21,28,29-trione;
    epoxyikarugamycin
    20426
    F80
    CHEMBL4741874    		 2 C19 H25 N5 O InChI=1S/C19H25N5O/c1-13-
    11-18(20-2)24-19(22-13)23
    -15-6-7-17(25-3)16(12-15)
    14-5-4-9-21-10-8-14/h6-8,
    11-12,21H,4-5,9-10H2,1-3H
    3,(H2,20,22,23,24);
    JOHUZOVWSNNWQZ-UHFFFAOYSA-N    		 CNc1cc(C)nc(Nc2ccc(OC)c(c2)C3=CCNCCC3)n1
    ; Cc1cc(nc(n1)Nc2ccc(c(c2)C3=CCNCCC3)OC)
    NC    		 N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine
    20427
    F81
    ZINC000012359068    		 1 C7 H7 Br O2 InChI=1S/C7H7BrO2/c1-10-6
    -4-2-3-5(8)7(6)9/h2-4,9H,
    1H3;
    WEUFQISIJPSTBM-UHFFFAOYSA-N    		 COc1cccc(c1O)Br; c1(c(cccc1OC)Br)O; COc1
    cccc(Br)c1O    		 2-bromo-6-methoxyphenol
    20428
    F82
    CHEMBL4212563    		 3 C25 H27 N5 O5 InChI=1S/C25H27N5O5/c1-15
    (2)30-13-17(12-28-30)29-2
    4(31)8-16-6-7-18(9-21(16)
    32-3)35-25-19-10-22(33-4)
    23(34-5)11-20(19)26-14-27
    -25/h6-7,9-15H,8H2,1-5H3,
    (H,29,31);
    INYIBEJMXPAZLV-UHFFFAOYSA-N    		 CC(C)n1cc(cn1)NC(=O)Cc2ccc(cc2OC)Oc3c4cc
    (c(cc4ncn3)OC)OC; COc1cc(Oc2ncnc3cc(OC)c
    (OC)cc23)ccc1CC(=O)Nc4cnn(c4)C(C)C    		 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide
    20429
    F83
    DB07747
    ZINC000013607010    		 4 C16 H17 Cl N2 O3 S InChI=1S/C16H17ClN2O3S/c1
    7-13-2-4-14(5-3-13)19-23(
    21,22)16-6-1-11-7-15(10-2
    0)18-9-12(11)8-16/h1-6,8,
    15,18-20H,7,9-10H2/t15-/m
    1/s1;
    YTBGBMPLINFTBQ-OAHLLOKOSA-N    		 OC[CH]1Cc2ccc(cc2CN1)[S](=O)(=O)Nc3ccc(C
    l)cc3; c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CNC
    (C3)CO)Cl; Clc1ccc(cc1)NS(=O)(=O)c2ccc3c
    (c2)CNC(C3)CO; c1cc(ccc1NS(=O)(=O)c2ccc3
    c(c2)CN[C@H](C3)CO)Cl; OC[C@H]1Cc2ccc(cc
    2CN1)[S](=O)(=O)Nc3ccc(Cl)cc3    		 (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE;
    3-HYDROXYMETHYL-7-(N-4-CHLOROPHENYLAMINOSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
    20430
    F85
    CHEMBL3322301
    ZINC000095920971    		 1 C18 H26 N2 O7 InChI=1S/C18H26N2O7/c1-18
    (2,3)10-6-4-9(5-7-10)15(2
    5)19-17(26)20-16-14(24)13
    (23)12(22)11(8-21)27-16/h
    4-7,11-14,16,21-24H,8H2,1
    -3H3,(H2,19,20,25,26)/t11
    -,12-,13+,14-,16-/m1/s1;
    VMCPCJUGMOJLFS-XYFZXANASA-N    		 O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(cc2
    )C(C)(C)C; CC(C)(C)c1ccc(cc1)C(=O)NC(=O)
    NC2C(C(C(C(O2)CO)O)O)O; CC(C)(C)c1ccc(cc
    1)C(=O)NC(=O)N[CH]2O[CH](CO)[CH](O)[CH](
    O)[CH]2O; CC(C)(C)c1ccc(cc1)C(=O)NC(=O)N
    [C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)
    O)O; CC(C)(C)c1ccc(cc1)C(=O)NC(=O)N[C@@H
    ]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O    		 N-[(4-tert-butylbenzoyl)carbamoyl]-beta-D-glucopyranosylamine
    20431
    F86    		 2 C12 H14 N5 O7 P InChI=1S/C12H14N5O7P/c13-
    4-12(8-2-1-6-11(14)15-5-1
    6-17(6)8)10(19)9(18)7(24-
    12)3-23-25(20,21)22/h1-2,
    5,7,9-10,18-19H,3H2,(H2,1
    4,15,16)(H2,20,21,22)/t7-
    ,9-,10-,12+/m1/s1;
    ZBHOHJWLOOFLMW-LTGWCKQJSA-N    		 OP(=O)(O)OCC1OC(C#N)(C(O)C1O)c1ccc2c(N)n
    cnn21; Nc1ncnn2c1ccc2[C]3(O[CH](CO[P](O)
    (O)=O)[CH](O)[CH]3O)C#N; c1cc(n2c1c(ncn2
    )N)C3(C(C(C(O3)COP(=O)(O)O)O)O)C#N; c1cc
    (n2c1c(ncn2)N)[C@]3([C@@H]([C@@H]([C@H](
    O3)COP(=O)(O)O)O)O)C#N; Nc1ncnn2c1ccc2[C
    @@]3(O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]
    3O)C#N    		 [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate;
    Remdesivir, bound form
    20432
    F87    		 3 C21 H23 F2 N5 O2 InChI=1S/C21H23F2N5O2/c1-
    5-7-28-17-11-24-21(25-14-
    9-15(22)18(29)16(23)10-14
    )26-19(17)27(8-6-12(2)3)1
    3(4)20(28)30/h1,9-13,29H,
    6-8H2,2-4H3,(H,24,25,26)/
    t13-/m1/s1;
    IHZPRIAIJQSUAF-CYBMUJFWSA-N    		 CC(C)CCN1[CH](C)C(=O)N(CC#C)c2cnc(Nc3cc(
    F)c(O)c(F)c3)nc12; n2cc1N(C(=O)C(C)N(c1n
    c2Nc3cc(F)c(O)c(c3)F)CCC(C)C)CC#C; CC1C(
    =O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O
    )F)CC#C; C[C@@H]1C(=O)N(c2cnc(nc2N1CCC(C
    )C)Nc3cc(c(c(c3)F)O)F)CC#C; CC(C)CCN1[C@
    H](C)C(=O)N(CC#C)c2cnc(Nc3cc(F)c(O)c(F)c
    3)nc12    		 (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one
    20433
    F88
    CHEMBL4213606    		 3 C23 H23 N5 O4 InChI=1S/C23H23N5O4/c1-4-
    28-13-15(12-26-28)9-22(29
    )27-16-5-7-17(8-6-16)32-2
    3-18-10-20(30-2)21(31-3)1
    1-19(18)24-14-25-23/h5-8,
    10-14H,4,9H2,1-3H3,(H,27,
    29);
    LQRLWWAVCUCERB-UHFFFAOYSA-N    		 CCn1cc(cn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc
    4ncn3)OC)OC; CCn1cc(CC(=O)Nc2ccc(Oc3ncnc
    4cc(OC)c(OC)cc34)cc2)cn1    		 ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
    20434
    F89
    CHEMBL169896
    ZINC000003871820    		 22 C27 H24 N4 O6 InChI=1S/C27H24N4O6/c1-14
    -29-21-7-4-16-3-2-15(10-2
    0(16)24(21)25(34)30-14)12
    -28-18-5-6-19-17(11-18)13
    -31(26(19)35)22(27(36)37)
    8-9-23(32)33/h2-7,10-11,2
    2,28H,8-9,12-13H2,1H3,(H,
    32,33)(H,36,37)(H,29,30,3
    4)/t22-/m0/s1;
    BRVFNEZMTRVUGW-QFIPXVFZSA-N    		 CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4
    )CN(C5=O)[C@@H](CCC(=O)O)C(=O)O; CC1=Nc2
    ccc3ccc(CNc4ccc5c(CN([C@@H](CCC(O)=O)C(O
    )=O)C5=O)c4)cc3c2C(=O)N1; CC1=Nc2ccc3ccc
    (cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)C(CCC
    (=O)O)C(=O)O; CC1=Nc2ccc3ccc(CNc4ccc5c(C
    N([CH](CCC(O)=O)C(O)=O)C5=O)c4)cc3c2C(=O
    )N1; O=C(O)C(N5C(=O)c1c(cc(cc1)NCc4cc3c(
    ccc2N=C(NC(=O)c23)C)cc4)C5)CCC(=O)O    		 S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID;
    FOLATE ANALOG 1843U89
    20435
    F8A
    CHEMBL474942
    ZINC000034096411    		 1 C21 H18 F3 N O2 InChI=1S/C21H18F3NO2/c22-
    21(23,24)17-10-3-1-6-13(1
    7)12-25-18-11-4-2-7-14(18
    )15-8-5-9-16(19(15)25)20(
    26)27/h1,3,5-6,8-10H,2,4,
    7,11-12H2,(H,26,27);
    XAYKLHUEULGGGJ-UHFFFAOYSA-N    		 c1ccc(c(c1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC
    3)C(F)(F)F; FC(F)(F)c1ccccc1Cn3c2c(C(=O)
    O)cccc2c4c3CCCC4; OC(=O)c1cccc2c3CCCCc3n
    (Cc4ccccc4C(F)(F)F)c12    		 9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
    20436
    F8B
    CHEMBL4214769    		 3 C23 H24 N6 O4 InChI=1S/C23H24N6O4/c1-14
    (2)19-11-29(28-27-19)12-2
    2(30)26-15-5-7-16(8-6-15)
    33-23-17-9-20(31-3)21(32-
    4)10-18(17)24-13-25-23/h5
    -11,13-14H,12H2,1-4H3,(H,
    26,30);
    VOSCKXNNVDOPMN-UHFFFAOYSA-N    		 CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c
    (cc4ncn3)OC)OC; COc1cc2ncnc(Oc3ccc(NC(=O
    )Cn4cc(nn4)C(C)C)cc3)c2cc1OC    		 ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
    20437
    F8C    		 4 C26 H44 N4 O9 S InChI=1S/C26H44N4O9S/c1-1
    5(2)11-19(22(32)28-20(24(
    34)40(36,37)38)12-17-5-8-
    27-21(17)31)29-25(35)39-1
    8-13-26(14-18)6-9-30(10-7
    -26)23(33)16(3)4/h15-20,2
    4,34H,5-14H2,1-4H3,(H,27,
    31)(H,28,32)(H,29,35)(H,3
    6,37,38)/t17-,19-,20-,24-
    /m0/s1;
    SQVQHYGKQGMSJR-CDSYHYPYSA-N    		 CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)
    O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)C(C)C; O=
    C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CC
    N(CC2)C(=O)C(C)C)C1)C(O)S(=O)(=O)O; CC(C
    )C[CH](NC(=O)OC1CC2(CCN(CC2)C(=O)C(C)C)C
    1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)
    (=O)=O; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H
    ]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2C
    C3(C2)CCN(CC3)C(=O)C(C)C; CC(C)C[C@H](NC
    (=O)OC1CC2(CCN(CC2)C(=O)C(C)C)C1)C(=O)N[
    C@@H](C[C@@H]3CCNC3=O)[C@@H](O)[S](O)(=O
    )=O    		 (1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    20438
    F8D    		 2 C13 H14 Cl N O3 InChI=1S/C13H14ClNO3/c1-7
    (17)15-5-8(6-16)13-12(15)
    10-4-9(14)2-3-11(10)18-13
    /h2-4,8,12-13,16H,5-6H2,1
    H3/t8-,12-,13-/m0/s1;
    MATFGXSXXCCYSM-HJIKLVIJSA-N    		 CC(=O)N1CC(C2C1c3cc(ccc3O2)Cl)CO; CC(=O)
    N1C[CH](CO)[CH]2Oc3ccc(Cl)cc3[CH]12; CC(
    =O)N1C[C@@H](CO)[C@@H]2Oc3ccc(Cl)cc3[C@H
    ]12; c1cc3c(cc1Cl)C2N(C(C)=O)CC(C2O3)CO;
    CC(=O)N1C[C@H]([C@H]2[C@@H]1c3cc(ccc3O2
    )Cl)CO    		 1-[(3S,3aS,8bS)-7-chloro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one
    20439
    F8E
    CHEMBL4517951
    ZINC000095921299    		 2 C14 H11 Br N4 O2 InChI=1S/C14H11BrN4O2/c1-
    21-14(20)10-6-8(2-3-11(10
    )15)19-13-9-4-5-16-12(9)1
    7-7-18-13/h2-7H,1H3,(H2,1
    6,17,18,19);
    YHDDNFHODNKNQV-UHFFFAOYSA-N    		 COC(=O)c1cc(ccc1Br)Nc2c3cc[nH]c3ncn2; CO
    C(=O)c1cc(Nc2ncnc3[nH]ccc23)ccc1Br; O=C(
    OC)c1cc(ccc1Br)Nc2ncnc3c2ccn3    		 methyl 2-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoate
    20440
    F8F    		 1 C6 H11 N O6 InChI=1S/C6H11NO6/c7-1-2(
    8)3(9)4(5(10)11)13-6(1)12
    /h1-4,6,8-9,12H,7H2,(H,10
    ,11)/t1-,2-,3+,4-,6-/m0/s
    1;
    CRIPFXSBMSGPKB-WAXACMCWSA-N    		 N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O;
    [C@@H]1(C(C([C@H](OC1O)C(=O)O)O)O)N; N[
    C@@H]1[C@@H](O)O[C@@H]([C@H](O)[C@H]1O)C
    (O)=O; C1(C(C(C(OC1O)C(=O)O)O)O)N    		 (2S,5S)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid
    20441
    F8G    		 4 C32 H48 N7 O20 P3 S InChI=1S/C32H48N7O20P3S/c
    1-16-4-5-17(40)21(32(16)8
    -6-20(42)57-32)30(46)63-1
    1-10-34-19(41)7-9-35-28(4
    5)25(44)31(2,3)13-55-62(5
    2,53)59-61(50,51)54-12-18
    -24(58-60(47,48)49)23(43)
    29(56-18)39-15-38-22-26(3
    3)36-14-37-27(22)39/h14-1
    6,18,23-25,29,40,43-44H,4
    -13H2,1-3H3,(H,34,41)(H,3
    5,45)(H,50,51)(H,52,53)(H
    2,33,36,37)(H2,47,48,49)/
    t16-,18-,23-,24-,25+,29-,
    32-/m1/s1;
    COMHLEMSBYWTLA-LJKJHTHQSA-N    		 C[C@@H]1CCC(=C(C(=O)SCCNC(=O)CCNC(=O)[C@
    H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C@
    H]2O[C@H]([C@H](O)[C@@H]2O[P](O)(O)=O)n3
    cnc4c(N)ncnc34)[C@@]15CCC(=O)O5)O; CC1CC
    C(=C(C12CCC(=O)O2)C(=O)SCCNC(=O)CCNC(=O)
    C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3
    )n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)O; C[CH]1
    CCC(=C(C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)
    (C)CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([
    CH](O)[CH]2O[P](O)(O)=O)n3cnc4c(N)ncnc34
    )[C]15CCC(=O)O5)O; C[C@@H]1CCC(=C([C@@]1
    2CCC(=O)O2)C(=O)SCCNC(=O)CCNC(=O)[C@@H](
    C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]
    ([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)
    (O)O)O)O; c12n(cnc1c(N)ncn2)C3OC(C(C3O)O
    P(O)(=O)O)COP(OP(OCC(C(C(NCCC(NCCSC(C4=C
    (CCC(C45CCC(O5)=O)C)O)=O)=O)=O)O)(C)C)(O
    )=O)(=O)O    		 S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (5R,10R)-7-hydroxy-10-methyl-2-oxo-1-oxaspiro[4.5]dec-6-ene-6-carbothioate (non-preferred name)
    20442
    F8H
    CHEMBL4216473    		 2 C24 H26 F N7 O3 InChI=1S/C24H26FN7O3/c1-1
    5(2)21-12-32(31-30-21)13-
    22(33)28-16-4-6-17(7-5-16
    )29-24-23-19(25)10-18(35-
    9-8-34-3)11-20(23)26-14-2
    7-24/h4-7,10-12,14-15H,8-
    9,13H2,1-3H3,(H,28,33)(H,
    26,27,29);
    FLJOFQUXYAWOPE-UHFFFAOYSA-N    		 COCCOc1cc(F)c2c(Nc3ccc(NC(=O)Cn4cc(nn4)C
    (C)C)cc3)ncnc2c1; CC(C)c1cn(nn1)CC(=O)Nc
    2ccc(cc2)Nc3c4c(cc(cc4F)OCCOC)ncn3    		 ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
    20443
    F8I
    CHEMBL5087558    		 2 C21 H25 N5 O3 InChI=1S/C21H25N5O3/c1-21
    (2,3)25-20(27)15-5-4-14-1
    2-17(15)29-11-10-28-9-7-2
    2-18-6-8-26-19(24-18)16(1
    4)13-23-26/h4-6,8,12-13H,
    7,9-11H2,1-3H3,(H,22,24)(
    H,25,27);
    YCFFONJEHNSECY-UHFFFAOYSA-N    		 CC(C)(C)NC(=O)c1ccc-2cc1OCCOCCNc3ccn4c(c
    2cn4)n3; CC(C)(C)NC(=O)c1ccc2cc1OCCOCCNc
    3ccn4ncc2c4n3    		 ~{N}-~{tert}-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
    20444
    F8J
    CHEMBL4172762    		 4 C30 H39 N7 O S InChI=1S/C30H39N7OS/c1-21
    (2)33-29(38)20-37-19-23(1
    8-36-14-12-35(3)13-15-36)
    26-9-8-24(16-28(26)37)34-
    30(39)31-11-10-22-17-32-2
    7-7-5-4-6-25(22)27/h4-9,1
    6-17,19,21,32H,10-15,18,2
    0H2,1-3H3,(H,33,38)(H2,31
    ,34,39);
    DCSGGGDRUYCRAM-UHFFFAOYSA-N    		 CC(C)NC(=O)Cn1cc(CN2CCN(C)CC2)c3ccc(NC(=
    S)NCCc4c[nH]c5ccccc45)cc13; CC(C)NC(=O)C
    n1cc(c2c1cc(cc2)NC(=S)NCCc3c[nH]c4c3cccc
    4)CN5CCN(CC5)C; n1(c3cc(ccc3c(c1)CN2CCN(
    C)CC2)NC(=S)NCCc4cnc5ccccc45)CC(=O)NC(C)
    C    		 2-{6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-1-yl}-N-(propan-2-yl)acetamide
    20445
    F8K    		 4 C23 H27 N2 O2 InChI=1S/C23H26N2O2/c1-25
    (2)16-17-8-11-20(12-9-17)
    24-22-13-10-19(15-23(22)2
    7-4)18-6-5-7-21(14-18)26-
    3/h5-15,24H,16H2,1-4H3/p+
    1;
    SVFQGOYYBWCBTN-UHFFFAOYSA-O    		 COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C)cc3)
    c(OC)c2; C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2O
    C)c3cccc(c3)OC    		 [4-[[2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
    20446
    F8L    		 3 C55 H91 O8 P InChI=1S/C55H91O8P/c1-42(
    2)21-12-22-43(3)23-13-24-
    44(4)25-14-26-45(5)27-15-
    28-46(6)29-16-30-47(7)31-
    17-32-48(8)33-18-34-49(9)
    35-19-36-50(10)37-20-38-5
    1(11)39-40-61-64(59,60)63
    -55-54(58)53(57)52(41-56)
    62-55/h21,23,25,27,29,31,
    33,35,37,39,52-58H,12-20,
    22,24,26,28,30,32,34,36,3
    8,40-41H2,1-11H3,(H,59,60
    )/b43-23?,44-25?,45-27-,4
    6-29-,47-31+,48-33-,49-35
    +,50-37+,51-39-/t52-,53-,
    54+,55+/m1/s1;
    YRIPSPRNAZBQAG-KAKITAEPSA-N    		 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC
    CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC
    O[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH]1O;
    CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(
    =CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OC1C(C(C(O
    1)CO)O)O)C)C)C)C)C)C)C)C)C)C; CC(C)=CCCC
    (C)=CCCC(C)=CCC\C(C)=C/CC\C(C)=C/CC\C(C)
    =C\CC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CC\C(C)
    =C/CO[P](O)(=O)O[C@@H]1O[C@H](CO)[C@@H](
    O)[C@@H]1O; CC(=CCCC(=CCCC(=CCC/C(=C\CC/
    C(=C\CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC/
    C(=C\COP(=O)(O)O[C@H]1[C@H]([C@@H]([C@H]
    (O1)CO)O)O)/C)/C)/C)/C)/C)/C)/C)C)C)C    		 [(2Z,6E,10E,14Z,18E,22Z,26Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] [(2S,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] hydrogen phosphate
    20447
    F8M
    CHEMBL4287613    		 1 C18 H19 N3 O4 InChI=1S/C18H19N3O4/c1-21
    (2)7-3-4-10-5-6-14-11(8-1
    0)15(22)12-9-13(18(23)24)
    16(19)20-17(12)25-14/h5-6
    ,8-9H,3-4,7H2,1-2H3,(H2,1
    9,20)(H,23,24);
    UFHZMIKXSGTKFX-UHFFFAOYSA-N    		 CN(C)CCCc1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(O
    )=O; CN(C)CCCc1ccc2c(c1)C(=O)c3cc(c(nc3O
    2)N)C(=O)O; CN(C)CCCc3ccc1c(C(c2c(O1)nc(
    c(c2)C(O)=O)N)=O)c3    		 2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid;
    7-[3-(dimethylamino)propyl] Analog of Amlexanox
    20448
    F8N
    ZINC000257212022    		 4 C26 H31 N3 O3 InChI=1S/C26H31N3O3/c1-31
    -24-8-3-7-23(18-24)22-6-2
    -5-21(17-22)19-26(9-15-32
    -16-10-26)25(30)28-11-4-1
    3-29-14-12-27-20-29/h2-3,
    5-8,12,14,17-18,20H,4,9-1
    1,13,15-16,19H2,1H3,(H,28
    ,30);
    CBOYVLWCZVCRSZ-UHFFFAOYSA-N    		 COc1cccc(c1)c2cccc(c2)CC3(CCOCC3)C(=O)NC
    CCn4ccnc4; COc1cccc(c1)c2cccc(CC3(CCOCC3
    )C(=O)NCCCn4ccnc4)c2    		 ~{N}-(3-imidazol-1-ylpropyl)-4-[[3-(3-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
    20449
    F8O    		 1 C10 H20 O2 InChI=1S/C10H20O2/c1-4-5-
    6-8(2)7-9(3)10(11)12/h8-9
    H,4-7H2,1-3H3,(H,11,12)/t
    8-,9-/m1/s1;
    BBRLCIVWEAHSPK-RKDXNWHRSA-N    		 CCCC[C@@H](C)C[C@@H](C)C(O)=O; CCCC[C@@H
    ](C)C[C@@H](C)C(=O)O; CCCCC(C)CC(C)C(=O)
    O; CCCC[CH](C)C[CH](C)C(O)=O    		 (2~{R},4~{R})-2,4-dimethyloctanal
    20450
    F8P
    CHEMBL4277066    		 1 C19 H16 F2 N2 O4 InChI=1S/C19H16F2N2O4/c20
    -19(21)5-3-9(4-6-19)10-1-
    2-14-11(7-10)15(24)12-8-1
    3(18(25)26)16(22)23-17(12
    )27-14/h1-2,7-9H,3-6H2,(H
    2,22,23)(H,25,26);
    YBTHXDAXRWKGKS-UHFFFAOYSA-N    		 Nc1nc2Oc3ccc(cc3C(=O)c2cc1C(O)=O)C4CCC(F
    )(F)CC4; c4(c(cc3c(Oc2ccc(C1CCC(F)(CC1)F
    )cc2C3=O)n4)C(O)=O)N; c1cc2c(cc1C3CCC(CC
    3)(F)F)C(=O)c4cc(c(nc4O2)N)C(=O)O    		 2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid;
    7-(4,4-difluorocyclohexyl) Analog of Amlexanox
    20451
    F8Q    		 5 C23 H26 F N2 O2 InChI=1S/C23H25FN2O2/c1-2
    6(2)15-16-8-10-18(11-9-16
    )25-21-13-12-20(22(24)23(
    21)28-4)17-6-5-7-19(14-17
    )27-3/h5-14,25H,15H2,1-4H
    3/p+1;
    VDMBGVBPYJVMMO-UHFFFAOYSA-O    		 C[NH+](C)Cc1ccc(cc1)Nc2ccc(c(c2OC)F)c3cc
    cc(c3)OC; COc1cccc(c1)c2ccc(Nc3ccc(C[NH+
    ](C)C)cc3)c(OC)c2F    		 [4-[[3-fluoranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
    20452
    F8R    		 1 C28 H33 N7 O4 S InChI=1S/C28H33N7O4S/c1-1
    7(2)40(37,38)24-9-7-6-8-1
    9(24)30-27-26-20(10-12-29
    -26)31-28(33-27)32-21-15-
    22-18(14-23(21)39-5)11-13
    -35(22)25(36)16-34(3)4/h6
    -10,12,14-15,17,29H,11,13
    ,16H2,1-5H3,(H2,30,31,32,
    33);
    HTWIYZGXLMTRHE-UHFFFAOYSA-N    		 COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc3nc(Nc4ccc
    cc4[S](=O)(=O)C(C)C)c5[nH]ccc5n3; CC(C)S
    (=O)(=O)c1ccccc1Nc2c3c(cc[nH]3)nc(n2)Nc4
    cc5c(cc4OC)CCN5C(=O)CN(C)C    		 2-(dimethylamino)-1-[5-methoxy-6-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone
    20453
    F8S
    CHEMBL4282790    		 1 C18 H16 N2 O6 S InChI=1S/C18H16N2O6S/c19-
    16-13(18(22)23)8-12-15(21
    )11-7-10(1-2-14(11)26-17(
    12)20-16)9-3-5-27(24,25)6
    -4-9/h1-2,7-9H,3-6H2,(H2,
    19,20)(H,22,23);
    YLXHHSZCWBYDQH-UHFFFAOYSA-N    		 c4(c(cc3c(Oc1c(cc(cc1)C2CCS(CC2)(=O)=O)C
    3=O)n4)C(O)=O)N; c1cc2c(cc1C3CCS(=O)(=O)
    CC3)C(=O)c4cc(c(nc4O2)N)C(=O)O; Nc1nc2Oc
    3ccc(cc3C(=O)c2cc1C(O)=O)C4CC[S](=O)(=O)
    CC4    		 2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid;
    7-[1,1-bis(oxidanylidene)thian-4-yl Analog of Amlexanox
    20454
    F8T    		 4 C22 H25 N2 O InChI=1S/C22H24N2O/c1-24(
    2)16-17-7-11-20(12-8-17)2
    3-21-13-9-18(10-14-21)19-
    5-4-6-22(15-19)25-3/h4-15
    ,23H,16H2,1-3H3/p+1;
    QEGGQWLIQSTRCS-UHFFFAOYSA-O    		 C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2)c3cccc(c3
    )OC; COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C
    )cc3)cc2    		 [4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
    20455
    F8U    		 1 C4 H10 O8 S2 InChI=1S/C4H10O8S2/c5-3(1
    -13(7,8)9)4(6)2-14(10,11)
    12/h3-6H,1-2H2,(H,7,8,9)(
    H,10,11,12)/t3-,4-/m0/s1;
    HLYMICSVYBDBOV-IMJSIDKUSA-N    		 C([C@@H]([C@H](CS(=O)(=O)O)O)O)S(=O)(=O)
    O; O[C@@H](C[S](O)(=O)=O)[C@@H](O)C[S](O
    )(=O)=O; C(C(C(CS(=O)(=O)O)O)O)S(=O)(=O)
    O; O[CH](C[S](O)(=O)=O)[CH](O)C[S](O)(=O
    )=O    		 (2R,3R)-2,3-bis(oxidanyl)butane-1,4-disulfonic acid
    20456
    F8V
    CHEMBL4215228    		 1 C35 H35 F N8 O2 S InChI=1S/C35H35FN8O2S/c1-
    47-35(34(46)39-27-9-12-30
    -29(21-27)32(41-40-30)24-
    3-7-26(36)8-4-24)13-16-42
    (23-35)22-31(45)44-19-17-
    43(18-20-44)28-10-5-25(6-
    11-28)33-37-14-2-15-38-33
    /h2-12,14-15,21H,13,16-20
    ,22-23H2,1H3,(H,39,46)(H,
    40,41)/t35-/m0/s1;
    MRHUCFAJTNKMCG-DHUJRADRSA-N    		 CS[C]1(CCN(CC(=O)N2CCN(CC2)c3ccc(cc3)c4n
    cccn4)C1)C(=O)Nc5ccc6[nH]nc(c7ccc(F)cc7)
    c6c5; CS[C@]1(CCN(CC(=O)N2CCN(CC2)c3ccc(
    cc3)c4ncccn4)C1)C(=O)Nc5ccc6[nH]nc(c7ccc
    (F)cc7)c6c5; CSC1(CCN(C1)CC(=O)N2CCN(CC2
    )c3ccc(cc3)c4ncccn4)C(=O)Nc5ccc6c(c5)c(n
    [nH]6)c7ccc(cc7)F; O=C(N1CCN(CC1)c2ccc(c
    c2)c3ncccn3)CN4CC(CC4)(SC)C(=O)Nc7cc6c(c
    5ccc(cc5)F)nnc6cc7; CS[C@]1(CCN(C1)CC(=O
    )N2CCN(CC2)c3ccc(cc3)c4ncccn4)C(=O)Nc5cc
    c6c(c5)c(n[nH]6)c7ccc(cc7)F    		 (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide
    20457
    F8W
    ZINC000085772570    		 6 C34 H50 N6 O11 InChI=1S/C34H50N6O11/c41-
    25-9-7-23(19-27(25)43)31(
    47)39-17-5-13-35-11-1-3-1
    5-37-29(45)21-34(51,33(49
    )50)22-30(46)38-16-4-2-12
    -36-14-6-18-40-32(48)24-8
    -10-26(42)28(44)20-24/h7-
    10,19-20,35-36,41-44,51H,
    1-6,11-18,21-22H2,(H,37,4
    5)(H,38,46)(H,39,47)(H,40
    ,48)(H,49,50);
    GKIMOVAPSAVJHZ-UHFFFAOYSA-N    		 c1cc(c(cc1C(=O)NCCCNCCCCNC(=O)CC(CC(=O)N
    CCCCNCCCNC(=O)c2ccc(c(c2)O)O)(C(=O)O)O)O
    )O; OC(=O)C(O)(CC(=O)NCCCCNCCCNC(=O)c1cc
    c(O)c(O)c1)CC(=O)NCCCCNCCCNC(=O)c2ccc(O)
    c(O)c2
    20458
    F8X    		 0 C6 H11 N O6 InChI=1S/C6H11NO6/c7-1-2(
    8)3(9)4(5(10)11)13-6(1)12
    /h1-4,6,8-9,12H,7H2,(H,10
    ,11)/t1-,2-,3-,4-,6+/m0/s
    1;
    CRIPFXSBMSGPKB-SYJWYVCOSA-N    		 N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O;
    NC1C(O)C(O)C(C(O)=O)OC1O; [C@@H]1([C@@H
    ]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O)N; N[
    C@@H]1[C@H](O)O[C@@H]([C@@H](O)[C@H]1O)C
    (O)=O; C1(C(C(C(OC1O)C(=O)O)O)O)N    		 2-amino-2-deoxy-beta-D-altropyranuronic acid
    20459
    F8Y    		 3 C18 H17 F2 N5 O2 InChI=1S/C18H17F2N5O2/c1-
    4-6-25-14-9-21-18(22-11-7
    -12(19)15(26)13(20)8-11)2
    3-16(14)24(5-2)10(3)17(25
    )27/h1,7-10,26H,5-6H2,2-3
    H3,(H,21,22,23)/t10-/m1/s
    1;
    ZPVLKVQCFYVQDJ-SNVBAGLBSA-N    		 CCN1c2c(cnc(n2)Nc3cc(c(c(c3)F)O)F)N(C(=O
    )C1C)CC#C; c1(c(c(cc(c1)Nc3nc2N(CC)C(C)C
    (=O)N(c2cn3)CC#C)F)O)F; CCN1c2c(cnc(n2)N
    c3cc(c(c(c3)F)O)F)N(C(=O)[C@H]1C)CC#C; C
    CN1[C@H](C)C(=O)N(CC#C)c2cnc(Nc3cc(F)c(O
    )c(F)c3)nc12; CCN1[CH](C)C(=O)N(CC#C)c2c
    nc(Nc3cc(F)c(O)c(F)c3)nc12    		 (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one
    20460
    F8Z
    CHEMBL3183436
    ZINC000095860844    		 2 C32 H38 N4 O7 InChI=1S/C32H38N4O7/c1-20
    -15-36(21(2)18-37)31(38)2
    6-14-24(34-32(39)33-23-6-
    9-25(40-4)10-7-23)8-12-27
    (26)43-30(20)17-35(3)16-2
    2-5-11-28-29(13-22)42-19-
    41-28/h5-14,20-21,30,37H,
    15-19H2,1-4H3,(H2,33,34,3
    9)/t20-,21-,30-/m0/s1;
    NGRSXEMLDRQNMH-LPBFERMMSA-N    		 COc1ccc(NC(=O)Nc2ccc3O[CH](CN(C)Cc4ccc5O
    COc5c4)[CH](C)CN([CH](C)CO)C(=O)c3c2)cc1
    ; COc1ccc(NC(=O)Nc2ccc3O[C@@H](CN(C)Cc4c
    cc5OCOc5c4)[C@@H](C)CN([C@@H](C)CO)C(=O)
    c3c2)cc1; CC1CN(C(=O)c2cc(ccc2OC1CN(C)Cc
    3ccc4c(c3)OCO4)NC(=O)Nc5ccc(cc5)OC)C(C)C
    O; C[C@H]1CN(C(=O)c2cc(ccc2O[C@H]1CN(C)C
    c3ccc4c(c3)OCO4)NC(=O)Nc5ccc(cc5)OC)[C@@
    H](C)CO    		 1-[(2~{R},3~{S})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{S})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{H}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
    20461
    F90
    CHEMBL1229097
    ZINC000004536563    		 4 C8 H9 Cl N2 S InChI=1S/C8H9ClN2S/c9-7-3
    -1-6(2-4-7)5-12-8(10)11/h
    1-4H,5H2,(H3,10,11);
    YOCWIHYZDHPSHD-UHFFFAOYSA-N    		 c1cc(ccc1CSC(=N)N)Cl; [H]/N=C(\N)/SCc1cc
    c(cc1)Cl; NC(=N)SCc1ccc(Cl)cc1; Clc1ccc(
    cc1)CSC(=[N@H])N    		 4-chlorobenzyl carbamimidothioate
    20462
    F91
    CHEMBL1533396
    ZINC000000570881    		 6 C14 H14 N2 O2 InChI=1S/C14H14N2O2/c1-2-
    13-14(18-8-7-17-13)9-12(1
    )16-10-11-3-5-15-6-4-11/h
    1-6,9,16H,7-8,10H2;
    ZEHRBOVXNPCYAK-UHFFFAOYSA-N    		 C1COc2cc(NCc3ccncc3)ccc2O1; O1c2c(OCC1)c
    c(cc2)NCc3ccncc3; c1cc2c(cc1NCc3ccncc3)O
    CCO2    		 N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
    20463
    F92
    CHEMBL319988    		 1 C19 H20 F N5 O InChI=1S/C19H20FN5O/c20-1
    3-3-1-12(2-4-13)17-18(16-
    9-10-22-19(21)24-16)25(11
    -23-17)14-5-7-15(26)8-6-1
    4/h1-4,9-11,14-15,26H,5-8
    H2,(H2,21,22,24)/t14-,15-;
    YNEJNUAUXPCFAS-SHTZXODSSA-N    		 Nc1nccc(n1)c2n(cnc2c3ccc(F)cc3)[CH]4CC[C
    H](O)CC4; Nc1nccc(n1)c2n(cnc2c3ccc(F)cc3
    )[C@H]4CC[C@H](O)CC4; c1cc(ccc1c2c(n(cn2
    )C3CCC(CC3)O)c4ccnc(n4)N)F    		 4-[5-(2-azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol
    20464
    F93    		 0 C9 H10 Cl N O4 InChI=1S/C9H10ClNO4/c10-5
    -3-4(1-2-6(5)12)8(13)7(11
    )9(14)15/h1-3,7-8,12-13H,
    11H2,(H,14,15)/t7-,8+/m1/
    s1;
    BACZBJKOFPGENQ-SFYZADRCSA-N    		 c1cc(c(cc1C(C(C(=O)O)N)O)Cl)O; N[C@H]([C
    @@H](O)c1ccc(O)c(Cl)c1)C(O)=O; c1cc(c(cc
    1[C@@H]([C@H](C(=O)O)N)O)Cl)O; N[CH]([CH
    ](O)c1ccc(O)c(Cl)c1)C(O)=O    		 (2R,3S)-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid
    20465
    F94
    CHEMBL253786
    ZINC000000038935    		 1 C15 H10 O4 InChI=1S/C15H10O4/c16-10-
    3-1-2-9(6-10)14-8-13(18)1
    2-5-4-11(17)7-15(12)19-14
    /h1-8,16-17H;
    DYARIVMCYYQNNQ-UHFFFAOYSA-N    		 c1cc(cc(c1)O)C2=CC(=O)c3ccc(cc3O2)O; O=C
    1c3c(OC(=C1)c2cccc(O)c2)cc(O)cc3; Oc1ccc
    2C(=O)C=C(Oc2c1)c3cccc(O)c3    		 7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one;
    7,3-dihydroxyflavone
    20466
    F95
    ZINC000001237931    		 3 C11 H8 O6 InChI=1S/C11H8O6/c12-7-2-
    1-6-5(3-8(13)14)4-9(15)17
    -11(6)10(7)16/h1-2,4,12,1
    6H,3H2,(H,13,14);
    LNRFNPKOQGRTFS-UHFFFAOYSA-N    		 O=C(O)CC=1c2c(OC(=O)C=1)c(O)c(O)cc2; c1c
    c(c(c2c1C(=CC(=O)O2)CC(=O)O)O)O; OC(=O)C
    C1=CC(=O)Oc2c(O)c(O)ccc12    		 (7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid
    20467
    F96    		 2 C21 H22 F N3 O2 InChI=1S/C21H22FN3O2/c22-
    16-4-1-3-14(9-16)15-6-7-1
    8-20(10-15)25(13-24-18)12
    -17(26)11-19-21(27)5-2-8-
    23-19/h1,3-4,6-7,9-10,13,
    19,21,23,27H,2,5,8,11-12H
    2/t19-,21+/m1/s1;
    VQOVGCNWRLIDFU-CTNGQTDRSA-N    		 c1cc(cc(c1)F)c2ccc3c(c2)n(cn3)CC(=O)C[C@
    @H]4[C@H](CCCN4)O; O[C@H]1CCCN[C@@H]1CC(
    =O)Cn2cnc3ccc(cc23)c4cccc(F)c4; c1cc(cc(
    c1)F)c2ccc3c(c2)n(cn3)CC(=O)CC4C(CCCN4)O
    ; O[CH]1CCCN[CH]1CC(=O)Cn2cnc3ccc(cc23)c
    4cccc(F)c4    		 1-[6-(3-fluorophenyl)benzimidazol-1-yl]-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one
    20468
    F97    		 3 C21 H26 F2 N8 InChI=1S/C21H26F2N8/c1-13
    (2)31-17-8-18(25-10-15(17
    )11-26-31)28-19-7-16(14-3
    -5-24-9-14)27-20(29-19)30
    -6-4-21(22,23)12-30/h7-8,
    10-11,13-14,24H,3-6,9,12H
    2,1-2H3,(H,25,27,28,29)/t
    14-/m1/s1;
    JKPAJCPZQIJPPS-CQSZACIVSA-N    		 CC(C)n1ncc2cnc(Nc3cc(nc(n3)N4CCC(F)(F)C4
    )[CH]5CCNC5)cc12; CC(C)n1c2cc(ncc2cn1)Nc
    3cc(nc(n3)N4CCC(C4)(F)F)C5CCNC5; CC(C)n1
    c2cc(ncc2cn1)Nc3cc(nc(n3)N4CCC(C4)(F)F)[
    C@@H]5CCNC5; c21cc(ncc1cnn2C(C)C)Nc4cc(n
    c(N3CCC(C3)(F)F)n4)C5CCNC5; CC(C)n1ncc2c
    nc(Nc3cc(nc(n3)N4CCC(F)(F)C4)[C@@H]5CCNC
    5)cc12    		 N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine
    20469
    F98
    CHEMBL205338
    ZINC000003923871    		 5 C5 H12 N O5 P InChI=1S/C5H12NO5P/c1-5(7
    )6(8)3-2-4-12(9,10)11/h8H
    ,2-4H2,1H3,(H2,9,10,11);
    PKMNDDZSIHLLLI-UHFFFAOYSA-N    		 O=P(O)(O)CCCN(O)C(=O)C; CC(=O)N(CCCP(=O)
    (O)O)O; CC(=O)N(O)CCC[P](O)(O)=O    		 3-[ethanoyl(hydroxy)amino]propylphosphonic acid
    20470
    F99    		 2 C16 H20 Cl N3 O2 InChI=1S/C16H20ClN3O2/c1-
    10-12(17)4-5-14-16(10)19-
    9-20(14)8-11(21)7-13-15(2
    2)3-2-6-18-13/h4-5,9,13,1
    5,18,22H,2-3,6-8H2,1H3/t1
    3-,15+/m1/s1;
    QGJXLDZCSUOUAE-HIFRSBDPSA-N    		 Cc1c(ccc2c1ncn2CC(=O)C[C@@H]3[C@H](CCCN3
    )O)Cl; Cc1c(ccc2c1ncn2CC(=O)CC3C(CCCN3)O
    )Cl; Cc1c(Cl)ccc2n(CC(=O)C[C@H]3NCCC[C@@
    H]3O)cnc12; Cc1c(Cl)ccc2n(CC(=O)C[CH]3NC
    CC[CH]3O)cnc12    		 1-(5-chloranyl-4-methyl-benzimidazol-1-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one
    20471
    F9A
    ZINC000047452658    		 2 C17 H17 F3 N2 O InChI=1S/C17H17F3N2O/c1-2
    2(2)11-12-6-5-7-13(10-12)
    21-16(23)14-8-3-4-9-15(14
    )17(18,19)20/h3-10H,11H2,
    1-2H3,(H,21,23);
    JOBMMUWJHLRXCZ-UHFFFAOYSA-N    		 CN(C)Cc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F;
    CN(C)Cc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1    		 N-{3-[(dimethylamino)methyl]phenyl}-2-(trifluoromethyl)benzamide
    20472
    F9B    		 1 C16 H21 N O4 InChI=1S/C16H21NO4/c18-9-
    13(10-19)17-8-14(20)11-21
    -16-7-3-5-12-4-1-2-6-15(1
    2)16/h1-7,13-14,17-20H,8-
    11H2/t14-/m0/s1;
    KRBDCALBFRZJTM-AWEZNQCLSA-N    		 c1ccc2c(c1)cccc2OC[C@H](CNC(CO)CO)O; OCC
    (CO)NC[CH](O)COc1cccc2ccccc12; OCC(CO)NC
    [C@H](O)COc1cccc2ccccc12; c1ccc2c(c1)ccc
    c2OCC(CNC(CO)CO)O    		 2-[[(2~{S})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol
    20473
    F9C    		 2 C15 H19 Br N4 O2 InChI=1S/C15H19BrN4O2/c1-
    9-11(16)6-18-15-14(9)19-8
    -20(15)7-10(21)5-12-13(22
    )3-2-4-17-12/h6,8,12-13,1
    7,22H,2-5,7H2,1H3/t12-,13
    +/m1/s1;
    HASBACODFIEZPY-OLZOCXBDSA-N    		 Cc1c(Br)cnc2n(CC(=O)C[CH]3NCCC[CH]3O)cnc
    12; Cc1c(cnc2c1ncn2CC(=O)C[C@@H]3[C@H](C
    CCN3)O)Br; Cc1c(cnc2c1ncn2CC(=O)CC3C(CCC
    N3)O)Br; Cc1c(Br)cnc2n(CC(=O)C[C@H]3NCCC
    [C@@H]3O)cnc12    		 1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one
    20474
    F9D
    CHEMBL51369
    ZINC000001584097    		 0 C5 H7 N O2 InChI=1S/C5H7NO2/c1-2-3-4
    (6)5(7)8/h1,4H,3,6H2,(H,7
    ,8)/t4-/m1/s1;
    DGYHPLMPMRKMPD-SCSAIBSYSA-N    		 C(=O)(O)C(N)CC#C; N[CH](CC#C)C(O)=O; C#C
    C[C@H](C(=O)O)N; C#CCC(C(=O)O)N; N[C@H](
    CC#C)C(O)=O    		 (2R)-2-aminopent-4-ynoic acid
    20475
    F9E
    CHEMBL400177
    ZINC000001995484    		 1 C14 H22 N6 O5 InChI=1S/C14H22N6O5/c1-7(
    2)9(15)13(23)24-4-8(3-21)
    25-6-20-5-17-10-11(20)18-
    14(16)19-12(10)22/h5,7-9,
    21H,3-4,6,15H2,1-2H3,(H3,
    16,18,19,22)/t8-,9-/m0/s1;
    WPVFJKSGQUFQAP-IUCAKERBSA-N    		 CC(C)C(C(=O)OCC(CO)OCn1cnc2c1NC(=NC2=O)N
    )N; CC(C)[CH](N)C(=O)OC[CH](CO)OCn1cnc2C
    (=O)N=C(N)Nc12; CC(C)[C@H](N)C(=O)OC[C@H
    ](CO)OCn1cnc2C(=O)N=C(N)Nc12; CC(C)[C@@H
    ](C(=O)OC[C@H](CO)OCn1cnc2c1NC(=NC2=O)N)
    N    		 [(2~{S})-2-[(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{S})-2-azanyl-3-methyl-butanoate
    20476
    F9F
    DB07748
    ZINC000016051904    		 42 C9 H11 F3 N O7 P S InChI=1S/C9H11F3NO7PS/c10
    -9(11,12)20-7-1-3-8(4-2-7
    )22(17,18)13-5-6-19-21(14
    ,15)16/h1-4,13H,5-6H2,(H2
    ,14,15,16);
    JDDKDMFCTOZVCJ-UHFFFAOYSA-N    		 O[P](O)(=O)OCCN[S](=O)(=O)c1ccc(OC(F)(F)
    F)cc1; FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCCOP
    (=O)(O)O; c1cc(ccc1OC(F)(F)F)S(=O)(=O)NC
    COP(=O)(O)O    		 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE;
    N-(4'-TRIFLUOROMETHOXYBENZENESULFONYL)-2-AMINO-1-ETHYLPHOSPHATE, F9
    20477
    F9G
    ZINC000002568133    		 1 C7 H7 Br O2 InChI=1S/C7H7BrO2/c1-10-7
    -3-2-5(8)4-6(7)9/h2-4,9H,
    1H3;
    OLSJHVZRUFFIPL-UHFFFAOYSA-N    		 COc1ccc(cc1O)Br; COc1ccc(Br)cc1O; c1(c(c
    cc(c1)Br)OC)O    		 5-bromo-2-methoxyphenol
    20478
    F9H    		 14 C23 H20 F3 N7 O4 InChI=1S/C23H20F3N7O4/c1-
    21(2)11-33(20(36)37-21)22
    (18(35)27-19-28-30-31-29-
    19)12-32(16-9-4-3-8-15(16
    )22)17(34)13-6-5-7-14(10-
    13)23(24,25)26/h3-10H,11-
    12H2,1-2H3,(H2,27,28,29,3
    0,31,35)/t22-/m1/s1;
    CIOWYUCMYWZPAD-JOCHJYFZSA-N    		 CC1(C)CN(C(=O)O1)[C]2(CN(C(=O)c3cccc(c3)
    C(F)(F)F)c4ccccc24)C(=O)Nc5[nH]nnn5; CC1
    (CN(C(=O)O1)C2(CN(c3c2cccc3)C(=O)c4cccc(
    c4)C(F)(F)F)C(=O)Nc5[nH]nnn5)C; CC1(CN(C
    (=O)O1)[C@@]2(CN(c3c2cccc3)C(=O)c4cccc(c
    4)C(F)(F)F)C(=O)Nc5[nH]nnn5)C; CC1(C)CN(
    C(=O)O1)C1(CN(C(=O)c2cccc(c2)C(F)(F)F)c2
    ccccc21)C(=O)Nc1nnn[NH]1; CC1(C)CN(C(=O)
    O1)[C@@]2(CN(C(=O)c3cccc(c3)C(F)(F)F)c4c
    cccc24)C(=O)Nc5[nH]nnn5    		 (3S)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide
    20479
    F9I    		 3 C35 H49 N3 O23 S2 InChI=1S/C35H49N3O23S2/c1
    -14(40)37-23-19(42)10-35(
    34(49)50,60-30(23)25(44)2
    0(43)11-36-62(51,52)18-8-
    7-16-5-3-4-6-17(16)9-18)6
    1-31-26(45)22(13-56-63(53
    ,54)55)58-33(28(31)47)59-
    29-21(12-39)57-32(48)24(2
    7(29)46)38-15(2)41/h3-9,1
    9-33,36,39,42-48H,10-13H2
    ,1-2H3,(H,37,40)(H,38,41)
    (H,49,50)(H,53,54,55)/t19
    -,20+,21+,22+,23+,24+,25+
    ,26-,27+,28+,29+,30+,31-,
    32+,33-,35-/m0/s1;
    ZLAPGDVDOMPNMP-XMROQEHSSA-N    		 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[
    C@@H]2O[C@H](CO[S](O)(=O)=O)[C@H](O)[C@H
    ](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H]
    (O3)[C@H](O)[C@H](O)CN[S](=O)(=O)c4ccc5c
    cccc5c4)C(O)=O)[C@H]2O)[C@@H]1O; CC(=O)N
    [C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H]
    (CNS(=O)(=O)c2ccc3ccccc3c2)O)O)(C(=O)O)O
    [C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H
    ]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(=O)C)O)
    CO)COS(=O)(=O)O)O)O; CC(=O)NC1C(CC(OC1C(
    C(CNS(=O)(=O)c2ccc3ccccc3c2)O)O)(C(=O)O)
    OC4C(C(OC(C4O)OC5C(OC(C(C5O)NC(=O)C)O)CO
    )COS(=O)(=O)O)O)O; CC(=O)N[CH]1[CH](O)O[
    CH](CO)[CH](O[CH]2O[CH](CO[S](O)(=O)=O)[
    CH](O)[CH](O[C]3(C[CH](O)[CH](NC(C)=O)[C
    H](O3)[CH](O)[CH](O)CN[S](=O)(=O)c4ccc5c
    cccc5c4)C(O)=O)[CH]2O)[CH]1O    		 (2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid
    20480
    F9J
    CHEMBL2381980
    ZINC000095921072    		 2 C18 H20 F2 N8 O2 InChI=1S/C18H20F2N8O2/c1-
    10-7-13(27-26-10)23-18-24
    -16(28-3-5-29-6-4-28)14(2
    0)17(25-18)30-11(2)15-21-
    8-12(19)9-22-15/h7-9,11H,
    3-6H2,1-2H3,(H2,23,24,25,
    26,27)/t11-/m0/s1;
    NFYAORHLODKCQX-NSHDSACASA-N    		 C[CH](Oc1nc(Nc2[nH]nc(C)c2)nc(N3CCOCC3)c
    1F)c4ncc(F)cn4; Fc1cnc(nc1)C(Oc3nc(nc(N2
    CCOCC2)c3F)Nc4cc(nn4)C)C; Cc1cc([nH]n1)N
    c2nc(c(c(n2)OC(C)c3ncc(cn3)F)F)N4CCOCC4;
    Cc1cc([nH]n1)Nc2nc(c(c(n2)O[C@@H](C)c3n
    cc(cn3)F)F)N4CCOCC4; C[C@H](Oc1nc(Nc2[nH
    ]nc(C)c2)nc(N3CCOCC3)c1F)c4ncc(F)cn4    		 5-FLUORO-4-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHOXY]-N-(5-METHYL-1H-PYRAZOL-3-YL)-6-MORPHOLINO-PYRIMIDIN-2-AMINE
    20481
    F9K
    ZINC000150343232    		 2 C42 H51 F2 N7 O9 S InChI=1S/C42H51F2N7O9S/c1
    -3-26-21-42(26)40(56)48-6
    1(58,59)35-19-27(43)15-16
    -32(35)45-17-8-6-4-5-7-14
    -33(46-36(52)29-12-10-18-
    49(2)38(29)54)39(55)51-23
    -28(20-34(51)37(53)47-42)
    60-41(57)50-22-25-11-9-13
    -31(44)30(25)24-50/h3,9,1
    1,13,15-16,19,26,28-29,33
    -34,45H,1,4-8,10,12,14,17
    -18,20-24H2,2H3,(H,46,52)
    (H,47,53)(H,48,56)/t26-,2
    8-,29+,33+,34+,42-/m1/s1;
    JSGPAIBYTVNGSI-ZBBLQTOUSA-N    		 CN1CCC[C@H](C1=O)C(=O)N[C@H]2CCCCCCCNc3c
    cc(cc3S(=O)(=O)NC(=O)[C@]4(C[C@H]4C=C)NC
    (=O)[C@@H]5C[C@H](CN5C2=O)OC(=O)N6Cc7ccc
    c(c7C6)F)F; CN1CCC[C@@H](C(=O)N[C@H]2CCC
    CCCCNc3ccc(F)cc3[S](=O)(=O)NC(=O)[C@]4(C
    [C@H]4C=C)NC(=O)[C@@H]5C[C@H](CN5C2=O)OC
    (=O)N6Cc7cccc(F)c7C6)C1=O; O=C1N(C)CCCC1
    C(=O)NC5C(=O)N4CC(OC(=O)N3Cc2cccc(F)c2C3
    )CC4C(=O)NC7(C(=O)NS(=O)(=O)c6cc(F)ccc6N
    CCCCCCC5)CC7\C=C; CN1CCC[CH](C(=O)N[CH]2
    CCCCCCCNc3ccc(F)cc3[S](=O)(=O)NC(=O)[C]4
    (C[CH]4C=C)NC(=O)[CH]5C[CH](CN5C2=O)OC(=
    O)N6Cc7cccc(F)c7C6)C1=O; CN1CCCC(C1=O)C(
    =O)NC2CCCCCCCNc3ccc(cc3S(=O)(=O)NC(=O)C4
    (CC4C=C)NC(=O)C5CC(CN5C2=O)OC(=O)N6Cc7cc
    cc(c7C6)F)F    		 (1'R,2R,2'S,6S,24AS)-17-FLUORO-6-(1-METHYL-2-OXOPIPERIDINE-3-CARBOXAMIDO)-19,19-DIOXIDO-5,21,24-TRIOXO-2'-VINYL-1,2,3,5,6,7,8,9,10,11,12,13,14,20,21,23,24,24A-OCTADECAHYDROSPIRO[BENZO[S]PYRROLO[2,1-G][1,2,5,8,18]THIATETRAAZACYCLOICOSINE-22,1'-CYCLOPRO-2-CARBOXYLATEPAN]-2-YL 4-FLUOROISOINDOLINE
    20482
    F9M    		 8 C25 H23 F3 N8 O S2 InChI=1S/C25H23F3N8OS2/c1
    -13-21(39-14(2)32-13)19-1
    2-38-24(33-19)34-20-6-3-1
    5(7-29-20)22(37)36-17-4-5
    -18(36)11-35(10-17)23-30-
    8-16(9-31-23)25(26,27)28/
    h3,6-9,12,17-18H,4-5,10-1
    1H2,1-2H3,(H,29,33,34)/t1
    7-,18+;
    JARXMNZSCUFQHX-HDICACEKSA-N    		 Cc1sc(c(C)n1)c2csc(Nc3ccc(cn3)C(=O)N4[CH
    ]5CC[CH]4CN(C5)c6ncc(cn6)C(F)(F)F)n2; Cc
    1c(sc(n1)C)c2csc(n2)Nc3ccc(cn3)C(=O)N4[C
    @@H]5CC[C@H]4CN(C5)c6ncc(cn6)C(F)(F)F; C
    c1c(sc(n1)C)c2csc(n2)Nc3ccc(cn3)C(=O)N4C
    5CCC4CN(C5)c6ncc(cn6)C(F)(F)F; Cc1sc(c(C
    )n1)c2csc(Nc3ccc(cn3)C(=O)N4[C@H]5CC[C@@
    H]4CN(C5)c6ncc(cn6)C(F)(F)F)n2    		 [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
    20483
    F9N    		 7 C23 H33 N7 O3 S InChI=1S/C23H33N7O3S/c1-3
    0(2)13-7-12-26-34(31,32)1
    9-11-6-10-18(14-19)27-23-
    28-21-20(24-16-25-21)22(2
    9-23)33-15-17-8-4-3-5-9-1
    7/h6,10-11,14,16-17,26H,3
    -5,7-9,12-13,15H2,1-2H3,(
    H2,24,25,27,28,29);
    PEEXIAQHZDNIBT-UHFFFAOYSA-N    		 CN(C)CCCNS(=O)(=O)c1cccc(c1)Nc2nc3c(c(n2
    )OCC4CCCCC4)[nH]cn3; CN(C)CCCN[S](=O)(=O
    )c1cccc(Nc2nc(OCC3CCCCC3)c4[nH]cnc4n2)c1    		 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide
    20484
    F9O
    CHEMBL4802138
    DB18017    		 2 C15 H19 Cl2 N3 O InChI=1S/C15H19Cl2N3O/c16
    -10-5-6-12-15(14(10)17)19
    -9-20(12)8-2-3-11-13(21)4
    -1-7-18-11/h5-6,9,11,13,1
    8,21H,1-4,7-8H2/t11-,13+/
    m1/s1;
    VXCNMWNXDDMFSX-YPMHNXCESA-N    		 O[CH]1CCCN[CH]1CCCn2cnc3c(Cl)c(Cl)ccc23;
    c1cc(c(c2c1n(cn2)CCCC3C(CCCN3)O)Cl)Cl;
    c1cc(c(c2c1n(cn2)CCC[C@@H]3[C@H](CCCN3)O
    )Cl)Cl; O[C@H]1CCCN[C@@H]1CCCn2cnc3c(Cl)
    c(Cl)ccc23    		 (2R,3S)-2-[3-[4,5-bis(chloranyl)benzimidazol-1-yl]propyl]piperidin-3-ol
    20485
    F9P
    CHEMBL2333345
    ZINC000006415504    		 2 C7 H13 N O2 InChI=1S/C7H13NO2/c9-7(8-
    10)6-4-2-1-3-5-6/h6,10H,1
    -5H2,(H,8,9);
    RFWDAWXPYZTVSN-UHFFFAOYSA-N    		 ONC(=O)C1CCCCC1; C1CCC(CC1)C(=O)NO; C1CC
    CCC1C(NO)=O    		 N-hydroxycyclohexanecarboxamide;
    cyclohexylhydroxamate
    20486
    F9Q
    CHEMBL4594442
    DB16192    		 1 C15 H11 Cl F N5 InChI=1S/C15H11ClFN5/c1-8
    -6-10(7-12(16)19-8)14-13(
    20-15(18)22-21-14)9-2-4-1
    1(17)5-3-9/h2-7H,1H3,(H2,
    18,20,22);
    NCWQLHHDGDXIJN-UHFFFAOYSA-N    		 Cc1cc(cc(n1)Cl)c2c(nc(nn2)N)c3ccc(cc3)F;
    Cc1cc(cc(Cl)n1)c2nnc(N)nc2c3ccc(F)cc3    		 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
    20487
    F9R
    CHEMBL254219
    DB01396
    ZINC000095862733    		 2 C41 H64 O13 InChI=1S/C41H64O13/c1-20-
    36(46)29(42)16-34(49-20)5
    3-38-22(3)51-35(18-31(38)
    44)54-37-21(2)50-33(17-30
    (37)43)52-25-8-11-39(4)24
    (15-25)6-7-28-27(39)9-12-
    40(5)26(10-13-41(28,40)47
    )23-14-32(45)48-19-23/h14
    ,20-22,24-31,33-38,42-44,
    46-47H,6-13,15-19H2,1-5H3
    /t20-,21-,22-,24-,25+,26-
    ,27+,28-,29+,30+,31+,33+,
    34+,35+,36-,37-,38-,39+,4
    0-,41+/m1/s1;
    WDJUZGPOPHTGOT-XUDUSOBPSA-N    		 C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[
    C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]3[C@@H](
    O)C[C@@H](O[C@@H]3C)O[C@H]4CC[C@@]5(C)[C
    @H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C
    @]67O)C8=CC(=O)OC8)C4; C[CH]1O[CH](C[CH]
    (O)[CH]1O)O[CH]2[CH](O)C[CH](O[CH]2C)O[C
    H]3[CH](O)C[CH](O[CH]3C)O[CH]4CC[C]5(C)[
    CH](CC[CH]6[CH]5CC[C]7(C)[CH](CC[C]67O)C
    8=CC(=O)OC8)C4; C[C@@H]1[C@H]([C@H](C[C@
    @H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[
    C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C
    @]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C
    @@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O
    ; CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O
    )OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O
    )OC8)O)C)C)C)C)O)O    		 Digitoxin;
    3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-[(2R,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
    20488
    F9S    		 0 C25 H35 N O4 InChI=1S/C25H35NO4/c27-20
    -23-18-22(13-14-24(23)28)
    25(29)19-26-15-7-1-2-8-16
    -30-17-9-6-12-21-10-4-3-5
    -11-21/h3-5,10-11,13-14,1
    8,26-28H,1-2,6-9,12,15-17
    ,19-20H2;
    XPCWLGKNIXSVBR-UHFFFAOYSA-N    		 OCc1cc(ccc1O)C(=O)CNCCCCCCOCCCCc2ccccc2;
    c1ccc(cc1)CCCCOCCCCCCNCC(=O)c2ccc(c(c2)
    CO)O; c1c(cccc1)CCCCOCCCCCCNCC(=O)c2cc(c
    (cc2)O)CO    		 1-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-{[6-(4-phenylbutoxy)hexyl]amino}ethan-1-one
    20489
    F9T    		 9 C23 H25 N O4 InChI=1S/C23H25NO4/c1-2-3
    -4-5-7-17-10-15-21(20(25)
    16-17)27-18-11-13-19(14-1
    2-18)28-23-9-6-8-22(26)24
    -23/h6,8-16,25H,2-5,7H2,1
    H3,(H,24,26);
    RNLVXOQANIRULJ-UHFFFAOYSA-N    		 CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)Oc3cccc(n3
    )O; CCCCCCc1ccc(Oc2ccc(Oc3cccc(O)n3)cc2)
    c(O)c1    		 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol
    20490
    F9U    		 0 C21 H32 N2 O3 InChI=1S/C21H32N2O3/c1-20
    -7-5-13(23-26-10-9-22)11-
    17(20)18(24)12-14-15-3-4-
    19(25)21(15,2)8-6-16(14)2
    0/h14-17H,3-12,22H2,1-2H3
    /b23-13-/t14-,15+,16-,17-
    ,20+,21-/m0/s1;
    MPYLDWFDPHRTEG-XCVJZJIDSA-N    		 C[C@]12CC/C(C[C@H]1C(=O)C[C@@H]3[C@@H]2C
    C[C@@]4(C)[C@@H]3CCC4=O)=N/OCCN; C[C@]12
    CC/C(=N/OCCN)/C[C@H]1C(=O)C[C@@H]3[C@@H]
    2CC[C@]4([C@@H]3CCC4=O)C; CC12CCC(=NOCCN
    )CC1C(=O)CC3C2CCC4(C3CCC4=O)C; C[C]12CCC
    (C[CH]1C(=O)C[CH]3[CH]2CC[C]4(C)[CH]3CCC
    4=O)=NOCCN    		 (3Z,5R,8R,9S,10R,13S,14R)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione
    20491
    F9V
    ZINC000000155879    		 1 C10 H10 O4 InChI=1S/C10H10O4/c11-9(1
    2)6-8(10(13)14)7-4-2-1-3-
    5-7/h1-5,8H,6H2,(H,11,12)
    (H,13,14)/t8-/m0/s1;
    LVFFZQQWIZURIO-QMMMGPOBSA-N    		 c1ccc(cc1)C(CC(=O)O)C(=O)O; OC(=O)C[CH](
    C(O)=O)c1ccccc1; OC(=O)C[C@H](C(O)=O)c1c
    cccc1; O=C(O)C(c1ccccc1)CC(=O)O    		 (2S)-2-phenylbutanedioic acid
    20492
    F9W    		 1 C13 H14 F2 O5 InChI=1S/C13H14F2O5/c14-7
    -2-8(15)4-9(3-7)20-10-1-6
    (5-16)11(17)13(19)12(10)1
    8/h1-4,10-13,16-19H,5H2/t
    10-,11-,12-,13-/m0/s1;
    CSNIOFGNOFVRRH-CYDGBPFRSA-N    		 OCC1=C[CH](Oc2cc(F)cc(F)c2)[CH](O)[CH](O
    )[CH]1O; c1c(cc(cc1F)F)OC2C=C(C(C(C2O)O)
    O)CO; c1c(cc(cc1F)F)O[C@H]2C=C([C@@H]([C
    @@H]([C@H]2O)O)O)CO; OCC1=C[C@H](Oc2cc(F
    )cc(F)c2)[C@H](O)[C@@H](O)[C@H]1O    		 (1~{R},2~{S},3~{S},6~{S})-6-[3,5-bis(fluoranyl)phenoxy]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
    20493
    F9X    		 4 C13 H21 N2 O8 P InChI=1S/C13H21N2O8P/c1-3
    -10(16)11(13(18)19)15-5-9
    -8(6-23-24(20,21)22)4-14-
    7(2)12(9)17/h4,10-11,15-1
    7H,3,5-6H2,1-2H3,(H,18,19
    )(H2,20,21,22)/t10-,11+/m
    1/s1;
    BXUMTZWSUSTQMU-MNOVXSKESA-N    		 CC[C@H]([C@@H](C(=O)O)NCc1c(cnc(c1O)C)CO
    P(=O)(O)O)O; CC[CH](O)[CH](NCc1c(O)c(C)n
    cc1CO[P](O)(O)=O)C(O)=O; CCC(C(C(=O)O)NC
    c1c(cnc(c1O)C)COP(=O)(O)O)O; CC[C@@H](O)
    [C@H](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)
    =O    		 (2S,3R)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-pentanoic acid
    20494
    F9Y
    ZINC000002566051    		 4 C9 H6 N2 InChI=1S/C9H6N2/c10-6-7-1
    -2-8-3-4-11-9(8)5-7/h1-5,
    11H;
    SZSZDBFJCQKTRG-UHFFFAOYSA-N    		 N#Cc1ccc2cc[nH]c2c1; c1cc(cc2c1cc[nH]2)C
    #N; C(c2ccc1ccnc1c2)#N    		 1H-indole-6-carbonitrile
    20495
    F9Z
    CHEMBL1709089
    ZINC000018825328    		 3 C21 H20 Cl N O5 InChI=1S/C21H20ClNO5/c1-2
    3-7-6-12(17(27)10-23)19-1
    4(24)8-15(25)20-16(26)9-1
    8(28-21(19)20)11-4-2-3-5-
    13(11)22/h2-5,8-9,12,17,2
    4-25,27H,6-7,10H2,1H3/t12
    -,17-/m0/s1;
    BIIVYFLTOXDAOV-SJCJKPOMSA-N    		 CN1CC[C@@H]([C@H](C1)O)c2c(cc(c3c2OC(=CC
    3=O)c4ccccc4Cl)O)O; CN1CC[C@@H]([C@@H](O
    )C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4C
    l; CN1CCC(C(C1)O)c2c(cc(c3c2OC(=CC3=O)c4
    ccccc4Cl)O)O; CN1CC[CH]([CH](O)C1)c2c(O)
    cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl    		 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one
    20496
    FA    		 0 C19 H19 N7 O6 InChI=1/C19H19N7O6/c20-19
    -25-15-14(17(30)26-19)23-
    11(8-22-15)7-21-10-3-1-9(
    2-4-10)16(29)24-12(18(31)
    32)5-6-13(27)28/h1-4,8,12
    ,21H,5-7H2,(H,24,29)(H,27
    ,28)(H,31,32)(H3,20,22,25
    ,26,30)/t12-/m0/s1/f/h24-
    25,27,31H,20H2;
    OVBPIULPVIDEAO-MIBLXQRJDO    		 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC
    c2cnc3c(n2)C(=O)N=C(N3)N; c1cc(ccc1C(=O)
    NC(CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C
    (N3)N; NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)N
    [CH](CCC(O)=O)C(O)=O)cnc2N1; NC1=NC(=O)c
    2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(
    O)=O)cnc2N1; O=C(O)C(NC(=O)c1ccc(cc1)NCc
    2nc3c(nc2)NC(=NC3=O)N)CCC(=O)O    		 FOLIC ACID
    20497
    FA0
    ZINC000000389796    		 8 C7 H6 F N O2 InChI=1S/C7H6FNO2/c8-4-1-
    2-5(7(10)11)6(9)3-4/h1-3H
    ,9H2,(H,10,11);
    LGPVTNAJFDUWLF-UHFFFAOYSA-N    		 c1cc(c(cc1F)N)C(=O)O; O=C(O)c1ccc(F)cc1N
    ; Nc1cc(F)ccc1C(O)=O    		 2-amino-4-fluorobenzoic acid
    20498
    FA1
    CHEMBL190265
    DB02801    		 49 C7 H10 O5 InChI=1S/C7H10O5/c8-4-1-2
    -7(12,6(10)11)3-5(4)9/h1-
    2,4-5,8-9,12H,3H2,(H,10,1
    1)/t4-,5-,7+/m1/s1;
    VTEDVYGIJPLVFF-XAHCXIQSSA-N    		 C1C(C(C=CC1(C(=O)O)O)O)O; C1[C@H]([C@@H]
    (C=C[C@]1(C(=O)O)O)O)O; O[C@@H]1C[C@@](O
    )(C=C[C@H]1O)C(O)=O; O=C(O)C1(O)C=CC(O)C
    (O)C1; O[CH]1C[C](O)(C=C[CH]1O)C(O)=O    		 2,3 -ANHYDRO-QUINIC ACID
    20499
    FA2
    DB02454
    ZINC000058638540    		 1 C9 H12 N5 O6 P InChI=1S/C9H12N5O6P/c10-7
    -5-8(12-2-11-7)14(3-13-5)
    9-6(15)4(1-19-9)20-21(16,
    17)18/h2-4,6,9,15H,1H2,(H
    2,10,11,12)(H2,16,17,18)/
    t4-,6+,9+/m0/s1;
    IJEJRDCFMFEDGL-AFEQZKEHSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](CO3
    )OP(=O)(O)O)O)N; Nc1ncnc2n(cnc12)[CH]3OC
    [CH](O[P](O)(O)=O)[CH]3O; Nc1ncnc2n(cnc1
    2)[C@@H]3OC[C@H](O[P](O)(O)=O)[C@H]3O; c
    1nc(c2c(n1)n(cn2)C3C(C(CO3)OP(=O)(O)O)O)
    N; O=P(O)(O)OC3COC(n2cnc1c(ncnc12)N)C3O    		 5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXYTETRAHYDROFURAN-3-YL DIHYDROGEN PHOSPHATE
    20500
    FA3
    CHEMBL365468
    DB02786    		 12 C7 H9 F O5 InChI=1S/C7H9FO5/c8-3-1-7
    (13,6(11)12)2-4(9)5(3)10/
    h1,4-5,9-10,13H,2H2,(H,11
    ,12)/t4-,5-,7+/m1/s1;
    DGZQZSSRYAJDAX-XAHCXIQSSA-N    		 O[CH]1C[C](O)(C=C(F)[CH]1O)C(O)=O; O[C@@
    H]1C[C@@](O)(C=C(F)[C@H]1O)C(O)=O; FC1=C
    C(O)(C(=O)O)CC(O)C1O; C1[C@H]([C@@H](C(=
    C[C@]1(C(=O)O)O)F)O)O; C1C(C(C(=CC1(C(=O
    )O)O)F)O)O    		 2-ANHYDRO-3-FLUORO-QUINIC ACID
    20501
    FA4
    ZINC000003821563    		 4 C24 H42 N6 O3 InChI=1S/C24H42N6O3/c25-1
    7-11-10-15-21(23(32)30-33
    )29-22(31)16-7-5-3-1-2-4-
    6-12-19-13-8-9-14-20(19)1
    8-28-24(26)27/h8-9,13-14,
    21,33H,1-7,10-12,15-18,25
    H2,(H,29,31)(H,30,32)(H4,
    26,27,28)/t21-/m1/s1;
    DPKFTMHWVJEOMW-OAQYLSRUSA-N    		 NCCCC[CH](NC(=O)CCCCCCCCCc1ccccc1CNC(N)=
    N)C(=O)NO; [H]N=C(N)NCc1ccccc1CCCCCCCCCC
    (=O)NC(CCCCN)C(=O)NO; NCCCC[C@@H](NC(=O)
    CCCCCCCCCc1ccccc1CNC(N)=N)C(=O)NO; O=C(N
    O)C(NC(=O)CCCCCCCCCc1ccccc1CNC(=[N@H])N)
    CCCCN; [H]/N=C(/N)\NCc1ccccc1CCCCCCCCCC(
    =O)N[C@H](CCCCN)C(=O)NO    		 SM-25453;
    (2-(9-((R)-1-(HYDROXYCARBAMOYL)-5-AMINOPENTYLCARBAMOYL)NONYL)BENZYL)GUANIDINE;
    GUANIDINOMETHYLBENZIL D-LYSINE HYDROXAMATE
    20502
    FA5
    ZINC000031539924    		 4 C19 H23 N6 O8 P InChI=1S/C19H23N6O8P/c20-
    11(6-10-4-2-1-3-5-10)19(2
    8)33-34(29,30)31-7-12-14(
    26)15(27)18(32-12)25-9-24
    -13-16(21)22-8-23-17(13)2
    5/h1-5,8-9,11-12,14-15,18
    ,26-27H,6-7,20H2,(H,29,30
    )(H2,21,22,23)/t11-,12+,1
    4+,15+,18+/m0/s1;
    ZFNOOEXYTZPIQS-URQYDQELSA-N    		 O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O
    )C3O)C(N)Cc4ccccc4; c1ccc(cc1)CC(C(=O)OP
    (=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N
    ; N[CH](Cc1ccccc1)C(=O)O[P](O)(=O)OC[CH]
    2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34; c
    1ccc(cc1)C[C@@H](C(=O)O[P@@](=O)(O)OC[C@
    @H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N
    )O)O)N; N[C@@H](Cc1ccccc1)C(=O)O[P@](O)(
    =O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc
    4c(N)ncnc34    		 ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE]
    20503
    FA6
    CHEMBL363381
    DB03739    		 1 C7 H11 N O6 InChI=1S/C7H11NO6/c9-4-2-
    7(13,6(11)12)1-3(8-14)5(4
    )10/h4-5,9-10,13-14H,1-2H
    2,(H,11,12)/b8-3+/t4-,5-,
    7+/m1/s1;
    WASIBXJFRXJWAR-GKQOBJDDSA-N    		 O=C(O)C1(O)CC(=N\O)/C(O)C(O)C1; C1[C@H](
    [C@@H](/C(=N/O)/C[C@]1(C(=O)O)O)O)O; ON=
    C1C[C](O)(C[CH](O)[CH]1O)C(O)=O; O\N=C1/
    C[C@](O)(C[C@@H](O)[C@@H]1O)C(O)=O; C1C(
    C(C(=NO)CC1(C(=O)O)O)O)O    		 3-HYDROXYIMINO QUINIC ACID
    20504
    FA7    		 0 C9 H14 O2 InChI=1S/C9H14O2/c1-8(2)6
    -4-3-5-7-9(10)11/h3-5,7-8
    H,6H2,1-2H3,(H,10,11)/b4-
    3+,7-5-;
    ZPJFGJWTSDWBST-BZDQXIRASA-N    		 CC(C)CC=CC=CC(=O)O; CC(C)C\C=C\C=C/C(=O)
    O; O=C(O)/C=C\C=C\CC(C)C; CC(C)CC=CC=CC(
    O)=O; CC(C)C\C=C\C=C/C(O)=O    		 (2Z,4E)-7-methylocta-2,4-dienoic acid
    20505
    FA8
    ZINC000098208864    		 6 C27 H35 N9 O15 P2 InChI=1S/C27H35N9O15P2/c1
    -10-3-12-13(4-11(10)2)35(
    24-18(32-12)25(42)34-27(4
    3)33-24)5-14(37)19(39)15(
    38)6-48-52(44,45)51-53(46
    ,47)49-7-16-20(40)21(41)2
    6(50-16)36-9-31-17-22(28)
    29-8-30-23(17)36/h3-4,8-9
    ,14-16,18-21,26,32,37-41H
    ,5-7H2,1-2H3,(H,44,45)(H,
    46,47)(H2,28,29,30)(H,34,
    42,43)/t14-,15+,16+,18-,1
    9-,20+,21+,26+/m0/s1;
    SDBHOOIZTSVSKT-LDVRFEIFSA-N    		 Cc1cc2N[CH]3C(=O)NC(=O)N=C3N(C[CH](O)[CH
    ](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]
    4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2
    cc1C; Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3N2
    )CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)
    n5cnc6c5ncnc6N)O)O)O)O)O; Cc1cc2N[C@@H]3
    C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](
    O)CO[P](O)(=O)O[P](O)(=O)OC[C@H]4O[C@H](
    [C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C
    ; Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@H]3N2
    )C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@
    @](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)
    n5cnc6c5ncnc6N)O)O)O)O)O; O=C2NC(=O)N=C3
    N(c1cc(c(cc1NC23)C)C)CC(O)C(O)C(O)COP(=O
    )(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O
    )C6O    		 [[(2R,3S,4S)-5-[(4AS)-7,8-DIMETHYL-2,4-DIOXO-4A,5-DIHYDROBENZO[G]PTERIDIN-10-YL]-2,3,4-TRIHYDROXY-PENTOXY]-HYDROXY-PHOSPHORYL] [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL HYDROGEN PHOSPHATE
    20506
    FA9
    ZINC000263620959    		 1 C36 H43 N9 O16 P2 InChI=1S/C36H43N9O16P2/c1
    -16-8-20-21(9-17(16)2)45-
    25(48)10-19(18-6-4-3-5-7-
    18)36(45)33(41-35(53)42-3
    4(36)52)43(20)11-22(46)27
    (49)23(47)12-58-62(54,55)
    61-63(56,57)59-13-24-28(5
    0)29(51)32(60-24)44-15-40
    -26-30(37)38-14-39-31(26)
    44/h3-9,14-15,19,22-24,27
    -29,32-33,46-47,49-51H,10
    -13H2,1-2H3,(H,54,55)(H,5
    6,57)(H2,37,38,39)(H2,41,
    42,52,53)/t19-,22+,23-,24
    -,27+,28-,29-,32-,33-,36+
    /m1/s1;
    QWOOVYWBGZGGNV-ITRBMUPBSA-N    		 Cc1cc2c(cc1C)N3C(=O)CC(C34C(N2CC(C(C(COP
    (=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncn
    c7N)O)O)O)O)O)NC(=O)NC4=O)c8ccccc8; Cc1c
    c2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[
    P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cn
    c5c(N)ncnc45)[CH]6NC(=O)NC(=O)[C]67[CH](
    CC(=O)N7c2cc1C)c8ccccc8; Cc1cc2c(cc1C)N3
    C(=O)CC([C@@]34[C@@H](N2C[C@@H]([C@@H]([
    C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H](
    [C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O
    )NC(=O)NC4=O)c8ccccc8; Cc1cc2N(C[C@H](O)
    [C@H](O)[C@H](O)CO[P](O)(=O)O[P](O)(=O)O
    C[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N
    )ncnc45)[C@H]6NC(=O)NC(=O)[C@]67[C@H](CC
    (=O)N7c2cc1C)c8ccccc8; O=C4N2c1cc(c(cc1N
    (C5NC(=O)NC(=O)C25C(c3ccccc3)C4)CC(O)C(O
    )C(O)COP(=O)(O)OP(=O)(O)OCC8OC(n7cnc6c(n
    cnc67)N)C(O)C8O)C)C    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(3R,3aS,7aR)-10,11-dimethyl-1,4,6-trioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
    20507
    FAA    		 2 C34 H39 N9 O16 P2 InChI=1S/C34H39N9O16P2/c1
    -15-7-19-20(8-16(15)2)42(
    31-25(32(50)40-34(51)39-3
    1)41(19)9-17-3-5-18(44)6-
    4-17)10-21(45)26(47)22(46
    )11-56-60(52,53)59-61(54,
    55)57-12-23-27(48)28(49)3
    3(58-23)43-14-38-24-29(35
    )36-13-37-30(24)43/h3-8,1
    3-14,21-23,26-28,33,45-49
    H,9-12H2,1-2H3,(H5-,35,36
    ,37,40,44,50,51,52,53,54,
    55)/t21-,22+,23+,26-,27+,
    28+,33+/m0/s1;
    MEBQXAOFZPAVFQ-RAWNUJITSA-N    		 Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P]([O-]
    )(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]
    3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)C6=[N
    +](Cc7ccc(O)cc7)c2cc1C; Cc1cc2c(cc1C)[N+
    ](=C3C(=O)NC(=O)N=C3N2CC(C(C(COP(=O)([O-
    ])OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O
    )O)O)O)O)Cc7ccc(cc7)O; Cc1cc2c(cc1C)[N+]
    (=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@
    H](COP(=O)([O-])O[P@](=O)(O)OC[C@@H]4[C@
    H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)
    O)O)Cc7ccc(cc7)O; Cc1cc2N(C[C@H](O)[C@H]
    (O)[C@H](O)CO[P]([O-])(=O)O[P](O)(=O)OC[
    C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)n
    cnc45)C6=NC(=O)NC(=O)C6=[N+](Cc7ccc(O)cc
    7)c2cc1C    		 N5-(4-HYDROXYBENZYL)FLAVIN-ADENINE DINUCLEOTIDE
    20508
    FAB    		 10 C31 H39 N9 O16 P2 InChI=1S/C31H39N9O16P2/c1
    -12(2)29(47)40-16-6-14(4)
    13(3)5-15(16)38(27-21(40)
    28(46)37-31(48)36-27)7-17
    (41)22(43)18(42)8-53-57(4
    9,50)56-58(51,52)54-9-19-
    23(44)24(45)30(55-19)39-1
    1-35-20-25(32)33-10-34-26
    (20)39/h5-6,10-12,17-19,2
    2-24,30,41-45H,7-9H2,1-4H
    3,(H4-,32,33,34,37,46,48,
    49,50,51,52)/t17-,18+,19+
    ,22-,23+,24+,30+/m0/s1;
    VVZGWZAMSAFRNS-UYOVOMPXSA-N    		 CC(C)C(=O)[N+]1=C2C(=O)NC(=O)N=C2N(C[C@H
    ](O)[C@H](O)[C@H](O)CO[P]([O-])(=O)O[P](
    O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4
    cnc5c(N)ncnc45)c6cc(C)c(C)cc16; Cc1cc2c(
    cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C
    @@H]([C@@H](COP(=O)([O-])O[P@](=O)(O)OC[
    C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc
    6N)O)O)O)O)O)C(=O)C(C)C; Cc1cc2c(cc1C)[N
    +](=C3C(=O)NC(=O)N=C3N2CC(C(C(COP(=O)([O
    -])OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)
    O)O)O)O)O)C(=O)C(C)C; CC(C)C(=O)[N+]1=C2
    C(=O)NC(=O)N=C2N(C[CH](O)[CH](O)[CH](O)C
    O[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([C
    H](O)[CH]3O)n4cnc5c(N)ncnc45)c6cc(C)c(C)
    cc16    		 FLAVIN-ADENINE DINUCLEOTIDE-N5-ISOBUTYL KETONE
    20509
    FAC
    CHEMBL84242
    DB02922    		 1 C3 H2 F6 O2 InChI=1S/C3H2F6O2/c4-2(5,
    6)1(10,11)3(7,8)9/h10-11H;
    AKVXSYUWYXOLMY-UHFFFAOYSA-N    		 C(C(F)(F)F)(C(F)(F)F)(O)O; FC(F)(F)C(O)(
    O)C(F)(F)F; OC(O)(C(F)(F)F)C(F)(F)F    		 1,1,1,3,3,3-HEXAFLUOROPROPANEDIOL;
    HEXAFLUOROACETONE HYDRATE
    20510
    FAD
    CHEMBL1232653
    DB03147
    ZINC000008215434    		 7419 C27 H33 N9 O15 P2 InChI=1S/C27H33N9O15P2/c1
    -10-3-12-13(4-11(10)2)35(
    24-18(32-12)25(42)34-27(4
    3)33-24)5-14(37)19(39)15(
    38)6-48-52(44,45)51-53(46
    ,47)49-7-16-20(40)21(41)2
    6(50-16)36-9-31-17-22(28)
    29-8-30-23(17)36/h3-4,8-9
    ,14-16,19-21,26,37-41H,5-
    7H2,1-2H3,(H,44,45)(H,46,
    47)(H2,28,29,30)(H,34,42,
    43)/t14-,15+,16+,19-,20+,
    21+,26+/m0/s1;
    VWWQXMAJTJZDQX-UYBVJOGSSA-N    		 Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H
    ](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC
    [C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)
    ncnc56)c2cc1C; Cc1cc2c(cc1C)N(C3=NC(=O)N
    C(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC
    4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O; Cc1c
    c2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H](
    [C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)
    OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5n
    cnc6N)O)O)O)O)O; Cc1cc2N=C3C(=O)NC(=O)N=
    C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[
    P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cn
    c6c(N)ncnc56)c2cc1C; O=C2C3=Nc1cc(c(cc1N
    (C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=
    O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C    		 FLAVIN-ADENINE DINUCLEOTIDE
    20511
    FAE
    DB02332    		 4 C27 H34 N9 O15 P2 InChI=1S/C27H33N9O15P2/c1
    -10-3-12-13(4-11(10)2)35(
    24-18(32-12)25(42)34-27(4
    3)33-24)5-14(37)19(39)15(
    38)6-48-52(44,45)51-53(46
    ,47)49-7-16-20(40)21(41)2
    6(50-16)36-9-31-17-22(28)
    29-8-30-23(17)36/h3-4,8-9
    ,14-16,19-21,26,37-41H,5-
    7H2,1-2H3,(H,44,45)(H,46,
    47)(H2,28,29,30)(H,34,42,
    43)/p+1/t14-,15+,16+,19-,
    20+,21+,26+/m0/s1;
    VWWQXMAJTJZDQX-UYBVJOGSSA-O    		 Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](
    O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O
    [CH]([CH](O)[CH]4O)n5c[nH+]c6c(N)ncnc56)
    c2cc1C; Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3
    =N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)
    O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](
    O4)n5c[nH+]c6c5ncnc6N)O)O)O)O)O; Cc1cc2N
    =C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@
    H](O)CO[P](O)(=O)O[P](O)(=O)OC[C@H]4O[C@
    H]([C@H](O)[C@@H]4O)n5c[nH+]c6c(N)ncnc56
    )c2cc1C; Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C
    3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C
    (O4)n5c[nH+]c6c5ncnc6N)O)O)O)O)O; O=C2C3
    =Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)C
    OP(=O)(O)OP(=O)(O)OCC6OC(n5c[nH+]c4c(ncn
    c45)N)C(O)C6O)C)C    		 FLAVIN-N7 PROTONATED-ADENINE DINUCLEOTIDE
    20512
    FAF
    DB07749
    ZINC000003874344    		 2 C17 H24 N2 O3 InChI=1S/C17H24N2O3/c1-12
    (2)9-16(18-13(3)21)17(22)
    19-15(11-20)10-14-7-5-4-6
    -8-14/h4-8,11-12,15-16H,9
    -10H2,1-3H3,(H,18,21)(H,1
    9,22)/t15-,16-/m0/s1;
    QRDDFQYJOFVDNR-HOTGVXAUSA-N    		 CC(C)C[CH](NC(C)=O)C(=O)N[CH](Cc1ccccc1)
    C=O; CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc
    1ccccc1)C=O; O=C(NC(C(=O)NC(C=O)Cc1ccccc
    1)CC(C)C)C; CC(C)C[C@@H](C(=O)N[C@@H](Cc
    1ccccc1)C=O)NC(=O)C; CC(C)CC(C(=O)NC(Cc1
    ccccc1)C=O)NC(=O)C    		 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE
    20513
    FAG
    ZINC000058632458    		 0 C27 H28 N5 O15 P InChI=1S/C27H28N5O15P/c1-
    42-11-5-12-17(21-16(11)8-
    2-3-9(34)15(8)25(38)46-21
    )18-20(36)24(47-26(18)45-
    12)32(7-33)19-22(30-27(28
    )31-23(19)37)29-14-4-10(3
    5)13(44-14)6-43-48(39,40)
    41/h5,7,10,13-14,18,20,24
    ,26,35-36H,2-4,6H2,1H3,(H
    2,39,40,41)(H4,28,29,30,3
    1,37)/t10-,13+,14+,18+,20
    +,24+,26-/m0/s1;
    ATYDIVLPRYGUHN-MHRKVAGWSA-N    		 COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)C5C(C
    (OC5O2)N(C=O)C6=C(N=C(NC6=O)N)NC7CC(C(O7
    )COP(=O)(O)O)O)O; COc1cc2O[CH]3O[CH]([CH
    ](O)[CH]3c2c4OC(=O)C5=C(CCC5=O)c14)N(C=O
    )C6=C(N[CH]7C[CH](O)[CH](CO[P](O)(O)=O)O
    7)N=C(N)NC6=O; O=P(O)(O)OCC7OC(NC=1N=C(N
    )NC(=O)C=1N(C=O)C5OC6Oc4cc(OC)c3c(OC(=O)
    C=2C(=O)CCC=23)c4C6C5O)CC7O; COc1cc2c(c3
    c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5[C@H]([C@
    @H](O[C@@H]5O2)N(C=O)C6=C(N=C(NC6=O)N)N[
    C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)O; C
    Oc1cc2O[C@H]3O[C@H]([C@H](O)[C@H]3c2c4OC
    (=O)C5=C(CCC5=O)c14)N(C=O)C6=C(N[C@H]7C[
    C@H](O)[C@@H](CO[P](O)(O)=O)O7)N=C(N)NC6
    =O    		 [1',2'-DIDEOXY[2-AMINO-5-([9-HYDROXY-AFLATOXINB2-8-YL]-FORMYL-AMINO)-6-OXO-1,6-IHYDRO-PYRIMIDIN-4-YLAMINO]-RIBOFURANOSE]-5-MONOPHOSPHATE GROUP
    20514
    FAH
    CHEMBL509273
    ZINC000004658594    		 67 C2 H3 F O2 InChI=1S/C2H3FO2/c3-1-2(4
    )5/h1H2,(H,4,5);
    QEWYKACRFQMRMB-UHFFFAOYSA-N    		 OC(=O)CF; C(C(=O)O)F; FCC(=O)O fluoroacetic acid
    20515
    FAI
    CHEMBL521310    		 1 C10 H15 N4 O9 P InChI=1S/C10H15N4O9P/c11-
    8(18)5-9(13-3-15)14(2-12-
    5)10-7(17)6(16)4(23-10)1-
    22-24(19,20)21/h2-4,6-7,1
    0,16-17H,1H2,(H2,11,18)(H
    ,13,15)(H2,19,20,21)/t4-,
    6-,7-,10-/m1/s1;
    ABCOOORLYAOBOZ-KQYNXXCUSA-N    		 c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO
    P(=O)(O)O)O)O)NC=O)C(=O)N; O=CNc1c(ncn1C
    2OC(C(O)C2O)COP(=O)(O)O)C(=O)N; c1nc(c(n
    1C2C(C(C(O2)COP(=O)(O)O)O)O)NC=O)C(=O)N;
    NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[C
    H](O)[CH]2O)c1NC=O; NC(=O)c1ncn([C@@H]2O
    [C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)c1N
    C=O    		 5-(formylamino)-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide
    20516
    FAJ
    ZINC000263620555    		 2 C36 H43 N9 O16 P2 InChI=1S/C36H43N9O16P2/c1
    -16-8-20-21(9-17(16)2)45-
    25(48)10-19(18-6-4-3-5-7-
    18)36(45)33(41-35(53)42-3
    4(36)52)43(20)11-22(46)27
    (49)23(47)12-58-62(54,55)
    61-63(56,57)59-13-24-28(5
    0)29(51)32(60-24)44-15-40
    -26-30(37)38-14-39-31(26)
    44/h3-9,14-15,19,22-25,27
    -29,32,46-51H,10-13H2,1-2
    H3,(H,54,55)(H,56,57)(H2,
    37,38,39)(H,42,52,53)/t19
    -,22+,23-,24-,25-,27+,28-
    ,29-,32-,36+/m1/s1;
    ILGFMEOMSHHKRB-LHVNJQMSSA-N    		 Cc1cc2N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O
    )(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[
    C@@H]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)
    [C@]67[C@H](C[C@@H](O)N7c2cc1C)c8ccccc8;
    O=C4NC(=O)N=C5N(c1cc(c(cc1N3C(O)CC(c2cc
    ccc2)C345)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(
    =O)(O)OCC8OC(n7cnc6c(ncnc67)N)C(O)C8O; C
    c1cc2c(cc1C)N3C(CC(C34C(=O)NC(=O)N=C4N2C
    C(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6
    cnc7c6ncnc7N)O)O)O)O)O)c8ccccc8)O; Cc1cc
    2c(cc1C)N3[C@@H](C[C@@H]([C@]34C(=O)NC(=
    O)N=C4N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)
    OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)
    n6cnc7c6ncnc7N)O)O)O)O)O)c8ccccc8)O; Cc1
    cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O
    [P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4c
    nc5c(N)ncnc45)C6=NC(=O)NC(=O)[C]67[CH](C
    [CH](O)N7c2cc1C)c8ccccc8    		 FAD-trans-2-Phenylcyclopropylamine Adduct;
    FAD-PCPA Adduct
    20517
    FAK
    ZINC000002384794    		 0 C8 H13 F3 N2 O3 InChI=1S/C8H13F3N2O3/c9-8
    (10,11)7(16)13-4-2-1-3-5(
    12)6(14)15/h5H,1-4,12H2,(
    H,13,16)(H,14,15)/t5-/m0/
    s1;
    PZZHRSVBHRVIMI-YFKPBYRVSA-N    		 C(CCNC(=O)C(F)(F)F)C[C@@H](C(=O)O)N; C(C
    CNC(=O)C(F)(F)F)CC(C(=O)O)N; N[CH](CCCCN
    C(=O)C(F)(F)F)C(O)=O; O=C(O)C(N)CCCCNC(=
    O)C(F)(F)F; N[C@@H](CCCCNC(=O)C(F)(F)F)C
    (O)=O    		 N~6~-(trifluoroacetyl)-L-lysine
    20518
    FAL
    DB07750
    ZINC000000602494    		 1 C21 H23 Cl2 N5 O2 InChI=1S/C21H23Cl2N5O2/c1
    -28(2)12-16(29)13-30-17-6
    -4-15(5-7-17)25-21-24-10-
    9-20(27-21)26-19-11-14(22
    )3-8-18(19)23/h3-11,16,29
    H,12-13H2,1-2H3,(H2,24,25
    ,26,27)/t16-/m1/s1;
    GNLAGGCSJGJECE-MRXNPFEDSA-N    		 CN(C)CC(COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc
    3Cl)Cl)O; CN(C)C[C@H](COc1ccc(cc1)Nc2ncc
    c(n2)Nc3cc(ccc3Cl)Cl)O; Clc1cc(c(Cl)cc1)
    Nc2nc(ncc2)Nc3ccc(OCC(O)CN(C)C)cc3; CN(C
    )C[CH](O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl
    )n2)cc1; CN(C)C[C@@H](O)COc1ccc(Nc2nccc(
    Nc3cc(Cl)ccc3Cl)n2)cc1    		 (2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL
    20519
    FAM
    ZINC000098208865    		 1 C23 H38 F N8 O17 P3 InChI=1S/C23H38FN8O17P3/c
    1-23(2,17(35)21(37)28-6-4
    -13(33)27-5-3-11(24)19(26
    )36)8-46-52(43,44)49-51(4
    1,42)45-7-12-16(48-50(38,
    39)40)15(34)22(47-12)32-1
    0-31-14-18(25)29-9-30-20(
    14)32/h9-12,15-17,22,34-3
    5H,3-8H2,1-2H3,(H2,26,36)
    (H,27,33)(H,28,37)(H,41,4
    2)(H,43,44)(H2,25,29,30)(
    H2,38,39,40)/t11-,12-,15-
    ,16-,17+,22-/m1/s1;
    AXBPCHJFKHSRQL-SYSIYMLXSA-N    		 CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]
    1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)
    OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCC[C@H](C
    (=O)N)F)O; CC(C)(CO[P](O)(=O)O[P](O)(=O)
    OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2
    cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCC[C
    H](F)C(N)=O; CC(C)(COP(=O)(O)OP(=O)(O)OC
    C1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C
    (C(=O)NCCC(=O)NCCC(C(=O)N)F)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)NCC[C@@H](F)C(N)=O
    ; O=C(N)C(F)CCNC(=O)CCNC(=O)C(O)C(C)(C)C
    OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)
    N)C(O)C3OP(=O)(O)O    		 ALPHA-FLUORO-AMIDOCARBOXYMETHYLDETHIA COENZYME A COMPLEX
    20520
    FAN
    CHEMBL1232659
    ZINC000013550498    		 2 C7 H7 N O InChI=1S/C7H7NO/c9-6-8-7-
    4-2-1-3-5-7/h1-6H,(H,8,9);
    DYDNPESBYVVLBO-UHFFFAOYSA-N    		 O=CNc1ccccc1; c1ccc(cc1)NC=O FORMANILIDE
    20521
    FAO
    ZINC000098208866    		 6 C27 H37 N9 O15 P2 InChI=1S/C27H37N9O15P2/c1
    -10-3-12-13(4-11(10)2)35(
    24-18(32-12)25(42)34-27(4
    3)33-24)5-14(37)19(39)15(
    38)6-48-52(44,45)51-53(46
    ,47)49-7-16-20(40)21(41)2
    6(50-16)36-9-31-17-22(28)
    29-8-30-23(17)36/h3-4,8-9
    ,14-16,18-21,24,26,32,37-
    41H,5-7H2,1-2H3,(H,44,45)
    (H,46,47)(H2,28,29,30)(H2
    ,33,34,42,43)/t14-,15+,16
    +,18-,19-,20+,21+,24+,26+
    /m0/s1;
    VSWYNLHGQAGAHX-AWYOOINRSA-N    		 Cc1cc2N[C@H]3[C@H](NC(=O)NC3=O)N(C[C@H](
    O)[C@H](O)[C@H](O)CO[P@@](O)(=O)O[P@](O)
    (=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cn
    c6c(N)ncnc56)c2cc1C; Cc1cc2c(cc1C)[N@@](
    [C@@H]3[C@H](N2)C(=O)NC(=O)N3)C[C@@H]([C
    @@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC
    [C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncn
    c6N)O)O)O)O)O; O=C2NC(=O)NC3N(c1cc(c(cc1
    NC23)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O
    )OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O; Cc1cc2
    c(cc1C)N(C3C(N2)C(=O)NC(=O)N3)CC(C(C(COP
    (=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncn
    c6N)O)O)O)O)O; Cc1cc2N[CH]3[CH](NC(=O)NC
    3=O)N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)
    O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5
    cnc6c(N)ncnc56)c2cc1C    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(4aS,10aR)-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
    20522
    FAP
    DB07751
    ZINC000003581447    		 1 C21 H23 F2 N5 O2 InChI=1S/C21H23F2N5O2/c1-
    28(2)11-15(29)12-30-16-8-
    6-14(7-9-16)26-19-10-20(2
    5-13-24-19)27-21-17(22)4-
    3-5-18(21)23/h3-10,13,15,
    29H,11-12H2,1-2H3,(H2,24,
    25,26,27)/t15-/m0/s1;
    ZVSBKYYVBCKDBO-HNNXBMFYSA-N    		 CN(C)C[C@@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3c
    (cccc3F)F)O; CN(C)C[C@H](O)COc1ccc(Nc2cc
    (Nc3c(F)cccc3F)ncn2)cc1; CN(C)C[CH](O)CO
    c1ccc(Nc2cc(Nc3c(F)cccc3F)ncn2)cc1; CN(C
    )CC(COc1ccc(cc1)Nc2cc(ncn2)Nc3c(cccc3F)F
    )O; Fc1cccc(F)c1Nc3ncnc(Nc2ccc(OCC(O)CN(
    C)C)cc2)c3    		 (2S)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL
    20523
    FAQ    		 2 C29 H42 N7 O17 P3 S InChI=1S/C29H42N7O17P3S/c
    1-29(2,24(40)27(41)32-9-8
    -19(37)31-10-11-57-20(38)
    12-17-6-4-3-5-7-17)14-50-
    56(47,48)53-55(45,46)49-1
    3-18-23(52-54(42,43)44)22
    (39)28(51-18)36-16-35-21-
    25(30)33-15-34-26(21)36/h
    3-7,15-16,18,22-24,28,39-
    40H,8-14H2,1-2H3,(H,31,37
    )(H,32,41)(H,45,46)(H,47,
    48)(H2,30,33,34)(H2,42,43
    ,44)/t18-,22-,23-,24+,28-
    /m1/s1;
    ZIGIFDRJFZYEEQ-CECATXLMSA-N    		 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)
    Cc4ccccc4; CC(C)(CO[P](O)(=O)O[P](O)(=O)
    OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2
    cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC
    (=O)Cc4ccccc4; CC(C)(CO[P@](=O)(O)O[P@@]
    (=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2
    cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCC
    C(=O)NCCSC(=O)Cc4ccccc4)O; CC(C)(COP(=O)
    (O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)
    O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)Cc4
    ccccc4)O; O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(
    C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc
    12)N)C(O)C3OP(=O)(O)O)Cc4ccccc4    		 Phenylacetyl coenzyme A
    20524
    FAR    		 66 C15 H26 InChI=1S/C15H26/c1-6-14(4
    )10-8-12-15(5)11-7-9-13(2
    )3/h6,9,12H,7-8,10-11H2,1
    -5H3/b14-6+,15-12+;
    JXBSHSBNOVLGHF-BUJBXKITSA-N    		 CC=C(C)CCC=C(C)CCC=C(C)C; C\C=C(/C)\CC\C
    =C(/C)\CCC=C(C)C; C\C=C(C)\CC\C=C(C)\CCC
    =C(C)C; C(=C/C)(\CC/C=C(/CC/C=C(\C)C)C)C    		 FARNESYL
    20525
    FAS
    ZINC000008215440    		 9 C27 H33 N9 O15 P2 InChI=1S/C27H33N9O15P2/c1
    -10-3-12-13(4-11(10)2)35(
    24-18(32-12)25(42)34-27(4
    3)33-24)5-14(37)19(39)15(
    38)6-48-52(44,45)51-53(46
    ,47)49-7-16-20(40)21(41)2
    6(50-16)36-9-31-17-22(28)
    29-8-30-23(17)36/h3-4,8-9
    ,14-16,19-21,26,37-41H,5-
    7H2,1-2H3,(H,44,45)(H,46,
    47)(H2,28,29,30)(H,34,42,
    43)/t14-,15-,16-,19+,20-,
    21-,26-/m1/s1;
    VWWQXMAJTJZDQX-WCVIGVMNSA-N    		 Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@@H](O)[C@
    H](O)[C@H](O)CO[P@@](O)(=O)O[P@](O)(=O)O
    C[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N
    )ncnc56)c2cc1C; Cc1cc2c(cc1C)N(C3=NC(=O)
    NC(=O)C3=N2)C[C@H]([C@@H]([C@@H](CO[P@](
    =O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](
    [C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O; Cc1c
    c2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(C
    OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5n
    cnc6N)O)O)O)O)O; Cc1cc2N=C3C(=O)NC(=O)N=
    C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[
    P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cn
    c6c(N)ncnc56)c2cc1C; O=C2C3=Nc1cc(c(cc1N
    (C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=
    O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C    		 ARABINO-FLAVIN-ADENINE DINUCLEOTIDE
    20526
    FAT    		 0 C16 H32 O2 InChI=1/C16H32O2/c1-2-3-4
    -5-6-7-8-9-10-11-12-13-14
    -15-16(17)18/h2-15H2,1H3,
    (H,17,18)/f/h17H;
    IPCSVZSSVZVIGE-HCKMINDGCQ    		 CCCCCCCCCCCCCCCC(=O)O; O=C(O)CCCCCCCCCCC
    CCCC; CCCCCCCCCCCCCCCC(O)=O    		 1-HEXYLDECANOIC ACID
    20527
    FAV
    CHEMBL1796267
    ZINC000005050688    		 1 C19 H14 Cl N O2 S InChI=1S/C19H14ClNO2S/c1-
    21(15-8-4-3-7-14(15)20)19
    (22)17-10-12-11-23-16-9-5
    -2-6-13(16)18(12)24-17/h2
    -10H,11H2,1H3;
    PCSYEOAUKWBYOX-UHFFFAOYSA-N    		 CN(c1ccccc1Cl)C(=O)c2cc3c(s2)-c4ccccc4OC
    3; Clc1ccccc1N(C(=O)c3sc2c4ccccc4OCc2c3)
    C; CN(C(=O)c1sc2c(COc3ccccc23)c1)c4ccccc
    4Cl    		 N-(2-chlorophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
    20528
    FAW
    ZINC000030731360    		 2 C31 H60 O5 InChI=1S/C31H60O5/c1-3-5-
    7-9-11-13-15-17-19-21-23-
    25-30(33)35-28-29(27-32)3
    6-31(34)26-24-22-20-18-16
    -14-12-10-8-6-4-2/h29,32H
    ,3-28H2,1-2H3/t29-/m0/s1;
    JFBCSFJKETUREV-LJAQVGFWSA-N    		 CCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCC
    CCCCCCC; O=C(OCC(CO)OC(=O)CCCCCCCCCCCCC)
    CCCCCCCCCCCCC; CCCCCCCCCCCCCC(=O)OC[C@H]
    (CO)OC(=O)CCCCCCCCCCCCC; CCCCCCCCCCCCCC(
    =O)OCC(CO)OC(=O)CCCCCCCCCCCCC    		 (2S)-3-hydroxypropane-1,2-diyl ditetradecanoate
    20529
    FAX
    ZINC000098208868    		 0 C11 H18 N5 O6 P InChI=1S/C11H18N5O6P/c12-
    10-9(15-5-17)11(14-4-13-1
    0)16-7-1-6(8(18)2-7)3-22-
    23(19,20)21/h4-8,18H,1-3H
    2,(H,15,17)(H2,19,20,21)(
    H3,12,13,14,16)/t6-,7-,8+
    /m1/s1;
    DELGOZVNUACBKX-PRJMDXOYSA-N    		 c1nc(c(c(n1)NC2CC(C(C2)O)COP(=O)(O)O)NC=
    O)N; Nc1ncnc(N[CH]2C[CH](O)[CH](CO[P](O)
    (O)=O)C2)c1NC=O; Nc1ncnc(N[C@H]2C[C@H](O
    )[C@@H](CO[P](O)(O)=O)C2)c1NC=O; c1nc(c(
    c(n1)N[C@@H]2C[C@@H]([C@H](C2)O)COP(=O)(
    O)O)NC=O)N; O=P(O)(O)OCC2CC(Nc1ncnc(N)c1
    NC=O)CC2O    		 [(1R,2S,4R)-4-{[6-amino-5-(formylamino)pyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate
    20530
    FAY
    ZINC000098208869    		 6 C27 H31 N9 O16 P2 InChI=1S/C27H31N9O16P2/c1
    -10-2-12-13(3-11(10)5-37)
    35(24-18(32-12)25(43)34-2
    7(44)33-24)4-14(38)19(40)
    15(39)6-49-53(45,46)52-54
    (47,48)50-7-16-20(41)21(4
    2)26(51-16)36-9-31-17-22(
    28)29-8-30-23(17)36/h2-3,
    5,8-9,14-16,19-21,26,38-4
    2H,4,6-7H2,1H3,(H,45,46)(
    H,47,48)(H2,28,29,30)(H,3
    4,43,44)/t14-,15+,16+,19-
    ,20+,21+,26+/m0/s1;
    WPPWMPSQWPJDHE-UYBVJOGSSA-N    		 Cc1cc2c(cc1C=O)N(C3=NC(=O)NC(=O)C3=N2)C[
    C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@]
    (=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5
    cnc6c5ncnc6N)O)O)O)O)O; Cc1cc2N=C3C(=O)N
    C(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P
    ](O)(=O)O[P](O)(=O)OC[C@H]4O[C@H]([C@H](
    O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C=O; Cc
    1cc2c(cc1C=O)N(C3=NC(=O)NC(=O)C3=N2)CC(C
    (C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc
    6c5ncnc6N)O)O)O)O)O; Cc1cc2N=C3C(=O)NC(=
    O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=
    O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)
    n5cnc6c(N)ncnc56)c2cc1C=O; O=Cc2c(cc3N=C
    1C(=O)NC(=O)N=C1N(c3c2)CC(O)C(O)C(O)COP(
    =O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C
    (O)C6O)C    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(8-formyl-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate;
    8-FORMYL-FLAVIN-ADENINE DINUCLEOTIDE
    20531
    FAZ
    CHEMBL1796273
    ZINC000072175025    		 1 C22 H19 Cl N2 O3 S InChI=1S/C22H19ClN2O3S/c1
    -13(26)24-15-7-8-16-19(12
    -15)28-10-9-14-11-20(29-2
    1(14)16)22(27)25(2)18-6-4
    -3-5-17(18)23/h3-8,11-12H
    ,9-10H2,1-2H3,(H,24,26);
    RTUHEKLMDKJAQG-UHFFFAOYSA-N    		 Clc1ccccc1N(C(=O)c3sc2c4ccc(NC(=O)C)cc4O
    CCc2c3)C; CN(C(=O)c1sc2c(CCOc3cc(NC(C)=O
    )ccc23)c1)c4ccccc4Cl; CC(=O)Nc1ccc-2c(c1
    )OCCc3c2sc(c3)C(=O)N(C)c4ccccc4Cl    		 8-(acetylamino)-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
    20532
    FB
    ZINC000033821291    		 10 C13 H18 N2 O8 InChI=1S/C13H18N2O8/c1-11
    (21,6-17)8(18)13-10(20)14
    -12(22,9(19)15-13)7(2-4-1
    6)3-5-23-13/h2,4,8,17-18,
    21-22H,3,5-6H2,1H3,(H,14,
    20)(H,15,19)/b7-2-/t8-,11
    -,12+,13-/m0/s1;
    OWCIDQJNPLMOMK-QQMRGYPNSA-N    		 CC(CO)(C(C12C(=O)NC(C(=CC=O)CCO1)(C(=O)N
    2)O)O)O; C[C@](O)(CO)[C@H](O)[C@@]12NC(=
    O)[C@@](O)(NC1=O)\C(CCO2)=C/C=O; O=C2NC1
    (OCCC(=C\C=O)\C2(O)NC1=O)C(O)C(O)(C)CO;
    C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(=C
    C=O)CCO1)(C(=O)N2)O)O)O; C[C](O)(CO)[CH]
    (O)[C]12NC(=O)[C](O)(NC1=O)C(CCO2)=CC=O    		 5A-FORMYLBICYCLOMYCIN
    20533
    FB0
    ZINC000098208870    		 1 C27 H49 N9 O15 P2 InChI=1S/C27H49N9O15P2/c1
    -14(4-6-28)15(2)5-7-35(12
    -33-27(43)34-16(3)37)8-17
    (38)21(40)18(39)9-48-52(4
    4,45)51-53(46,47)49-10-19
    -22(41)23(42)26(50-19)36-
    13-32-20-24(29)30-11-31-2
    5(20)36/h11,13-15,17-19,2
    1-23,26,38-42H,4-10,12,28
    H2,1-3H3,(H,44,45)(H,46,4
    7)(H2,29,30,31)(H2,33,34,
    37,43)/t14-,15+,17+,18-,1
    9-,21+,22-,23-,26-/m1/s1;
    GXAQOPQBDYJNIO-CCGDWWFSSA-N    		 O=C(NC(=O)NCN(CCC(C)C(C)CCN)CC(O)C(O)C(O
    )COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc1
    2)N)C(O)C3O)C; CC(CCN)C(C)CCN(CC(C(C(COP
    (=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncn
    c3N)O)O)O)O)O)CNC(=O)NC(=O)C; C[C@H](CCN
    )[C@@H](C)CCN(CNC(=O)NC(C)=O)C[C@H](O)[C
    @H](O)[C@H](O)CO[P](O)(=O)O[P](O)(=O)OC[
    C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)n
    cnc23; C[CH](CCN)[CH](C)CCN(CNC(=O)NC(C)
    =O)C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P
    ](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc
    3c(N)ncnc23; C[C@H](CCN)[C@@H](C)CCN(C[C
    @@H]([C@@H]([C@@H](COP(=O)(O)O[P@](=O)(O
    )OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2
    ncnc3N)O)O)O)O)O)CNC(=O)NC(=O)C
    20534
    FB1
    CHEMBL367983
    ZINC000000295271    		 1 C6 H6 Cl N O2 S InChI=1S/C6H6ClNO2S/c7-5-
    3-1-2-4-6(5)11(8,9)10/h1-
    4H,(H2,8,9,10);
    JCCBZCMSYUSCFM-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccccc1Cl; c1ccc(c(c1)S(=O)
    (=O)N)Cl; O=S(=O)(c1ccccc1Cl)N    		 2-CHLOROBENZENESULFONAMIDE
    20535
    FB2
    CHEMBL27601
    ZINC000000330150    		 12 C6 H7 N O2 S InChI=1S/C6H7NO2S/c7-10(8
    ,9)6-4-2-1-3-5-6/h1-5H,(H
    2,7,8,9);
    KHBQMWCZKVMBLN-UHFFFAOYSA-N    		 c1ccc(cc1)S(=O)(=O)N; N[S](=O)(=O)c1cccc
    c1; O=S(=O)(N)c1ccccc1    		 benzenesulfonamide
    20536
    FB4
    ZINC000058631689    		 2 C12 H9 Cl2 N O2 InChI=1S/C12H9Cl2NO2/c13-
    7-1-3-11(9(15)5-7)17-12-4
    -2-8(14)6-10(12)16/h1-6,1
    6H,15H2;
    ZNHVVJUATLQYST-UHFFFAOYSA-N    		 Nc1cc(Cl)ccc1Oc2ccc(Cl)cc2O; c1cc(c(cc1C
    l)N)Oc2ccc(cc2O)Cl    		 2-(2-amino-4-chlorophenoxy)-5-chlorophenol
    20537
    FB5
    ZINC000170145029    		 1 C7 H14 B F2 N O4 InChI=1S/C7H14BF2NO4/c9-5
    (10)7(11,6(12)13)3-1-2-4-
    8(14)15/h5,14-15H,1-4,11H
    2,(H,12,13)/t7-/m1/s1;
    QIYCLWKKKPVZJC-SSDOTTSWSA-N    		 B(CCCCC(C(F)F)(C(=O)O)N)(O)O; N[C](CCCCB
    (O)O)(C(F)F)C(O)=O; B(CCCC[C@@](C(F)F)(C
    (=O)O)N)(O)O; N[C@](CCCCB(O)O)(C(F)F)C(O
    )=O; FC(F)C(N)(C(=O)O)CCCCB(O)O    		 2-(difluoromethyl)-6-(dihydroxyboranyl)-L-norleucine
    20538
    FB6
    ZINC000170145026    		 1 C7 H16 B N O4 InChI=1S/C7H16BNO4/c1-7(9
    ,6(10)11)4-2-3-5-8(12)13/
    h12-13H,2-5,9H2,1H3,(H,10
    ,11)/t7-/m0/s1;
    VJCNFQNUKLFMMR-ZETCQYMHSA-N    		 B(CCCCC(C)(C(=O)O)N)(O)O; O=C(O)C(N)(CCC
    CB(O)O)C; C[C@](N)(CCCCB(O)O)C(O)=O; C[C
    ](N)(CCCCB(O)O)C(O)=O    		 6-(dihydroxyboranyl)-2-methyl-L-norleucine
    20539
    FB7
    CHEMBL5192813
    ZINC000147646972    		 3 C19 H22 F3 N5 O2 InChI=1S/C19H22F3N5O2/c20
    -19(21,22)15-11-16(23)24-
    12-14(15)13-9-17(26-1-5-2
    8-6-2-26)25-18(10-13)27-3
    -7-29-8-4-27/h9-12H,1-8H2
    ,(H2,23,24);
    PYIZPPLCBSHXDH-UHFFFAOYSA-N    		 c1c(cc(nc1N2CCOCC2)N3CCOCC3)c4cnc(cc4C(F
    )(F)F)N; Nc1cc(c(cn1)c2cc(nc(c2)N3CCOCC3
    )N4CCOCC4)C(F)(F)F    		 5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;
    MBT147
    20540
    FB8
    CHEMBL488436
    ZINC000040442496    		 6 C18 H21 N5 O2 S InChI=1S/C18H21N5O2S/c1-1
    2(2)23-13(3)20-11-17(23)1
    6-9-10-19-18(22-16)21-14-
    5-7-15(8-6-14)26(4,24)25/
    h5-12H,1-4H3,(H,19,21,22);
    WJRRGYBTGDJBFX-UHFFFAOYSA-N    		 Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O
    )(=O)C; CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3
    )[S](C)(=O)=O)n2    		 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine
    20541
    FB9    		 1 C34 H37 N3 O5 InChI=1S/C34H37N3O5/c1-41
    -22-30-33(25-11-9-24(10-1
    2-25)8-7-23-5-3-2-4-6-23)
    29-19-36(20-31(38)32(39)2
    1-37(29)30)34(40)35-26-13
    -15-27(16-14-26)42-28-17-
    18-28/h2-6,9-16,28-33,38-
    39H,17-22H2,1H3,(H,35,40)
    /t29-,30+,31+,32-,33+/m0/
    s1;
    DJCBDEOPQMQGCA-AXJMTRDLSA-N    		 COC[CH]1[CH]([CH]2CN(C[CH](O)[CH](O)CN12
    )C(=O)Nc3ccc(OC4CC4)cc3)c5ccc(cc5)C#Cc6c
    cccc6; COCC1C(C2N1CC(C(CN(C2)C(=O)Nc3ccc
    (cc3)OC4CC4)O)O)c5ccc(cc5)C#Cc6ccccc6; C
    OC[C@@H]1[C@@H]([C@H]2N1C[C@@H]([C@@H](C
    N(C2)C(=O)Nc3ccc(cc3)OC4CC4)O)O)c5ccc(cc
    5)C#Cc6ccccc6; COC[C@@H]1[C@@H]([C@@H]2C
    N(C[C@@H](O)[C@@H](O)CN12)C(=O)Nc3ccc(OC
    4CC4)cc3)c5ccc(cc5)C#Cc6ccccc6    		 (3S,4R,8R,9R,10S)-N-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
    20542
    FBA
    DB03243    		 1 C7 H9 F N InChI=1S/C7H8FN/c8-7-3-1-
    6(5-9)2-4-7/h1-4H,5,9H2/p
    +1;
    IIFVWLUQBAIPMJ-UHFFFAOYSA-O    		 Fc1ccc(cc1)C[NH3+]; c1cc(ccc1C[NH3+])F;
    [NH3+]Cc1ccc(F)cc1    		 4-FLUOROBENZYLAMINE
    20543
    FBB
    CHEMBL98406
    ZINC000017744334    		 12 C7 H5 F N2 S InChI=1S/C7H5FN2S/c8-4-1-
    2-5-6(3-4)11-7(9)10-5/h1-
    3H,(H2,9,10);
    CJLUXPZQUXVJNF-UHFFFAOYSA-N    		 c1cc2c(cc1F)sc(n2)N; Nc1sc2cc(F)ccc2n1;
    Fc1ccc2nc(sc2c1)N    		 6-fluoro-1,3-benzothiazol-2-amine
    20544
    FBC
    CHEMBL432234
    DB07753
    ZINC000002513032    		 2 C13 H8 F2 O2 InChI=1S/C13H8F2O2/c14-11
    -5-10(6-12(15)7-11)8-1-3-
    9(4-2-8)13(16)17/h1-7H,(H
    ,16,17);
    VCEFNMHMLWBFNV-UHFFFAOYSA-N    		 c1cc(ccc1c2cc(cc(c2)F)F)C(=O)O; OC(=O)c1
    ccc(cc1)c2cc(F)cc(F)c2; Fc2cc(c1ccc(C(=O
    )O)cc1)cc(F)c2    		 3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID
    20545
    FBD
    CHEMBL1232667
    DB07754
    ZINC000039111997    		 1 C16 H19 F N2 O7 S InChI=1S/C16H19FN2O7S/c17
    -10-3-1-9(2-4-10)7-27-8-1
    2(15(24)25)19-16(26)18-11
    (14(22)23)5-6-13(20)21/h1
    -4,11-12H,5-8H2,(H,20,21)
    (H,22,23)(H,24,25)(H2,18,
    19,26)/t11-,12-/m0/s1;
    IDTMSHGCAZPVLC-RYUDHWBXSA-N    		 c1cc(ccc1CSC[C@@H](C(=O)O)NC(=O)N[C@@H](
    CCC(=O)O)C(=O)O)F; c1cc(ccc1CSCC(C(=O)O)
    NC(=O)NC(CCC(=O)O)C(=O)O)F; OC(=O)CC[CH]
    (NC(=O)N[CH](CSCc1ccc(F)cc1)C(O)=O)C(O)=
    O; Fc1ccc(cc1)CSCC(C(=O)O)NC(=O)NC(C(=O)
    O)CCC(=O)O; OC(=O)CC[C@H](NC(=O)N[C@@H](
    CSCc1ccc(F)cc1)C(O)=O)C(O)=O    		 N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-L-glutamic acid;
    (S)-2-(3-((R)-1-carboxy-2-(4-fluorobenzylthio)ethyl)ureido)pentanedioic acid
    20546
    FBE    		 0 C5 H9 N O2 InChI=1S/C5H9NO2/c6-4-2-1
    -3-5(7)8/h1-2H,3-4,6H2,(H
    ,7,8)/b2-1+;
    IACMVGAGEKETDA-OWOJBTEDSA-N    		 NC/C=C/CC(O)=O; O=C(O)C/C=C/CN; C(C=CCN)
    C(=O)O; NCC=CCC(O)=O; C(/C=C/CN)C(=O)O    		 (3E)-5-aminopent-3-enoic acid
    20547
    FBF
    CHEMBL1921972
    ZINC000000118910    		 3 C8 H7 F3 N2 InChI=1S/C8H7F3N2/c9-8(10
    ,11)6-3-1-5(2-4-6)7(12)13
    /h1-4H,(H3,12,13);
    XFLGYXVBXUAGQV-UHFFFAOYSA-N    		 NC(=N)c1ccc(cc1)C(F)(F)F; [H]/N=C(/c1ccc
    (cc1)C(F)(F)F)\N; FC(F)(F)c1ccc(C(=[N@H]
    )N)cc1; c1cc(ccc1C(=N)N)C(F)(F)F    		 4-(trifluoromethyl)benzenecarboximidamide
    20548
    FBG
    ZINC000004271828    		 2 C9 H7 F O4 InChI=1S/C9H7FO4/c10-6-1-
    5-3-13-4-14-8(5)7(2-6)9(1
    1)12/h1-2H,3-4H2,(H,11,12
    );
    HWBALMSPYAUMMB-UHFFFAOYSA-N    		 OC(=O)c1cc(F)cc2COCOc12; O=C(O)c2cc(F)cc
    1c2OCOC1; c1c(cc(c2c1COCO2)C(=O)O)F    		 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid
    20549
    FBI
    ZINC000033821292    		 8 C22 H30 F N3 O6 S InChI=1S/C22H30FN3O6S/c1-
    13(2)20-18(10-9-16(27)11-
    17(28)12-19(29)30)21(14-5
    -7-15(23)8-6-14)25-22(24-
    20)26(3)33(4,31)32/h5-8,1
    3,16-17,27-28H,9-12H2,1-4
    H3,(H,29,30)/t16-,17-/m1/
    s1;
    ZVPAUNJUMAQCNK-IAGOWNOFSA-N    		 CC(C)c1nc(nc(c2ccc(F)cc2)c1CC[C@@H](O)C[
    C@@H](O)CC(O)=O)N(C)[S](C)(=O)=O; O=S(=O
    )(N(c1nc(c(c(n1)C(C)C)CCC(O)CC(O)CC(=O)O
    )c2ccc(F)cc2)C)C; CC(C)c1c(c(nc(n1)N(C)S
    (=O)(=O)C)c2ccc(cc2)F)CC[C@H](C[C@H](CC(
    =O)O)O)O; CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)
    C)c2ccc(cc2)F)CCC(CC(CC(=O)O)O)O; CC(C)c
    1nc(nc(c2ccc(F)cc2)c1CC[CH](O)C[CH](O)CC
    (O)=O)N(C)[S](C)(=O)=O    		 7-[4-(4-FLUORO-PHENYL)-6-ISOPROPYL-2-(METHANESULFONYL-METHYL-AMINO)-PYRIMIDIN-5-YL] -3,5-DIHYDROXY-HEPTANOIC ACID;
    ROSUVASTATIN
    20550
    FBJ
    CHEMBL2333346
    ZINC000095589020    		 2 C6 H9 N O2 InChI=1S/C6H9NO2/c8-6(7-9
    )5-3-1-2-4-5/h3,9H,1-2,4H
    2,(H,7,8);
    RYYGSXXWQSXKRP-UHFFFAOYSA-N    		 C(=O)(C1=CCCC1)NO; C1CC=C(C1)C(=O)NO; ON
    C(=O)C1=CCCC1    		 N-hydroxycyclopent-1-ene-1-carboxamide;
    cyclopentenylhydroxamate
    20551
    FBK    		 1 C18 H13 N O3 InChI=1S/C18H13NO3/c20-15
    -7-2-5-13(11-15)17-9-3-8-
    16(19-17)12-4-1-6-14(10-1
    2)18(21)22/h1-11,20H,(H,2
    1,22);
    RGVPEEGFSSWQPL-UHFFFAOYSA-N    		 Oc1cccc(c1)c2cccc(n2)c3cccc(c3)C(O)=O; c
    1cc(cc(c1)C(=O)O)c2cccc(n2)c3cccc(c3)O    		 3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid
    20552
    FBL
    DB07755
    ZINC000003581441    		 1 C21 H23 Cl2 N5 O2 InChI=1S/C21H23Cl2N5O2/c1
    -28(2)12-16(29)13-30-17-6
    -4-15(5-7-17)25-21-24-10-
    9-20(27-21)26-19-11-14(22
    )3-8-18(19)23/h3-11,16,29
    H,12-13H2,1-2H3,(H2,24,25
    ,26,27)/t16-/m0/s1;
    GNLAGGCSJGJECE-INIZCTEOSA-N    		 CN(C)CC(COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc
    3Cl)Cl)O; CN(C)C[C@H](O)COc1ccc(Nc2nccc(
    Nc3cc(Cl)ccc3Cl)n2)cc1; Clc1cc(c(Cl)cc1)
    Nc2nc(ncc2)Nc3ccc(OCC(O)CN(C)C)cc3; CN(C
    )C[C@@H](COc1ccc(cc1)Nc2nccc(n2)Nc3cc(cc
    c3Cl)Cl)O; CN(C)C[CH](O)COc1ccc(Nc2nccc(
    Nc3cc(Cl)ccc3Cl)n2)cc1    		 (2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL
    20553
    FBM
    CHEMBL2333344    		 2 C7 H11 N O2 InChI=1S/C7H11NO2/c9-7(8-
    10)6-4-2-1-3-5-6/h4,10H,1
    -3,5H2,(H,8,9);
    NMUKJRPCVOESRU-UHFFFAOYSA-N    		 C1CCC(=CC1)C(=O)NO; C1C(C(=O)NO)=CCCC1;
    ONC(=O)C1=CCCCC1    		 N-hydroxycyclohex-1-ene-1-carboxamide;
    cyclohexenylhydroxamate
    20554
    FBN
    ZINC000058660716    		 1 C20 H20 N10 O8 InChI=1S/C20H20N10O8/c21-
    17-13-18(24-6-23-17)29(7-
    25-13)20-16(34)15(33)12(3
    8-20)5-28-4-8(26-27-28)3-
    22-19(35)10-1-9(30(36)37)
    2-11(31)14(10)32/h1-2,4,6
    -7,12,15-16,20,31-34H,3,5
    H2,(H,22,35)(H2,21,23,24)
    /t12-,15-,16-,20-/m1/s1;
    KWTYQIOJSHGBKG-VXHCAWKWSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH](Cn4cc(CNC(=O)
    c5cc(cc(O)c5O)[N+]([O-])=O)nn4)[CH](O)[C
    H]3O; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](Cn4c
    c(CNC(=O)c5cc(cc(O)c5O)[N+]([O-])=O)nn4)
    [C@@H](O)[C@H]3O; [O-][N+](=O)c1cc(c(O)c
    (O)c1)C(=O)NCc2nnn(c2)CC5OC(n4cnc3c(ncnc
    34)N)C(O)C5O; c1c(cc(c(c1C(=O)NCc2cn(nn2
    )C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4n
    cnc5N)O)O)O)O)[N+](=O)[O-]; c1c(cc(c(c1C
    (=O)NCc2cn(nn2)CC3C(C(C(O3)n4cnc5c4ncnc5
    N)O)O)O)O)[N+](=O)[O-]    		 5'-deoxy-5'-[4-({[(2,3-dihydroxy-5-nitrophenyl)carbonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]adenosine;
    N-[(1-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]-2,3-dihy droxy-5-nitrobenzamide
    20555
    FBO
    ZINC000071318285    		 1 C23 H30 N4 O5 InChI=1S/C23H30N4O5/c24-1
    9(15-17-9-3-1-4-10-17)21(
    28)26-20(22(29)27-31)13-7
    -8-14-25-23(30)32-16-18-1
    1-5-2-6-12-18/h1-6,9-12,1
    9-20,31H,7-8,13-16,24H2,(
    H,25,30)(H,26,28)(H,27,29
    )/t19-,20-/m0/s1;
    YGHNIVJEKSKDJB-PMACEKPBSA-N    		 N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O
    )OCc2ccccc2)C(=O)NO; O=C(NO)C(NC(=O)C(N)
    Cc1ccccc1)CCCCNC(=O)OCc2ccccc2; c1ccc(cc
    1)C[C@@H](C(=O)N[C@@H](CCCCNC(=O)OCc2ccc
    cc2)C(=O)NO)N; N[CH](Cc1ccccc1)C(=O)N[CH
    ](CCCCNC(=O)OCc2ccccc2)C(=O)NO; c1ccc(cc
    1)CC(C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)N
    O)N    		 L-phenylalanyl-N6-[(benzyloxy)carbonyl]-N1-hydroxy-L-lysinamide
    20556
    FBP
    CHEMBL97893
    DB04551
    ZINC000004096694    		 690 C6 H14 O12 P2 InChI=1S/C6H14O12P2/c7-4-
    3(1-16-19(10,11)12)18-6(9
    ,5(4)8)2-17-20(13,14)15/h
    3-5,7-9H,1-2H2,(H2,10,11,
    12)(H2,13,14,15)/t3-,4-,5
    +,6-/m1/s1;
    RNBGYGVWRKECFJ-ARQDHWQXSA-N    		 O[C@H]1[C@H](O)[C@@](O)(CO[P](O)(O)=O)O[
    C@@H]1CO[P](O)(O)=O; O[CH]1[CH](O)[C](O)
    (CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O; O=P(
    O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O; C(C1
    C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O;
    C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O
    )O)O)O)O)OP(=O)(O)O    		 1,6-di-O-phosphono-beta-D-fructofuranose;
    BETA-FRUCTOSE-1,6-DIPHOSPHATE;
    FRUCTOSE-1,6-BISPHOSPHATE;
    1,6-di-O-phosphono-beta-D-fructose;
    1,6-di-O-phosphono-D-fructose;
    1,6-di-O-phosphono-fructose
    20557
    FBQ
    DB07756
    ZINC000003581327    		 1 C20 H18 F4 N2 O2 S InChI=1S/C20H18F4N2O2S/c1
    -11-14(18(25)17-15(21)6-3
    -7-16(17)26-11)10-29-9-12
    -4-2-5-13(8-12)19(27,28)2
    0(22,23)24/h2-8,27-28H,9-
    10H2,1H3,(H2,25,26);
    GPBGHVRNVGXPNM-UHFFFAOYSA-N    		 Cc1c(c(c2c(n1)cccc2F)N)CSCc3cccc(c3)C(C(
    F)(F)F)(O)O; FC(F)(F)C(O)(O)c1cccc(c1)CS
    Cc2c(c3c(F)cccc3nc2C)N; Cc1nc2cccc(F)c2c
    (N)c1CSCc3cccc(c3)C(O)(O)C(F)(F)F    		 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL;
    4-AMINO-5-FLUORO-2-METHYL-3-(3-TRIFLUOROACETYLBENZYLTHIOMETHYL)QUINOLINE
    20558
    FBR
    CHEMBL211614
    DB07757
    ZINC000016052063    		 1 C17 H19 Br O2 InChI=1S/C17H19BrO2/c1-2-
    3-7-17-8-6-14(20)16(18)15
    (17)13-5-4-12(19)9-11(13)
    10-17/h4-5,9,19H,2-3,6-8,
    10H2,1H3/t17-/m0/s1;
    FTEBGBCQCYMDPH-KRWDZBQOSA-N    		 CCCCC12CCC(=O)C(=C1c3ccc(cc3C2)O)Br; CCC
    C[C@@]12CCC(=O)C(=C1c3ccc(cc3C2)O)Br; CC
    CC[C@@]12CCC(=O)C(=C1c3ccc(O)cc3C2)Br; C
    CCC[C]12CCC(=O)C(=C1c3ccc(O)cc3C2)Br; O=
    C3C(Br)=C2c1c(cc(O)cc1)CC2(CCCC)CC3    		 (9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
    20559
    FBS
    CHEMBL1232673
    DB01784
    ZINC000002571408    		 2 C6 H6 F N O2 S InChI=1S/C6H6FNO2S/c7-5-1
    -3-6(4-2-5)11(8,9)10/h1-4
    H,(H2,8,9,10);
    LFLSATHZMYYIAQ-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(F)cc1; c1cc(ccc1F)S(=O
    )(=O)N; c1(ccc(cc1)S(=O)(=O)N)F    		 4-FLUOROBENZENESULFONAMIDE
    20560
    FBT
    DB03270
    ZINC000000404039    		 3 C6 H5 F2 N O2 S InChI=1S/C6H5F2NO2S/c7-4-
    2-1-3-5(8)6(4)12(9,10)11/
    h1-3H,(H2,9,10,11);
    RVVVGGCOFWWDEL-UHFFFAOYSA-N    		 c1cc(c(c(c1)F)S(=O)(=O)N)F; O=S(=O)(c1c(
    F)cccc1F)N; N[S](=O)(=O)c1c(F)cccc1F    		 2,6-DIFLUOROBENZENESULFONAMIDE
    20561
    FBU
    DB02087
    ZINC000002576766    		 2 C6 H5 F2 N O2 S InChI=1S/C6H5F2NO2S/c7-4-
    1-5(8)3-6(2-4)12(9,10)11/
    h1-3H,(H2,9,10,11);
    MKQPOVUFDWKPNO-UHFFFAOYSA-N    		 N[S](=O)(=O)c1cc(F)cc(F)c1; Fc1cc(cc(F)c
    1)S(=O)(=O)N; c1c(cc(cc1F)S(=O)(=O)N)F    		 3,5-DIFLUOROBENZENESULFONAMIDE
    20562
    FBV
    ZINC000000155614    		 3 C6 H6 F N O2 S InChI=1S/C6H6FNO2S/c7-5-3
    -1-2-4-6(5)11(8,9)10/h1-4
    H,(H2,8,9,10);
    WFLBWYLZCQOPCA-UHFFFAOYSA-N    		 O=S(=O)(c1ccccc1F)N; c1ccc(c(c1)F)S(=O)(
    =O)N; N[S](=O)(=O)c1ccccc1F    		 2-fluorobenzenesulfonamide
    20563
    FBW
    ZINC000000404040    		 2 C6 H6 F N O2 S InChI=1S/C6H6FNO2S/c7-5-2
    -1-3-6(4-5)11(8,9)10/h1-4
    H,(H2,8,9,10);
    CRINBBOGNYCAOV-UHFFFAOYSA-N    		 N[S](=O)(=O)c1cccc(F)c1; c1cc(cc(c1)S(=O
    )(=O)N)F; O=S(=O)(c1cc(F)ccc1)N    		 3-fluorobenzenesulfonamide
    20564
    FBX
    CHEMBL41355
    DB04953
    ZINC000000016154    		 17 C16 H18 F N3 O2 InChI=1S/C16H18FN3O2/c1-2
    -22-16(21)20-15-8-7-13(9-
    14(15)18)19-10-11-3-5-12(
    17)6-4-11/h3-9,19H,2,10,1
    8H2,1H3,(H,20,21);
    PCOBBVZJEWWZFR-UHFFFAOYSA-N    		 CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F; CCOC(
    =O)Nc1ccc(NCc2ccc(F)cc2)cc1N    		 ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate;
    Retigabine, Ezogabine
    20565
    FBY    		 2 C18 H21 F2 N5 O2 InChI=1S/C18H21F2N5O2/c1-
    4-5-6-25-14-9-21-18(23-16
    (14)24(3)10(2)17(25)27)22
    -11-7-12(19)15(26)13(20)8
    -11/h7-10,26H,4-6H2,1-3H3
    ,(H,21,22,23)/t10-/m1/s1;
    IQHUYDHFNRXPGH-SNVBAGLBSA-N    		 CCCCN1c2cnc(nc2N(C(C1=O)C)C)Nc3cc(c(c(c3
    )F)O)F; CCCCN1C(=O)[CH](C)N(C)c2nc(Nc3cc
    (F)c(O)c(F)c3)ncc12; c3(F)cc(Nc1nc2c(cn1
    )N(C(=O)C(C)N2C)CCCC)cc(c3O)F; CCCCN1c2c
    nc(nc2N([C@@H](C1=O)C)C)Nc3cc(c(c(c3)F)O
    )F; CCCCN1C(=O)[C@@H](C)N(C)c2nc(Nc3cc(F
    )c(O)c(F)c3)ncc12    		 (7R)-5-butyl-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-7,8-dihydropteridin-6(5H)-one
    20566
    FBZ
    ZINC000000388112    		 1 C10 H12 O2 InChI=1S/C10H12O2/c1-8(7-
    10(11)12)9-5-3-2-4-6-9/h2
    -6,8H,7H2,1H3,(H,11,12)/t
    8-/m0/s1;
    ZZEWMYILWXCRHZ-QMMMGPOBSA-N    		 CC(CC(=O)O)c1ccccc1; C[C@@H](CC(=O)O)c1c
    cccc1; C[CH](CC(O)=O)c1ccccc1; C[C@@H](C
    C(O)=O)c1ccccc1; O=C(O)CC(c1ccccc1)C    		 (3S)-3-phenylbutanoic acid
    20567
    FC0
    ZINC000034175426    		 0 C10 H11 N O4 InChI=1S/C10H11NO4/c12-9(
    13)8(11-10(14)15)6-7-4-2-
    1-3-5-7/h1-5,8,11H,6H2,(H
    ,12,13)(H,14,15)/t8-/m0/s
    1;
    XXGPNEDZNRZWPK-QMMMGPOBSA-N    		 c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)O; c1ccc(
    cc1)CC(C(=O)O)NC(=O)O; OC(=O)N[CH](Cc1cc
    ccc1)C(O)=O; O=C(O)C(NC(=O)O)Cc1ccccc1;
    OC(=O)N[C@@H](Cc1ccccc1)C(O)=O    		 N-CARBOXY-L-PHENYLALANINE
    20568
    FC1
    DB02462
    ZINC000012502122    		 1 C14 H17 N O2 S InChI=1S/C14H17NO2S/c1-15
    (2)8-5-9-17-12-10-14(16)1
    8-13-7-4-3-6-11(12)13/h3-
    4,6-7,10H,5,8-9H2,1-2H3;
    DIOZFKOOIBATNZ-UHFFFAOYSA-N    		 CN(C)CCCOC1=CC(=O)Sc2ccccc12; CN(C)CCCOC
    1=CC(=O)Sc2c1cccc2; O=C2Sc1ccccc1C(OCCCN
    (C)C)=C2    		 THIOCOUMARIN
    20569
    FC2
    CHEMBL370437
    DB07758
    ZINC000000156746    		 1 C11 H6 Cl2 O3 InChI=1S/C11H6Cl2O3/c12-6
    -1-2-8(13)7(5-6)9-3-4-10(
    16-9)11(14)15/h1-5H,(H,14
    ,15);
    ATAZLMGGQQLRBC-UHFFFAOYSA-N    		 c1cc(c(cc1Cl)c2ccc(o2)C(=O)O)Cl; OC(=O)c
    1oc(cc1)c2cc(Cl)ccc2Cl; O=C(O)c2oc(c1c(C
    l)ccc(Cl)c1)cc2    		 5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID
    20570
    FC3
    CHEMBL200377
    DB07759
    ZINC000000349812    		 1 C12 H7 F3 O3 InChI=1S/C12H7F3O3/c13-12
    (14,15)8-4-2-1-3-7(8)9-5-
    6-10(18-9)11(16)17/h1-6H,
    (H,16,17);
    IJPNRBZMRINMMR-UHFFFAOYSA-N    		 c1ccc(c(c1)c2ccc(o2)C(=O)O)C(F)(F)F; O=C
    (O)c2oc(c1c(cccc1)C(F)(F)F)cc2; OC(=O)c1
    oc(cc1)c2ccccc2C(F)(F)F    		 5-[2-(TRIFLUOROMETHYL)PHENYL]-2-FUROIC ACID
    20571
    FC4
    ZINC000096269988    		 1 C20 H16 Cl N5 O4 S2 InChI=1S/C20H16ClN5O4S2/c
    1-11(18(27)24-14-6-8-15(9
    -7-14)32(23,29)30)31-20-2
    5-17(16(10-22)19(28)26-20
    )12-2-4-13(21)5-3-12/h2-9
    ,11H,1H3,(H,24,27)(H2,23,
    29,30)(H,25,26,28)/t11-/m
    1/s1;
    JDIGFAGHWNBGPU-LLVKDONJSA-N    		 C[CH](SC1=NC(=C(C#N)C(=O)N1)c2ccc(Cl)cc2
    )C(=O)Nc3ccc(cc3)[S](N)(=O)=O; c1cc(Cl)c
    cc1C2=C(C(=O)NC(=N2)SC(C)C(=O)Nc3ccc(cc3
    )S(=O)(=O)N)C#N; C[C@@H](SC1=NC(=C(C#N)C
    (=O)N1)c2ccc(Cl)cc2)C(=O)Nc3ccc(cc3)[S](
    N)(=O)=O; C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=
    O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(cc3)Cl;
    CC(C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(
    C(=O)N2)C#N)c3ccc(cc3)Cl    		 (2R)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide
    20572
    FC5
    CHEMBL1957177    		 1 C9 H6 O2 S InChI=1S/C9H6O2S/c10-7-2-
    3-8-6(5-7)1-4-9(12)11-8/h
    1-5,10H;
    FGHZVFOCIYABBE-UHFFFAOYSA-N    		 c1cc2c(cc1O)C=CC(=S)O2; Oc1ccc2OC(=S)C=C
    c2c1; S=C2Oc1ccc(O)cc1C=C2    		 6-hydroxy-2H-chromene-2-thione
    20573
    FC6    		 80 C6 Fe N6 InChI=1S/6CN.Fe/c6*1-2;;
    HCMVSLMENOCDCK-UHFFFAOYSA-N    		 C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N; N#C[Fe
    ](C#N)(C#N)(C#N)(C#N)C#N    		 HEXACYANOFERRATE(3-);
    FERRI(III)HEXACYANIDE
    20574
    FC7
    CHEMBL3814342    		 3 C32 H50 O9 InChI=1S/C32H50O9/c1-15(2
    )22-19-10-11-37-29(19)32(
    6)12-20-17(13-36-7)8-9-18
    (20)16(3)24(33)28(23(22)3
    2)40-30-26(35)25(34)27-21
    (39-30)14-38-31(4,5)41-27
    /h12,15-19,21,24-30,33-35
    H,8-11,13-14H2,1-7H3/b20-
    12-/t16-,17-,18+,19+,21-,
    24-,25-,26-,27-,28-,29+,3
    0-,32-/m1/s1;
    VVWLHUXTBJWIOB-YGTMNZBKSA-N    		 CC1C2CCC(C2=CC3(C4C(CCO4)C(=C3C(C1O)OC5C
    (C(C6C(O5)COC(O6)(C)C)O)O)C(C)C)C)COC; O
    5C(OC4C2=C(C(C)C)C1CCOC1C2(C=C3C(COC)CCC
    3C(C)C4O)C)C(O)C(O)C6OC(OCC56)(C)C; COC[
    CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH
    ]4COC(C)(C)O[CH]4[CH](O)[CH]3O)C5=C(C(C)
    C)[CH]6CCO[CH]6[C]5(C)C=C12; C[C@@H]1[C@
    @H]2CC[C@@H](C2=C[C@]3([C@@H]4[C@@H](CCO
    4)C(=C3[C@H]([C@@H]1O)O[C@@H]5[C@@H]([C@
    H]([C@H]6[C@H](O5)COC(O6)(C)C)O)O)C(C)C)
    C)COC; COC[C@H]1CC[C@H]\2[C@@H](C)[C@@H]
    (O)[C@H](O[C@H]3O[C@@H]4COC(C)(C)O[C@H]4
    [C@H](O)[C@H]3O)C5=C(C(C)C)[C@@H]6CCO[C@
    @H]6[C@]5(C)\C=C1\2    		 Fusicoccin A-THF;
    (1S,3aS,4R,5R,6R,7aS,10aS,10bR)-5-hydroxy-1-(methoxymethyl)-4,10b-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,7a,8,9,10a,10b-dodecahydrocyclopenta[4',5']cycloocta[1',2':4,5]cyclopenta[1,2-b]furan-6-yl 4,6-O-(1-methylethylidene)-alpha-D-glucopyranoside
    20575
    FC8
    CHEMBL367625
    ZINC000002583998    		 2 C19 H24 Cl N7 InChI=1S/C19H24ClN7/c1-2-
    27-11-22-16-17(23-13-7-5-
    6-12(20)10-13)25-19(26-18
    (16)27)24-15-9-4-3-8-14(1
    5)21/h5-7,10-11,14-15H,2-
    4,8-9,21H2,1H3,(H2,23,24,
    25,26)/t14-,15+/m0/s1;
    UTBSBSOBZHXMHI-LSDHHAIUSA-N    		 CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)NC4CCCCC4N
    ; CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4
    CCCC[C@@H]4N; CCn1cnc2c(Nc3cccc(Cl)c3)nc
    (N[CH]4CCCC[CH]4N)nc12; CCn1cnc2c(Nc3ccc
    c(Cl)c3)nc(N[C@@H]4CCCC[C@@H]4N)nc12    		 ~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine
    20576
    FC9
    CHEMBL3741975
    ZINC000263621284    		 1 C30 H22 N6 O7 S2 InChI=1S/C30H22N6O7S2/c31
    -45(41,42)21-6-2-18(3-7-2
    1)36-15-17(34-35-36)14-32
    -30(44)33-16-1-8-22(25(11
    -16)29(39)40)28-23-9-4-19
    (37)12-26(23)43-27-13-20(
    38)5-10-24(27)28/h1-13,15
    ,37H,14H2,(H,39,40)(H2,31
    ,41,42)(H2,32,33,44);
    YKWZALQMWYUDGJ-UHFFFAOYSA-N    		 O=S(=O)(N)c1ccc(cc1)n2nnc(c2)CNC(=S)Nc6c
    cc(C=3c5c(OC=4C=3C=CC(=O)C=4)cc(O)cc5)c(
    C(=O)O)c6; N[S](=O)(=O)c1ccc(cc1)n2cc(CN
    C(=S)Nc3ccc(c(c3)C(O)=O)C4=C5C=CC(=O)C=C
    5Oc6cc(O)ccc46)nn2; c1cc(ccc1n2cc(nn2)CN
    C(=S)Nc3ccc(c(c3)C(=O)O)C4=C5C=CC(=O)C=C
    5Oc6c4ccc(c6)O)S(=O)(=O)N    		 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid
    20577
    FCA
    CHEMBL609880
    DB03485
    ZINC000001532815    		 5 C6 H12 O5 InChI=1S/C6H12O5/c1-2-3(7
    )4(8)5(9)6(10)11-2/h2-10H
    ,1H3/t2-,3+,4+,5-,6+/m1/s
    1;
    SHZGCJCMOBCMKK-PHYPRBDBSA-N    		 C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O
    )O)O; OC1C(O)C(OC(O)C1O)C; C[C@H]1O[C@H]
    (O)[C@H](O)[C@@H](O)[C@H]1O; CC1C(C(C(C(
    O1)O)O)O)O; C[CH]1O[CH](O)[CH](O)[CH](O)
    [CH]1O    		 alpha-D-fucopyranose;
    alpha-D-fucose;
    6-deoxy-alpha-D-galactopyranose;
    D-fucose;
    fucose
    20578
    FCB
    DB04062
    ZINC000001532816    		 7 C6 H12 O5 InChI=1S/C6H12O5/c1-2-3(7
    )4(8)5(9)6(10)11-2/h2-10H
    ,1H3/t2-,3+,4+,5-,6-/m1/s
    1;
    SHZGCJCMOBCMKK-FPRJBGLDSA-N    		 OC1C(O)C(OC(O)C1O)C; C[C@@H]1[C@@H]([C@@
    H]([C@H]([C@@H](O1)O)O)O)O; C[C@H]1O[C@@
    H](O)[C@H](O)[C@@H](O)[C@H]1O; CC1C(C(C(
    C(O1)O)O)O)O; C[CH]1O[CH](O)[CH](O)[CH](
    O)[CH]1O    		 beta-D-fucopyranose;
    beta-D-fucose;
    6-deoxy-beta-D-galactopyranose;
    D-fucose;
    fucose
    20579
    FCC
    CHEMBL319111
    DB13806
    ZINC000000537908    		 0 C26 H21 N3 O InChI=1S/C26H21N3O/c30-25
    -26(18-20-10-14-27-15-11-
    20,19-21-12-16-28-17-13-2
    1)23-8-4-5-9-24(23)29(25)
    22-6-2-1-3-7-22/h1-17H,18
    -19H2;
    YEJCDKJIEMIWRQ-UHFFFAOYSA-N    		 O=C1N(c2ccccc2)c3ccccc3C1(Cc4ccncc4)Cc5c
    cncc5; c1ccc(cc1)N2c3ccccc3C(C2=O)(Cc4cc
    ncc4)Cc5ccncc5    		 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one;
    Linopirdine
    20580
    FCD
    CHEMBL200238
    DB02909
    ZINC000000280585    		 3 C11 H7 Cl O3 InChI=1S/C11H7ClO3/c12-8-
    4-2-1-3-7(8)9-5-6-10(15-9
    )11(13)14/h1-6H,(H,13,14);
    PJGGWIHXGHQXMM-UHFFFAOYSA-N    		 O=C(O)c2oc(c1c(Cl)cccc1)cc2; OC(=O)c1oc(
    cc1)c2ccccc2Cl; c1ccc(c(c1)c2ccc(o2)C(=O
    )O)Cl    		 5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID
    20581
    FCE    		 3 C27 H42 Fe N9 O12 InChI=1S/C27H42N9O12.Fe/c
    1-16(37)34(46)10-4-7-19-2
    5(43)30-14-23(41)28-13-22
    (40)29-15-24(42)31-20(8-5
    -11-35(47)17(2)38)26(44)3
    3-21(27(45)32-19)9-6-12-3
    6(48)18(3)39;/h19-21H,4-1
    5H2,1-3H3,(H,28,41)(H,29,
    40)(H,30,43)(H,31,42)(H,3
    2,45)(H,33,44);/q-3;+3/t1
    9-,20-,21-;/m0./s1;
    GGUNGDGGXMHBMJ-OCIDDWSYSA-N    		 CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NC(C
    CCN(O3)C(=O4)C)C(=O)NCC(=O)NCC(=O)NCC(=O
    )N[C@@H](CCCN1O5)C(=O)N6)C; CC1=O|[Fe]2|
    345|O=C(C)[N@@](CCC[C@@H]6NC(=O)[C@H](CC
    C[N@@](O2)C(=O|3)C)NC(=O)[C@H](CCC[N@@]1
    O4)NC(=O)CNC(=O)CNC(=O)CNC6=O)O5; CC1=O|
    [Fe]2|345|O=C(C)[N](CCC[CH]6NC(=O)[CH](C
    CC[N](O2)C(=O|3)C)NC(=O)[CH](CCC[N]1O4)N
    C(=O)CNC(=O)CNC(=O)CNC6=O)O5; CC1=O[Fe]2
    345O=C(N(O2)CCCC6C(=O)NCC(=O)NCC(=O)NCC(
    =O)NC(CCCN1O3)C(=O)NC(CCCN(O4)C(=O5)C)C(
    =O)N6)C; O=C1NCC(=O)NCC(=O)NCC(=O)NC5C(=
    O)NC3C(=O)NC1CCCN6O[Fe]24(O=C(N(O2)CCC3)
    C)(O=C(N(O4)CCC5)C)O=C6C    		 FERRICHROME
    20582
    FCF
    CHEMBL1213371
    DB07760
    ZINC000058568694    		 1 C15 H14 N4 O6 InChI=1S/C15H14N4O6/c20-1
    3-7-12(18-15(23)19-13)9-1
    7-25-5-4-24-16-8-10-2-1-3
    -11(6-10)14(21)22/h1-3,6-
    9H,4-5H2,(H,21,22)(H2,18,
    19,20,23)/b16-8+,17-9+;
    TUYDQQMKXSQIQG-GONBZBRSSA-N    		 OC(=O)c1cccc(C=NOCCON=CC2=CC(=O)NC(=O)N2
    )c1; O=C2NC(\C=N\OCCO\N=C\c1cccc(C(=O)O)
    c1)=CC(=O)N2; c1cc(cc(c1)C(=O)O)\C=N\OCC
    O/N=C/C2=CC(=O)NC(=O)N2; OC(=O)c1cccc(/C
    =N/OCCO\N=C\C2=CC(=O)NC(=O)N2)c1; c1cc(c
    c(c1)C(=O)O)C=NOCCON=CC2=CC(=O)NC(=O)N2    		 3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid
    20583
    FCG
    ZINC000263620609    		 2 C30 H43 N9 O16 P2 InChI=1S/C30H43N9O16P2/c1
    -12-5-14-15(6-13(12)2)39-
    19(42)3-4-30(39)27(35-29(
    47)36-28(30)46)37(14)7-16
    (40)21(43)17(41)8-52-56(4
    8,49)55-57(50,51)53-9-18-
    22(44)23(45)26(54-18)38-1
    1-34-20-24(31)32-10-33-25
    (20)38/h5-6,10-11,16-19,2
    1-23,26-28,40-46H,3-4,7-9
    H2,1-2H3,(H,48,49)(H,50,5
    1)(H2,31,32,33)(H2,35,36,
    47)/t16-,17+,18+,19+,21-,
    22+,23+,26+,27-,28+,30-/m
    0/s1;
    JIPQJEPHOHUOJG-VWUOBWNNSA-N    		 Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=
    O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)
    n4cnc5c(N)ncnc45)[CH]6NC(=O)N[CH](O)[C]6
    7CC[CH](O)N7c2cc1C; O=C2NC(O)C73N(c1cc(c
    (cc1N(C3N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)
    (O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C)C
    (O)CC7; Cc1cc2c(cc1C)[N@]3[C@@H](CC[C@@]
    34C(N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O
    )O[P@](=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H]
    (O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4O)
    O; Cc1cc2c(cc1C)N3C(CCC34C(N2CC(C(C(COP(
    =O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc
    7N)O)O)O)O)O)NC(=O)NC4O)O; Cc1cc2N(C[C@H
    ](O)[C@H](O)[C@H](O)CO[P@@](O)(=O)O[P@@]
    (O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n
    4cnc5c(N)ncnc45)[C@@H]6NC(=O)N[C@H](O)[C
    @]67CC[C@@H](O)N7c2cc1C    		 (N5,C4A)-(ALPHA-HYDROXY-PROPANO)-3,4,4A,5-TETRAHYDRO-FLAVIN-ADENINE DINUCLEOTIDE
    20584
    FCH
    ZINC000098208872    		 0 C17 H28 N2 O InChI=1S/C17H28N2O/c18-16
    (11-14-7-3-1-4-8-14)17(20
    )13-19-12-15-9-5-2-6-10-1
    5/h1,3-4,7-8,15-17,19-20H
    ,2,5-6,9-13,18H2/t16-,17+
    /m0/s1;
    ZXSVBSSNAIRCGF-DLBZAZTESA-N    		 c1ccc(cc1)C[C@@H]([C@@H](CNCC2CCCCC2)O)N
    ; N[CH](Cc1ccccc1)[CH](O)CNCC2CCCCC2; OC
    (CNCC1CCCCC1)C(N)Cc2ccccc2; N[C@@H](Cc1c
    cccc1)[C@H](O)CNCC2CCCCC2; c1ccc(cc1)CC(
    C(CNCC2CCCCC2)O)N    		 (2R,3S)-3-amino-1-[(cyclohexylmethyl)amino]-4-phenylbutan-2-ol
    20585
    FCI    		 4 C28 H44 Fe N9 O13 InChI=1S/C28H44N9O13.Fe/c
    1-16(39)35(48)10-4-7-19-2
    5(44)29-14-24(43)32-22(15
    -38)26(45)30-13-23(42)31-
    20(8-5-11-36(49)17(2)40)2
    7(46)34-21(28(47)33-19)9-
    6-12-37(50)18(3)41;/h19-2
    2,38H,4-15H2,1-3H3,(H,29,
    44)(H,30,45)(H,31,42)(H,3
    2,43)(H,33,47)(H,34,46);/
    q-3;+3/t19-,20-,21-,22+;/
    m0./s1;
    FNBCUYMSQPYITB-AFXYHRJJSA-N    		 CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(
    =O)N[C@@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C
    (=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)CO)C
    ; CC(=O)[N]1CCC[CH]2NC(=O)CNC(=O)[CH](CO
    )NC(=O)CNC(=O)[CH]3CCC[N](O[Fe](O1)O[N](
    CCC[CH](NC2=O)C(=O)N3)C(=O)C)C(=O)C; CC(
    =O)[N@]1CCC[C@@H]2NC(=O)CNC(=O)[C@@H](CO
    )NC(=O)CNC(=O)[C@@H]3CCC[N@](O[Fe](O1)O[
    N@@](CCC[C@H](NC2=O)C(=O)N3)C(=O)C)C(=O)
    C; CC1=O[Fe]2345O=C(N(O2)CCCC6C(=O)NCC(=
    O)NC(C(=O)NCC(=O)NC(CCCN1O3)C(=O)NC(CCCN
    (O4)C(=O5)C)C(=O)N6)CO)C    		 FERRICROCIN-IRON
    20586
    FCJ    		 1 C11 H18 N5 O11 P3 InChI=1S/C11H18N5O11P3/c1
    2-10-9-11(14-3-13-10)16(4
    -15-9)8-1-6(17)7(26-8)2-2
    5-30(23,24)27-29(21,22)5-
    28(18,19)20/h3-4,6-8,17H,
    1-2,5H2,(H,21,22)(H,23,24
    )(H2,12,13,14)(H2,18,19,2
    0)/t6-,7+,8+/m0/s1;
    GSNPMYZTZSIIIC-XLPZGREQSA-N    		 Nc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO
    [P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)O3; c1
    nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)C
    OP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)N; c3n(C1
    OC(COP(=O)(O)OP(O)(CP(=O)(O)O)=O)C(C1)O)
    c2c(c(ncn2)N)n3; c1nc(c2c(n1)n(cn2)C3CC(
    C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)N;
    Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](
    O)(=O)O[P](O)(=O)C[P](O)(O)=O)O3    		 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine
    20587
    FCK
    CHEMBL1213372
    ZINC000058568805    		 1 C16 H18 N4 O5 InChI=1S/C16H18N4O5/c21-1
    4-8-13(19-16(24)20-14)10-
    18-25-6-2-5-17-9-11-3-1-4
    -12(7-11)15(22)23/h1,3-4,
    7-8,10,17H,2,5-6,9H2,(H,2
    2,23)(H2,19,20,21,24)/b18
    -10+;
    CZTGLADCGFOCLD-VCHYOVAHSA-N    		 O=C2NC(\C=N\OCCCNCc1cc(C(=O)O)ccc1)=CC(=
    O)N2; c1cc(cc(c1)C(=O)O)CNCCCON=CC2=CC(=
    O)NC(=O)N2; OC(=O)c1cccc(CNCCCON=CC2=CC(
    =O)NC(=O)N2)c1; OC(=O)c1cccc(CNCCCO/N=C/
    C2=CC(=O)NC(=O)N2)c1    		 3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid
    20588
    FCL
    CHEMBL1232684
    ZINC000002572523    		 1 C9 H10 Cl N O2 InChI=1S/C9H10ClNO2/c10-7
    -3-1-2-6(4-7)5-8(11)9(12)
    13/h1-4,8H,5,11H2,(H,12,1
    3)/t8-/m0/s1;
    JJDJLFDGCUYZMN-QMMMGPOBSA-N    		 c1cc(cc(c1)Cl)C[C@@H](C(=O)O)N; Clc1cc(c
    cc1)CC(C(=O)O)N; c1cc(cc(c1)Cl)CC(C(=O)O
    )N; N[CH](Cc1cccc(Cl)c1)C(O)=O; N[C@@H](
    Cc1cccc(Cl)c1)C(O)=O    		 3-CHLORO-L-PHENYLALANINE
    20589
    FCM
    CHEMBL2042814
    ZINC000059766309    		 1 C30 H26 F N O7 InChI=1S/C30H26FNO7/c1-5-
    15-10-19(31)17-9-7-6-8-16
    (17)18(15)13-32-29(37)25-
    22(38-4)11-21(35)26-27(25
    )39-23-12-20(34)24(14(2)3
    3)28(36)30(23,26)3/h6-12,
    34-35H,5,13H2,1-4H3,(H,32
    ,37)/t30-/m1/s1;
    FSXXQAXUJKNDPO-SSEXGKCCSA-N    		 CCc1cc(c2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=C
    C(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC)F; Fc2c
    1c(cccc1)c(c(c2)CC)CNC(=O)c4c3OC5=CC(O)=
    C(C(=O)C5(c3c(O)cc4OC)C)C(=O)C; CCc1cc(F
    )c2ccccc2c1CNC(=O)c3c(OC)cc(O)c4c3OC5=CC
    (=C(C(C)=O)C(=O)[C]45C)O; CCc1cc(F)c2ccc
    cc2c1CNC(=O)c3c(OC)cc(O)c4c3OC5=CC(=C(C(
    C)=O)C(=O)[C@@]45C)O; CCc1cc(c2ccccc2c1C
    NC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)C45C)C(=
    O)C)O)O)OC)F    		 (9aS)-8-acetyl-N-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
    20590
    FCN
    CHEMBL1757
    DB00828
    ZINC000001530427    		 48 C3 H7 O4 P InChI=1S/C3H7O4P/c1-2-3(7
    -2)8(4,5)6/h2-3H,1H3,(H2,
    4,5,6)/t2-,3+/m0/s1;
    YMDXZJFXQJVXBF-STHAYSLISA-N    		 C[C@@H]1O[C@@H]1[P](O)(O)=O; C[C@H]1[C@H
    ](O1)P(=O)(O)O; O=P(O)(O)C1OC1C; CC1C(O1
    )P(=O)(O)O; C[CH]1O[CH]1[P](O)(O)=O    		 FOSFOMYCIN;
    1,2-EPOXYPROPYLPHOSPHONIC ACID
    20591
    FCO    		 194 C3 Fe N2 O InChI=1S/2CN.CO.Fe/c3*1-2
    ;;
    VBQUCMTXYFMTTE-UHFFFAOYSA-N    		 C(#N)[Fe](=C=O)C#N; N#C\[Fe](C#N)=C=O; O
    =C=[Fe](C#N)C#N    		 CARBONMONOXIDE-(DICYANO) IRON
    20592
    FCP
    DB07761
    ZINC000003581444    		 1 C21 H23 F2 N5 O2 InChI=1S/C21H23F2N5O2/c1-
    28(2)11-15(29)12-30-16-8-
    6-14(7-9-16)26-19-10-20(2
    5-13-24-19)27-21-17(22)4-
    3-5-18(21)23/h3-10,13,15,
    29H,11-12H2,1-2H3,(H2,24,
    25,26,27)/t15-/m1/s1;
    ZVSBKYYVBCKDBO-OAHLLOKOSA-N    		 CN(C)C[C@@H](O)COc1ccc(Nc2cc(Nc3c(F)cccc
    3F)ncn2)cc1; CN(C)C[CH](O)COc1ccc(Nc2cc(
    Nc3c(F)cccc3F)ncn2)cc1; CN(C)CC(COc1ccc(
    cc1)Nc2cc(ncn2)Nc3c(cccc3F)F)O; Fc1cccc(
    F)c1Nc3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c3;
    CN(C)C[C@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3c(
    cccc3F)F)O    		 (2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL
    20593
    FCQ
    CHEMBL4540226    		 1 C22 H25 N7 S InChI=1S/C22H25N7S/c1-14(
    2)18-19-20(29-28-18)21(27
    -22(26-19)30-12-10-23)25-
    13-15-6-8-16(9-7-15)17-5-
    3-4-11-24-17/h3-9,11,14H,
    10,12-13,23H2,1-2H3,(H,28
    ,29)(H,25,26,27);
    PCQPAKMJSYGXRE-UHFFFAOYSA-N    		 CC(C)c1c2c(c(nc(n2)SCCN)NCc3ccc(cc3)c4cc
    ccn4)n[nH]1; CC(C)c1[nH]nc2c(NCc3ccc(cc3
    )c4ccccn4)nc(SCCN)nc12    		 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
    20594
    FCR
    CHEMBL539165
    DB03610
    ZINC000001847459    		 3 C7 H5 F3 O InChI=1S/C7H5F3O/c8-7(9,1
    0)5-1-3-6(11)4-2-5/h1-4,1
    1H;
    BAYGVMXZJBFEMB-UHFFFAOYSA-N    		 c1cc(ccc1C(F)(F)F)O; Oc1ccc(cc1)C(F)(F)F
    ; FC(F)(F)c1ccc(O)cc1    		 ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL
    20595
    FCS    		 1 C21 H23 F2 N5 O2 InChI=1S/C21H23F2N5O2/c1-
    5-7-28-17-11-24-21(25-14-
    9-15(22)18(29)16(23)10-14
    )26-19(17)27(8-6-12(2)3)1
    3(4)20(28)30/h1,9-13,29H,
    6-8H2,2-4H3,(H,24,25,26)/
    t13-/m0/s1;
    IHZPRIAIJQSUAF-ZDUSSCGKSA-N    		 CC(C)CCN1[CH](C)C(=O)N(CC#C)c2cnc(Nc3cc(
    F)c(O)c(F)c3)nc12; n1c(nc2c(c1)N(C(C(C)N
    2CCC(C)C)=O)CC#C)Nc3cc(c(c(c3)F)O)F; C[C
    @H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(
    c3)F)O)F)CC#C; CC1C(=O)N(c2cnc(nc2N1CCC(
    C)C)Nc3cc(c(c(c3)F)O)F)CC#C; CC(C)CCN1[C
    @@H](C)C(=O)N(CC#C)c2cnc(Nc3cc(F)c(O)c(F
    )c3)nc12    		 (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one
    20596
    FCT    		 0 C18 H31 F O15 InChI=1S/C18H31FO15/c19-7
    -9(24)14(5(2-21)30-16(7)2
    9)33-18-13(28)11(26)15(6(
    3-22)32-18)34-17-12(27)10
    (25)8(23)4(1-20)31-17/h4-
    18,20-29H,1-3H2/t4-,5-,6-
    ,7-,8-,9-,10+,11-,12-,13-
    ,14-,15-,16+,17+,18+/m1/s
    1;
    BZNXZJAUEMJQJB-QSCMNUSVSA-N    		 OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)
    [C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](
    F)[C@@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[
    C@@H]1O; FC3C(O)C(OC2OC(C(OC1OC(CO)C(O)C
    (O)C1O)C(O)C2O)CO)C(OC3O)CO; OC[CH]1O[CH
    ](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH
    ]3[CH](O)[CH](F)[CH](O)O[CH]3CO)[CH](O)[
    CH](O)[CH]1O; C(C1C(C(C(C(O1)OC2C(OC(C(C
    2O)O)OC3C(OC(C(C3O)F)O)CO)CO)O)O)O)O; C(
    [C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@
    @H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H
    ]3[C@H](O[C@@H]([C@@H]([C@H]3O)F)O)CO)CO
    )O)O)O)O    		 DEOXY-2-FLUORO-B-D-CELLOTRIOSIDE
    20597
    FCU    		 12 C26 H19 F3 N8 O3 InChI=1S/C26H19F3N8O3/c27
    -26(28,29)18-10-6-9-17(13
    -18)21(38)37-15-25(19-11-
    4-5-12-20(19)37,22(39)31-
    23-33-35-36-34-23)32-24(4
    0)30-14-16-7-2-1-3-8-16/h
    1-14H,15H2,(H,32,40)(H2,3
    1,33,34,35,36,39)/b30-14-
    /t25-/m1/s1;
    IOANIZJZIOBFFS-MDTWIARKSA-N    		 FC(F)(F)c1cccc(c1)C(=O)N2C[C](NC(=O)N=Cc
    3ccccc3)(C(=O)Nc4[nH]nnn4)c5ccccc25; O=C
    (Nc1nnn[NH]1)C1(NC(=O)\N=C/c2ccccc2)CN(C
    (=O)c2cccc(c2)C(F)(F)F)c2ccccc21; c1ccc(
    cc1)/C=N\C(=O)N[C@@]2(CN(c3c2cccc3)C(=O)
    c4cccc(c4)C(F)(F)F)C(=O)Nc5[nH]nnn5; FC(
    F)(F)c1cccc(c1)C(=O)N2C[C@](NC(=O)N=Cc3c
    cccc3)(C(=O)Nc4[nH]nnn4)c5ccccc25; c1ccc
    (cc1)C=NC(=O)NC2(CN(c3c2cccc3)C(=O)c4ccc
    c(c4)C(F)(F)F)C(=O)Nc5[nH]nnn5    		 (3S)-3-({[(Z)-phenylmethylidene]carbamoyl}amino)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide
    20598
    FCV
    CHEMBL4456585    		 1 C18 H13 F2 N3 O3 S InChI=1S/C18H13F2N3O3S/c1
    9-14-10-12(16-6-3-4-8-21-
    16)9-13(11-14)18(24)22-23
    -27(25,26)17-7-2-1-5-15(1
    7)20/h1-11,23H,(H,22,24);
    QLXULUNLCRKWRD-UHFFFAOYSA-N    		 c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cc(cc(c2)
    F)c3ccccn3; Fc1cc(cc(c1)c2ccccn2)C(=O)NN
    [S](=O)(=O)c3ccccc3F; c3ccnc(c2cc(C(=O)N
    NS(c1ccccc1F)(=O)=O)cc(c2)F)c3    		 3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide
    20599
    FCW
    CHEMBL4577264
    ZINC000145480932    		 1 C14 H17 N O InChI=1S/C14H17NO/c16-14-
    9-12-8-11(6-7-13(12)15-14
    )10-4-2-1-3-5-10/h6-8,10H
    ,1-5,9H2,(H,15,16);
    GAMOWVPYWCFRMK-UHFFFAOYSA-N    		 c1cc2c(cc1C3CCCCC3)CC(=O)N2; O=C1Cc2cc(c
    cc2N1)C3CCCCC3    		 5-cyclohexyl-1,3-dihydroindol-2-one
    20600
    FCX
    ZINC000098208873    		 1 C23 H37 F N7 O18 P3 InChI=1S/C23H37FN7O18P3/c
    1-23(2,17(34)20(35)27-6-4
    -13(32)26-5-3-11(24)22(36
    )37)8-46-52(43,44)49-51(4
    1,42)45-7-12-16(48-50(38,
    39)40)15(33)21(47-12)31-1
    0-30-14-18(25)28-9-29-19(
    14)31/h9-12,15-17,21,33-3
    4H,3-8H2,1-2H3,(H,26,32)(
    H,27,35)(H,36,37)(H,41,42
    )(H,43,44)(H2,25,28,29)(H
    2,38,39,40)/t11-,12+,15+,
    16+,17-,21+/m0/s1;
    JYRBBNPCUSRRNJ-KFJQBOOGSA-N    		 O=C(O)C(F)CCNC(=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)(COP(=O)(O)OP(=O)
    (O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(
    O)O)C(C(=O)NCCC(=O)NCCC(C(=O)O)F)O; CC(C
    )(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@
    H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=
    O)(O)O)[C@H](C(=O)NCCC(=O)NCC[C@@H](C(=O
    )O)F)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)NCC[C@H](F)C(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)NCC
    C(=O)NCC[CH](F)C(O)=O    		 ALPHA-FLUORO-CARBOXYMETHYLDETHIA COENZYME A COMPLEX
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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