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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
    20601
    FCY    		 0 C3 H7 N O2 S InChI=1/C3H7NO2S/c4-2(1-7
    )3(5)6/h2,7H,1,4H2,(H,5,6
    )/t2-/m0/s1/f/h5H;
    XUJNEKJLAYXESH-SNQCPAJUDK    		 N[CH](CS)C(O)=O; C([C@@H](C(=O)O)N)S; N[
    C@@H](CS)C(O)=O; O=C(O)C(N)CS; C(C(C(=O)
    O)N)S    		 FREE CYSTEINE
    20602
    FCZ
    CHEMBL4475845    		 1 C16 H17 N7 O InChI=1S/C16H17N7O/c1-7(2
    )23-14-12(8(3)19-15(17)21
    -14)13(22-23)9-4-5-11-10(
    6-9)20-16(18)24-11/h4-7H,
    1-3H3,(H2,18,20)(H2,17,19
    ,21);
    LGAJJTHJWVAHRF-UHFFFAOYSA-N    		 CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(C)nc(N)nc
    14; Cc1c2c(nn(c2nc(n1)N)C(C)C)c3ccc4c(c3
    )nc(o4)N    		 5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
    20603
    FD0    		 14 C29 H43 N7 O8 InChI=1S/C29H43N7O8/c1-2-
    28(42)36(21-7-4-3-5-8-21)
    22-11-14-35(15-12-22)16-1
    3-30-23(37)9-6-10-24(38)3
    1-17-25(39)32-18-26(40)33
    -19-27(41)34-20-29(43)44/
    h3-5,7-8,22H,2,6,9-20H2,1
    H3,(H,30,37)(H,31,38)(H,3
    2,39)(H,33,40)(H,34,41)(H
    ,43,44);
    WBAFWCQXKNZRIF-UHFFFAOYSA-N    		 CCC(=O)N(c1ccccc1)C2CCN(CC2)CCNC(=O)CCCC
    (=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O; CCC(=
    O)N(C1CCN(CCNC(=O)CCCC(=O)NCC(=O)NCC(=O)
    NCC(=O)NCC(O)=O)CC1)c2ccccc2    		 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid
    20604
    FD1
    CHEMBL1161253
    DB04238
    ZINC000003834144    		 1 C26 H28 N4 O5 S InChI=1S/C26H28N4O5S/c27-
    24(28)20-9-5-6-17(14-20)1
    5-22(25(31)30-13-4-3-10-2
    3(30)26(32)33)29-36(34,35
    )21-12-11-18-7-1-2-8-19(1
    8)16-21/h1-2,5-9,11-12,14
    ,16,22-23,29H,3-4,10,13,1
    5H2,(H3,27,28)(H,32,33)/t
    22-,23+/m0/s1;
    GNANSBQAIRJZPA-XZOQPEGZSA-N    		 [H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCCC[C
    @@H]2C(=O)O)NS(=O)(=O)c3ccc4ccccc4c3)/N;
    NC(=N)c1cccc(C[CH](N[S](=O)(=O)c2ccc3cc
    ccc3c2)C(=O)N4CCCC[CH]4C(O)=O)c1; O=C(N1
    C(C(=O)O)CCCC1)C(NS(=O)(=O)c3cc2ccccc2cc
    3)Cc4cc(C(=[N@H])N)ccc4; [H]N=C(c1cccc(c
    1)CC(C(=O)N2CCCCC2C(=O)O)NS(=O)(=O)c3ccc
    4ccccc4c3)N; NC(=N)c1cccc(C[C@H](N[S](=O
    )(=O)c2ccc3ccccc3c2)C(=O)N4CCCC[C@@H]4C(
    O)=O)c1    		 N-ALPHA-(2-NAPHTHYLSULFONYL)-N-(3-AMIDINO-L-PHENYLALANINYL)-D-PIPECOLINIC ACID
    20605
    FD2
    CHEMBL343892
    DB01745
    ZINC000012501050    		 1 C27 H30 N4 O5 S InChI=1S/C27H30N4O5S/c1-3
    6-27(33)20-11-13-31(14-12
    -20)26(32)24(16-18-5-4-8-
    22(15-18)25(28)29)30-37(3
    4,35)23-10-9-19-6-2-3-7-2
    1(19)17-23/h2-10,15,17,20
    ,24,30H,11-14,16H2,1H3,(H
    3,28,29)/t24-/m0/s1;
    JJLGQWCKMHPBEB-DEOSSOPVSA-N    		 [H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCC(CC
    2)C(=O)OC)NS(=O)(=O)c3ccc4ccccc4c3)\N; C
    OC(=O)[CH]1CCN(CC1)C(=O)[CH](Cc2cccc(c2)
    C(N)=N)N[S](=O)(=O)c3ccc4ccccc4c3; O=C(N
    1CCC(C(=O)OC)CC1)C(NS(=O)(=O)c3cc2ccccc2
    cc3)Cc4cc(C(=[N@H])N)ccc4; [H]N=C(c1cccc
    (c1)CC(C(=O)N2CCC(CC2)C(=O)OC)NS(=O)(=O)
    c3ccc4ccccc4c3)N; COC(=O)[C@H]1CCN(CC1)C
    (=O)[C@H](Cc2cccc(c2)C(N)=N)N[S](=O)(=O)
    c3ccc4ccccc4c3    		 N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)ISOPIPECOLINIC ACID METHYL ESTER
    20606
    FD3
    CHEMBL1161244
    ZINC000002043468    		 1 C24 H27 N5 O3 S InChI=1S/C24H27N5O3S/c25-
    23(26)20-7-3-4-17(14-20)1
    5-22(24(30)29-12-10-27-11
    -13-29)28-33(31,32)21-9-8
    -18-5-1-2-6-19(18)16-21/h
    1-9,14,16,22,27-28H,10-13
    ,15H2,(H3,25,26)/t22-/m0/
    s1;
    ZVDMTWWOKZXJOE-QFIPXVFZSA-N    		 [H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCNCC2
    )NS(=O)(=O)c3ccc4ccccc4c3)\N; [H]N=C(c1c
    ccc(c1)CC(C(=O)N2CCNCC2)NS(=O)(=O)c3ccc4
    ccccc4c3)N; NC(=N)c1cccc(C[CH](N[S](=O)(
    =O)c2ccc3ccccc3c2)C(=O)N4CCNCC4)c1; NC(=
    N)c1cccc(C[C@H](N[S](=O)(=O)c2ccc3ccccc3
    c2)C(=O)N4CCNCC4)c1; O=C(N1CCNCC1)C(NS(=
    O)(=O)c3cc2ccccc2cc3)Cc4cc(C(=[N@H])N)cc
    c4    		 N-ALPHA-(2-NAPHTHYLSULFONYL)-3-AMIDINO-L-PHENYLALANINE PIPERAZIDE
    20607
    FD4
    CHEMBL104815
    DB04125
    ZINC000012504152    		 1 C26 H29 N5 O4 S InChI=1S/C26H29N5O4S/c1-1
    8(32)30-11-13-31(14-12-30
    )26(33)24(16-19-5-4-8-22(
    15-19)25(27)28)29-36(34,3
    5)23-10-9-20-6-2-3-7-21(2
    0)17-23/h2-10,15,17,24,29
    H,11-14,16H2,1H3,(H3,27,2
    8)/t24-/m0/s1;
    ZUWBXGHMVKDMQO-DEOSSOPVSA-N    		 CC(=O)N1CCN(CC1)C(=O)C(Cc2cccc(c2)C(=N)N
    )NS(=O)(=O)c3ccc4ccccc4c3; CC(=O)N1CCN(C
    C1)C(=O)[CH](Cc2cccc(c2)C(N)=N)N[S](=O)(
    =O)c3ccc4ccccc4c3; O=C(N4CCN(C(=O)C(NS(=
    O)(=O)c2cc1ccccc1cc2)Cc3cc(C(=[N@H])N)cc
    c3)CC4)C; CC(=O)N1CCN(CC1)C(=O)[C@H](Cc2
    cccc(c2)C(N)=N)N[S](=O)(=O)c3ccc4ccccc4c
    3; CC(=O)N1CCN(CC1)C(=O)[C@H](Cc2cccc(c2
    )C(=N)N)NS(=O)(=O)c3ccc4ccccc4c3    		 N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)-4-ACETYL-PIPERAZINE
    20608
    FD5    		 1 C42 H54 N9 O21 P S4 InChI=1S/C42H45N9O21PS4/c
    1-20-14-27-28(15-21(20)2)
    50(18-29(52)38(54)30(53)1
    9-72-73(58,59)60)40-37(44
    -27)41(56)51(42(57)45-40)
    71-12-13-75(63,64)26-10-6
    -24(7-11-26)46-48-35-31(7
    6(65,66)67)16-22-17-32(77
    (68,69)70)36(39(55)33(22)
    34(35)43)49-47-23-4-8-25(
    9-5-23)74(3,61)62/h4-12,1
    6-17,46-49,55,61-70H,13,1
    8-19,43H2,1-3H3,(H2,58,59
    ,60)/q-1/p-2;
    TXYTWWRFFRJGBC-UHFFFAOYSA-L    		 Cc1cc2N=C3C(=O)N(OCC[S](O)(O)c4ccc(NNc5c
    (N)c6c(O)c(NNc7ccc(cc7)[S](C)(O)O)c(cc6c
    c5[S](O)(O)O)[S](O)(O)O)cc4)C(=O)N=C3N(C
    [CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1
    C; Cc1cc2N=C3C(=O)N(OCC[S](O)(O)c4ccc(NN
    c5c(N)c6c(O)c(NNc7ccc(cc7)[S](C)(O)O)c(c
    c6cc5[S](O)(O)O)[S](O)(O)O)cc4)C(=O)N=C3
    N(C[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=
    O)c2cc1C; Cc1cc2c(cc1C)N(C3=NC(=O)N(C(=O
    )C3=N2)OCCS(c4ccc(cc4)NNc5c(cc6cc(c(c(c6
    c5N)O)NNc7ccc(cc7)S(C)(O)O)S(O)(O)O)S(O)
    (O)O)(O)O)CC(C(C(COP(=O)(O)O)O)O)O    		 [5-[3-[2-[[4-[2-[1-azanyl-7-[2-[4-[methyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]hydrazinyl]-8-oxidanyl-3,6-bis[tris(oxidanyl)-$l^{4}-sulfanyl]naphthalen-2-yl]hydrazinyl]phenyl]-bis(oxidanyl)-$l^{4}-sulfanyl]ethoxy]-7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate;
    FAD DERIVATIVE
    20609
    FD6    		 1 C19 H23 Cl N4 S InChI=1S/C19H23ClN4S/c1-2
    2-10-12-23(13-11-22)21-8-
    9-24-16-4-2-3-5-18(16)25-
    19-7-6-15(20)14-17(19)24/
    h2-7,14,21H,8-13H2,1H3;
    FCJWPLVHJGKUHJ-UHFFFAOYSA-N    		 CN1CCN(CC1)NCCN2c3ccccc3Sc4c2cc(cc4)Cl;
    CN1CCN(CC1)NCCN2c3ccccc3Sc4ccc(Cl)cc24    		 N-[2-(2-chloranylphenothiazin-10-yl)ethyl]-4-methyl-piperazin-1-amine;
    FD16
    20610
    FD7
    CHEMBL5082711    		 9 C14 H22 N4 O InChI=1S/C14H22N4O/c1-4-1
    0-8-7-9-11(5-2)12(10)17-1
    4(19)18-13(15)16-6-3/h7-9
    H,4-6H2,1-3H3,(H4,15,16,1
    7,18,19);
    VHGRQUGTHVVVTE-UHFFFAOYSA-N    		 c1(c(cccc1CC)CC)NC(=O)N/C(=N)NCC; CCc1cc
    cc(c1NC(=O)NC(=N)NCC)CC; [H]/N=C(/NCC)\N
    C(=O)Nc1c(cccc1CC)CC; CCNC(=N)NC(=O)Nc1c
    (CC)cccc1CC    		 N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea
    20611
    FD8
    ZINC000064746569    		 8 C20 H9 F8 N O2 InChI=1S/C20H9F8NO2/c21-1
    3-14(22)16(24)18(17(25)15
    (13)23)31-10-5-3-4-9(8-10
    )29-19(30)11-6-1-2-7-12(1
    1)20(26,27)28/h1-8H,(H,29
    ,30);
    ZTJJBXFGRJEBCQ-UHFFFAOYSA-N    		 c1ccc(c(c1)C(=O)Nc2cccc(c2)Oc3c(c(c(c(c3
    F)F)F)F)F)C(F)(F)F; Fc1c(F)c(F)c(Oc2cccc
    (NC(=O)c3ccccc3C(F)(F)F)c2)c(F)c1F    		 N-[3-(pentafluorophenoxy)phenyl]-2-(trifluoromethyl)benzamide
    20612
    FD9
    CHEMBL3422676
    ZINC000231375061    		 1 C26 H25 N5 O3 InChI=1S/C26H25N5O3/c1-16
    -23(17(2)34-30-16)15-31-1
    4-18(13-27)22-12-21(9-10-
    25(22)31)33-20-7-5-19(6-8
    -20)29-26(32)24-4-3-11-28
    -24/h5-10,12,14,24,28H,3-
    4,11,15H2,1-2H3,(H,29,32)
    /t24-/m0/s1;
    NDIKFKQBWGMLCA-DEOSSOPVSA-N    		 Cc1c(c(on1)C)Cn2cc(c3c2ccc(c3)Oc4ccc(cc4
    )NC(=O)[C@@H]5CCCN5)C#N; Cc1c(c(on1)C)Cn
    2cc(c3c2ccc(c3)Oc4ccc(cc4)NC(=O)C5CCCN5)
    C#N; Cc1onc(C)c1Cn2cc(C#N)c3cc(Oc4ccc(NC
    (=O)[CH]5CCCN5)cc4)ccc23; Cc1onc(C)c1Cn2
    cc(C#N)c3cc(Oc4ccc(NC(=O)[C@@H]5CCCN5)cc
    4)ccc23    		 (2S)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
    20613
    FDA
    ZINC000095099885    		 411 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
    ,14-16,19-21,26,32,37-41H
    ,5-7H2,1-2H3,(H,44,45)(H,
    46,47)(H2,28,29,30)(H2,33
    ,34,42,43)/t14-,15+,16+,1
    9-,20+,21+,26+/m0/s1;
    YPZRHBJKEMOYQH-UYBVJOGSSA-N    		 Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)CC(
    C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cn
    c6c5ncnc6N)O)O)O)O)O; Cc1cc2NC3=C(NC(=O)
    NC3=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)
    n5cnc6c(N)ncnc56)c2cc1C; Cc1cc2NC3=C(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)n5cnc6c(N)ncnc56)c2cc1C; O=
    C3C=2Nc1cc(c(cc1N(C=2NC(=O)N3)CC(O)C(O)C
    (O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncn
    c45)N)C(O)C6O)C)C; Cc1cc2c(cc1C)N(C3=C(N
    2)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)n5cnc6c5ncnc6N)O)O)O)O)O    		 DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
    20614
    FDB
    CHEMBL3318499
    ZINC000032203833    		 4 C7 H8 N4 O InChI=1S/C7H8N4O/c1-3-2-9
    -5-4(3)6(12)11-7(8)10-5/h
    2H,1H3,(H4,8,9,10,11,12);
    AYVRAXSWHNOEEQ-UHFFFAOYSA-N    		 O=C1c2c(cnc2N=C(N)N1)C; Cc1c[nH]c2c1C(=O
    )NC(=N2)N; Cc1c[nH]c2N=C(N)NC(=O)c12    		 2-amino-5-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
    20615
    FDC    		 0 C12 H22 Fe2 O14 InChI=1/2C6H14O7.2Fe/c2*7
    -3(8)1-6(13,5(11)12)2-4(9
    )10;;/h2*3-5,7-13H,1-2H2;
    ;/rC12H28Fe2O14/c15-5-1-1
    1-3-7(17)23-14-22-6(16)2-
    12(10(20)26-14)4-8(18)24-
    13(21-5,27(11)14,28(12)14
    )25-9(11)19/h5-10,15-28H,
    1-4H2/t5-,6+,7-,8-,9?,10+
    ,11+,12-/m1/s1;
    BGURZCSVZZTKOB-BNYKURMYBT    		 C1C([OH][Fe]234[OH]C(CC56[OH]2[Fe]7([OH]
    3C1(CC([OH]7)[O])C([OH]4)[O])([OH]C(C5)[
    O])[OH]C6[O])[O])[O]; [O][C@@H]1O|[Fe]23
    |4|O[C@H]([O])CC5(C[C@H]([O])O|[Fe]|67(|
    O[C@@H]([O])CC(C1)([C@H]([O])O|6)[OH]27)
    [OH]35)[C@@H]([O])O|4; [O][CH]1O|[Fe]23|
    4|O[CH]([O])CC5(C[CH]([O])O|[Fe]|67(|O[C
    H]([O])CC(C1)([CH]([O])O|6)[OH]27)[OH]35
    )[CH]([O])O|4; C1C([O@@H][Fe]234[O@H]C(C
    [C@@]56[OH]2[Fe]7([OH]3[C@]1(CC([O@@H]7)
    [O])C([O@@H]4)[O])([O@H]C(C5)[O])[O@H]C6
    [O])[O])[O]    		 IRON(III) DICITRATE;
    DINUCLEAR FERRIC CITRATE
    20616
    FDD    		 2 C32 H32 Fe N4 O4 InChI=1S/C32H34N4O4.Fe/c1
    -15-17(3)25-12-27-19(5)21
    (7-9-31(37)38)29(35-27)14
    -30-22(8-10-32(39)40)20(6
    )28(36-30)13-26-18(4)16(2
    )24(34-26)11-23(15)33-25;
    /h11-14H,7-10H2,1-6H3,(H4
    ,33,34,35,36,37,38,39,40)
    ;/q;+7/p-2/b23-11-,24-11-
    ,25-12-,26-13-,27-12-,28-
    13-,29-14-,30-14-;;
    FALMRKXKKOZWNG-YDTHOXGASA-L    		 Cc1c(c2cc3[n+]4c(cc5c(c(c6n5[Fe@@+3]47n2
    c1cc8[n+]7c(c6)C(=C8C)C)C)CCC(=O)O)C(=C3
    C)CCC(=O)O)C; Cc1c(C)c2C=C3C(=C(CCC(O)=O
    )C4=[N@+]3[Fe@@+3]56n2c1C=C7C(=C(C)C(=[N
    @@+]57)C=C8[N@@]6C(=C4)C(=C8C)CCC(O)=O)C
    )C; O=C(O)CCC5=C(c4cc3C(=C(C2=Cc8c(c(c7c
    c1C(=C(C6=[n+]1[Fe+3]([n+]23)(n4C5=C6)n7
    8)CCC(=O)O)C)C)C)C)C)C; Cc1c(C)c2C=C3C(=
    C(CCC(O)=O)C4=[N+]3[Fe+3]56n2c1C=C7C(=C(
    C)C(=[N+]57)C=C8[N]6C(=C4)C(=C8C)CCC(O)=
    O)C)C; Cc1c(c2cc3[n+]4c(cc5c(c(c6n5[Fe+3
    ]47n2c1cc8[n+]7c(c6)C(=C8C)C)C)CCC(=O)O)
    C(=C3C)CCC(=O)O)C    		 FE(III) 2,4-DIMETHYL DEUTEROPORPHYRIN IX
    20617
    FDE    		 31 C30 H28 Fe N4 O4 InChI=1S/C30H30N4O4.Fe/c1
    -15-9-20-12-25-17(3)21(5-
    7-29(35)36)27(33-25)14-28
    -22(6-8-30(37)38)18(4)26(
    34-28)13-24-16(2)10-19(32
    -24)11-23(15)31-20;/h9-14
    H,5-8H2,1-4H3,(H4,31,32,3
    3,34,35,36,37,38);/q;+2/p
    -2/b19-11-,20-12-,23-11-,
    24-13-,25-12-,26-13-,27-1
    4-,28-14-;;
    QQYZTXBVPVYDJC-RWRCOHKGSA-L    		 CC1=CC2=Cc3n4[Fe][N]5C(=CC1=N2)C(=C(CCC(
    O)=O)C5=CC6=NC(=Cc4cc3C)C(=C6CCC(O)=O)C)
    C; Cc1cc2n3c1C=C4C=C(C5=[N]4[Fe]36[N]7=C
    (C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)
    C)CCC(=O)O)C; CC1=CC2=Cc3n4[Fe][N@@]5C(=
    CC1=N2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4cc3C)
    C(=C6CCC(O)=O)C)C    		 FE(III) DEUTEROPORPHYRIN IX
    20618
    FDF
    ZINC000064446573    		 9 C15 H26 F2 O7 P2 InChI=1S/C15H26F2O7P2/c1-
    13(7-4-8-15(11-16)12-17)5
    -3-6-14(2)9-10-23-26(21,2
    2)24-25(18,19)20/h5,8-9H,
    3-4,6-7,10-12H2,1-2H3,(H,
    21,22)(H2,18,19,20)/b13-5
    +,14-9+;
    PVNRGYDHHSWPHV-HJAIQHMZSA-N    		 CC(/CCC=C(CF)CF)=C\CCC(/C)=C/CO[P@@](O)(
    =O)O[P](O)(O)=O; FC/C(=C\CCC(=C\CC/C(=C/
    COP(=O)(OP(=O)(O)O)O)C)\C)CF; CC(=CCCC(=
    CCOP(=O)(O)OP(=O)(O)O)C)CCC=C(CF)CF; C/C
    (=C\CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/
    CCC=C(CF)CF; CC(CCC=C(CF)CF)=CCCC(C)=CCO
    [P](O)(=O)O[P](O)(O)=O    		 (2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
    20619
    FDG
    ZINC000058632949    		 0 C10 H13 F N5 O8 P InChI=1S/C10H13FN5O8P/c11
    -3-5(17)2(1-23-25(20,21)2
    2)24-8(3)16-6-4(13-10(16)
    19)7(18)15-9(12)14-6/h2-3
    ,5,8,17H,1H2,(H,13,19)(H2
    ,20,21,22)(H3,12,14,15,18
    )/t2-,3+,5-,8-/m1/s1;
    UPQKRMLTATYYQE-HFZKREBBSA-N    		 C([C@@H]1[C@H]([C@@H]([C@@H](O1)N2C3=C(C
    (=O)NC(=N3)N)NC2=O)F)O)OP(=O)(O)O; O=P(O
    )(O)OCC3OC(N2C(=O)NC1=C2N=C(N)NC1=O)C(F)
    C3O; NC1=NC2=C(NC(=O)N2[C@@H]3O[C@H](CO[
    P](O)(O)=O)[C@@H](O)[C@@H]3F)C(=O)N1; NC
    1=NC2=C(NC(=O)N2[CH]3O[CH](CO[P](O)(O)=O
    )[CH](O)[CH]3F)C(=O)N1; C(C1C(C(C(O1)N2C
    3=C(C(=O)NC(=N3)N)NC2=O)F)O)OP(=O)(O)O    		 2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7,9-dihydro-1H-purine-6,8-dione
    20620
    FDH
    CHEMBL4549761    		 1 C15 H14 Cl N7 O InChI=1S/C15H14ClN7O/c1-6
    (2)23-13-10(12(16)20-14(1
    7)21-13)11(22-23)7-3-4-9-
    8(5-7)19-15(18)24-9/h3-6H
    ,1-2H3,(H2,18,19)(H2,17,2
    0,21);
    YDFGZXSSYDSJRM-UHFFFAOYSA-N    		 CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(nc(
    n2)N)Cl; CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(
    Cl)nc(N)nc14    		 5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
    20621
    FDI
    DB07762
    ZINC000002047891    		 1 C15 H20 N2 O4 InChI=1S/C15H20N2O4/c1-4-
    10(5-2)14(19)17-13-8-11(1
    5(20)21)6-7-12(13)16-9(3)
    18/h6-8,10H,4-5H2,1-3H3,(
    H,16,18)(H,17,19)(H,20,21
    );
    USKXJFHTBQWXCS-UHFFFAOYSA-N    		 CCC(CC)C(=O)Nc1cc(ccc1NC(=O)C)C(=O)O; O=
    C(Nc1cc(ccc1NC(=O)C)C(=O)O)C(CC)CC; CCC(
    CC)C(=O)Nc1cc(ccc1NC(C)=O)C(O)=O    		 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID
    20622
    FDJ    		 2 C11 H18 Cl N2 O13 P3 InChI=1S/C11H18ClN2O13P3/
    c1-5-3-14(11(17)13-9(5)16
    )8-2-6(15)7(26-8)4-25-30(
    23,24)27-29(21,22)10(12)2
    8(18,19)20/h3,6-8,10,15H,
    2,4H2,1H3,(H,21,22)(H,23,
    24)(H,13,16,17)(H2,18,19,
    20)/t6-,7+,8+,10+/m0/s1;
    AEQPCMIHLIQHEG-OKJYPTKPSA-N    		 CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP
    (=O)(C(P(=O)(O)O)Cl)O)O; CC1=CN(C(=O)NC1
    =O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=
    O)([C@@H](P(=O)(O)O)Cl)O)O; C1(NC(=O)C(C
    )=CN1C2OC(C(C2)O)COP(=O)(O)OP(O)(C(P(O)(
    O)=O)Cl)=O)=O; CC1=CN([CH]2C[CH](O)[CH](
    CO[P](O)(=O)O[P](O)(=O)[CH](Cl)[P](O)(O)
    =O)O2)C(=O)NC1=O; CC1=CN([C@H]2C[C@H](O)
    [C@@H](CO[P](O)(=O)O[P](O)(=O)[C@H](Cl)[
    P](O)(O)=O)O2)C(=O)NC1=O    		 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine
    20623
    FDK    		 1 C7 H12 O5 InChI=1S/C7H12O5/c8-2-3-1
    -4(9)6(11)7(12)5(3)10/h1,
    4-12H,2H2/t4-,5-,6-,7-/m0
    /s1;
    PJPGMULJEYSZBS-AXMZGBSTSA-N    		 OCC1=C[C@H](O)[C@H](O)[C@@H](O)[C@H]1O;
    C1=C(C(C(C(C1O)O)O)O)CO; C1=C([C@@H]([C@
    @H]([C@H]([C@H]1O)O)O)O)CO; OCC1=C[CH](O
    )[CH](O)[CH](O)[CH]1O    		 (1~{S},2~{S},3~{S},4~{S})-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
    20624
    FDL
    ZINC000098208874    		 0 C18 H23 N3 O4 InChI=1S/C18H23N3O4/c1-11
    -9-17(23)25-16-10-13(6-7-
    14(11)16)21-18(24)15(19)5
    -3-4-8-20-12(2)22/h6-7,9-
    10,15H,3-5,8,19H2,1-2H3,(
    H,20,22)(H,21,24)/t15-/m0
    /s1;
    CDFJPCDMYIJWOC-HNNXBMFYSA-N    		 CC1=CC(=O)Oc2c1ccc(c2)NC(=O)[C@H](CCCCNC
    (=O)C)N; CC1=CC(=O)Oc2c1ccc(c2)NC(=O)C(C
    CCCNC(=O)C)N; CC(=O)NCCCC[C@H](N)C(=O)Nc
    1ccc2C(=CC(=O)Oc2c1)C; O=C(NCCCCC(N)C(=O
    )Nc2ccc1c(OC(=O)C=C1C)c2)C; CC(=O)NCCCC[
    CH](N)C(=O)Nc1ccc2C(=CC(=O)Oc2c1)C    		 N~6~-acetyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-lysinamide
    20625
    FDM
    CHEMBL1160619
    DB03195
    ZINC000006521360    		 2 C10 H14 F N2 O7 P InChI=1S/C10H14FN2O7P/c1-
    5-3-13(10(15)12-9(5)14)8-
    2-6(11)7(20-8)4-19-21(16,
    17)18/h3,6-8H,2,4H2,1H3,(
    H,12,14,15)(H2,16,17,18)/
    t6-,7+,8+/m0/s1;
    GGCAVPJXJISBOA-XLPZGREQSA-N    		 CC1=CN([C@H]2C[C@H](F)[C@@H](CO[P](O)(O)
    =O)O2)C(=O)NC1=O; O=C1NC(=O)N(C=C1C)C2OC
    (C(F)C2)COP(=O)(O)O; CC1=CN(C(=O)NC1=O)[
    C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)F; CC1
    =CN([CH]2C[CH](F)[CH](CO[P](O)(O)=O)O2)C
    (=O)NC1=O; CC1=CN(C(=O)NC1=O)C2CC(C(O2)C
    OP(=O)(O)O)F    		 3'-FLUORO-3'-DEOXYTHYMIDINE MONOPHOSPHATE;
    PHOSPHORIC ACID MONO-[3-FLUORO-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-TETRAHYRO-FURAN-2-YLMETHYL] ESTER
    20626
    FDN
    DB07763
    ZINC000024798879    		 1 C16 H12 F2 N2 O3 InChI=1S/C16H12F2N2O3/c1-
    16(12-8-7-10(17)9-13(12)1
    8)14(21)20(15(22)23-16)19
    -11-5-3-2-4-6-11/h2-9,19H
    ,1H3/t16-/m0/s1;
    OZZFJGCAYWBVBI-INIZCTEOSA-N    		 C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(c
    c3F)F; C[C@]1(OC(=O)N(Nc2ccccc2)C1=O)c3c
    cc(F)cc3F; CC1(C(=O)N(C(=O)O1)Nc2ccccc2)
    c3ccc(cc3F)F; C[C]1(OC(=O)N(Nc2ccccc2)C1
    =O)c3ccc(F)cc3F; O=C2OC(C(=O)N2Nc1ccccc1
    )(c3ccc(F)cc3F)C    		 (5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE;
    5-(2,4-DIFLUORO-PHENYL)-5-METHYL-3-PHENYLAMINO-OXAZOLIDINE-2,4-DIONE
    20627
    FDO    		 1 C7 H16 N2 O InChI=1S/C7H16N2O/c1-5(2)
    4-6(9-3)7(8)10/h5-6,9H,4H
    2,1-3H3,(H2,8,10)/t6-/m1/
    s1;
    FBFNXGHTGRJJHX-ZCFIWIBFSA-N    		 CN[C@H](CC(C)C)C(N)=O; CC(C)CC(C(=O)N)NC
    ; CC(C)C[C@H](C(=O)N)NC; CN[CH](CC(C)C)C
    (N)=O    		 (2~{R})-4-methyl-2-(methylamino)pentanamide
    20628
    FDP
    ZINC000004228295    		 87 C6 H14 O12 P2 InChI=1S/C6H14O12P2/c7-2-
    6(18-20(13,14)15)5(9)4(8)
    3(17-6)1-16-19(10,11)12/h
    3-5,7-9H,1-2H2,(H2,10,11,
    12)(H2,13,14,15)/t3-,4-,5
    +,6+/m1/s1;
    YXWOAJXNVLXPMU-ZXXMMSQZSA-N    		 O=P(OC1(OC(C(O)C1O)COP(=O)(O)O)CO)(O)O;
    C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)
    (O)O)O)O)OP(=O)(O)O; OC[C]1(O[CH](CO[P](
    O)(O)=O)[CH](O)[CH]1O)O[P](O)(O)=O; OC[C
    @]1(O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]
    1O)O[P](O)(O)=O; C(C1C(C(C(O1)(CO)OP(=O)
    (O)O)O)O)OP(=O)(O)O    		 2,6-di-O-phosphono-beta-D-fructofuranose;
    FRUCTOSE-2,6-DIPHOSPHATE;
    2,6-di-O-phosphono-beta-D-fructose;
    2,6-di-O-phosphono-D-fructose;
    2,6-di-O-phosphono-fructose
    20629
    FDQ
    DB02393
    ZINC000005829950    		 1 C6 H14 O10 P2 InChI=1S/C6H14O10P2/c7-5-
    3(1-15-18(12,13)14)16-4(6
    (5)8)2-17(9,10)11/h3-8H,1
    -2H2,(H2,9,10,11)(H2,12,1
    3,14)/t3-,4+,5-,6-/m1/s1;
    YBOWGOLYQKBCFB-JGWLITMVSA-N    		 O[CH]1[CH](O)[CH](C[P](O)(O)=O)O[CH]1CO[
    P](O)(O)=O; O[C@H]1[C@H](O)[C@H](C[P](O)
    (O)=O)O[C@@H]1CO[P](O)(O)=O; O=P(OCC1OC(
    C(O)C1O)CP(=O)(O)O)(O)O; C([C@@H]1[C@H](
    [C@@H]([C@@H](O1)CP(=O)(O)O)O)O)OP(=O)(O
    )O; C(C1C(C(C(O1)CP(=O)(O)O)O)O)OP(=O)(O
    )O    		 2,5-anhydro-1-deoxy-1-phosphono-6-O-phosphono-D-glucitol;
    D-GLUCO-2,5-ANHYDRO-1-DEOXY-1-PHOSPHONOHEXITOL-6-PHOSPHATE
    20630
    FDR
    CHEMBL1300272
    ZINC000018213251    		 3 C10 H10 N2 O S InChI=1S/C10H10N2OS/c1-5-
    11-9(13)8-6-3-2-4-7(6)14-
    10(8)12-5/h2-4H2,1H3,(H,1
    1,12,13);
    SSAMSKJKRMKXFV-UHFFFAOYSA-N    		 CC1=Nc2c(c3c(s2)CCC3)C(=O)N1; CC1=Nc2sc3
    CCCc3c2C(=O)N1; O=C1c2c3c(sc2N=C(N1)C)CC
    C3    		 2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
    20631
    FDS
    CHEMBL1232699
    DB07764
    ZINC000005847030    		 8 C20 H14 O5 InChI=1S/C20H14O5/c21-11-
    5-7-15-17(9-11)25-18-10-1
    2(22)6-8-16(18)19(15)13-3
    -1-2-4-14(13)20(23)24/h1-
    10,19,21-22H,(H,23,24);
    MURGITYSBWUQTI-UHFFFAOYSA-N    		 c1ccc(c(c1)C2c3ccc(cc3Oc4c2ccc(c4)O)O)C(
    =O)O; OC(=O)c1ccccc1[C@@H]2c3ccc(O)cc3Oc
    4cc(O)ccc24; O=C(O)c1ccccc1C3c4c(Oc2c3cc
    c(O)c2)cc(O)cc4; OC(=O)c1ccccc1[CH]2c3cc
    c(O)cc3Oc4cc(O)ccc24    		 FLUORESCIN
    20632
    FDT
    DB02816
    ZINC000103541321    		 1 C10 H10 N4 O3 S InChI=1S/C10H10N4O3S/c1-1
    4-3-7(12-13-14)9-6(4-15)2
    -11-8(5-18-9)10(16)17/h2-
    5,9,11H,1H3,(H,16,17)/t9-
    /m0/s1;
    BCPHJDLBOJMWOD-VIFPVBQESA-N    		 Cn1cc(nn1)[C@@H]2C(=CNC(=CS2)C(=O)O)C=O;
    Cn1cc(nn1)[C@H]2SC=C(NC=C2C=O)C(O)=O; O
    =C(O)C=1NC=C(C=O)C(SC=1)c2nnn(c2)C; Cn1c
    c(nn1)C2C(=CNC(=CS2)C(=O)O)C=O; Cn1cc(nn
    1)[CH]2SC=C(NC=C2C=O)C(O)=O    		 (7R)-6-FORMYL-7-(1-METHYL-1H-1,2,3-TRIAZOL-4-YL)-4,7-DIHYDRO-1,4-THIAZEPINE-3-CARBOXYLIC ACID;
    7-(1-METHYL-1,2,3-TRIAZOL-4-YL)-6-FORMYL-2,7-DIHYDRO-[1,4]THIAZEPINE-3-CARBOXYLIC ACID;
    BRL42715;
    C6-(N1-METHYL-1,2,3-TRIAZOLYLMETHYLENE)PENEM
    20633
    FDU
    CHEMBL2368299
    ZINC000026721200    		 2 C11 H11 F N2 O5 InChI=1S/C11H11FN2O5/c1-2
    -5-3-14(11(18)13-9(5)17)1
    0-7(12)8(16)6(4-15)19-10/
    h1,3,6-8,10,15-16H,4H2,(H
    ,13,17,18)/t6-,7+,8-,10-/
    m1/s1;
    YEEGMPUOCRQFRV-IBCQBUCCSA-N    		 OC[CH]1O[CH]([CH](F)[CH]1O)N2C=C(C#C)C(=
    O)NC2=O; O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2
    F)CO; OC[C@H]1O[C@H]([C@@H](F)[C@@H]1O)N
    2C=C(C#C)C(=O)NC2=O; C#CC1=CN(C(=O)NC1=O
    )[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F; C#C
    C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F    		 1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione;
    (2'S)-2'-DEOXY-2'-FLUORO-5-ETHYNYLURIDINE
    20634
    FDV    		 1 C12 H21 N2 O13 P3 InChI=1S/C12H21N2O13P3/c1
    -6-4-14(12(17)13-11(6)16)
    10-3-8(15)9(26-10)5-25-30
    (23,24)27-29(21,22)7(2)28
    (18,19)20/h4,7-10,15H,3,5
    H2,1-2H3,(H,21,22)(H,23,2
    4)(H,13,16,17)(H2,18,19,2
    0)/t7-,8-,9+,10+/m0/s1;
    UWVKVMOYWXUGRK-AXTSPUMRSA-N    		 C[CH]([P](O)(O)=O)[P](O)(=O)O[P](O)(=O)O
    C[CH]1O[CH](C[CH]1O)N2C=C(C)C(=O)NC2=O;
    C[C@@H]([P](O)(O)=O)[P](O)(=O)O[P](O)(=O
    )OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C)C(=O)N
    C2=O; N1(C=C(C(NC1=O)=O)C)C2OC(C(C2)O)CO
    P(=O)(O)OP(O)(C(P(=O)(O)O)C)=O; CC1=CN(C
    (=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(C(C
    )P(=O)(O)O)O)O; CC1=CN(C(=O)NC1=O)[C@H]2
    C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@@H]
    (C)P(=O)(O)O)O)O    		 5'-O-[(R)-hydroxy({(R)-hydroxy[(1S)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]thymidine
    20635
    FDW
    CHEMBL4529672    		 1 C15 H16 N8 O InChI=1S/C15H16N8O/c1-6(2
    )23-13-10(12(16)20-14(17)
    21-13)11(22-23)7-3-4-9-8(
    5-7)19-15(18)24-9/h3-6H,1
    -2H3,(H2,18,19)(H4,16,17,
    20,21);
    HGZOUPKZPOAOOQ-UHFFFAOYSA-N    		 CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(nc(
    n2)N)N; CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N
    )nc(N)nc14    		 3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine
    20636
    FDX    		 3 C15 H25 N3 O6 S InChI=1S/C15H25N3O6S/c1-1
    8(2)13(20)10-3-7(5-16-10)
    25-11-4-9(8(6-19)14(21)22
    )17-12(11)15(23)24/h7-11,
    14,16,19,21-22H,3-6H2,1-2
    H3,(H,23,24)/t7-,8-,9-,10
    -,11+/m1/s1;
    XKDKVNYTYXSQPL-ILAIQSSSSA-N    		 CN(C)C(=O)C1CC(SC2CC(N=C2C(=O)O)C(CO)C(O
    )O)CN1; CN(C)C(=O)[C@H]1C[C@H](CN1)S[C@H
    ]2C[C@@H](N=C2C(O)=O)[C@@H](CO)C(O)O; CN
    (C)C(=O)[C@H]1C[C@H](CN1)S[C@H]2C[C@@H](
    N=C2C(=O)O)[C@@H](CO)C(O)O; CN(C)C(=O)[C
    H]1C[CH](CN1)S[CH]2C[CH](N=C2C(O)=O)[CH]
    (CO)C(O)O; CN(C)C(=O)C1CC(CN1)SC2CC(N=C2
    C(=O)O)C(CO)C(O)O    		 (2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid
    20637
    FDY    		 1 C11 H18 F N2 O13 P3 InChI=1S/C11H18FN2O13P3/c
    1-5-3-14(11(17)13-9(5)16)
    8-2-6(15)7(26-8)4-25-30(2
    3,24)27-29(21,22)10(12)28
    (18,19)20/h3,6-8,10,15H,2
    ,4H2,1H3,(H,21,22)(H,23,2
    4)(H,13,16,17)(H2,18,19,2
    0)/t6-,7+,8+,10+/m0/s1;
    XUHVKXPQGWCRQM-OKJYPTKPSA-N    		 CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(=O
    )O[P](O)(=O)[C@H](F)[P](O)(O)=O)O2)C(=O)
    NC1=O; CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([
    C@H](O2)COP(=O)(O)OP(=O)([C@H](F)P(=O)(O
    )O)O)O; C1(NC(=O)C(C)=CN1C2OC(C(C2)O)COP
    (=O)(O)OP(O)(C(P(O)(O)=O)F)=O)=O; CC1=CN
    (C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(C
    (F)P(=O)(O)O)O)O; CC1=CN([CH]2C[CH](O)[C
    H](CO[P](O)(=O)O[P](O)(=O)[CH](F)[P](O)(
    O)=O)O2)C(=O)NC1=O    		 5'-O-[(R)-{[(R)-[(R)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine
    20638
    FDZ
    ZINC000584905576    		 1 C10 H7 F3 N4 O2 S InChI=1S/C10H7F3N4O2S/c11
    -10(12,13)19-7-3-1-2-6(4-
    7)15-9(18)16-8-5-14-17-20
    -8/h1-5H,(H2,15,16,18);
    CKHACPXJTNTCBW-UHFFFAOYSA-N    		 c1cc(cc(c1)OC(F)(F)F)NC(=O)Nc2cnns2; FC(
    F)(F)Oc1cccc(NC(=O)Nc2snnc2)c1    		 1-(1,2,3-thiadiazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]urea
    20639
    FE
    DB13949    		 7767 Fe InChI=1S/Fe/q+3;
    VTLYFUHAOXGGBS-UHFFFAOYSA-N    		 [Fe+3] FE (III) ION
    20640
    FE0    		 2 C6 H12 O4 InChI=1S/C6H12O4/c7-2-3-4
    (8)1-5(9)6(3)10/h3-10H,1-
    2H2/t3-,4-,5+,6+/m1/s1;
    KWAKQXVHPAXYRX-ZXXMMSQZSA-N    		 C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO)O; OC[
    C@@H]1[C@H](O)C[C@H](O)[C@H]1O; OC[CH]1[
    CH](O)C[CH](O)[CH]1O; C1C(C(C(C1O)O)CO)O    		 (1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol
    20641
    FE1
    CHEMBL1232702
    DB07765
    ZINC000053683191    		 7 C22 H26 N8 O3 InChI=1S/C22H26N8O3/c1-29
    (12-15-11-25-19-17(26-15)
    18(23)27-22(24)28-19)16-5
    -3-13(4-6-16)20(31)30-9-7
    -14(8-10-30)21(32)33-2/h3
    -6,11,14H,7-10,12H2,1-2H3
    ,(H4,23,24,25,27,28);
    UKCFUFHREWUXJJ-UHFFFAOYSA-N    		 O=C(c3ccc(N(Cc1nc2c(nc1)nc(nc2N)N)C)cc3)
    N4CCC(C(=O)OC)CC4; CN(Cc1cnc2c(n1)c(nc(n
    2)N)N)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC;
    COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)N(C)Cc3c
    nc4nc(N)nc(N)c4n3    		 METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE;
    903R
    20642
    FE2
    DB14510    		 3846 Fe InChI=1S/Fe/q+2;
    CWYNVVGOOAEACU-UHFFFAOYSA-N    		 [Fe+2]; [Fe++] FE (II) ION
    20643
    FE3    		 0 C9 H10 Cl N O2 InChI=1S/C9H10ClNO2/c10-8
    -5-7(9(12)13)2-1-6(8)3-4-
    11/h1-2,5H,3-4,11H2,(H,12
    ,13);
    YJVHGANWEFKXDQ-UHFFFAOYSA-N    		 NCCc1ccc(cc1Cl)C(O)=O; c1cc(c(cc1C(=O)O)
    Cl)CCN; Clc1cc(ccc1CCN)C(=O)O    		 4-(2-aminoethyl)-3-chlorobenzoic acid
    20644
    FE5
    CHEMBL3545097
    DB11836
    ZINC000073069271    		 1 C15 H15 N7 O InChI=1S/C15H15N7O/c1-7(2
    )22-14-11(13(16)18-6-19-1
    4)12(21-22)8-3-4-10-9(5-8
    )20-15(17)23-10/h3-7H,1-2
    H3,(H2,17,20)(H2,16,18,19
    );
    GYLDXIAOMVERTK-UHFFFAOYSA-N    		 CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(ncn
    2)N; CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)nc
    nc14    		 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
    20645
    FE6
    CHEMBL5266569    		 1 C12 H8 Br Cl F N5 InChI=1S/C12H8BrClFN5/c13
    -7-2-1-6(9(15)3-7)5-20-11
    -8(4-17-20)10(14)18-12(16
    )19-11/h1-4H,5H2,(H2,16,1
    8,19);
    UKBISIPKUKNJKU-UHFFFAOYSA-N    		 Nc1nc(Cl)c2cnn(Cc3ccc(Br)cc3F)c2n1; c1cc
    (c(cc1Br)F)Cn2c3c(cn2)c(nc(n3)N)Cl    		 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine
    20646
    FE7
    CHEMBL514409
    ZINC000003944221    		 5 C29 H32 N4 O3 S InChI=1S/C29H32N4O3S/c1-2
    -37(35,36)32-24-15-16-26-
    25(19-24)27(29(34)31-26)2
    8(22-9-5-3-6-10-22)30-23-
    13-11-21(12-14-23)20-33-1
    7-7-4-8-18-33/h3,5-6,9-16
    ,19,30,32H,2,4,7-8,17-18,
    20H2,1H3,(H,31,34)/b28-27
    -;
    GLDSKRNGVVYJAB-DQSJHHFOSA-N    		 CCS(=O)(=O)Nc1ccc2c(c1)C(=C(c3ccccc3)Nc4
    ccc(cc4)CN5CCCCC5)C(=O)N2; c\15c(NC(=O)C
    /1=C(\c2ccccc2)Nc3ccc(cc3)CN4CCCCC4)ccc(
    c5)NS(CC)(=O)=O; CC[S](=O)(=O)Nc1ccc2NC(
    =O)C(=C(Nc3ccc(CN4CCCCC4)cc3)c5ccccc5)c2
    c1; CC[S](=O)(=O)Nc1ccc2NC(=O)C(=C(Nc3cc
    c(CN4CCCCC4)cc3)/c5ccccc5)/c2c1; CCS(=O)
    (=O)Nc1ccc2c(c1)/C(=C(\c3ccccc3)/Nc4ccc(
    cc4)CN5CCCCC5)/C(=O)N2    		 N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide
    20647
    FE8    		 0 C33 H46 N8 O5 S InChI=1S/C33H46N8O5S/c34-
    31(45)28-21-47-20-25-10-4
    -2-8-23(25)17-40(16-22-7-
    1-3-9-24(22)19-42)18-30(4
    4)41-14-6-11-26(41)15-29(
    43)38-27(32(46)39-28)12-5
    -13-37-33(35)36/h1-4,7-10
    ,26-28,42H,5-6,11-21H2,(H
    2,34,45)(H,38,43)(H,39,46
    )(H4,35,36,37)/t26-,27+,2
    8+/m0/s1;
    IXLKCOMKHVAIOV-UPRLRBBYSA-N    		 [H]/N=C(/N)\NCCC[C@@H]1C(=O)N[C@H](CSCc2
    ccccc2CN(CC(=O)N3CCC[C@H]3CC(=O)N1)Cc4cc
    ccc4CO)C(=O)N; NC(=N)NCCC[C@H]1NC(=O)C[C
    @@H]2CCCN2C(=O)CN(Cc3ccccc3CO)Cc4ccccc4C
    SC[C@@H](NC1=O)C(N)=O; c1ccc2c(c1)CN(CC(
    =O)N3CCCC3CC(=O)NC(C(=O)NC(CSC2)C(=O)N)C
    CCNC(=N)N)Cc4ccccc4CO; NC(=N)NCCC[CH]1NC
    (=O)C[CH]2CCCN2C(=O)CN(Cc3ccccc3CO)Cc4cc
    ccc4CSC[CH](NC1=O)C(N)=O    		 (10~{S},14~{R},17~{S})-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide
    20648
    FE9    		 15 C21 H23 Fe N6 O13 P S InChI=1S/C19H22N6O10P.2CO
    .Fe.H2O.H2S/c1-7-9(3-4-26
    )22-16(29)8(2)14(7)35-36(
    31,32)33-5-10-12(27)13(28
    )18(34-10)25-6-21-11-15(2
    5)23-19(20)24-17(11)30;2*
    1-2;;;/h6,10,12-13,18,27-
    28H,3,5H2,1-2H3,(H5,20,22
    ,23,24,29,30,31,32);;;;2*
    1H2/q;2*+1;+5;;/p-3/t10-,
    12-,13-,18-;;;;;/m1...../
    s1;
    AEHOAZNVUAGELD-VPXBKTNXSA-K    		 CC1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)
    OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N
    =C(NC5=O)N)O)O)C)(C#[O+])(C#[O+])(O)S; C
    C1=C(O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[
    C@@H]2O)n3cnc4C(=O)NC(=Nc34)N)C(=C5CC(=O
    )[Fe++](O)(S)(C#[O+])(C#[O+])N5C1=O)C; C
    C1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)O
    CC3C(C(C(O3)n4cnc5c4N=C(NC5=O)N)O)O)C)(C
    #[O+])(C#[O+])(O)S; CC1=C(O[P](O)(=O)OC[
    CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=N
    c34)N)C(=C5CC(=O)[Fe++](O)(S)(C#[O+])(C#
    [O+])N5C1=O)C    		 iron-guanylyl pyridinol cofactor
    20649
    FEA    		 5 Fe2 N3 O InChI=1S/2Fe.N3.O/c;;1-3-
    2;/q;+1;-1;;
    GTUZFHRZTDZJHZ-UHFFFAOYSA-N    		 [Fe]O[Fe]N=[N+]=[N-]; [N-]=[N+]=N[Fe]O[F
    e]    		 MONOAZIDO-MU-OXO-DIIRON
    20650
    FEB
    ZINC000058638640    		 28 C27 H51 N5 O7 InChI=1S/C27H51N5O7/c1-4-
    5-6-7-8-9-10-11-20(34)15-
    25(37)31-22(16-24(29)36)2
    7(39)32-21(12-13-23(28)35
    )26(38)30-19(17-33)14-18(
    2)3/h18-22,33-34H,4-17H2,
    1-3H3,(H2,28,35)(H2,29,36
    )(H,30,38)(H,31,37)(H,32,
    39)/t19-,20+,21-,22-/m0/s
    1;
    QHOKNKNDLHIBEV-LRSLUSHPSA-N    		 CCCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(N)=O)
    C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CO)CC(
    C)C; O=C(NC(CC(C)C)CO)C(NC(=O)C(NC(=O)CC
    (O)CCCCCCCCC)CC(=O)N)CCC(=O)N; CCCCCCCCC
    [CH](O)CC(=O)N[CH](CC(N)=O)C(=O)N[CH](CC
    C(N)=O)C(=O)N[CH](CO)CC(C)C; CCCCCCCCCC(
    CC(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)N
    C(CC(C)C)CO)O; CCCCCCCCC[C@H](CC(=O)N[C@
    @H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N
    [C@@H](CC(C)C)CO)O    		 N~2~-[(3R)-3-hydroxydodecanoyl]-L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)-3-methylbutyl]-L-glutamamide;
    Fellutamide B, bound form
    20651
    FEC    		 80 C36 H36 Fe N4 O8 InChI=1S/C36H38N4O8.Fe/c1
    -17-21(5-9-33(41)42)29-14
    -27-19(3)22(6-10-34(43)44
    )30(39-27)15-28-20(4)24(8
    -12-36(47)48)32(40-28)16-
    31-23(7-11-35(45)46)18(2)
    26(38-31)13-25(17)37-29;/
    h13-16H,5-12H2,1-4H3,(H6,
    37,38,39,40,41,42,43,44,4
    5,46,47,48);/q;+4/p-2/b25
    -13-,26-13-,27-14-,28-15-
    ,29-14-,30-15-,31-16-,32-
    16-;;
    FEDZMOFKVKOYTI-RGGAHWMASA-L    		 Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CC
    C(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)CCC(
    =O)O)C)C(=C3C)CCC(=O)O; Cc1c(CCC(O)=O)c2
    C=C3C(=C(C)C4=[N+]3[Fe]56N7C(=CC8=[N+]5C
    (=Cc1n26)C(=C8CCC(O)=O)C)C(=C(CCC(O)=O)C
    7=C4)C)CCC(O)=O; Cc1c2cc3[n+]4c(cc5c(c(c
    6n5[Fe@]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(
    =C8CCC(=O)O)C)CCC(=O)O)C)C(=C3C)CCC(=O)O
    ; O=C(O)CCC1=C(C7=[N+]3C1=Cc5c(c(c6C=C8[
    N+]4=C(C=C2C(=C(C(N2[Fe]34n56)=C7)CCC(=O
    )O)C)C(=C8C)CCC(=O)O)C)CCC(=O)O)C; Cc1c(
    CCC(O)=O)c2C=C3C(=C(C)C4=[N+]3[Fe@]56N7C
    (=CC8=[N+]5C(=Cc1n26)C(=C8CCC(O)=O)C)C(=
    C(CCC(O)=O)C7=C4)C)CCC(O)=O    		 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX;
    FE-COPROPORPHYRIN III
    20652
    FED    		 1 C27 H35 N9 O16 P2 InChI=1S/C27H35N9O16P2/c1
    -10-3-12-13(4-11(10)2)35(
    24-27(44,34-12)25(42)33-2
    6(43)32-24)5-14(37)18(39)
    15(38)6-49-53(45,46)52-54
    (47,48)50-7-16-19(40)20(4
    1)23(51-16)36-9-31-17-21(
    28)29-8-30-22(17)36/h3-4,
    8-9,14-16,18-20,23,34,37-
    41,44H,5-7H2,1-2H3,(H,45,
    46)(H,47,48)(H2,28,29,30)
    (H,33,42,43)/t14-,15+,16+
    ,18-,19+,20+,23+,27+/m0/s
    1;
    WTOYVZYXGAOYIM-QUWWARRSSA-N    		 Cc1cc2N[C]3(O)C(=O)NC(=O)N=C3N(C[CH](O)[
    CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[C
    H]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)
    c2cc1C; Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3
    (N2)O)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(
    C(O4)n5cnc6c5ncnc6N)O)O)O)O)O; O=C2NC(=O
    )N=C3N(c1cc(c(cc1NC23O)C)C)CC(O)C(O)C(O)
    COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45
    )N)C(O)C6O; Cc1cc2N[C@]3(O)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    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aR)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate (non-preferred name)
    20653
    FEE
    CHEMBL231993
    ZINC000049942744    		 3 C39 H77 N O9 InChI=1S/C39H77NO9/c1-3-5
    -7-8-9-10-11-12-13-14-15-
    16-17-18-19-20-21-22-23-2
    4-26-28-34(43)40-31(35(44
    )32(42)27-25-6-4-2)30-48-
    39-38(47)37(46)36(45)33(2
    9-41)49-39/h31-33,35-39,4
    1-42,44-47H,3-30H2,1-2H3,
    (H,40,43)/t31-,32+,33+,35
    -,36-,37-,38+,39-/m0/s1;
    MPKIDHIOYNMFES-CLTBVUQJSA-N    		 CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C
    @@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)
    O)[C@@H]([C@@H](CCCCC)O)O; CCCCCCCCCCCCC
    CCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO
    )[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O
    )CCCCC; CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(C
    OC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCC)O)O; CC
    CCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O
    [CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH]
    (O)CCCCC; O=C(NC(COC1OC(C(O)C(O)C1O)CO)C
    (O)C(O)CCCCC)CCCCCCCCCCCCCCCCCCCCCCC    		 N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyoctyl}tetracosanamide
    20654
    FEF
    DB07766
    ZINC000044681972    		 6 C20 H19 N3 O4 InChI=1S/C20H19N3O4/c24-1
    1-12(25)9-10-27-23-18-14-
    6-2-4-8-16(14)21-19(18)17
    -13-5-1-3-7-15(13)22-20(1
    7)26/h1-8,12,21,24-25H,9-
    11H2,(H,22,26)/b19-17-,23
    -18+/t12-/m1/s1;
    RKUMZEVCWKZXFV-YOCZKUTFSA-N    		 OC[C@H](O)CCO/N=C1/C(Nc2ccccc12)=C3/C(=O
    )Nc4ccccc34; O=C2C(\c1ccccc1N2)=C4\C(=N\
    OCCC(O)CO)\c3ccccc3N4; c1ccc2c(c1)/C(=C/
    3\C(=N\OCC[C@H](CO)O)\c4ccccc4N3)/C(=O)N
    2; c1ccc2c(c1)C(=C3C(=NOCCC(CO)O)c4ccccc
    4N3)C(=O)N2; OC[CH](O)CCON=C1C(Nc2ccccc1
    2)=C3C(=O)Nc4ccccc34    		 (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}
    20655
    FEG
    ZINC000058650286    		 17 C19 H23 N6 O11 P InChI=1S/C19H23N6O11P/c1-
    6-8(3-10(26)27)22-16(30)7
    (2)14(6)36-37(32,33)34-4-
    9-12(28)13(29)18(35-9)25-
    5-21-11-15(25)23-19(20)24
    -17(11)31/h5,9,12-13,18,2
    8-29H,3-4H2,1-2H3,(H,22,3
    0)(H,26,27)(H,32,33)(H3,2
    0,23,24,31)/t9-,12-,13-,1
    8-/m1/s1;
    GTHOTKPHMGEHFD-ACDAHVMNSA-N    		 Cc1c(nc(c(c1O[P@@](=O)(O)OCC2[C@H]([C@H]
    (C(O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)
    O; O=C(O)Cc4nc(O)c(c(OP(=O)(O)OCC3OC(n2c
    nc1c2N=C(N)NC1=O)C(O)C3O)c4C)C; Cc1c(O)n
    c(CC(O)=O)c(C)c1O[P](O)(=O)OC[CH]2O[CH](
    [CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N; Cc1
    c(O)nc(CC(O)=O)c(C)c1O[P@](O)(=O)OC[C@H]
    2O[C@H]([C@H](O)[C@@H]2O)n3cnc4C(=O)NC(=
    Nc34)N; Cc1c(nc(c(c1OP(=O)(O)OCC2C(C(C(O
    2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)O    		 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine
    20656
    FEH
    ZINC000000391853    		 20 C8 H10 O2 InChI=1S/C8H10O2/c9-6-8(1
    0)7-4-2-1-3-5-7/h1-5,8-10
    H,6H2/t8-/m0/s1;
    PWMWNFMRSKOCEY-QMMMGPOBSA-N    		 c1ccc(cc1)C(CO)O; OC(c1ccccc1)CO; OC[C@H
    ](O)c1ccccc1; c1ccc(cc1)[C@H](CO)O; OC[C
    H](O)c1ccccc1    		 (1R)-1-phenylethane-1,2-diol
    20657
    FEI    		 1 C37 H46 N6 O10 S2 InChI=1S/C37H46N6O10S2/c1
    -7-24-23(6)36(46)43-31(24
    )18-29-22(5)27(10-12-35(4
    5)39-14-16-55(51,52)53)33
    (41-29)19-32-26(9-11-34(4
    4)38-13-15-54(48,49)50)21
    (4)28(40-32)17-30-20(3)25
    (8-2)37(47)42-30/h7-8,17-
    18,40-41H,1-2,9-16,19H2,3
    -6H3,(H,38,44)(H,39,45)(H
    ,42,47)(H,43,46)(H,48,49,
    50)(H,51,52,53)/b30-17+,3
    1-18-;
    IVYBPZIDQLNIHQ-NAJGKWLASA-N    		 CC1=C(C=C)C(NC1=O)=Cc2[nH]c(Cc3[nH]c(C=C
    4NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)NCC[S](O)
    (=O)=O)c(CCC(=O)NCC[S](O)(=O)=O)c2C; CC1
    =C(C=C)/C(NC1=O)=C/c2[nH]c(Cc3[nH]c(\C=C
    /4NC(=O)C(=C/4C)C=C)c(C)c3CCC(=O)NCC[S](
    O)(=O)=O)c(CCC(=O)NCC[S](O)(=O)=O)c2C; C
    c1c(c([nH]c1C=C2C(=C(C(=O)N2)C=C)C)Cc3c(
    c(c([nH]3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(=
    O)NCCS(=O)(=O)O)CCC(=O)NCCS(=O)(=O)O; Cc
    1c(c([nH]c1/C=C/2\C(=C(C(=O)N2)C=C)C)Cc3
    c(c(c([nH]3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC
    (=O)NCCS(=O)(=O)O)CCC(=O)NCCS(=O)(=O)O    		 2-[3-[5-[(E)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxidanylidene-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid;
    bilirubin ditaurate
    20658
    FEJ    		 4 C14 H21 N2 O8 P InChI=1S/C14H21N2O8P/c1-7
    (2)12(17)11(14(19)20)16-5
    -10-9(6-24-25(21,22)23)4-
    15-8(3)13(10)18/h4-5,7,11
    -12,17-18H,6H2,1-3H3,(H,1
    9,20)(H2,21,22,23)/b16-5+
    /t11-,12-/m0/s1;
    VDGFQULJGQPRGZ-BGTSGQOBSA-N    		 CC(C)[CH](O)[CH](N=Cc1c(O)c(C)ncc1CO[P](
    O)(O)=O)C(O)=O; OP(O)(=O)OCc1cnc(c(c1[C@
    H]=NC(C(C(C)C)O)C(O)=O)O)C; CC(C)[C@H](O
    )[C@H](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)C(
    O)=O; Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(C(C(
    C)C)O)C(=O)O)O; Cc1c(c(c(cn1)COP(=O)(O)O
    )/C=N/[C@@H]([C@H](C(C)C)O)C(=O)O)O    		 (2S,3S)-3-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic acid (non-preferred name);
    (2S,3S)-isopropylserine
    20659
    FEK    		 1 C7 H11 F O4 InChI=1S/C7H11FO4/c8-5-4(
    10)1-3(2-9)6(11)7(5)12/h1
    ,4-7,9-12H,2H2/t4-,5+,6+,
    7-/m1/s1;
    GCEFMEUYUSFIFI-JRTVQGFMSA-N    		 C1=C([C@@H]([C@@H]([C@H](C1O)F)O)O)CO; C
    1=C(C(C(C(C1O)F)O)O)CO; OCC1=C[CH](O)[CH
    ](F)[CH](O)[CH]1O; OCC1=C[C@@H](O)[C@H](
    F)[C@@H](O)[C@H]1O    		 (1~{S},2~{S},3~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol
    20660
    FEL    		 6 Fe H6 O3 InChI=1S/Fe.3H2O/h;3*1H2/
    q+3;;;;
    MSNWSDPPULHLDL-UHFFFAOYSA-N    		 O.O.O.[Fe+3]; [OH2][Fe+3]([OH2])[OH2] HYDRATED FE
    20661
    FEM    		 2 C16 H17 Fe N O2 InChI=1S/C11H12NO2.C5H5.F
    e/c13-10-5-6-11(14)12(10)
    8-7-9-3-1-2-4-9;1-2-4-5-3
    -1;/h1-4H,5-8H2;1-5H;;
    OWBVXAMOKWDXAV-UHFFFAOYSA-N    		 C1CC(=O)N(C1=O)CCC23=[CH]4[Fe]2567891([C
    H]3=[CH]5C64)[CH]2=[CH]7C8[CH]9=[CH]12;
    O=C1CCC(=O)N1CCC2=C[C@@H]([Fe]C3C=CC=C3)
    C=C2; C1CC(=O)N(C1=O)CCC23=[CH]4[Fe]2567
    891([C@H]4[CH]5=[CH]63)[CH]2=[CH]7C8[CH]
    9=[CH]12; O=C1CCC(=O)N1CCC2=C[CH]([Fe]C3
    C=CC=C3)C=C2    		 N-(2-FERROCENYLETHYL)MALEIMIDE
    20662
    FEN
    CHEMBL7301
    DB05076
    ZINC000003871023    		 1 C26 H33 N O2 InChI=1S/C26H33NO2/c1-19(
    11-16-24-21(3)10-7-17-26(
    24,4)5)8-6-9-20(2)18-25(2
    9)27-22-12-14-23(28)15-13
    -22/h6,8-9,11-16,18,28H,7
    ,10,17H2,1-5H3,(H,27,29)/
    b9-6+,16-11+,19-8+,20-18+;
    AKJHMTWEGVYYSE-FXILSDISSA-N    		 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)Nc2
    ccc(cc2)O)C)C; CC1=C(\C=C\C(C)=C\C=C\C(C
    )=C\C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1; CC1=C
    (C=CC(C)=CC=CC(C)=CC(=O)Nc2ccc(O)cc2)C(C
    )(C)CCC1; O=C(Nc1ccc(O)cc1)\C=C(\C=C\C=C
    (\C=C\C2=C(CCCC2(C)C)C)C)C; CC1=C(C(CCC1
    )(C)C)\C=C\C(=C\C=C\C(=C\C(=O)Nc2ccc(cc2
    )O)\C)\C    		 N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE
    20663
    FEO    		 163 Fe2 O InChI=1S/2Fe.O;
    NPMYUMBHPJGBFA-UHFFFAOYSA-N    		 [Fe]O[Fe]; O([Fe])[Fe] MU-OXO-DIIRON
    20664
    FEP
    CHEMBL1161222
    DB04204
    ZINC000002043451    		 1 C18 H20 F4 O6 P2 InChI=1S/C18H20F4O6P2/c19
    -17(20,29(23,24)25)15-9-5
    -13(6-10-15)3-1-2-4-14-7-
    11-16(12-8-14)18(21,22)30
    (26,27)28/h5-12H,1-4H2,(H
    2,23,24,25)(H2,26,27,28);
    SRHSAABKYJDBDV-UHFFFAOYSA-N    		 FC(F)(c1ccc(cc1)CCCCc2ccc(cc2)C(F)(F)P(=
    O)(O)O)P(=O)(O)O; O[P](O)(=O)C(F)(F)c1cc
    c(CCCCc2ccc(cc2)C(F)(F)[P](O)(O)=O)cc1;
    c1cc(ccc1CCCCc2ccc(cc2)C(F)(F)P(=O)(O)O)
    C(F)(F)P(=O)(O)O    		 [(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-BUTYL}-PHENYL)-DIFLUORO-METHYL]-PHOSPHONIC ACID
    20665
    FEQ    		 1 C13 H13 F N2 O8 InChI=1S/C13H13FN2O8/c14-
    11-10(3-6(5-17)12(18)13(1
    1)19)24-9-2-1-7(15(20)21)
    4-8(9)16(22)23/h1-4,10-13
    ,17-19H,5H2/t10-,11-,12-,
    13+/m0/s1;
    WVAYSDIDYBKDLD-ZDEQEGDKSA-N    		 c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])OC2C
    =C(C(C(C2F)O)O)CO; OCC1=C[C@H](Oc2ccc(cc
    2[N+]([O-])=O)[N+]([O-])=O)[C@H](F)[C@@H
    ](O)[C@H]1O; OCC1=C[CH](Oc2ccc(cc2[N+]([
    O-])=O)[N+]([O-])=O)[CH](F)[CH](O)[CH]1O
    ; c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[
    C@H]2C=C([C@@H]([C@@H]([C@H]2F)O)O)CO    		 (1~{S},2~{S},5~{S},6~{R})-5-(2,4-dinitrophenoxy)-6-fluoranyl-3-(hydroxymethyl)cyclohex-3-ene-1,2-diol
    20666
    FER
    CHEMBL32749
    DB07767
    ZINC000000058258    		 47 C10 H10 O4 InChI=1S/C10H10O4/c1-14-9
    -6-7(2-4-8(9)11)3-5-10(12
    )13/h2-6,11H,1H3,(H,12,13
    )/b5-3+;
    KSEBMYQBYZTDHS-HWKANZROSA-N    		 COc1cc(ccc1O)\C=C\C(=O)O; COc1cc(ccc1O)C
    =CC(=O)O; COc1cc(\C=C\C(O)=O)ccc1O; O=C(
    O)\C=C\c1cc(OC)c(O)cc1; COc1cc(C=CC(O)=O
    )ccc1O    		 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID;
    FERULIC ACID
    20667
    FES    		 3150 Fe2 S2 InChI=1S/2Fe.2S;
    NIXDOXVAJZFRNF-UHFFFAOYSA-N    		 [Fe]1S[Fe]S1; S1[Fe]S[Fe]1 FE2/S2 (INORGANIC) CLUSTER
    20668
    FEU    		 1 C14 H11 Cl F3 N5 O InChI=1S/C14H11ClF3N5O/c1
    -24-10-4-8(14(16,17)18)3-
    2-7(10)6-23-12-9(5-20-23)
    11(15)21-13(19)22-12/h2-5
    H,6H2,1H3,(H2,19,21,22);
    CRNFGOLKBZYMGM-UHFFFAOYSA-N    		 COc1cc(ccc1Cn2ncc3c(Cl)nc(N)nc23)C(F)(F)
    F; COc1cc(ccc1Cn2c3c(cn2)c(nc(n3)N)Cl)C(
    F)(F)F    		 4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine
    20669
    FEV    		 2 C13 H17 N2 O7 P InChI=1S/C13H17N2O7P/c1-3
    -4-11(13(17)18)15-6-10-9(
    7-22-23(19,20)21)5-14-8(2
    )12(10)16/h4-6,16H,3,7H2,
    1-2H3,(H,17,18)(H2,19,20,
    21)/b11-4+,15-6+;
    GKBVRDDWDGNBFQ-VVUJNEFVSA-N    		 OP(O)(=O)OCc1cnc(c(c1[C@H]=N\C(=C\CC)C(O
    )=O)O)C; CCC=C(C(=O)O)N=Cc1c(cnc(c1O)C)C
    OP(=O)(O)O; CCC=C(N=Cc1c(O)c(C)ncc1CO[P]
    (O)(O)=O)C(O)=O; CC/C=C(/N=Cc1c(O)c(C)nc
    c1CO[P](O)(O)=O)C(O)=O; CC/C=C(\C(=O)O)/
    N=C/c1c(cnc(c1O)C)COP(=O)(O)O    		 (2E)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid
    20670
    FEW
    CHEMBL4168305    		 2 C31 H31 F3 N6 O InChI=1S/C31H31F3N6O/c1-2
    1(2)28-7-5-24(16-23(28)4-
    6-27-18-36-29-19-35-8-9-4
    0(27)29)30(41)37-26-15-22
    (14-25(17-26)31(32,33)34)
    20-39-12-10-38(3)11-13-39
    /h5,7-9,14-19,21H,10-13,2
    0H2,1-3H3,(H,37,41);
    IUGBGEUCXVKGQK-UHFFFAOYSA-N    		 CC(C)c1ccc(cc1C#Cc2cnc3n2ccnc3)C(=O)Nc4c
    c(cc(c4)C(F)(F)F)CN5CCN(CC5)C; CC(C)c1cc
    c(cc1C#Cc2cnc3cnccn23)C(=O)Nc4cc(CN5CCN(
    C)CC5)cc(c4)C(F)(F)F    		 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide
    20671
    FEX
    ZINC000038377607    		 1 C32 H38 N2 O3 InChI=1S/C32H38N2O3/c1-33
    (2)29-19-17-27(18-20-29)2
    6-15-12-25(13-16-26)23-34
    (32(36)28-9-5-4-6-10-28)3
    0-11-7-8-24(22-30)14-21-3
    1(35)37-3/h7-8,11-13,15-2
    0,22,28H,4-6,9-10,14,21,2
    3H2,1-3H3;
    GXGGBYHHVMOCJL-UHFFFAOYSA-N    		 CN(C)c1ccc(cc1)c2ccc(cc2)CN(c3cccc(c3)CC
    C(=O)OC)C(=O)C4CCCCC4; O=C(N(c1cccc(c1)C
    CC(=O)OC)Cc3ccc(c2ccc(N(C)C)cc2)cc3)C4CC
    CCC4; COC(=O)CCc1cccc(c1)N(Cc2ccc(cc2)c3
    ccc(cc3)N(C)C)C(=O)C4CCCCC4    		 METHYL 3-{3-[(CYCLOHEXYLCARBONYL){[4'-(DIMETHYLAMINO)BIPHENYL-4-YL]METHYL}AMINO]PHENYL}ACRYLATE;
    FEXARAMINE
    20672
    FEY    		 3 C30 H44 N4 O9 S InChI=1S/C30H44N4O9S/c1-1
    9(2)14-23(27(37)32-24(28(
    38)44(40,41)42)16-21-8-11
    -31-26(21)36)33-29(39)43-
    22-17-30(18-22)9-12-34(13
    -10-30)25(35)15-20-6-4-3-
    5-7-20/h3-7,19,21-24,28,3
    8H,8-18H2,1-2H3,(H,31,36)
    (H,32,37)(H,33,39)(H,40,4
    1,42)/t21-,23-,24-,28+/m0
    /s1;
    YKVWDIALSLITCN-YZIKFRCASA-N    		 CC(C)C[C@H](NC(=O)OC1CC2(CCN(CC2)C(=O)Cc
    3ccccc3)C1)C(=O)N[C@@H](C[C@@H]4CCNC4=O)
    [C@H](O)[S](O)(=O)=O; O=C1NCCC1CC(NC(=O)
    C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)Cc2cc
    ccc2)C1)C(O)S(=O)(=O)O; CC(C)CC(C(=O)NC(
    CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C
    2)CCN(CC3)C(=O)Cc4ccccc4; CC(C)C[CH](NC(
    =O)OC1CC2(CCN(CC2)C(=O)Cc3ccccc3)C1)C(=O
    )N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=O
    ; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC
    1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)
    CCN(CC3)C(=O)Cc4ccccc4    		 (1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    20673
    FEZ    		 3 C22 H30 O4 InChI=1S/C22H30O4/c1-15(2
    )19-11-13-22(4,25)12-5-6-
    16(3)14-20(19)26-21(24)17
    -7-9-18(23)10-8-17/h6-11,
    13,15,19-20,23,25H,5,12,1
    4H2,1-4H3/b13-11-,16-6-/t
    19-,20+,22+/m1/s1;
    AVRRAMZPNSQDIW-TUNDKXTFSA-N    		 CC1=CCCC(C=CC(C(C1)OC(=O)c2ccc(cc2)O)C(C
    )C)(C)O; CC(C)[CH]1C=C[C](C)(O)CCC=C(C)C
    [CH]1OC(=O)c2ccc(O)cc2; CC(C)[C@H]1\C=C/
    [C@@](C)(O)CC\C=C(C)/C[C@@H]1OC(=O)c2ccc
    (O)cc2; C1CC=C(C)CC(C(C=CC1(C)O)C(C)C)OC
    (=O)c2ccc(O)cc2; C/C/1=C/CC[C@](/C=C\[C@
    @H]([C@H](C1)OC(=O)c2ccc(cc2)O)C(C)C)(C)
    O    		 (1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate;
    FEROLINE
    20674
    FF0
    ZINC000098208882    		 0 C19 H26 N2 O InChI=1S/C19H26N2O/c20-18
    (14-17-10-5-2-6-11-17)19(
    22)15-21-13-7-12-16-8-3-1
    -4-9-16/h1-6,8-11,18-19,2
    1-22H,7,12-15,20H2/t18-,1
    9+/m0/s1;
    NRTSLRUGZPIIHM-RBUKOAKNSA-N    		 OC(C(N)Cc1ccccc1)CNCCCc2ccccc2; c1ccc(cc
    1)CCCNC[C@H]([C@H](Cc2ccccc2)N)O; N[C@@H
    ](Cc1ccccc1)[C@H](O)CNCCCc2ccccc2; N[CH]
    (Cc1ccccc1)[CH](O)CNCCCc2ccccc2; c1ccc(c
    c1)CCCNCC(C(Cc2ccccc2)N)O    		 (2R,3S)-3-amino-4-phenyl-1-[(3-phenylpropyl)amino]butan-2-ol
    20675
    FF1
    ZINC000584905581    		 1 C30 H29 F N6 O3 InChI=1S/C30H29FN6O3/c1-1
    6-5-4-6-17(2)22(16)11-12-
    32-28(38)23-14-19(7-9-24(
    23)31)27-26(18(3)34-30(40
    )36-27)29(39)35-21-8-10-2
    5-20(13-21)15-33-37-25/h4
    -10,13-15,27H,11-12H2,1-3
    H3,(H,32,38)(H,33,37)(H,3
    5,39)(H2,34,36,40)/t27-/m
    0/s1;
    QTCMCOOGSCOKGD-MHZLTWQESA-N    		 CC1=C([C@@H](NC(=O)N1)c2ccc(F)c(c2)C(=O)
    NCCc3c(C)cccc3C)C(=O)Nc4ccc5[nH]ncc5c4;
    Cc1cccc(c1CCNC(=O)c2cc(ccc2F)C3C(=C(NC(=
    O)N3)C)C(=O)Nc4ccc5c(c4)cn[nH]5)C; Cc1cc
    cc(c1CCNC(=O)c2cc(ccc2F)[C@H]3C(=C(NC(=O
    )N3)C)C(=O)Nc4ccc5c(c4)cn[nH]5)C; CC1=C(
    [CH](NC(=O)N1)c2ccc(F)c(c2)C(=O)NCCc3c(C
    )cccc3C)C(=O)Nc4ccc5[nH]ncc5c4    		 (4~{S})-4-[3-[2-(2,6-dimethylphenyl)ethylcarbamoyl]-4-fluoranyl-phenyl]-~{N}-(1~{H}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide
    20676
    FF2
    CHEMBL2403448
    ZINC000096924290    		 8 C9 H6 Cl N O2 S InChI=1S/C9H6ClNO2S/c10-6
    -2-1-3-7-5(6)4-8(14-7)9(1
    2)11-13/h1-4,13H,(H,11,12
    );
    IHGVZTXLHUWVIA-UHFFFAOYSA-N    		 c1cc2c(cc(s2)C(=O)NO)c(c1)Cl; ONC(=O)c1s
    c2cccc(Cl)c2c1    		 4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide
    20677
    FF3
    CHEMBL258256    		 1 C3 H4 F2 N4 O2 S2 InChI=1S/C3H4F2N4O2S2/c4-
    3(5,13(7,10)11)1-8-9-2(6)
    12-1/h(H2,6,9)(H2,7,10,11
    );
    XGFIHSGMBUMCQS-UHFFFAOYSA-N    		 O=S(=O)(N)C(F)(F)c1nnc(s1)N; Nc1sc(nn1)C
    (F)(F)[S](N)(=O)=O; c1(nnc(s1)N)C(F)(F)S
    (=O)(=O)N    		 1-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1,1-DIFLUOROMETHANESULFONAMIDE
    20678
    FF4    		 1 C10 H17 F N3 O12 P3 InChI=1S/C10H17FN3O12P3/c
    11-9(27(17,18)19)28(20,21
    )26-29(22,23)24-4-6-5(15)
    3-8(25-6)14-2-1-7(12)13-1
    0(14)16/h1-2,5-6,8-9,15H,
    3-4H2,(H,20,21)(H,22,23)(
    H2,12,13,16)(H2,17,18,19)
    /t5-,6+,8+,9-/m0/s1;
    CDDSHZIEMFLZDN-LWIVVEGESA-N    		 NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](C
    O[P](O)(=O)O[P](O)(=O)[C@@H](F)[P](O)(O)
    =O)O2; C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)C
    OP(=O)(O)OP(O)(C(F)P(O)(O)=O)=O; NC1=NC(
    =O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)
    O[P](O)(=O)[CH](F)[P](O)(O)=O)O2; C1[C@@
    H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(
    O)OP(=O)([C@@H](F)P(=O)(O)O)O)O; C1C(C(O
    C1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(F)P
    (=O)(O)O)O)O    		 2'-deoxy-5'-O-[(R)-{[(R)-[(S)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
    20679
    FF5    		 1 C19 H24 N4 O5 S InChI=1S/C19H24N4O5S/c1-1
    4(24)21-12-2-3-13-28-17-8
    -4-15(5-9-17)22-19(25)23-
    16-6-10-18(11-7-16)29(20,
    26)27/h4-11H,2-3,12-13H2,
    1H3,(H,21,24)(H2,20,26,27
    )(H2,22,23,25);
    CDBPPECJGAINPA-UHFFFAOYSA-N    		 CC(=O)NCCCCOc1ccc(NC(=O)Nc2ccc(cc2)[S](N
    )(=O)=O)cc1; CC(=O)NCCCCOc1ccc(cc1)NC(=O
    )Nc2ccc(cc2)S(=O)(=O)N    		 ~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide
    20680
    FF7    		 1 C10 H17 Cl N3 O12 P3 InChI=1S/C10H17ClN3O12P3/
    c11-9(27(17,18)19)28(20,2
    1)26-29(22,23)24-4-6-5(15
    )3-8(25-6)14-2-1-7(12)13-
    10(14)16/h1-2,5-6,8-9,15H
    ,3-4H2,(H,20,21)(H,22,23)
    (H2,12,13,16)(H2,17,18,19
    )/t5-,6+,8+,9+/m0/s1;
    DDLGFLMLTFUPNR-HIORRCEOSA-N    		 NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P]
    (O)(=O)O[P](O)(=O)[CH](Cl)[P](O)(O)=O)O2
    ; C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)
    COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O
    ; C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O
    )(O)OP(O)(C(P(O)(O)=O)Cl)=O; C1C(C(OC1N2
    C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O
    )O)Cl)O)O; NC1=NC(=O)N(C=C1)[C@H]2C[C@H]
    (O)[C@@H](CO[P](O)(=O)O[P](O)(=O)[C@H](C
    l)[P](O)(O)=O)O2    		 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine
    20681
    FF8
    CHEMBL3774784
    ZINC000143640251    		 1 C22 H26 F N O4 InChI=1S/C22H26FNO4/c1-3-
    4-5-6-12-24-22(27)28-18-9
    -7-8-17(13-18)19-11-10-16
    (14-20(19)23)15(2)21(25)2
    6/h7-11,13-15H,3-6,12H2,1
    -2H3,(H,24,27)(H,25,26)/t
    15-/m0/s1;
    USQOVYLRWBOSQC-HNNXBMFYSA-N    		 CCCCCCNC(=O)Oc1cccc(c1)c2ccc(cc2F)[CH](C
    )C(O)=O; CCCCCCNC(=O)Oc1cccc(c1)c2ccc(cc
    2F)[C@H](C)C(O)=O; CCCCCCNC(=O)Oc1cccc(c
    1)c2ccc(cc2F)[C@H](C)C(=O)O; CCCCCCNC(=O
    )Oc1cccc(c1)c2ccc(cc2F)C(C)C(=O)O; c1(c(
    ccc(c1)C(C(O)=O)C)c2cc(ccc2)OC(=O)NCCCCC
    C)F    		 (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid
    20682
    FF9    		 0 C10 H18 N2 O4 InChI=1S/C10H18N2O4/c1-2-
    8(10(15)16)12-6-4-3-5-7(1
    1)9(13)14/h7H,2-6,11H2,1H
    3,(H,13,14)(H,15,16)/b12-
    8+/t7-/m0/s1;
    CWKRAMLJAYWANT-ZMMCGQQISA-N    		 CCC(=NCCCCC(C(=O)O)N)C(=O)O; CC/C(=N\CCC
    C[C@@H](C(=O)O)N)/C(=O)O; CCC(=NCCCC[CH]
    (N)C(O)=O)C(O)=O; CCC(=NCCCC[C@H](N)C(O)
    =O)C(O)=O    		 (2S)-2-azanyl-6-[(E)-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid
    20683
    FFA
    CHEMBL196228
    DB07768
    ZINC000004538008    		 6 C19 H28 O2 InChI=1S/C19H28O2/c1-18-9
    -7-13(20)11-12(18)3-4-14-
    15-5-6-17(21)19(15,2)10-8
    -16(14)18/h11,14-17,21H,3
    -10H2,1-2H3/t14-,15-,16-,
    17+,18-,19-/m0/s1;
    MUMGGOZAMZWBJJ-KZYORJDKSA-N    		 CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C; C[C
    ]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1
    CC[CH]2O; O=C4C=C3C(C2CCC1(C(CCC1O)C2CC3
    )C)(C)CC4; C[C@]12CC[C@H]3[C@H]([C@@H]1C
    C[C@H]2O)CCC4=CC(=O)CC[C@]34C; C[C@]12CC
    [C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]
    1CC[C@H]2O    		 (10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE;
    EPI-TESTOSTERONE
    20684
    FFB
    DB02610    		 3 C14 H9 F5 N2 O3 S InChI=1S/C14H9F5N2O3S/c15
    -9-8(10(16)12(18)13(19)11
    (9)17)5-21-14(22)6-1-3-7(
    4-2-6)25(20,23)24/h1-4H,5
    H2,(H,21,22)(H2,20,23,24);
    LRKSHOLYETXPGY-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S(
    =O)(=O)N; N[S](=O)(=O)c1ccc(cc1)C(=O)NCc
    2c(F)c(F)c(F)c(F)c2F; c1cc(ccc1C(=O)NCc2
    c(c(c(c(c2F)F)F)F)F)S(N)(=O)=O    		 N-(2,3,4,5,6-PENTAFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE
    20685
    FFC    		 0 C12 H21 F O10 InChI=1S/C12H21FO10/c13-5
    -7(17)10(4(2-15)21-11(5)2
    0)23-12-9(19)8(18)6(16)3(
    1-14)22-12/h3-12,14-20H,1
    -2H2/t3-,4-,5-,6-,7-,8+,9
    -,10-,11+,12+/m1/s1;
    CHZBROHNUFSPPZ-FINXQLPQSA-N    		 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)F)O)C
    O)O)O)O)O; OC[CH]1O[CH](O[CH]2[CH](O)[CH
    ](F)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O
    ; OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](
    F)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[
    C@@H]1O; FC2C(O)C(OC1OC(C(O)C(O)C1O)CO)C
    (OC2O)CO; C(C1C(C(C(C(O1)OC2C(OC(C(C2O)F
    )O)CO)O)O)O)O    		 2-DEOXY-2-FLUORO-B-D-CELLOBIOSIDE
    20686
    FFD
    ZINC000058633183    		 0 C11 H14 F O6 P InChI=1S/C11H14FO6P/c12-8
    -3-1-2-7(4-8)10-5-9(13)11
    (18-10)6-17-19(14,15)16/h
    1-4,9-11,13H,5-6H2,(H2,14
    ,15,16)/t9-,10+,11+/m0/s1;
    IUYVDQFSAYHTRM-HBNTYKKESA-N    		 c1cc(cc(c1)F)[C@H]2C[C@@H]([C@H](O2)COP(
    =O)(O)O)O; c1cc(cc(c1)F)C2CC(C(O2)COP(=O
    )(O)O)O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)
    (O)=O)c2cccc(F)c2; O=P(OCC2OC(c1cccc(F)c
    1)CC2O)(O)O; O[CH]1C[CH](O[CH]1CO[P](O)(
    O)=O)c2cccc(F)c2    		 (1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-5-O-phosphono-D-erythro-pentitol
    20687
    FFE    		 0 Fe3 H11 O13 InChI=1S/3Fe.11H2O.2O/h;;
    ;11*1H2;;/q+2;+4;+5;;;;;;
    ;;;;;;;/p-11;
    WDCOXZGBZIBJBW-UHFFFAOYSA-C    		 O[Fe](O)(O[Fe](O)(O)(O)O)O[Fe](O)(O)(O)(
    O)O; O[Fe@](O)(O[Fe](O)(O)(O)O)O[Fe](O)(
    O)(O)(O)O    		 [bis(oxidanyl)-[tetrakis(oxidanyl)ferriooxy]ferrio]oxy-pentakis(oxidanyl)iron
    20688
    FFF
    DB02808
    ZINC000002047050    		 1 C15 H25 F3 O7 P2 InChI=1S/C15H25F3O7P2/c1-
    12(2)6-4-7-13(3)8-5-9-14(
    15(16,17)18)10-11-24-27(2
    2,23)25-26(19,20)21/h6,8,
    10H,4-5,7,9,11H2,1-3H3,(H
    ,22,23)(H2,19,20,21)/b13-
    8+,14-10-;
    PXLMLAFPAPGGKK-GVCYOOEQSA-N    		 CC(C)=CCCC(C)=CCCC(=CCO[P](O)(=O)O[P](O)
    (O)=O)C(F)(F)F; CC(C)=CCC/C(C)=C/CC/C(=C
    /CO[P@@](O)(=O)O[P](O)(O)=O)C(F)(F)F; CC
    (=CCC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O
    )O)/C(F)(F)F)/C)C; CC(=CCCC(=CCCC(=CCOP(
    =O)(O)OP(=O)(O)O)C(F)(F)F)C)C; FC(F)(F)/
    C(=C\COP(=O)(OP(=O)(O)O)O)CC\C=C(/C)CC\C
    =C(/C)C    		 TRIFLUOROFURNESYL DIPHOSPHATE
    20689
    FFG
    CHEMBL577677
    ZINC000049709720    		 1 C32 H28 F3 N7 O3 InChI=1S/C32H28F3N7O3/c33
    -32(34,35)28-26-13-15-41(
    30(44)27(26)42(39-28)23-6
    -3-5-20(16-23)29-36-31(45
    )38-37-29)22-10-8-19(9-11
    -22)25-7-2-1-4-21(25)17-4
    0-14-12-24(43)18-40/h1-11
    ,16,24,43H,12-15,17-18H2,
    (H2,36,37,38,45)/t24-/m1/
    s1;
    YBWAYLVOTDFQQI-XMMPIXPASA-N    		 c1ccc(c(c1)C[N@@]2CC[C@H](C2)O)c3ccc(cc3
    )N4CCc5c(n(nc5C(F)(F)F)c6cccc(c6)C7=NNC(
    =O)N7)C4=O; O[C@@H]1CCN(C1)Cc2ccccc2c3cc
    c(cc3)N4CCc5c(nn(c6cccc(c6)C7=NNC(=O)N7)
    c5C4=O)C(F)(F)F; O[CH]1CCN(C1)Cc2ccccc2c
    3ccc(cc3)N4CCc5c(nn(c6cccc(c6)C7=NNC(=O)
    N7)c5C4=O)C(F)(F)F; c1ccc(c(c1)CN2CCC(C2
    )O)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6ccc
    c(c6)C7=NNC(=O)N7)C4=O; O=C1NC(=NN1)c2cc
    (ccc2)n7nc(c6c7C(=O)N(c5ccc(c3ccccc3CN4C
    CC(O)C4)cc5)CC6)C(F)(F)F    		 (R)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one;
    6-(2'-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-1-[3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one
    20690
    FFH    		 2 C29 H45 N5 O10 S InChI=1S/C29H45N5O10S/c30
    -23-43-22-21-42-20-19-41-
    18-17-40-16-15-39-14-11-2
    8(35)32-12-1-2-13-44-26-7
    -3-24(4-8-26)33-29(36)34-
    25-5-9-27(10-6-25)45(31,3
    7)38/h3-10H,1-2,11-23,30H
    2,(H,32,35)(H2,31,37,38)(
    H2,33,34,36);
    UDWQBPJNUHSQMR-UHFFFAOYSA-N    		 c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)OCC
    CCNC(=O)CCOCCOCCOCCOCCOCN; NCOCCOCCOCCOC
    COCCC(=O)NCCCCOc1ccc(NC(=O)Nc2ccc(cc2)[S
    ](N)(=O)=O)cc1    		 3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide
    20691
    FFI    		 4 C43 H78 N7 O17 P3 S InChI=1S/C43H78N7O17P3S/c
    1-4-5-6-7-8-9-10-11-12-13
    -14-15-16-17-18-19-20-21-
    22-23-34(52)71-27-26-45-3
    3(51)24-25-46-41(55)38(54
    )43(2,3)29-64-70(61,62)67
    -69(59,60)63-28-32-37(66-
    68(56,57)58)36(53)42(65-3
    2)50-31-49-35-39(44)47-30
    -48-40(35)50/h30-32,36-38
    ,42,53-54H,4-29H2,1-3H3,(
    H,45,51)(H,46,55)(H,59,60
    )(H,61,62)(H2,44,47,48)(H
    2,56,57,58)/t32-,36-,37-,
    38+,42-/m1/s1;
    NDDZLVOCGALPLR-GNSUAQHMSA-N    		 CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(
    =O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C
    (O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCCCC
    CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C
    @H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C
    @H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n
    2cnc3c(N)ncnc23; CCCCCCCCCCCCCCCCCCCCCC(
    =O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O
    )(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H]
    (O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCCCC
    CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C
    H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH
    ]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c
    (N)ncnc23    		 S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] docosanethioate;
    Behenoyl-CoA;
    Docosanoyl-CoA
    20692
    FFJ    		 1 C10 H16 F2 N3 O12 P3 InChI=1S/C10H16F2N3O12P3/
    c11-10(12,28(18,19)20)29(
    21,22)27-30(23,24)25-4-6-
    5(16)3-8(26-6)15-2-1-7(13
    )14-9(15)17/h1-2,5-6,8,16
    H,3-4H2,(H,21,22)(H,23,24
    )(H2,13,14,17)(H2,18,19,2
    0)/t5-,6+,8+/m0/s1;
    FBLKJJQPZBDPCI-SHYZEUOFSA-N    		 C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O
    )(C(F)(F)P(=O)(O)O)O)O; C=1(N)C=CN(C(N=1
    )=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(F)(P(=
    O)(O)O)F)=O; C1[C@@H]([C@H](O[C@H]1N2C=C
    C(=NC2=O)N)COP(=O)(O)OP(=O)(C(F)(F)P(=O)
    (O)O)O)O; NC1=NC(=O)N(C=C1)[C@H]2C[C@H](
    O)[C@@H](CO[P](O)(=O)O[P](O)(=O)C(F)(F)[
    P](O)(O)=O)O2; NC1=NC(=O)N(C=C1)[CH]2C[C
    H](O)[CH](CO[P](O)(=O)O[P](O)(=O)C(F)(F)
    [P](O)(O)=O)O2    		 2'-deoxy-5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
    20693
    FFK    		 1 C28 H49 N O12 P2 InChI=1S/C28H49NO12P2/c1-
    19(2)10-7-11-20(3)12-8-13
    -21(4)14-9-15-22(5)16-17-
    38-42(34,35)41-43(36,37)4
    0-28-25(29-23(6)31)27(33)
    26(32)24(18-30)39-28/h10,
    12,14,16,24-28,30,32-33H,
    7-9,11,13,15,17-18H2,1-6H
    3,(H,29,31)(H,34,35)(H,36
    ,37)/b20-12-,21-14-,22-16
    -/t24-,25-,26-,27-,28-/m1
    /s1;
    MCKZOQNLWLVDRX-ADLZVGHSSA-N    		 CC(C)=CCCC(\C)=C/CC\C(C)=C/CCC(\C)=C/CO[
    P](O)(=O)O[P](O)(=O)O[C@H]1O[C@H](CO)[C@
    @H](O)[C@H](O)[C@H]1NC(C)=O; CC(=CCC/C(=
    C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C
    @@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O
    )NC(=O)C)/C)/C)/C)C; CC(C)=CCCC(C)=CCCC(
    C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(=O)O[CH]
    1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O; CC
    (=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)
    OC1C(C(C(C(O1)CO)O)O)NC(=O)C)C)C)C)C
    20694
    FFL    		 0 C6 H11 F2 N O2 InChI=1S/C6H11F2NO2/c7-2-
    4(3-8)1-5(9)6(10)11/h4-5H
    ,1-3,9H2,(H,10,11)/t5-/m0
    /s1;
    UFUPPGKUXMRROI-YFKPBYRVSA-N    		 C([C@@H](C(=O)O)N)C(CF)CF; N[C@@H](CC(CF
    )CF)C(O)=O; N[CH](CC(CF)CF)C(O)=O; C(C(C
    F)CF)C(C(=O)O)N    		 5,5'-difluoroleucines;
    (2S)-2-azanyl-5-fluoranyl-4-(fluoranylmethyl)pentanoic acid
    20695
    FFM
    ZINC000058633186    		 0 C6 H14 N O6 P S InChI=1S/C6H14NO6PS/c1-3(
    6(10)14(11,12)13)15-2-4(7
    )5(8)9/h3-4,6,10H,2,7H2,1
    H3,(H,8,9)(H2,11,12,13)/t
    3-,4+,6-/m1/s1;
    VNLJGMRDCGQBGN-ALEPSDHESA-N    		 C[C@H]([C@H](O)P(=O)(O)O)SC[C@@H](C(=O)O
    )N; C[CH](SC[CH](N)C(O)=O)[CH](O)[P](O)(
    O)=O; CC(C(O)P(=O)(O)O)SCC(C(=O)O)N; C[C
    @@H](SC[C@H](N)C(O)=O)[C@H](O)[P](O)(O)=
    O    		 S-[(1R,2R)-2-hydroxy-1-methyl-2-phosphonoethyl]-L-cysteine
    20696
    FFN
    ZINC000020345596    		 6 C13 H9 F N2 O S InChI=1S/C13H9FN2OS/c1-7-
    15-12(17)11-10(6-18-13(11
    )16-7)8-2-4-9(14)5-3-8/h2
    -6H,1H3,(H,15,16,17);
    PEYKEBUFADUZJK-UHFFFAOYSA-N    		 CC1=Nc2scc(c3ccc(F)cc3)c2C(=O)N1; CC1=Nc
    2c(c(cs2)c3ccc(cc3)F)C(=O)N1    		 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one
    20697
    FFO
    CHEMBL1908841
    DB11596
    ZINC000009212427    		 86 C20 H23 N7 O7 InChI=1S/C20H23N7O7/c21-2
    0-25-16-15(18(32)26-20)27
    (9-28)12(8-23-16)7-22-11-
    3-1-10(2-4-11)17(31)24-13
    (19(33)34)5-6-14(29)30/h1
    -4,9,12-13,22H,5-8H2,(H,2
    4,31)(H,29,30)(H,33,34)(H
    4,21,23,25,26,32)/t12-,13
    -/m0/s1;
    VVIAGPKUTFNRDU-STQMWFEESA-N    		 NC1=NC2=C(N(C=O)[CH](CNc3ccc(cc3)C(=O)N[
    CH](CCC(O)=O)C(O)=O)CN2)C(=O)N1; c1cc(cc
    c1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C
    =O)C(=O)NC(=N3)N; O=C(O)C(NC(=O)c1ccc(cc
    1)NCC2N(C=O)C=3C(=O)NC(=NC=3NC2)N)CCC(=O
    )O; NC1=NC2=C(N(C=O)[C@@H](CNc3ccc(cc3)C
    (=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1    		 N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid;
    [6S]-5-FORMYL-TETRAHYDROFOLATE;
    6S-FOLINIC ACID
    20698
    FFP
    CHEMBL1232721
    ZINC000000388530    		 3 C6 H4 F2 O InChI=1S/C6H4F2O/c7-4-2-1
    -3-5(8)6(4)9/h1-3,9H;
    CKKOVFGIBXCEIJ-UHFFFAOYSA-N    		 Fc1cccc(F)c1O; c1cc(c(c(c1)F)O)F; Oc1c(F
    )cccc1F    		 2,6-DIFLUOROPHENOL
    20699
    FFQ    		 18 C3 H9 O4 P InChI=1S/C3H9O4P/c1-2-3(4
    )8(5,6)7/h3-4H,2H2,1H3,(H
    2,5,6,7)/t3-/m1/s1;
    MVIJUJBSAAUHEM-GSVOUGTGSA-N    		 CCC(O)P(=O)(O)O; O=P(O)(O)C(O)CC; CC[C@H
    ](O)P(=O)(O)O; CC[CH](O)[P](O)(O)=O; CC[
    C@H](O)[P](O)(O)=O    		 [(1R)-1-hydroxypropyl]phosphonic acid;
    Fosfomycin, bound form
    20700
    FFR    		 1 C30 H27 F N6 O4 InChI=1S/C30H27FN6O4/c31-
    23-14-19(15-32)4-5-21(23)
    18-41-28-3-1-2-24(34-28)2
    0-8-11-36(12-9-20)17-27-3
    3-25-6-7-26(30(38)39)35-2
    9(25)37(27)16-22-10-13-40
    -22/h1-8,14,22H,9-13,16-1
    8H2,(H,38,39)/t22-/m0/s1;
    QJTZURDDCIYTGM-QFIPXVFZSA-N    		 c1cc(nc(c1)OCc2ccc(cc2F)C#N)C3=CCN(CC3)C
    c4nc5ccc(nc5n4C[C@@H]6CCO6)C(=O)O; c1cc(
    nc(c1)OCc2ccc(cc2F)C#N)C3=CCN(CC3)Cc4nc5
    ccc(nc5n4CC6CCO6)C(=O)O; OC(=O)c1ccc2nc(
    CN3CCC(=CC3)c4cccc(OCc5ccc(cc5F)C#N)n4)n
    (C[C@@H]6CCO6)c2n1; OC(=O)c1ccc2nc(CN3CC
    C(=CC3)c4cccc(OCc5ccc(cc5F)C#N)n4)n(C[CH
    ]6CCO6)c2n1    		 2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{H}-pyridin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
    20701
    FFS
    CHEMBL1198227
    ZINC000001105529    		 1 C19 H15 Cl N4 O InChI=1S/C19H15ClN4O/c20-
    13-5-3-6-14(11-13)22-19-2
    3-17-9-2-1-8-16(17)18(24-
    19)21-12-15-7-4-10-25-15/
    h1-11H,12H2,(H2,21,22,23,
    24);
    KLRNKMZSARWWTH-UHFFFAOYSA-N    		 Clc1cccc(Nc2nc(NCc3occc3)c4ccccc4n2)c1;
    n2c(NCc1ccco1)c4ccccc4nc2Nc3cccc(c3)Cl;
    c1ccc2c(c1)c(nc(n2)Nc3cccc(c3)Cl)NCc4ccc
    o4    		 N~2~-(3-chlorophenyl)-N~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine
    20702
    FFT    		 2 C15 H27 O4 P InChI=1S/C15H27O4P/c1-13(
    2)7-5-8-14(3)9-6-10-15(4)
    11-12-19-20(16,17)18/h7,9
    ,11H,5-6,8,10,12H2,1-4H3,
    (H2,16,17,18)/b14-9-,15-1
    1-;
    ALEWCKXBHSDCCT-FBXUGWQNSA-N    		 CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(O)=O; CC
    (=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C; CC(=CC
    C/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)C; O=P(
    OC\C=C(/CC/C=C(/C)CC\C=C(/C)C)C)(O)O; CC
    (C)=CCCC(\C)=C/CCC(\C)=C/CO[P](O)(O)=O    		 (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate;
    farnesyl monophosphate
    20703
    FFU
    CHEMBL3086112
    ZINC000103285435    		 1 C17 H20 F2 N2 O InChI=1S/C17H20F2N2O/c1-1
    7(2)5-3-11(4-6-17)20-16(2
    2)15-9-12-13(19)7-10(18)8
    -14(12)21-15/h7-9,11,21H,
    3-6H2,1-2H3,(H,20,22);
    UATYSFRIVIHVKL-UHFFFAOYSA-N    		 CC1(CCC(CC1)NC(=O)c2cc3c([nH]2)cc(cc3F)F
    )C; CC1(C)CCC(CC1)NC(=O)c2[nH]c3cc(F)cc(
    F)c3c2    		 N-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1H-indole-2-carboxamide
    20704
    FFV
    CHEMBL4245081    		 1 C19 H18 Cl F N4 InChI=1S/C19H18ClFN4/c1-1
    1(12-6-7-12)22-18-14-4-2-
    3-5-17(14)24-19(25-18)23-
    13-8-9-16(21)15(20)10-13/
    h2-5,8-12H,6-7H2,1H3,(H2,
    22,23,24,25)/t11-/m1/s1;
    LSMKBOZJAWCJNL-LLVKDONJSA-N    		 C[C@H](C1CC1)Nc2c3ccccc3nc(n2)Nc4ccc(c(c
    4)Cl)F; CC(C1CC1)Nc2c3ccccc3nc(n2)Nc4ccc
    (c(c4)Cl)F; C[CH](Nc1nc(Nc2ccc(F)c(Cl)c2
    )nc3ccccc13)C4CC4; C[C@@H](Nc1nc(Nc2ccc(
    F)c(Cl)c2)nc3ccccc13)C4CC4; n1c(c3c(nc1N
    c2ccc(c(c2)Cl)F)cccc3)NC(C)C4CC4    		 N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
    20705
    FFW
    CHEMBL4434843    		 2 C20 H16 Cl N3 O4 InChI=1S/C20H16ClN3O4/c1-
    11-15(10-17-19(25)23-28-2
    2-17)16-9-14(27-2)7-8-18(
    16)24(11)20(26)12-3-5-13(
    21)6-4-12/h3-9H,10H2,1-2H
    3,(H,23,25);
    VJZLOJXUWVYZRW-UHFFFAOYSA-N    		 COc1ccc2n(c(C)c(CC3=NONC3=O)c2c1)C(=O)c4
    ccc(Cl)cc4; Cc1c(c2cc(ccc2n1C(=O)c3ccc(c
    c3)Cl)OC)CC4=NONC4=O    		 4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one
    20706
    FFX    		 1 C5 H8 F2 O4 InChI=1S/C5H8F2O4/c6-4-2(
    9)1(8)3(10)5(7)11-4/h1-5,
    8-10H/t1-,2-,3+,4-,5+;
    QCYATGUEQPTSRF-IYJRPRHRSA-N    		 C1(C(C(OC(C1O)F)F)O)O; O[CH]1[CH](O)[CH]
    (F)O[CH](F)[CH]1O; C1([C@H]([C@@H](O[C@@
    H]([C@H]1O)F)F)O)O; O[C@@H]1[C@@H](O)[C@
    H](F)O[C@H](F)[C@H]1O; FC1OC(F)C(O)C(O)C
    1O    		 (2R,3S,5R,6S)-2,6-DIFLUOROOXANE-3,4,5-TRIOL
    20707
    FFY
    CHEMBL4243567    		 1 C24 H25 Cl F N5 InChI=1S/C24H25ClFN5/c1-1
    4(15-5-6-15)28-23-19-4-2-
    3-18(16-9-11-27-12-10-16)
    22(19)30-24(31-23)29-17-7
    -8-21(26)20(25)13-17/h2-4
    ,7-9,13-15,27H,5-6,10-12H
    2,1H3,(H2,28,29,30,31)/t1
    4-/m1/s1;
    YQFXBUIYNRLMAO-CQSZACIVSA-N    		 n1c(c3c(nc1Nc2ccc(c(c2)Cl)F)c(ccc3)C4=CC
    NCC4)NC(C5CC5)C; CC(C1CC1)Nc2c3cccc(c3nc
    (n2)Nc4ccc(c(c4)Cl)F)C5=CCNCC5; C[C@@H](
    Nc1nc(Nc2ccc(F)c(Cl)c2)nc3c(cccc13)C4=CC
    NCC4)C5CC5; C[C@H](C1CC1)Nc2c3cccc(c3nc(
    n2)Nc4ccc(c(c4)Cl)F)C5=CCNCC5; C[CH](Nc1
    nc(Nc2ccc(F)c(Cl)c2)nc3c(cccc13)C4=CCNCC
    4)C5CC5    		 N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine
    20708
    FFZ
    CHEMBL4436770    		 5 C28 H29 N3 O3 InChI=1S/C28H29N3O3/c1-19
    (2)31-28(33)24-12-8-7-11-
    23(24)27(30-31)22-13-15-2
    5(34-3)21(17-22)14-16-26(
    32)29-18-20-9-5-4-6-10-20
    /h4-10,13,15,17,19,23-24H
    ,11-12,18H2,1-3H3,(H,29,3
    2)/t23-,24+/m0/s1;
    CNKULZYKNGMIIR-BJKOFHAPSA-N    		 COc1ccc(cc1C#CC(=O)NCc2ccccc2)C3=NN(C(C)
    C)C(=O)[C@@H]4CC=CC[C@H]34; CC(C)N1C(=O)
    [C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC
    (=O)NCc4ccccc4)OC; CC(C)N1C(=O)C2CC=CCC2
    C(=N1)c3ccc(c(c3)C#CC(=O)NCc4ccccc4)OC;
    COc3ccc(C=1C2C(C(N(C(C)C)N=1)=O)CC=CC2)c
    c3C#CC(=O)NCc4ccccc4; COc1ccc(cc1C#CC(=O
    )NCc2ccccc2)C3=NN(C(C)C)C(=O)[CH]4CC=CC[
    CH]34    		 3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE
    20709
    FG0
    CHEMBL2098175
    ZINC000084687678    		 1 C20 H23 N O3 S InChI=1S/C20H23NO3S/c1-2-
    17-18(23-11-10-22-17)13-1
    5(1)14-21-7-5-20(6-8-21)1
    6-4-12-25-19(16)3-9-24-20
    /h1-2,4,12-13H,3,5-11,14H
    2;
    NCRPMBWORFWNGT-UHFFFAOYSA-N    		 c1cc2c(cc1CN3CCC4(CC3)c5ccsc5CCO4)OCCO2;
    C1COc2cc(CN3CCC4(CC3)OCCc5sccc45)ccc2O1    		 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
    20710
    FG1
    DB02784
    ZINC000012502600    		 1 C18 H23 Br N4 O7 InChI=1S/C18H23BrN4O7/c19
    -9-15(26)20-8-6-14(25)23-
    13(10-24)16(27)21-7-5-11-
    1-3-12(4-2-11)22-17(28)18
    (29)30/h1-4,13,24H,5-10H2
    ,(H,20,26)(H,21,27)(H,22,
    28)(H,23,25)(H,29,30)/t13
    -/m0/s1;
    IYAWTDCWUJJPHZ-ZDUSSCGKSA-N    		 c1cc(ccc1CCNC(=O)C(CO)NC(=O)CCNC(=O)CBr)
    NC(=O)C(=O)O; O=C(Nc1ccc(cc1)CCNC(=O)C(N
    C(=O)CCNC(=O)CBr)CO)C(=O)O; OC[C@H](NC(=
    O)CCNC(=O)CBr)C(=O)NCCc1ccc(NC(=O)C(O)=O
    )cc1; c1cc(ccc1CCNC(=O)[C@H](CO)NC(=O)CC
    NC(=O)CBr)NC(=O)C(=O)O; OC[CH](NC(=O)CCN
    C(=O)CBr)C(=O)NCCc1ccc(NC(=O)C(O)=O)cc1    		 N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)-PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}-ETHYL)-PHENYL]-OXALAMIC ACID
    20711
    FG2
    CHEMBL1232723
    ZINC000058631901    		 3 C16 H15 N3 O4 S InChI=1S/C16H15N3O4S/c1-1
    0-3-6-15(17-9-10)24(21,22
    )19-16(20)14-8-11-7-12(23
    -2)4-5-13(11)18-14/h3-9,1
    8H,1-2H3,(H,19,20);
    ZKUFSBNJBIOKLO-UHFFFAOYSA-N    		 Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3[n
    H]2)OC; O=S(=O)(c1ncc(cc1)C)NC(=O)c3cc2c
    c(OC)ccc2n3; COc1ccc2[nH]c(cc2c1)C(=O)N[
    S](=O)(=O)c3ccc(C)cn3    		 5-methoxy-N-[(5-methylpyridin-2-yl)sulfonyl]-1H-indole-2-carboxamide
    20712
    FG3
    CHEMBL1232724
    ZINC000058638494    		 3 C18 H17 N3 O6 S InChI=1S/C18H17N3O6S/c1-1
    1-3-6-16(19-9-11)28(25,26
    )20-18(24)15-8-12-7-13(27
    -2)4-5-14(12)21(15)10-17(
    22)23/h3-9H,10H2,1-2H3,(H
    ,20,24)(H,22,23);
    MOZJRLFDFCKFFT-UHFFFAOYSA-N    		 Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2
    CC(=O)O)OC; COc1ccc2n(CC(O)=O)c(cc2c1)C(
    =O)N[S](=O)(=O)c3ccc(C)cn3; O=S(=O)(c1nc
    c(cc1)C)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O    		 (5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid
    20713
    FG4
    ZINC000058633681    		 2 C21 H17 N O6 InChI=1S/C21H17NO6/c1-26-
    15-6-7-17-14(9-15)10-18(2
    2(17)11-20(23)24)21(25)27
    -12-16-8-13-4-2-3-5-19(13
    )28-16/h2-10H,11-12H2,1H3
    ,(H,23,24);
    CKGFVKXFHXZPEW-UHFFFAOYSA-N    		 COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)OCc3cc4cc
    ccc4o3; COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)O
    Cc3oc4ccccc4c3; O=C(O)Cn1c4ccc(OC)cc4cc1
    C(=O)OCc3oc2ccccc2c3    		 {2-[(1-benzofuran-2-ylmethoxy)carbonyl]-5-methoxy-1H-indol-1-yl}acetic acid
    20714
    FG5
    ZINC000058633685    		 1 C20 H18 N2 O6 S InChI=1S/C20H18N2O6S/c1-2
    7-16-6-7-17-14(9-16)8-15(
    22(17)12-19(23)24)11-21-2
    9(25,26)20-10-13-4-2-3-5-
    18(13)28-20/h2-10,21H,11-
    12H2,1H3,(H,23,24);
    WZHKFPDZEVEAJG-UHFFFAOYSA-N    		 COc1ccc2n(CC(O)=O)c(CN[S](=O)(=O)c3oc4cc
    ccc4c3)cc2c1; COc1ccc2c(c1)cc(n2CC(=O)O)
    CNS(=O)(=O)c3cc4ccccc4o3; O=C(O)Cn1c4ccc
    (OC)cc4cc1CNS(=O)(=O)c3oc2ccccc2c3    		 (2-{[(1-benzofuran-2-ylsulfonyl)amino]methyl}-5-methoxy-1H-indol-1-yl)acetic acid
    20715
    FG6
    CHEMBL1232727
    ZINC000058633687    		 3 C20 H16 N2 O7 S InChI=1S/C20H16N2O7S/c1-2
    8-14-6-7-15-13(8-14)9-16(
    22(15)11-18(23)24)20(25)2
    1-30(26,27)19-10-12-4-2-3
    -5-17(12)29-19/h2-10H,11H
    2,1H3,(H,21,25)(H,23,24);
    XOSVMFKSAWOSMH-UHFFFAOYSA-N    		 COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O
    )c3cc4ccccc4o3; O=C(O)Cn1c4ccc(OC)cc4cc1
    C(=O)NS(=O)(=O)c3oc2ccccc2c3; COc1ccc2n(
    CC(O)=O)c(cc2c1)C(=O)N[S](=O)(=O)c3oc4cc
    ccc4c3    		 {2-[(1-benzofuran-2-ylsulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl}acetic acid
    20716
    FG7
    CHEMBL1702228
    DB11552
    ZINC000000402652    		 4 C9 H11 N O2 InChI=1S/C9H11NO2/c1-2-12
    -9(11)7-4-3-5-8(10)6-7/h3
    -6H,2,10H2,1H3;
    ZMCBYSBVJIMENC-UHFFFAOYSA-N    		 CCOC(=O)c1cccc(c1)N; CCOC(=O)c1cccc(N)c1
    ; O=C(OCC)c1cc(N)ccc1    		 ethyl 3-aminobenzoate
    20717
    FG8
    CHEMBL4872913    		 4 C15 H12 Cl N O2 S InChI=1S/C15H12ClNO2S/c16
    -12-6-8-13(9-7-12)20-14-4
    -2-1-3-11(14)5-10-15(18)1
    7-19/h1-10,19H,(H,17,18)/
    b10-5+;
    LOPNSVKBMZZEHH-BJMVGYQFSA-N    		 c1ccc(c(c1)C=CC(=O)NO)Sc2ccc(cc2)Cl; c1c
    cc(c(c1)/C=C/C(=O)NO)Sc2ccc(cc2)Cl; ONC(
    =O)\C=C\c1ccccc1Sc2ccc(Cl)cc2; ONC(=O)C=
    Cc1ccccc1Sc2ccc(Cl)cc2    		 (~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide
    20718
    FG9
    CHEMBL4748345    		 1 C18 H22 N6 O InChI=1S/C18H22N6O/c19-16
    -15-2-4-20-11-13(15)10-14
    -12-22-18(23-17(14)16)21-
    3-1-5-24-6-8-25-9-7-24/h2
    ,4,10-12H,1,3,5-9,19H2,(H
    ,21,22,23);
    LRBZZLHCFITOFC-UHFFFAOYSA-N    		 c1cncc2c1c(c3c(c2)cnc(n3)NCCCN4CCOCC4)N;
    Nc1c2ccncc2cc3cnc(NCCCN4CCOCC4)nc13    		 ~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine
    20719
    FGA
    CHEMBL76232
    DB02517
    ZINC000000895124    		 2 C5 H9 N O4 InChI=1S/C5H9NO4/c6-3(5(9
    )10)1-2-4(7)8/h3H,1-2,6H2
    ,(H,7,8)(H,9,10)/t3-/m1/s
    1;
    WHUUTDBJXJRKMK-GSVOUGTGSA-N    		 C(CC(=O)O)[C@H](C(=O)O)N; O=C(O)C(N)CCC(
    =O)O; C(CC(=O)O)C(C(=O)O)N; N[C@H](CCC(O
    )=O)C(O)=O; N[CH](CCC(O)=O)C(O)=O    		 GAMMA-D-GLUTAMIC ACID;
    D-GLUTAMIC ACID
    20720
    FGD
    ZINC000028258717    		 14 C21 H21 N5 O6 InChI=1S/C21H21N5O6/c22-2
    1-25-15-6-1-11(9-14(15)19
    (30)26-21)10-23-13-4-2-12
    (3-5-13)18(29)24-16(20(31
    )32)7-8-17(27)28/h1-6,9,1
    6,23H,7-8,10H2,(H,24,29)(
    H,27,28)(H,31,32)(H3,22,2
    5,26,30)/t16-/m1/s1;
    UQFCLENKCDVITL-MRXNPFEDSA-N    		 c1c(ccc(c1)NCc2cc3c(cc2)NC(N)=NC3=O)C(NC
    (C(=O)O)CCC(=O)O)=O; c1cc(ccc1C(=O)N[C@H
    ](CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O)N=C(
    N3)N; NC1=NC(=O)c2cc(CNc3ccc(cc3)C(=O)N[
    C@H](CCC(O)=O)C(O)=O)ccc2N1; c1cc(ccc1C(
    =O)NC(CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O)
    N=C(N3)N; NC1=NC(=O)c2cc(CNc3ccc(cc3)C(=
    O)N[CH](CCC(O)=O)C(O)=O)ccc2N1    		 N-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-D-glutamic acid
    20721
    FGE    		 1 C14 H12 N4 O4 S2 InChI=1S/C14H12N4O4S2/c1-
    6-12(23-14(17-6)18-7(2)19
    )8-3-9-5-16-13(20)11(9)10
    (4-8)24(15,21)22/h3-5H,1-
    2H3,(H2,15,21,22)(H,17,18
    ,19);
    LTKQWKJDTSYBED-UHFFFAOYSA-N    		 Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)
    N)C(=O)N=C3; CC(=O)Nc1sc(c(C)n1)c2cc3C=N
    C(=O)c3c(c2)[S](N)(=O)=O    		 ~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide
    20722
    FGF
    CHEMBL3908979
    DB16845
    ZINC000644165879    		 3 C25 H30 N8 O4 InChI=1S/C25H30N8O4/c1-31
    -7-8-32(23(35)15-31)14-18
    -10-17-4-3-6-33(24(17)29-
    21(18)16-34)25(36)30-22-1
    1-20(27-5-9-37-2)19(12-26
    )13-28-22/h10-11,13,16H,3
    -9,14-15H2,1-2H3,(H2,27,2
    8,30,36);
    BHKDKKZMPODMIQ-UHFFFAOYSA-N    		 COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O
    )c(C=O)nc23)ncc1C#N; CN1CCN(C(=O)C1)Cc2c
    c3c(nc2C=O)N(CCC3)C(=O)Nc4cc(c(cn4)C#N)N
    CCOC    		 N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;
    Roblitinib;
    FGF-401
    20723
    FGG
    ZINC000058632132    		 3 C20 H35 F O7 P2 InChI=1S/C20H35FO7P2/c1-1
    6(2)9-6-10-17(3)11-7-12-1
    8(4)13-8-14-19(5)20(21)15
    -27-30(25,26)28-29(22,23)
    24/h9,11,13H,6-8,10,12,14
    -15H2,1-5H3,(H,25,26)(H2,
    22,23,24)/b17-11+,18-13+,
    20-19-;
    NZHGLLPGXYKTDW-HAQLZSGTSA-N    		 CC(=CCC/C(=C/CC/C(=C/CC/C(=C(/CO[P@@](=O
    )(O)OP(=O)(O)O)\F)/C)/C)/C)C; CC(C)=CCC/
    C(C)=C/CC/C(C)=C/CC\C(C)=C(F)\CO[P](O)(=
    O)O[P](O)(O)=O; O=P(O)(O)OP(=O)(OCC(\F)=
    C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)O;
    CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=C(F)CO[P](
    O)(=O)O[P](O)(O)=O; CC(=CCCC(=CCCC(=CCCC
    (=C(COP(=O)(O)OP(=O)(O)O)F)C)C)C)C    		 (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate;
    2-fluoro-geranylgeranyl diphosphate
    20724
    FGH
    CHEMBL3235350
    ZINC000098208883    		 1 C27 H35 N3 O2 InChI=1S/C27H35N3O2/c1-16
    (2)10-18-12-19(11-17-6-8-
    28-26(32)24(17)18)30-21-1
    3-27(3,4)14-23(31)25(21)2
    0-7-9-29(5)15-22(20)30/h1
    1-12,16H,6-10,13-15H2,1-5
    H3,(H,28,32);
    JEHITPSPEWPKHP-UHFFFAOYSA-N    		 O=C5NCCc4cc(n1c3c(c2c1CN(CC2)C)C(=O)CC(C
    3)(C)C)cc(c45)CC(C)C; CC(C)Cc1cc(cc2CCNC
    (=O)c12)n3c4CN(C)CCc4c5C(=O)CC(C)(C)Cc35
    ; CC(C)Cc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN
    (CC5)C)C(=O)CC(C4)(C)C    		 2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one
    20725
    FGJ
    ZINC000005820130    		 7 C15 H28 O5 InChI=1S/C15H28O5/c1-3-5-
    7-9-14(17)19-12-13(11-16)
    20-15(18)10-8-6-4-2/h13,1
    6H,3-12H2,1-2H3/t13-/m1/s
    1;
    DRUFTGMQJWWIOL-CYBMUJFWSA-N    		 C(CCCC)C(OCC(CO)OC(=O)CCCCC)=O; CCCCCC(=
    O)OC[CH](CO)OC(=O)CCCCC; CCCCCC(=O)OCC(C
    O)OC(=O)CCCCC; CCCCCC(=O)OC[C@@H](CO)OC(
    =O)CCCCC    		 (2R)-3-hydroxypropane-1,2-diyl dihexanoate
    20726
    FGL
    CHEMBL1232731
    DB02289
    ZINC000000895421    		 0 C3 H5 N O4 InChI=1S/C3H5NO4/c4-1(2(5
    )6)3(7)8/h1H,4H2,(H,5,6)(
    H,7,8);
    JINBYESILADKFW-UHFFFAOYSA-N    		 C(C(=O)O)(C(=O)O)N; NC(C(O)=O)C(O)=O; O=
    C(O)C(N)C(=O)O    		 2-AMINOPROPANEDIOIC ACID
    20727
    FGM
    ZINC000098208884    		 1 C19 H38 O3 InChI=1S/C19H38O3/c1-3-5-
    7-9-10-11-12-14-16-18(20)
    17(19(21)22)15-13-8-6-4-2
    /h17-18,20H,3-16H2,1-2H3,
    (H,21,22)/t17-,18-/m1/s1;
    OYDUHHOWTJLUGL-QZTJIDSGSA-N    		 CCCCCCCCCC[C@@H](O)[C@@H](CCCCCC)C(O)=O;
    CCCCCCCCCCC(C(CCCCCC)C(=O)O)O; CCCCCCCC
    CC[C@H]([C@@H](CCCCCC)C(=O)O)O; CCCCCCCC
    CC[CH](O)[CH](CCCCCC)C(O)=O; O=C(O)C(CCC
    CCC)C(O)CCCCCCCCCC    		 (2R,3R)-2-hexyl-3-hydroxytridecanoic acid
    20728
    FGN    		 4 C16 H13 Cl2 N O3 InChI=1S/C16H13Cl2NO3/c17
    -13-5-3-6-14(18)12(13)10-
    22-15-7-2-1-4-11(15)8-9-1
    6(20)19-21/h1-9,21H,10H2,
    (H,19,20)/b9-8+;
    YTQRIEFQVODUBZ-CMDGGOBGSA-N    		 c1ccc(c(c1)C=CC(=O)NO)OCc2c(cccc2Cl)Cl;
    ONC(=O)\C=C\c1ccccc1OCc2c(Cl)cccc2Cl; ON
    C(=O)C=Cc1ccccc1OCc2c(Cl)cccc2Cl; c1ccc(
    c(c1)/C=C/C(=O)NO)OCc2c(cccc2Cl)Cl    		 (~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide
    20729
    FGO    		 34 C22 H28 N7 O13 P InChI=1S/C22H28N7O13P/c23
    -20-26-16-13(17(33)27-20)
    24-7-29(16)18-9-4-22(35,3
    6)3-8(9)11(41-18)6-39-43(
    37,38)42-15-10(5-30)40-19
    (14(15)32)28-2-1-12(31)25
    -21(28)34/h1-2,7-11,14-15
    ,18-19,30,32,35-36H,3-6H2
    ,(H,37,38)(H,25,31,34)(H3
    ,23,26,27,33)/t8-,9+,10+,
    11+,14+,15+,18+,19+/m0/s1;
    UMWHQRFZYGKEGD-MIHJLMQYSA-N    		 c1nc2c(n1C3C4CC(CC4C(O3)COP(=O)(O)OC5C(O
    C(C5O)N6C=CC(=O)NC6=O)CO)(O)O)N=C(NC2=O)
    N; c1nc2c(n1[C@H]3[C@@H]4CC(C[C@@H]4[C@H
    ](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@
    H]5O)N6C=CC(=O)NC6=O)CO)(O)O)N=C(NC2=O)N
    ; NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](
    O)(=O)O[CH]4[CH](O)[CH](O[CH]4CO)N5C=CC(
    =O)NC5=O)[CH]6CC(O)(O)C[CH]36; NC1=Nc2n(
    cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[
    C@H]4[C@@H](O)[C@@H](O[C@@H]4CO)N5C=CC(=
    O)NC5=O)[C@H]6CC(O)(O)C[C@@H]36    		 [(1S,3R,3aR,6aS)-3-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-5,5-bis(oxidanyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methyl [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate
    20730
    FGP
    DB03821
    ZINC000012503936    		 0 C3 H8 N O7 P InChI=1S/C3H8NO7P/c4-1(2(
    5)6)3(7)11-12(8,9)10/h1,3
    ,7H,4H2,(H,5,6)(H2,8,9,10
    )/t1-,3+/m1/s1;
    JVLKWZAWYDOHCD-GPKNORDASA-N    		 O=P(OC(O)C(N)C(=O)O)(O)O; C(C(O)OP(=O)(O
    )O)(C(=O)O)N; N[C@@H]([C@@H](O)O[P](O)(O
    )=O)C(O)=O; [C@H]([C@@H](O)OP(=O)(O)O)(C
    (=O)O)N; N[CH]([CH](O)O[P](O)(O)=O)C(O)=
    O    		 2-AMINO-3-HYDROXY-3-PHOSPHONOOXY-PROPIONIC ACID
    20731
    FGQ
    CHEMBL4177089    		 1 C16 H12 F N O3 S InChI=1S/C16H12FNO3S/c1-1
    0-4-6-11(7-5-10)22(20,21)
    14-9-13(17)16(19)15-12(14
    )3-2-8-18-15/h2-9,19H,1H3;
    VRULDRRQTAPONR-UHFFFAOYSA-N    		 Cc1ccc(cc1)[S](=O)(=O)c2cc(F)c(O)c3ncccc
    23; Cc1ccc(cc1)S(=O)(=O)c2cc(c(c3c2cccn3
    )O)F    		 7-fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol
    20732
    FGR    		 2 C8 H15 N2 O9 P InChI=1S/C8H15N2O9P/c11-3
    -9-1-5(12)10-8-7(14)6(13)
    4(19-8)2-18-20(15,16)17/h
    3-4,6-8,13-14H,1-2H2,(H,9
    ,11)(H,10,12)(H2,15,16,17
    )/t4-,6-,7-,8-/m1/s1;
    VDXLUNDMVKSKHO-XVFCMESISA-N    		 C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CNC
    =O)O)O)OP(=O)(O)O; O=C(NC1OC(C(O)C1O)COP
    (=O)(O)O)CNC=O; O[CH]1[CH](O)[CH](NC(=O)
    CNC=O)O[CH]1CO[P](O)(O)=O; C(C1C(C(C(O1)
    NC(=O)CNC=O)O)O)OP(=O)(O)O; O[C@H]1[C@@H
    ](O)[C@H](NC(=O)CNC=O)O[C@@H]1CO[P](O)(O
    )=O    		 N-(N-FORMYLGLYCYL)-5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINE
    20733
    FGS
    ZINC000058638641    		 2 C8 H18 N O9 P InChI=1S/C8H18NO9P/c1-4(1
    1)9-5(2-10)7(13)8(14)6(12
    )3-18-19(15,16)17/h5-8,10
    ,12-14H,2-3H2,1H3,(H,9,11
    )(H2,15,16,17)/t5-,6-,7+,
    8+/m0/s1;
    WHHOIWRDVIBHSP-RULNZFCNSA-N    		 CC(=O)N[CH](CO)[CH](O)[CH](O)[CH](O)CO[P
    ](O)(O)=O; CC(=O)N[C@@H](CO)[C@@H](O)[C@
    H](O)[C@@H](O)CO[P](O)(O)=O; CC(=O)NC(CO
    )C(C(C(COP(=O)(O)O)O)O)O; CC(=O)N[C@@H](
    CO)[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O;
    O=P(O)(O)OCC(O)C(O)C(O)C(NC(=O)C)CO    		 5-(ACETYLAMINO)-5-DEOXY-1-O-PHOSPHONO-L-IDITOL
    20734
    FGT
    CHEMBL63857
    DB04824
    ZINC000003831317    		 3 C20 H14 O4 InChI=1S/C20H14O4/c21-15-
    9-5-13(6-10-15)20(14-7-11
    -16(22)12-8-14)18-4-2-1-3
    -17(18)19(23)24-20/h1-12,
    21-22H;
    KJFMBFZCATUALV-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)OC2(c3ccc(cc3)O)c4ccc(cc
    4)O; Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc
    (O)cc4    		 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;
    phenolphthalein
    20735
    FGU    		 1 C10 H20 N2 O2 S InChI=1S/C10H20N2O2S/c1-7
    (2)6-9(11)10(14)15-5-4-12
    -8(3)13/h7,9H,4-6,11H2,1-
    3H3,(H,12,13)/t9-/m0/s1;
    FGUKBCKKFXHYHQ-VIFPVBQESA-N    		 CC(C)C[CH](N)C(=O)SCCNC(C)=O; CC(C)C[C@@
    H](C(=O)SCCNC(=O)C)N; CC(C)C[C@H](N)C(=O
    )SCCNC(C)=O; CC(C)CC(C(=O)SCCNC(=O)C)N    		 S-(2-acetamidoethyl) (2S)-2-azanyl-4-methyl-pentanethioate
    20736
    FGV
    CHEMBL3349692
    ZINC000100590871    		 1 C6 H15 O15 P3 InChI=1S/C6H15O15P3/c7-1-
    4(19-22(10,11)12)2(8)6(21
    -24(16,17)18)3(9)5(1)20-2
    3(13,14)15/h1-9H,(H2,10,1
    1,12)(H2,13,14,15)(H2,16,
    17,18)/t1-,2-,3-,4-,5+,6-;
    RURWIJNHQMXJDV-GBKPYZKPSA-N    		 O[C@@H]1[C@H](O[P](O)(O)=O)[C@@H](O)[C@H
    ](O[P](O)(O)=O)[C@@H](O)[C@@H]1O[P](O)(O
    )=O; O[CH]1[CH](O[P](O)(O)=O)[CH](O)[CH]
    (O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O;
    C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)O)O
    P(=O)(O)O)O; C1(C(O)C(OP(O)(O)=O)C(O)C(C
    1O)OP(=O)(O)O)OP(O)(O)=O    		 (1R,2S,3r,4R,5S,6s)-2,4,6-trihydroxycyclohexane-1,3,5-triyl tris[dihydrogen (phosphate)];
    D-myo-inositol-1,3,5-trisphosphate
    20737
    FGW    		 0 C60 H76 N21 O10 InChI=1S/C60H75N21O10/c1-
    35(2)81-21-19-62-51(81)59
    (90)69-40-26-46(78(9)32-4
    0)57(88)67-38-24-44(76(7)
    30-38)55(86)65-36-22-42(7
    4(5)28-36)53(84)63-16-12-
    14-50(83)71-48-34-80(11)5
    2(72-48)60(91)70-41-27-47
    (79(10)33-41)58(89)68-39-
    25-45(77(8)31-39)56(87)66
    -37-23-43(75(6)29-37)54(8
    5)64-18-15-49(82)61-17-13
    -20-73(3)4/h19,21-35H,12-
    18,20H2,1-11H3,(H,61,82)(
    H,63,84)(H,64,85)(H,65,86
    )(H,66,87)(H,67,88)(H,68,
    89)(H,69,90)(H,70,91)(H,7
    1,83)/p+1;
    GJZDNWOYNBZDEA-UHFFFAOYSA-O    		 CC(C)n1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc
    (n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)
    Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(
    n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NC
    CC[NH+](C)C)C; CC(C)n1ccnc1C(=O)Nc2cn(C)
    c(c2)C(=O)Nc3cn(C)c(c3)C(=O)Nc4cn(C)c(c4
    )C(=O)NCCCC(=O)Nc5cn(C)c(n5)C(=O)Nc6cn(C
    )c(c6)C(=O)Nc7cn(C)c(c7)C(=O)Nc8cn(C)c(c
    8)C(=O)NCCC(=O)NCCC[NH+](C)C    		 dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-propan-2-ylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium
    20738
    FGX    		 1 C28 H31 B N5 O9 P S InChI=1S/C28H31BN5O9PS/c1
    -15(35)12-45-19-6-4-17(5-
    7-19)23(36)18-3-2-16-8-9-
    29(20(16)10-18)42-24-21(1
    1-40-44(37,38)39)41-28(25
    (24)43-29)34-14-33-22-26(
    30)31-13-32-27(22)34/h2-7
    ,10,13-14,21,23-25,28,36-
    39H,8-9,11-12H2,1H3,(H2,3
    0,31,32)/t21-,23+,24-,25+
    ,28+,29+/m0/s1;
    YYNKFKBRIAWSCO-QTPLPVLTSA-N    		 CC(=O)CSc1ccc(cc1)[CH](O)c2ccc3CC[B-]4(O
    [CH]5[CH](CO[P+](O)(O)O)O[CH]([CH]5O4)n6
    cnc7c(N)ncnc67)c3c2; CC(=O)CSc1ccc(cc1)[
    C@@H](O)c2ccc3CC[B-]4(O[C@H]5[C@H](CO[P+
    ](O)(O)O)O[C@H]([C@@H]5O4)n6cnc7c(N)ncnc
    67)c3c2; [B-]12(CCc3c1cc(cc3)C(c4ccc(cc4
    )SCC(=O)C)O)OC5C(OC(C5O2)n6cnc7c6ncnc7N)
    CO[P+](O)(O)O; [B-]12(CCc3c1cc(cc3)[C@@H
    ](c4ccc(cc4)SCC(=O)C)O)O[C@H]5[C@@H](O[C
    @H]([C@@H]5O2)n6cnc7c6ncnc7N)CO[P+](O)(O
    )O    		 [(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium
    20739
    FGY
    CHEMBL4167623    		 6 C27 H35 N5 O6 InChI=1S/C27H35N5O6/c1-17
    (23(34)28-15-18-8-6-5-7-9
    -18)30-26(37)21(14-22(33)
    29-16-27(2,3)4)31-24(35)1
    9-10-12-20(13-11-19)25(36
    )32-38/h5-13,17,21,38H,14
    -16H2,1-4H3,(H,28,34)(H,2
    9,33)(H,30,37)(H,31,35)(H
    ,32,36)/t17-,21-/m0/s1;
    CMINWSPSBRREEO-UWJYYQICSA-N    		 C[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](CC(=
    O)NCC(C)(C)C)NC(=O)c2ccc(cc2)C(=O)NO; C[
    CH](NC(=O)[CH](CC(=O)NCC(C)(C)C)NC(=O)c1
    ccc(cc1)C(=O)NO)C(=O)NCc2ccccc2; C(C(NC(
    C(CC(=O)NCC(C)(C)C)NC(c1ccc(C(=O)NO)cc1)
    =O)=O)C)(NCc2ccccc2)=O; CC(C(=O)NCc1cccc
    c1)NC(=O)C(CC(=O)NCC(C)(C)C)NC(=O)c2ccc(
    cc2)C(=O)NO; C[C@H](NC(=O)[C@H](CC(=O)NC
    C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)NO)C(=O)NC
    c2ccccc2    		 N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide
    20740
    FGZ
    ZINC000000156492    		 1 C7 H4 Cl2 O3 InChI=1S/C7H4Cl2O3/c8-4-1
    -3(7(11)12)2-5(9)6(4)10/h
    1-2,10H,(H,11,12);
    AULKDLUOQCUNOK-UHFFFAOYSA-N    		 O=C(c1cc(Cl)c(O)c(Cl)c1)O; c1c(cc(c(c1Cl
    )O)Cl)C(=O)O; OC(=O)c1cc(Cl)c(O)c(Cl)c1    		 3,5-dichloro-4-hydroxybenzoic acid
    20741
    FH0
    CHEMBL4776838    		 2 C26 H28 N8 O InChI=1S/C26H28N8O/c1-32-
    11-13-33(14-12-32)21-6-4-
    20(5-7-21)29-26-28-10-8-2
    2(30-26)24-23-18-35-16-15
    -34(23)31-25(24)19-3-2-9-
    27-17-19/h2-10,17H,11-16,
    18H2,1H3,(H,28,29,30);
    OCSGNUMYNBZDDW-UHFFFAOYSA-N    		 CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4c5COCCn5nc
    4c6cccnc6)cc2; CN1CCN(CC1)c2ccc(cc2)Nc3n
    ccc(n3)c4c5n(nc4c6cccnc6)CCOC5    		 ~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{H}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine
    20742
    FH1
    CHEMBL4215267    		 1 C37 H50 N6 O9 S InChI=1S/C37H50N6O9S/c1-8
    -22-19-37(22,33(46)42-53(
    48,49)36(6)15-16-36)41-30
    (44)28-18-25(51-31-21(2)3
    8-26-14-13-24(50-7)17-27(
    26)39-31)20-43(28)32(45)2
    9(35(3,4)5)40-34(47)52-23
    -11-9-10-12-23/h8,13-14,1
    7,22-23,25,28-29H,1,9-12,
    15-16,18-20H2,2-7H3,(H,40
    ,47)(H,41,44)(H,42,46)/t2
    2-,25-,28+,29-,37-/m1/s1;
    XMUMASNXHDVGQJ-LCWNRMNXSA-N    		 Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3
    )C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)C(=O
    )N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6(CC
    6)C; COc1ccc2nc(C)c(O[CH]3C[CH](N(C3)C(=
    O)[CH](NC(=O)OC4CCCC4)C(C)(C)C)C(=O)N[C]
    5(C[CH]5C=C)C(=O)N[S](=O)(=O)C6(C)CC6)nc
    2c1; Cc1c(nc2cc(ccc2n1)OC)OC3CC(N(C3)C(=
    O)C(C(C)(C)C)NC(=O)OC4CCCC4)C(=O)NC5(CC5
    C=C)C(=O)NS(=O)(=O)C6(CC6)C; COc1ccc2nc(
    C)c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=
    O)OC4CCCC4)C(C)(C)C)C(=O)N[C@@]5(C[C@H]5
    C=C)C(=O)N[S](=O)(=O)C6(C)CC6)nc2c1; C3(
    CC(Oc2c(nc1ccc(cc1n2)OC)C)CN3C(=O)C(C(C)
    (C)C)NC(OC4CCCC4)=O)C(NC5(C(/C=C)C5)C(=O
    )NS(C6(CC6)C)(=O)=O)=O    		 N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-L-prolinamide
    20743
    FH2    		 1 C7 H11 F O4 InChI=1S/C7H11FO4/c8-5-4(
    10)1-3(2-9)6(11)7(5)12/h1
    ,4-7,9-12H,2H2/t4-,5-,6-,
    7+/m0/s1;
    GCEFMEUYUSFIFI-ZTYPAOSTSA-N    		 C1=C([C@@H]([C@@H]([C@H]([C@H]1O)F)O)O)C
    O; OCC1=C[C@H](O)[C@H](F)[C@@H](O)[C@H]1
    O; C1=C(C(C(C(C1O)F)O)O)CO; OCC1=C[CH](O
    )[CH](F)[CH](O)[CH]1O    		 (1~{S},2~{S},3~{S},4~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol
    20744
    FH3
    CHEMBL3087778
    ZINC000095921385    		 1 C18 H22 Cl N7 O InChI=1S/C18H22ClN7O/c1-1
    0-13(9-25(3)24-10)17-22-1
    5-16(14(19)7-21-18(15)23-
    17)26-5-4-12(8-26)6-20-11
    (2)27/h7,9,12H,4-6,8H2,1-
    3H3,(H,20,27)(H,21,22,23)
    /t12-/m0/s1;
    KLKOJHYRAITDCX-LBPRGKRZSA-N    		 Cn1cc(c(C)n1)c2[nH]c3ncc(Cl)c(N4CC[C@@H]
    (CNC(C)=O)C4)c3n2; Cc1c(cn(n1)C)c2[nH]c3
    c(n2)c(c(cn3)Cl)N4CCC(C4)CNC(=O)C; Cc1c(
    cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4CC[C@H
    ](C4)CNC(=O)C; Cn1cc(c(C)n1)c2[nH]c3ncc(
    Cl)c(N4CC[CH](CNC(C)=O)C4)c3n2; O=C(NCC4
    CCN(c1c2nc(nc2ncc1Cl)c3cn(nc3C)C)C4)C    		 (S)-N-((1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide
    20745
    FH4
    CHEMBL4205968    		 1 C39 H54 N6 O9 S InChI=1S/C39H54N6O9S/c1-9
    -23-20-39(23,35(48)44-55(
    50,51)38(7)16-17-38)43-32
    (46)29-19-26(53-33-30(22(
    2)3)40-27-15-14-25(52-8)1
    8-28(27)41-33)21-45(29)34
    (47)31(37(4,5)6)42-36(49)
    54-24-12-10-11-13-24/h9,1
    4-15,18,22-24,26,29,31H,1
    ,10-13,16-17,19-21H2,2-8H
    3,(H,42,49)(H,43,46)(H,44
    ,48)/t23-,26-,29+,31-,39-
    /m1/s1;
    SXDJYVUXIXGZPI-GQBWDAOWSA-N    		 COc1ccc2nc(C(C)C)c(O[CH]3C[CH](N(C3)C(=O
    )[CH](NC(=O)OC4CCCC4)C(C)(C)C)C(=O)N[C]5
    (C[CH]5C=C)C(=O)N[S](=O)(=O)C6(C)CC6)nc2
    c1; COc1ccc2nc(C(C)C)c(O[C@@H]3C[C@H](N(
    C3)C(=O)[C@@H](NC(=O)OC4CCCC4)C(C)(C)C)C
    (=O)N[C@@]5(C[C@H]5C=C)C(=O)N[S](=O)(=O)
    C6(C)CC6)nc2c1; CC(C)c1c(nc2cc(ccc2n1)OC
    )O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C
    )NC(=O)OC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C)
    C(=O)NS(=O)(=O)C6(CC6)C; C5(C(NC1(C(/C=C
    )C1)C(=O)NS(C2(CC2)C)(=O)=O)=O)CC(Oc4c(n
    c3ccc(cc3n4)OC)C(C)C)CN5C(=O)C(C(C)(C)C)
    NC(OC6CCCC6)=O; CC(C)c1c(nc2cc(ccc2n1)OC
    )OC3CC(N(C3)C(=O)C(C(C)(C)C)NC(=O)OC4CCC
    C4)C(=O)NC5(CC5C=C)C(=O)NS(=O)(=O)C6(CC6
    )C    		 N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-{[7-methoxy-3-(propan-2-yl)quinoxalin-2-yl]oxy}-L-prolinamide
    20746
    FH5
    CHEMBL3087776
    ZINC000095921384    		 1 C17 H20 Cl N7 O InChI=1S/C17H20ClN7O/c1-9
    -12(8-24(3)23-9)16-21-14-
    15(13(18)6-19-17(14)22-16
    )25-5-4-11(7-25)20-10(2)2
    6/h6,8,11H,4-5,7H2,1-3H3,
    (H,20,26)(H,19,21,22)/t11
    -/m0/s1;
    XDTMWNUVKUHOQV-NSHDSACASA-N    		 Cn1cc(c(C)n1)c2[nH]c3ncc(Cl)c(N4CC[CH](C
    4)NC(C)=O)c3n2; Cn1cc(c(C)n1)c2[nH]c3ncc
    (Cl)c(N4CC[C@@H](C4)NC(C)=O)c3n2; O=C(NC
    4CCN(c1c2nc(nc2ncc1Cl)c3cn(nc3C)C)C4)C;
    Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4C
    CC(C4)NC(=O)C; Cc1c(cn(n1)C)c2[nH]c3c(n2
    )c(c(cn3)Cl)N4CC[C@@H](C4)NC(=O)C    		 (S)-N-(1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide
    20747
    FH6    		 1 C8 H14 N2 O2 S InChI=1S/C8H14N2O2S/c1-5-
    7(2-8(12)10-5)13-4-6(9)3-
    11/h3,5-7H,2,4,9H2,1H3,(H
    ,10,12)/t5-,6+,7+/m0/s1;
    DSBMZROJCWDNEG-RRKCRQDMSA-N    		 C[C@H]1[C@@H](CC(=O)N1)SC[C@@H](C=O)N; C
    [C@@H]1NC(=O)C[C@H]1SC[C@H](N)C=O; CC1C(
    CC(=O)N1)SCC(C=O)N; C[CH]1NC(=O)C[CH]1SC
    [CH](N)C=O    		 (2~{R})-2-azanyl-3-[(2~{S},3~{R})-2-methyl-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanal
    20748
    FH7
    ZINC000058631470    		 0 C6 H12 N2 O4 InChI=1S/C6H12N2O4/c7-5(6
    (10)11)2-1-3-8(12)4-9/h4-
    5,12H,1-3,7H2,(H,10,11)/t
    5-/m1/s1;
    KORLZEIJSHHTDW-RXMQYKEDSA-N    		 O=C(O)C(N)CCCN(O)C=O; C(C[C@H](C(=O)O)N)
    CN(C=O)O; N[CH](CCCN(O)C=O)C(O)=O; C(CC(
    C(=O)O)N)CN(C=O)O; N[C@H](CCCN(O)C=O)C(O
    )=O    		 N^5^-formyl-N^5^-hydroxy-D-ornithine
    20749
    FH8
    ZINC000022054130    		 0 C25 H23 N2 O5 InChI=1S/C25H22N2O5/c1-26
    (2)15-6-9-18-21(12-15)32-
    22-13-16(27(3)4)7-10-19(2
    2)23(18)17-8-5-14(24(28)2
    9)11-20(17)25(30)31/h5-13
    H,1-4H3,(H-,28,29,30,31)/
    p+1;
    YMZMTOFQCVHHFB-UHFFFAOYSA-O    		 CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4ccc(cc4C(O
    )=O)C(O)=O)=[N+](C)C)c1; CN(C)c1ccc2c(c1
    )OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)
    O)C(=O)O    		 5-carboxy methylrhodamine
    20750
    FH9
    CHEMBL3577332
    ZINC000230520268    		 1 C21 H40 N4 O4 InChI=1S/C21H40N4O4/c1-15
    (2)11-13-23-19(26)18(14-1
    6-8-4-3-5-9-16)25-21(29)2
    4-17(20(27)28)10-6-7-12-2
    2/h15-18H,3-14,22H2,1-2H3
    ,(H,23,26)(H,27,28)(H2,24
    ,25,29)/t17-,18+/m0/s1;
    PNONBGCPQRQQBB-ZWKOTPCHSA-N    		 CC(C)CCNC(=O)[CH](CC1CCCCC1)NC(=O)N[CH](
    CCCCN)C(O)=O; CC(C)CCNC(=O)[C@@H](CC1CCC
    CC1)NC(=O)N[C@@H](CCCCN)C(=O)O; CC(C)CCN
    C(=O)C(CC1CCCCC1)NC(=O)NC(CCCCN)C(=O)O;
    CC(C)CCNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@
    @H](CCCCN)C(O)=O    		 (2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid
    20751
    FHA
    ZINC000034624499    		 1 C11 H17 F N5 O11 P3 InChI=1S/C11H17FN5O11P3/c
    12-11(30(21,22)28-31(23,2
    4)25)29(19,20)26-2-6-5(18
    )1-7(27-6)17-4-16-8-9(13)
    14-3-15-10(8)17/h3-7,11,1
    8H,1-2H2,(H,19,20)(H,21,2
    2)(H2,13,14,15)(H2,23,24,
    25)/t5-,6+,7+,11-/m0/s1;
    HAJKJTDYTZCDDL-LLVCWYDASA-N    		 O=P(O)(O)OP(=O)(O)C(F)P(=O)(O)OCC3OC(n2c
    nc1c(ncnc12)N)CC3O; Nc1ncnc2n(cnc12)[CH]
    3C[CH](O)[CH](CO[P](O)(=O)[CH](F)[P](O)(
    =O)O[P](O)(O)=O)O3; Nc1ncnc2n(cnc12)[C@H
    ]3C[C@H](O)[C@@H](CO[P](O)(=O)[C@H](F)[P
    ](O)(=O)O[P](O)(O)=O)O3; c1nc(c2c(n1)n(c
    n2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)([C@
    H](F)[P@](=O)(O)OP(=O)(O)O)O)O)N; c1nc(c
    2c(n1)n(cn2)C3CC(C(O3)COP(=O)(C(F)P(=O)(
    O)OP(=O)(O)O)O)O)N    		 2'-deoxy-5'-O-[(S)-{(S)-fluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine
    20752
    FHB
    ZINC000000404062    		 17 C7 H5 F O3 InChI=1S/C7H5FO3/c8-5-3-4
    (7(10)11)1-2-6(5)9/h1-3,9
    H,(H,10,11);
    IUSDEKNMCOUBEE-UHFFFAOYSA-N    		 OC(=O)c1ccc(O)c(F)c1; Fc1cc(C(=O)O)ccc1O
    ; c1cc(c(cc1C(=O)O)F)O    		 3-FLUORO-4-HYDROXYBENZOIC ACID
    20753
    FHC
    DB02384    		 11 C9 H6 F O3 InChI=1S/C9H7FO3/c10-8(9(
    12)13)5-6-1-3-7(11)4-2-6/
    h1-5,11H,(H,12,13)/p-1/b8
    -5+;
    SBIZDOWXYPNTOJ-VMPITWQZSA-M    		 c1cc(ccc1\C=C(/C(=O)[O-])\F)O; [O-]C(=O)
    C(/F)=C\c1ccc(O)cc1; Oc1ccc(cc1)\C=C(F)/
    C([O-])=O; Oc1ccc(cc1)C=C(F)C([O-])=O; c
    1cc(ccc1C=C(C(=O)[O-])F)O    		 2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE;
    (E)-2-FLUORO-P-HYDROXYCINNAMATE
    20754
    FHD    		 1 C36 H49 Cl N6 O9 S InChI=1S/C36H49ClN6O9S/c1
    -8-10-11-16-51-33(47)40-2
    7(34(3,4)5)31(45)43-20-23
    (52-30-28(37)38-24-13-12-
    22(50-7)17-25(24)39-30)18
    -26(43)29(44)41-36(19-21(
    36)9-2)32(46)42-53(48,49)
    35(6)14-15-35/h9,12-13,17
    ,21,23,26-27H,2,8,10-11,1
    4-16,18-20H2,1,3-7H3,(H,4
    0,47)(H,41,44)(H,42,46)/t
    21-,23-,26+,27-,36-/m1/s1;
    GCSLYGDUYMRXAE-BTMIYQIWSA-N    		 C1(CC(CN1C(C(C(C)(C)C)NC(=O)OCCCCC)=O)Oc
    3c(nc2ccc(cc2n3)OC)Cl)C(NC4(C(/C=C)C4)C(
    NS(C5(CC5)C)(=O)=O)=O)=O; CCCCCOC(=O)NC(
    C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)
    (=O)C3(CC3)C)Oc4c(nc5ccc(cc5n4)OC)Cl)C(C
    )(C)C; CCCCCOC(=O)N[CH](C(=O)N1C[CH](C[C
    H]1C(=O)N[C]2(C[CH]2C=C)C(=O)N[S](=O)(=O
    )C3(C)CC3)Oc4nc5cc(OC)ccc5nc4Cl)C(C)(C)C
    ; CCCCCOC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H
    ]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O
    )C3(CC3)C)Oc4c(nc5ccc(cc5n4)OC)Cl)C(C)(C
    )C; CCCCCOC(=O)N[C@H](C(=O)N1C[C@@H](C[C
    @H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)N[S](=O
    )(=O)C3(C)CC3)Oc4nc5cc(OC)ccc5nc4Cl)C(C)
    (C)C    		 3-methyl-N-[(pentyloxy)carbonyl]-L-valyl-(4R)-4-[(3-chloro-7-methoxyquinoxalin-2-yl)oxy]-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-L-prolinamide
    20755
    FHE    		 0 C22 H20 N4 O7 InChI=1S/C22H20N4O7/c1-13
    (27)20(23)21-24-17(22(30)
    25(21)11-19(28)29)10-14-6
    -8-16(9-7-14)33-12-15-4-2
    -3-5-18(15)26(31)32/h2-10
    ,20H,11-12,23H2,1H3,(H,28
    ,29)/b17-10-/t20-/m0/s1;
    KREAIPAPYKOQTE-PSXSOWLISA-N    		 CC(=O)C(C1=NC(=Cc2ccc(cc2)OCc3ccccc3[N+]
    (=O)[O-])C(=O)N1CC(=O)O)N; CC(=O)[CH](N)
    C1=NC(=Cc2ccc(OCc3ccccc3[N+]([O-])=O)cc2
    )C(=O)N1CC(O)=O; CC(=O)[C@H](N)C1=NC(=C/
    c2ccc(OCc3ccccc3[N+]([O-])=O)cc2)\C(=O)N
    1CC(O)=O; CC(=O)[C@@H](C1=N/C(=C\c2ccc(c
    c2)OCc3ccccc3[N+](=O)[O-])/C(=O)N1CC(=O)
    O)N    		 2-[(4~{Z})-2-[(1~{R})-1-azanyl-2-oxidanylidene-propyl]-4-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
    20756
    FHF
    CHEMBL1643878
    ZINC000043154485    		 1 C19 H28 F N3 O4 InChI=1S/C19H28FN3O4/c1-4
    -5-8-14(11-23(27)12-24)18
    (25)17(13(2)3)22-19(26)21
    -16-10-7-6-9-15(16)20/h6-
    7,9-10,12-14,17,27H,4-5,8
    ,11H2,1-3H3,(H2,21,22,26)
    /t14-,17+/m1/s1;
    OWFALUNDSZEADU-PBHICJAKSA-N    		 CCCCC(CN(C=O)O)C(=O)C(C(C)C)NC(=O)Nc1ccc
    cc1F; O=C(Nc1ccccc1F)NC(C(=O)C(CCCC)CN(O
    )C=O)C(C)C; CCCC[C@H](CN(O)C=O)C(=O)[C@@
    H](NC(=O)Nc1ccccc1F)C(C)C; CCCC[C@H](CN(
    C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccccc1F;
    CCCC[CH](CN(O)C=O)C(=O)[CH](NC(=O)Nc1cc
    ccc1F)C(C)C    		 N-((2R,4S)-2-butyl-4-(3-(2-fluorophenyl)ureido)-5-methyl-3-oxohexyl)-N-hydroxyformamide
    20757
    FHG
    ZINC000098208885    		 1 C11 H17 F N5 O12 P3 InChI=1S/C11H17FN5O12P3/c
    12-10(30(20,21)22)31(23,2
    4)29-32(25,26)27-2-5-4(18
    )1-6(28-5)17-3-14-7-8(17)
    15-11(13)16-9(7)19/h3-6,1
    0,18H,1-2H2,(H,23,24)(H,2
    5,26)(H2,20,21,22)(H3,13,
    15,16,19)/t4-,5+,6+,10-/m
    0/s1;
    PVDLZOAYDIZEDJ-KQQCLRPBSA-N    		 O=P(O)(O)C(F)P(=O)(O)OP(=O)(O)OCC3OC(n2c
    nc1c2N=C(N)NC1=O)CC3O; c1nc2c(n1[C@H]3C[
    C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@@H](F
    )P(=O)(O)O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc
    2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O
    [P](O)(=O)[CH](F)[P](O)(O)=O)O3; c1nc2c(
    n1C3CC(C(O3)COP(=O)(O)OP(=O)(C(F)P(=O)(O
    )O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1
    )[C@H]3C[C@H](O)[C@@H](CO[P](O)(=O)O[P](
    O)(=O)[C@@H](F)[P](O)(O)=O)O3    		 2'-deoxy-5'-O-[(R)-{[(R)-[(S)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
    20758
    FHH    		 2 C14 H18 N2 O4 InChI=1S/C14H18N2O4/c1-20
    -12(17)6-3-7-15-13(18)10-
    8-9-4-2-5-11(9)16-14(10)1
    9/h8H,2-7H2,1H3,(H,15,18)
    (H,16,19);
    LFOKUSURFOQCKJ-UHFFFAOYSA-N    		 COC(=O)CCCNC(=O)C1=CC2=C(CCC2)NC1=O methyl 4-[(2-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)carbonylamino]butanoate
    20759
    FHI
    CHEMBL1232738
    ZINC000006453326    		 1 C13 H7 F2 I O3 InChI=1S/C13H7F2IO3/c14-7
    -1-2-8(10(15)5-7)6-3-9(13
    (18)19)12(17)11(16)4-6/h1
    -5,17H,(H,18,19);
    SSYOLLIRAAWGDJ-UHFFFAOYSA-N    		 c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)O; Ic
    2cc(c1ccc(F)cc1F)cc(C(=O)O)c2O; OC(=O)c1
    cc(cc(I)c1O)c2ccc(F)cc2F    		 2',4'-DIFLUORO-4-HYDROXY-5-IODO-1,1'-BIPHENYL-3-CARBOXYLIC ACID;
    IODODIFLUNISAL
    20760
    FHJ    		 1 C25 H27 N O5 InChI=1S/C25H27NO5/c1-16-
    9-11-17(12-10-16)15-20(26
    -18-7-5-4-6-8-18)25-14-13
    -19(31-25)21(23(27)29-2)2
    2(25)24(28)30-3/h4-14,19-
    22,26H,15H2,1-3H3/t19-,20
    +,21+,22-,25-/m1/s1;
    AOCBOTNEIQNHIY-OAKYZLIPSA-N    		 Cc1ccc(cc1)CC(C23C=CC(O2)C(C3C(=O)OC)C(=
    O)OC)Nc4ccccc4; Cc1ccc(cc1)C[C@@H]([C@@]
    23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)OC)C(=
    O)OC)Nc4ccccc4; COC(=O)[CH]1[CH]2O[C](C=
    C2)([CH](Cc3ccc(C)cc3)Nc4ccccc4)[CH]1C(=
    O)OC; COC(=O)[C@H]1[C@@H]2O[C@](C=C2)([C
    @H](Cc3ccc(C)cc3)Nc4ccccc4)[C@H]1C(=O)OC
    ; c1cc(ccc1)NC(C32C(C(=O)OC)C(C(O2)C=C3)
    C(=O)OC)Cc4ccc(cc4)C    		 dimethyl (1S,2S,3R,4R)-1-[(1S)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
    20761
    FHK    		 6 C21 H14 N2 O6 S InChI=1S/C21H14N2O6S/c24-
    19-17-3-1-2-4-18(17)20(25
    )23(19)15-9-11-16(12-10-1
    5)30(28,29)22-14-7-5-13(6
    -8-14)21(26)27/h1-12,22H,
    (H,26,27);
    KCHARURJHJMOQX-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)N(C2=O)c3ccc(cc3)S(=O)(=
    O)Nc4ccc(cc4)C(=O)O; OC(=O)c1ccc(N[S](=O
    )(=O)c2ccc(cc2)N3C(=O)c4ccccc4C3=O)cc1    		 4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid
    20762
    FHL
    ZINC000058633190    		 0 C11 H20 N2 O5 InChI=1S/C11H20N2O5/c12-9
    (11(17)18)3-1-2-6-13-8(7-
    14)4-5-10(15)16/h9,14H,1-
    7,12H2,(H,15,16)(H,17,18)
    /b13-8+/t9-/m0/s1;
    PTXADOKTUKJDDE-ITTMYVLYSA-N    		 N[C@@H](CCCCN=C(CO)CCC(O)=O)C(O)=O; C(CC
    /N=C(\CCC(=O)O)/CO)C[C@@H](C(=O)O)N; N[C
    H](CCCCN=C(CO)CCC(O)=O)C(O)=O; C(CCN=C(C
    CC(=O)O)CO)CC(C(=O)O)N; O=C(O)C(N)CCCC/N
    =C(/CO)CCC(=O)O    		 (E)-N~6~-[3-CARBOXY-1-(HYDROXYMETHYL)PROPYLIDENE]-L-LYSINE;
    2-AMINO-6-(3-CARBOXY-1-HYDROXYMETHYL-PROPYLIDENEAMINO)-HEXANOIC ACID
    20763
    FHM
    CHEMBL124718
    DB07769
    ZINC000003991694    		 3 C17 H14 F4 N2 O5 InChI=1S/C17H14F4N2O5/c1-
    16(25,9-28-12-5-2-10(18)3
    -6-12)15(24)22-11-4-7-14(
    23(26)27)13(8-11)17(19,20
    )21/h2-8,25H,9H2,1H3,(H,2
    2,24)/t16-/m0/s1;
    KJMFOTCDISOHDX-INIZCTEOSA-N    		 CC(COc1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(
    F)F)[N+](=O)[O-])O; C[C](O)(COc1ccc(F)cc
    1)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O
    ; C[C@](O)(COc1ccc(F)cc1)C(=O)Nc2ccc(c(c
    2)C(F)(F)F)[N+]([O-])=O; C[C@](COc1ccc(c
    c1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)
    [O-])O; FC(F)(F)c1cc(ccc1[N+]([O-])=O)NC
    (=O)C(O)(COc2ccc(F)cc2)C    		 S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
    20764
    FHN    		 2 C7 H16 N O5 InChI=1S/C7H15NO5/c9-1-3-
    5(11)7(13)6(12)4(2-10)8-3
    /h3-13H,1-2H2/p+1/t3-,4-,
    5+,6+/m0/s1;
    CLVUFWXGNIFGNC-UNTFVMJOSA-O    		 OC[CH]1[NH2+][CH](CO)[CH](O)[CH](O)[CH]1
    O; C([C@H]1[C@H](C([C@@H]([C@@H]([NH2+]1
    )CO)O)O)O)O; C(C1C(C(C(C([NH2+]1)CO)O)O)
    O)O; OC[C@@H]1[NH2+][C@@H](CO)[C@@H](O)[
    C@H](O)[C@@H]1O; OC1C(CO)[NH2+]C(C(O)C1O
    )CO    		 (2S,3R,5R,6S)-3,4,5-TRIHYDROXY-2,6-BIS(HYDROXYMETHYL)PIPERIDINIUM
    20765
    FHO
    ZINC000058633193    		 0 C6 H12 N2 O4 InChI=1S/C6H12N2O4/c7-5(6
    (10)11)2-1-3-8(12)4-9/h4-
    5,12H,1-3,7H2,(H,10,11)/t
    5-/m0/s1;
    KORLZEIJSHHTDW-YFKPBYRVSA-N    		 O=C(O)C(N)CCCN(O)C=O; N[CH](CCCN(O)C=O)C
    (O)=O; C(C[C@@H](C(=O)O)N)CN(C=O)O; N[C@
    @H](CCCN(O)C=O)C(O)=O; C(CC(C(=O)O)N)CN(
    C=O)O    		 N^5^-FORMYL-N^5^-HYDROXY-L-ORNITHINE
    20766
    FHP
    ZINC000001535663    		 4 C15 H27 O4 P InChI=1S/C15H27O4P/c1-12(
    2)7-5-8-13(3)9-6-10-14(4)
    11-15(16)20(17,18)19/h7,9
    ,11,15-16H,5-6,8,10H2,1-4
    H3,(H2,17,18,19)/b13-9+,1
    4-11+/t15-/m1/s1;
    MONZTFSZTWQCKH-UBHHKXJDSA-N    		 CC(=CCC/C(=C/CC/C(=C/[C@H](O)P(=O)(O)O)/
    C)/C)C; CC(C)=CCC/C(C)=C/CC/C(C)=C/[C@H]
    (O)[P](O)(O)=O; CC(=CCCC(=CCCC(=CC(O)P(=
    O)(O)O)C)C)C; CC(C)=CCCC(C)=CCCC(C)=C[CH
    ](O)[P](O)(O)=O; O=P(O)(O)C(O)/C=C(/CC\C
    =C(/C)CC\C=C(/C)C)C    		 1-HYDROXY-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENE PHOSPHONIC ACID;
    FARNESYL HYDROXYPHOSPHONATE
    20767
    FHQ
    ZINC000006557364    		 2 C10 H9 Br N6 O InChI=1S/C10H9BrN6O/c11-8
    -3-1-7(2-4-8)6-12-15-10(1
    8)5-9-13-16-17-14-9/h1-4,
    6H,5H2,(H,15,18)(H,13,14,
    16,17)/b12-6+;
    JWJFYTRXLSOUEZ-WUXMJOGZSA-N    		 Brc1ccc(cc1)C=NNC(=O)Cc2n[nH]nn2; c1cc(c
    cc1C=NNC(=O)Cc2n[nH]nn2)Br; Brc1ccc(cc1)
    /C=N/NC(=O)Cc2n[nH]nn2; c1cc(ccc1/C=N/NC
    (=O)Cc2n[nH]nn2)Br    		 ~{N}-[(~{E})-(4-bromophenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide
    20768
    FHR
    CHEMBL4796938    		 14 C25 H32 N4 O4 InChI=1S/C25H32N4O4/c30-1
    5-19(13-18-10-11-26-23(18
    )31)27-24(32)21(12-16-6-2
    -1-3-7-16)29-25(33)22-14-
    17-8-4-5-9-20(17)28-22/h4
    -5,8-9,14-16,18-19,21,28H
    ,1-3,6-7,10-13H2,(H,26,31
    )(H,27,32)(H,29,33)/t18-,
    19-,21-/m0/s1;
    HPKJGHVHQWJOOT-ZJOUEHCJSA-N    		 c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H](CC3CCCC
    C3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O; O=C
    [CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CCCCC2)
    NC(=O)c3[nH]c4ccccc4c3; c1ccc2c(c1)cc([n
    H]2)C(=O)NC(CC3CCCCC3)C(=O)NC(CC4CCNC4=O
    )C=O; O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@
    H](CC2CCCCC2)NC(=O)c3[nH]c4ccccc4c3    		 ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
    20769
    FHS    		 3 C30 H44 N4 O9 S InChI=1S/C30H44N4O9S/c1-1
    9(2)14-23(27(37)32-24(28(
    38)44(40,41)42)16-21-8-11
    -31-26(21)36)33-29(39)43-
    22-17-30(18-22)9-12-34(13
    -10-30)25(35)15-20-6-4-3-
    5-7-20/h3-7,19,21-24,28,3
    8H,8-18H2,1-2H3,(H,31,36)
    (H,32,37)(H,33,39)(H,40,4
    1,42)/t21-,23-,24-,28-/m0
    /s1;
    YKVWDIALSLITCN-GLIKCIFVSA-N    		 CC(C)C[C@H](NC(=O)OC1CC2(CCN(CC2)C(=O)Cc
    3ccccc3)C1)C(=O)N[C@@H](C[C@@H]4CCNC4=O)
    [C@@H](O)[S](O)(=O)=O; O=C1NCCC1CC(NC(=O
    )C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)Cc2c
    cccc2)C1)C(O)S(=O)(=O)O; CC(C)C[C@@H](C(
    =O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)
    O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)Cc4ccccc4
    ; CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=
    O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)Cc4cccc
    c4; CC(C)C[CH](NC(=O)OC1CC2(CCN(CC2)C(=O
    )Cc3ccccc3)C1)C(=O)N[CH](C[CH]4CCNC4=O)[
    CH](O)[S](O)(=O)=O    		 (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
    20770
    FHT    		 1 C10 H11 Br N7 O2 InChI=1S/C10H10BrN7O2/c11
    -6-3-1-5(2-4-6)9(19)13-7(
    10(20)14-12)8-15-17-18-16
    -8/h1-4,7H,12H2,(H,13,19)
    (H,14,20)(H,15,16,17,18)/
    p+1/t7-/m1/s1;
    UZGSPOKOIKICEW-SSDOTTSWSA-O    		 c1cc(ccc1C(=O)N[C@H](c2n[nH]nn2)C(=O)N[N
    H3+])Br; c1cc(ccc1C(=O)NC(c2n[nH]nn2)C(=
    O)N[NH3+])Br; [NH3+]NC(=O)[CH](NC(=O)c1c
    cc(Br)cc1)c2n[nH]nn2; [NH3+]NC(=O)[C@H](
    NC(=O)c1ccc(Br)cc1)c2n[nH]nn2    		 [[(2~{R})-2-[(4-bromophenyl)carbonylamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium
    20771
    FHU
    ZINC000058633485    		 0 C9 H14 F N2 O10 P InChI=1S/C9H14FN2O10P/c10
    -9(6(15)11-8(17)12-7(9)16
    )5-4(14)3(13)2(22-5)1-21-
    23(18,19)20/h2-6,13-15H,1
    H2,(H2,18,19,20)(H2,11,12
    ,16,17)/t2-,3-,4-,5-,6-,9
    +/m1/s1;
    MDODZQNHCLANBT-ZTZBTGHISA-N    		 O[C@H]1NC(=O)NC(=O)[C@]1(F)[C@@H]2O[C@H]
    (CO[P](O)(O)=O)[C@@H](O)[C@H]2O; O=P(OCC
    1OC(C(O)C1O)C2(F)C(=O)NC(=O)NC2O)(O)O; O
    [CH]1NC(=O)NC(=O)[C]1(F)[CH]2O[CH](CO[P]
    (O)(O)=O)[CH](O)[CH]2O; C([C@@H]1[C@H]([
    C@H]([C@@H](O1)[C@@]2([C@H](NC(=O)NC2=O)
    O)F)O)O)OP(=O)(O)O; C(C1C(C(C(O1)C2(C(NC
    (=O)NC2=O)O)F)O)O)OP(=O)(O)O    		 (5S,6R)-5-FLUORO-6-HYDROXY-PSEUDOURIDINE-5'-MONOPHOSPHATE
    20772
    FHV
    CHEMBL1445271
    ZINC000004840665    		 1 C12 H16 N2 O InChI=1S/C12H16N2O/c1-10-
    5-4-6-11(9-10)13-12(15)14
    -7-2-3-8-14/h4-6,9H,2-3,7
    -8H2,1H3,(H,13,15);
    GBAXIZXGDZHLTH-UHFFFAOYSA-N    		 O=C(Nc1cc(ccc1)C)N2CCCC2; Cc1cccc(c1)NC(
    =O)N2CCCC2; Cc1cccc(NC(=O)N2CCCC2)c1    		 N-(3-METHYLPHENYL)PYRROLIDINE-1-CARBOXAMIDE
    20773
    FHW    		 1 C10 H12 N6 O InChI=1S/C10H12N6O/c11-12
    -10(17)8(9-13-15-16-14-9)
    6-7-4-2-1-3-5-7/h1-5,8H,6
    ,11H2,(H,12,17)(H,13,14,1
    5,16)/t8-/m1/s1;
    SGFUQCKYWZCXFN-MRVPVSSYSA-N    		 NNC(=O)[C@H](Cc1ccccc1)c2n[nH]nn2; c1ccc
    (cc1)CC(c2n[nH]nn2)C(=O)NN; NNC(=O)[CH](
    Cc1ccccc1)c2n[nH]nn2; c1ccc(cc1)C[C@H](c
    2n[nH]nn2)C(=O)NN    		 (2~{R})-3-phenyl-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide
    20774
    FHX
    CHEMBL4297507
    DB16133
    ZINC000117625213    		 1 C16 H18 N6 O InChI=1S/C16H18N6O/c1-11-
    8-22(13(23)2-5-17)16(11)4
    -7-21(9-16)15-12-3-6-18-1
    4(12)19-10-20-15/h3,6,10-
    11H,2,4,7-9H2,1H3,(H,18,1
    9,20)/t11-,16-/m0/s1;
    LOWWYYZBZNSPDT-ZBEGNZNMSA-N    		 C[C@H]1CN(C(=O)CC#N)[C@]12CCN(C2)c3ncnc4
    [nH]ccc34; CC1CN(C12CCN(C2)c3c4cc[nH]c4n
    cn3)C(=O)CC#N; C[CH]1CN(C(=O)CC#N)[C]12C
    CN(C2)c3ncnc4[nH]ccc34; C[C@H]1CN([C@]12
    CCN(C2)c3c4cc[nH]c4ncn3)C(=O)CC#N    		 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile
    20775
    FHY    		 2 C20 H32 N2 O13 InChI=1S/C20H32N2O13/c1-7
    (24)21-11-14(27)13(26)9(5
    -23)32-18(11)34-16-12(22-
    8(2)25)17(30-4)33-10-6-31
    -20(3,19(28)29)35-15(10)1
    6/h9-18,23,26-27H,5-6H2,1
    -4H3,(H,21,24)(H,22,25)(H
    ,28,29)/t9-,10-,11-,12+,1
    3-,14-,15-,16-,17-,18+,20
    +/m1/s1;
    HMXWDMHKOICGNH-MYXXRMNRSA-N    		 CO[CH]1O[CH]2CO[C](C)(O[CH]2[CH](O[CH]3O
    [CH](CO)[CH](O)[CH](O)[CH]3NC(C)=O)[CH]1
    NC(C)=O)C(O)=O; CC(=O)NC2C(OC)OC1COC(OC1
    C2OC3OC(CO)C(C(C3NC(C)=O)O)O)(C)C(O)=O;
    CC(=O)NC1C(C(C(OC1OC2C(C(OC3C2OC(OC3)(C)
    C(=O)O)OC)NC(=O)C)CO)O)O; CC(=O)N[C@@H]1
    [C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@@H]
    ([C@@H](O[C@H]3[C@H]2O[C@@](OC3)(C)C(=O)
    O)OC)NC(=O)C)CO)O)O; CO[C@@H]1O[C@@H]2CO
    [C@@](C)(O[C@H]2[C@H](O[C@@H]3O[C@H](CO)
    [C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H]1NC
    (C)=O)C(O)=O    		 (2S,4aR,6R,7S,8R,8aS)-7-(acetylamino)-6-({2-(acetylamino)-3-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-4,6-O-[(1S)-1-carboxylic acidethylidene]-2-deoxy-beta-D-mannopyranosyl}oxy)-8-{[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy}-2-methylhexahydro-2H-pyrano[3,2-d][1,3]dioxine-2-carboxylic acid
    20776
    FHZ    		 1 C11 H14 N6 O2 InChI=1S/C11H14N6O2/c1-19
    -8-4-2-7(3-5-8)6-9(11(18)
    13-12)10-14-16-17-15-10/h
    2-5,9H,6,12H2,1H3,(H,13,1
    8)(H,14,15,16,17)/t9-/m1/
    s1;
    OKIHHJXQEJHBAW-SECBINFHSA-N    		 COc1ccc(C[C@@H](C(=O)NN)c2n[nH]nn2)cc1;
    COc1ccc(cc1)CC(c2n[nH]nn2)C(=O)NN; COc1c
    cc(C[CH](C(=O)NN)c2n[nH]nn2)cc1; COc1ccc
    (cc1)C[C@H](c2n[nH]nn2)C(=O)NN    		 (2~{R})-3-(4-methoxyphenyl)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide
    20777
    FI0
    ZINC000098208886    		 0 C15 H26 N2 O InChI=1S/C15H26N2O/c1-3-1
    2(2)10-17-11-15(18)14(16)
    9-13-7-5-4-6-8-13/h4-8,12
    ,14-15,17-18H,3,9-11,16H2
    ,1-2H3/t12-,14-,15+/m0/s1;
    BCCHGVZYNCKDJB-AEGPPILISA-N    		 OC(C(N)Cc1ccccc1)CNCC(C)CC; CC[C@H](C)CN
    C[C@H]([C@H](Cc1ccccc1)N)O; CC[C@H](C)CN
    C[C@@H](O)[C@@H](N)Cc1ccccc1; CCC(C)CNCC
    (C(Cc1ccccc1)N)O; CC[CH](C)CNC[CH](O)[CH
    ](N)Cc1ccccc1    		 (2R,3S)-3-amino-1-{[(2S)-2-methylbutyl]amino}-4-phenylbutan-2-ol
    20778
    FI1
    CHEMBL1923468
    ZINC000073196564    		 1 C28 H29 Cl N4 O5 S InChI=1S/C28H29ClN4O5S/c2
    9-22-8-6-20-13-23(9-7-19(
    20)12-22)39(37,38)30-24-3
    -2-10-31(28(24)36)17-27(3
    5)32-14-18-11-21(16-32)25
    -4-1-5-26(34)33(25)15-18/
    h1,4-9,12-13,18,21,24,30H
    ,2-3,10-11,14-17H2/t18-,2
    1+,24-/m0/s1;
    FLGSVBQCPOVGER-VNZMSGEBSA-N    		 c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)NC3CCCN(C3=
    O)CC(=O)N4CC5CC(C4)C6=CC=CC(=O)N6C5; Clc
    1ccc2cc(ccc2c1)[S](=O)(=O)N[CH]3CCCN(CC(
    =O)N4C[CH]5C[CH](C4)C6=CC=CC(=O)N6C5)C3=
    O; Clc2ccc1cc(ccc1c2)S(=O)(=O)NC3C(=O)N(
    CCC3)CC(=O)N6CC5CN4C(=O)C=CC=C4C(C5)C6;
    c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCCN
    (C3=O)CC(=O)N4C[C@@H]5C[C@H](C4)C6=CC=CC
    (=O)N6C5; Clc1ccc2cc(ccc2c1)[S](=O)(=O)N
    [C@H]3CCCN(CC(=O)N4C[C@@H]5C[C@H](C4)C6=
    CC=CC(=O)N6C5)C3=O    		 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide
    20779
    FI3
    ZINC000263620615    		 2 C34 H38 Cl2 N8 O4 InChI=1S/C34H38Cl2N8O4/c1
    -5-30(45)40-24-8-6-22(7-9
    -24)20-44(34(46)41-33-31(
    35)26(47-3)18-27(48-4)32(
    33)36)29-19-28(37-21-38-2
    9)39-23-10-12-25(13-11-23
    )43-16-14-42(2)15-17-43/h
    6-13,18-19,21H,5,14-17,20
    H2,1-4H3,(H,40,45)(H,41,4
    6)(H,37,38,39);
    JQGSJUDIVJFQRL-UHFFFAOYSA-N    		 Clc1c(OC)cc(OC)c(Cl)c1NC(=O)N(c2ncnc(c2)
    Nc3ccc(cc3)N4CCN(C)CC4)Cc5ccc(NC(=O)CC)c
    c5; CCC(=O)Nc1ccc(cc1)CN(c2cc(ncn2)Nc3cc
    c(cc3)N4CCN(CC4)C)C(=O)Nc5c(c(cc(c5Cl)OC
    )OC)Cl; CCC(=O)Nc1ccc(CN(C(=O)Nc2c(Cl)c(
    OC)cc(OC)c2Cl)c3cc(Nc4ccc(cc4)N5CCN(C)CC
    5)ncn3)cc1    		 N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide
    20780
    FI4
    ZINC000058631472    		 1 C20 H16 Cl F2 N5 O2 InChI=1S/C20H16ClF2N5O2/c
    1-10(29)9-24-18-16-17(12-
    4-2-3-5-13(12)21)27-28-19
    (16)26-20(25-18)30-15-7-6
    -11(22)8-14(15)23/h2-8,10
    ,29H,9H2,1H3,(H2,24,25,26
    ,27,28)/t10-/m0/s1;
    ULOWCFSJXCABBL-JTQLQIEISA-N    		 C[C@H](O)CNc1nc(Oc2ccc(F)cc2F)nc3[nH]nc(
    c4ccccc4Cl)c13; C[CH](O)CNc1nc(Oc2ccc(F)
    cc2F)nc3[nH]nc(c4ccccc4Cl)c13; Fc4ccc(Oc
    1nc2c(c(n1)NCC(O)C)c(nn2)c3ccccc3Cl)c(F)
    c4; CC(CNc1c2c(n[nH]c2nc(n1)Oc3ccc(cc3F)
    F)c4ccccc4Cl)O; C[C@@H](CNc1c2c(n[nH]c2n
    c(n1)Oc3ccc(cc3F)F)c4ccccc4Cl)O    		 (2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol
    20781
    FI5
    CHEMBL4575911
    ZINC000051865451    		 1 C11 H15 N3 O2 InChI=1S/C11H15N3O2/c12-1
    1(15)10-7-9(3-6-14-10)16-
    8-1-4-13-5-2-8/h3,6-8,13H
    ,1-2,4-5H2,(H2,12,15);
    NMMFHPWVBDVMFL-UHFFFAOYSA-N    		 NC(=O)c1cc(OC2CCNCC2)ccn1; c1cnc(cc1OC2C
    CNCC2)C(=O)N    		 4-piperidin-4-yloxypyridine-2-carboxamide
    20782
    FI6
    CHEMBL397983
    ZINC000003842037    		 1 C32 H28 F3 N5 O4 InChI=1S/C32H28F3N5O4/c1-
    3-43-25-14-10-24(11-15-25
    )40-30(38-29-27(31(40)42)
    7-5-17-37-29)21(2)39(20-2
    3-6-4-16-36-19-23)28(41)1
    8-22-8-12-26(13-9-22)44-3
    2(33,34)35/h4-17,19,21H,3
    ,18,20H2,1-2H3/t21-/m1/s1;
    WQTKNBPCJKRYPA-OAQYLSRUSA-N    		 CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[CH](C)N
    (Cc4cccnc4)C(=O)Cc5ccc(OC(F)(F)F)cc5; CC
    Oc1ccc(cc1)N2C(=O)c3cccnc3N=C2C(C)N(Cc4c
    ccnc4)C(=O)Cc5ccc(cc5)OC(F)(F)F; CCOc1cc
    c(cc1)N2C(=O)c3cccnc3N=C2[C@@H](C)N(Cc4c
    ccnc4)C(=O)Cc5ccc(OC(F)(F)F)cc5; CCOc1cc
    c(cc1)N2C(=O)c3cccnc3N=C2[C@@H](C)N(Cc4c
    ccnc4)C(=O)Cc5ccc(cc5)OC(F)(F)F    		 N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide;
    (+/-)-AMG 487
    20783
    FI7
    CHEMBL1086657
    ZINC000034853422    		 7 C19 H22 N4 O5 InChI=1S/C19H22N4O5/c1-19
    (2,18(27)21-13-6-4-3-5-12
    (13)17(25)26)9-15-22-16(2
    3-28-15)14-8-7-11(24)10-2
    0-14/h7-8,10,24H,3-6,9H2,
    1-2H3,(H,21,27)(H,25,26);
    CJHXBFSJXDUJHP-UHFFFAOYSA-N    		 CC(C)(Cc1onc(n1)c2ccc(O)cn2)C(=O)NC3=C(C
    CCC3)C(O)=O; CC(C)(Cc1nc(no1)c2ccc(cn2)O
    )C(=O)NC3=C(CCCC3)C(=O)O    		 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid
    20784
    FI8
    CHEMBL1255800
    DB08874    		 10 C52 H74 Cl2 O18 InChI=1S/C52H74Cl2O18/c1-
    13-30-22-26(6)33(56)18-16
    -15-17-31(23-66-51-45(65-
    12)42(61)44(29(9)67-51)69
    -49(64)35-32(14-2)36(53)3
    9(58)37(54)38(35)57)48(63
    )68-34(28(8)55)20-19-25(5
    )21-27(7)43(30)70-50-41(6
    0)40(59)46(52(10,11)72-50
    )71-47(62)24(3)4/h15-17,1
    9,21-22,24,28-30,33-34,40
    -46,50-51,55-61H,13-14,18
    ,20,23H2,1-12H3/b16-15+,2
    5-19+,26-22+,27-21+,31-17
    +/t28-,29-,30+,33+,34+,40
    -,41+,42+,43+,44-,45+,46+
    ,50-,51-/m1/s1;
    ZVGNESXIJDCBKN-UUEYKCAUSA-N    		 CCc1c(c(c(c(c1Cl)O)Cl)O)C(=O)O[C@@H]2[C@
    H](O[C@H]([C@H]([C@H]2O)OC)OC/C/3=C\C=C\
    C[C@@H](/C(=C/[C@@H]([C@H](/C(=C/C(=C/C[
    C@H](OC3=O)[C@@H](C)O)/C)/C)O[C@H]4[C@H]
    ([C@H]([C@@H](C(O4)(C)C)OC(=O)C(C)C)O)O)
    CC)/C)O)C; CC[C@H]1\C=C(/C)[C@@H](O)C\C=
    C\C=C(/CO[C@@H]2O[C@H](C)[C@@H](OC(=O)c3
    c(O)c(Cl)c(O)c(Cl)c3CC)[C@H](O)[C@@H]2OC
    )C(=O)O[C@@H](C/C=C(C)/C=C(C)/[C@@H]1O[C
    @@H]4OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)
    [C@@H]4O)[C@@H](C)O; CCc1c(c(c(c(c1Cl)O)
    Cl)O)C(=O)OC2C(OC(C(C2O)OC)OCC3=CC=CCC(C
    (=CC(C(C(=CC(=CCC(OC3=O)C(C)O)C)C)OC4C(C
    (C(C(O4)(C)C)OC(=O)C(C)C)O)O)CC)C)O)C; C
    C[CH]1C=C(C)[CH](O)CC=CC=C(CO[CH]2O[CH](
    C)[CH](OC(=O)c3c(O)c(Cl)c(O)c(Cl)c3CC)[C
    H](O)[CH]2OC)C(=O)O[CH](CC=C(C)C=C(C)[CH
    ]1O[CH]4OC(C)(C)[CH](OC(=O)C(C)C)[CH](O)
    [CH]4O)[CH](C)O    		 Fidaxomicin
    20785
    FI9
    CHEMBL5203226
    ZINC000036753452    		 1 C11 H15 N3 O2 InChI=1S/C11H15N3O2/c12-9
    -3-5-14(6-4-9)11(16)8-1-2
    -10(15)13-7-8/h1-2,7,9H,3
    -6,12H2,(H,13,15);
    PBJCAAQZCVURJN-UHFFFAOYSA-N    		 NC1CCN(CC1)C(=O)C2=CNC(=O)C=C2; C1CN(CCC
    1N)C(=O)C2=CNC(=O)C=C2    		 5-(4-azanylpiperidin-1-yl)carbonyl-1~{H}-pyridin-2-one
    20786
    FIB    		 0 C6 F5 I InChI=1/C6F5I/c7-1-2(8)4(
    10)6(12)5(11)3(1)9;
    OPYHNLNYCRZOGY-UHFFFAOYAM    		 Fc1c(F)c(F)c(F)c(I)c1F; c1(c(c(c(c(c1F)F
    )I)F)F)F; Fc1c(F)c(F)c(I)c(F)c1F    		 1,2,3,4,5-pentafluoro-6-iodobenzene
    20787
    FIC
    CHEMBL23507
    ZINC000000083028    		 7 C9 H6 F N O2 InChI=1S/C9H6FNO2/c10-6-1
    -2-7-5(3-6)4-8(11-7)9(12)
    13/h1-4,11H,(H,12,13);
    WTXBRZCVLDTWLP-UHFFFAOYSA-N    		 c1cc2c(cc1F)cc([nH]2)C(=O)O; OC(=O)c1[nH
    ]c2ccc(F)cc2c1; Fc1cc2c(cc1)nc(c2)C(=O)O    		 5-fluoroindole-2-carboxylic acid
    20788
    FID
    CHEMBL84446
    DB02021
    ZINC000003789766    		 12 C12 H10 F N3 O4 InChI=1S/C12H10FN3O4/c13-
    5-1-2-7-6(3-5)12(4-8(20-7
    )9(14)17)10(18)15-11(19)1
    6-12/h1-3,8H,4H2,(H2,14,1
    7)(H2,15,16,18,19)/t8-,12
    -/m0/s1;
    WAAPEIZFCHNLKK-UFBFGSQYSA-N    		 Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3;
    c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=
    O)NC(=O)N3; c1cc2c(cc1F)C3(CC(O2)C(=O)N)
    C(=O)NC(=O)N3; NC(=O)[CH]1C[C]2(NC(=O)NC
    2=O)c3cc(F)ccc3O1; NC(=O)[C@@H]1C[C@]2(N
    C(=O)NC2=O)c3cc(F)ccc3O1    		 (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE;
    FIDARESTAT
    20789
    FIE    		 2 C24 H22 Cl F N4 O3 S InChI=1S/C24H22ClFN4O3S/c
    25-21-13-19(28-34(26,32)3
    0-14-18-7-4-10-27-22(18)1
    5-30)8-9-20(21)24(31)29-1
    1-12-33-23(16-29)17-5-2-1
    -3-6-17/h1-10,13,23H,11-1
    2,14-16H2/t23-,34-/m1/s1;
    PGHSSRGHLFIKLE-GRMGDBHTSA-N    		 c1ccc(cc1)[C@H]2CN(CCO2)C(=O)c3ccc(cc3Cl
    )N=[S@@](=O)(N4Cc5cccnc5C4)F; F[S](=O)(=
    Nc1ccc(c(Cl)c1)C(=O)N2CCO[CH](C2)c3ccccc
    3)N4Cc5cccnc5C4; F[S@@](=O)(=Nc1ccc(c(Cl
    )c1)C(=O)N2CCO[C@H](C2)c3ccccc3)N4Cc5ccc
    nc5C4; O=C(N1CC(OCC1)c1ccccc1)c1ccc(N=S(
    F)(=O)N2Cc3cccnc3C2)cc1Cl; c1ccc(cc1)C2C
    N(CCO2)C(=O)c3ccc(cc3Cl)N=S(=O)(N4Cc5ccc
    nc5C4)F    		 (S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride
    20790
    FIF
    ZINC000095921357    		 2 C6 H9 F O5 InChI=1S/C6H9FO5/c7-2-1-1
    2-5(6(10)11)4(9)3(2)8/h2-
    5,8-9H,1H2,(H,10,11)/t2-,
    3+,4-,5+/m0/s1;
    KRAJNEOUENOZDR-SKNVOMKLSA-N    		 O[CH]1[CH](F)CO[CH]([CH]1O)C(O)=O; FC1C(
    O)C(O)C(OC1)C(=O)O; O[C@@H]1[C@@H](F)CO[
    C@H]([C@H]1O)C(O)=O; C1C(C(C(C(O1)C(=O)O
    )O)O)F; C1[C@@H]([C@H]([C@@H]([C@@H](O1)
    C(=O)O)O)O)F    		 2,6-anhydro-5-deoxy-5-fluoro-L-idonic acid;
    2-deoxy-2-fluoro-alpha-L-idopyranuronosyl fluoride, bound form
    20791
    FIG
    CHEMBL5081435    		 1 C13 H10 N2 O4 S InChI=1S/C13H10N2O4S/c16-
    10(8-4-2-1-3-5-8)7-20-13-
    14-6-9(12(18)19)11(17)15-
    13/h1-6H,7H2,(H,18,19)(H,
    14,15,17);
    NAHGGWKCMVAKPT-UHFFFAOYSA-N    		 c1ccc(cc1)C(=O)CSC2=NC=C(C(=O)N2)C(=O)O;
    C(SC1=NC=C(C(O)=O)C(N1)=O)C(=O)c2ccccc2
    ; OC(=O)C1=CN=C(NC1=O)SCC(=O)c2ccccc2    		 6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carboxylic acid
    20792
    FIH
    DB07770
    ZINC000016051917    		 2 C18 H14 F N O4 S2 InChI=1S/C18H14FNO4S2/c1-
    11-2-8-14(9-3-11)26(23,24
    )20-15-10-16(25-17(15)18(
    21)22)12-4-6-13(19)7-5-12
    /h2-10,20H,1H3,(H,21,22);
    DJPFUQBNQLKCAB-UHFFFAOYSA-N    		 Cc1ccc(cc1)[S](=O)(=O)Nc2cc(sc2C(O)=O)c3
    ccc(F)cc3; Cc1ccc(cc1)S(=O)(=O)Nc2cc(sc2
    C(=O)O)c3ccc(cc3)F; O=C(O)c2sc(cc2NS(=O)
    (=O)c1ccc(cc1)C)c3ccc(F)cc3    		 5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID;
    5-(4-FLUOROPHENYL)-3-(TOSYLAMINO)THIOPHENE-2-CARBOXYLIC ACI
    20793
    FII
    DB07771
    ZINC000002046984    		 15 C17 H30 N O5 P InChI=1S/C17H30NO5P/c1-14
    (2)7-5-8-15(3)9-6-10-16(4
    )11-12-23-18-17(19)13-24(
    20,21)22/h7,9,11H,5-6,8,1
    0,12-13H2,1-4H3,(H,18,19)
    (H2,20,21,22)/b15-9+,16-1
    1+;
    JAOBYUCYSAOLHS-XGGJEREUSA-N    		 O=C(NOC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)CP(
    =O)(O)O; CC(=CCCC(=CCCC(=CCONC(=O)CP(=O)
    (O)O)C)C)C; CC(=CCC/C(=C/CC/C(=C/CONC(=O
    )CP(=O)(O)O)/C)/C)C; CC(C)=CCC\C(C)=C\CC
    \C(C)=C\CONC(=O)C[P](O)(O)=O; CC(C)=CCCC
    (C)=CCCC(C)=CCONC(=O)C[P](O)(O)=O    		 [(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID;
    FPP ANALOG
    20794
    FIJ
    ZINC000001440847    		 1 C18 H18 Cl2 O4 InChI=1S/C18H18Cl2O4/c1-1
    7(2)8-18(3,9-4-11(19)14(2
    2)6-13(9)21)24-16-7-15(23
    )12(20)5-10(16)17/h4-7,21
    -23H,8H2,1-3H3/t18-/m0/s1;
    VSHLILKLIDPGCI-SFHVURJKSA-N    		 CC1(CC(Oc2c1cc(c(c2)O)Cl)(C)c3cc(c(cc3O)
    O)Cl)C; CC1(C)C[C@](C)(Oc2cc(O)c(Cl)cc12
    )c3cc(Cl)c(O)cc3O; C[C@]1(CC(c2cc(c(cc2O
    1)O)Cl)(C)C)c3cc(c(cc3O)O)Cl; CC1(C)C[C]
    (C)(Oc2cc(O)c(Cl)cc12)c3cc(Cl)c(O)cc3O    		 4-chloranyl-6-[(2~{S})-6-chloranyl-2,4,4-trimethyl-7-oxidanyl-3~{H}-chromen-2-yl]benzene-1,3-diol
    20795
    FIK    		 2 C24 H40 N4 O9 S InChI=1S/C24H40N4O9S/c1-1
    3(2)7-17(20(30)26-18(22(3
    2)38(34,35)36)8-15-5-6-25
    -19(15)29)27-23(33)37-16-
    9-24(10-16)11-28(12-24)21
    (31)14(3)4/h13-18,22,32H,
    5-12H2,1-4H3,(H,25,29)(H,
    26,30)(H,27,33)(H,34,35,3
    6)/t15-,17-,18-,22-/m0/s1;
    HTJCLKWRDFEDBR-JVGYHMDPSA-N    		 O=C(C(C)C)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(
    =O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1; CC(C
    )C[C@H](NC(=O)OC1CC2(C1)CN(C2)C(=O)C(C)C
    )C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](O)[
    S](O)(=O)=O; CC(C)CC(C(=O)NC(CC1CCNC1=O)
    C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=
    O)C(C)C; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@
    H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2
    CC3(C2)CN(C3)C(=O)C(C)C; CC(C)C[CH](NC(=
    O)OC1CC2(C1)CN(C2)C(=O)C(C)C)C(=O)N[CH](
    C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O    		 (1S,2S)-2-[(N-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    20796
    FIL
    CHEMBL590754
    DB02660
    ZINC000000000308    		 2 C15 H20 N2 O4 InChI=1S/C15H20N2O4/c1-10
    (17-21-15(16)18)11-7-8-13
    (19-2)14(9-11)20-12-5-3-4
    -6-12/h7-9,12H,3-6H2,1-2H
    3,(H2,16,18)/b17-10+;
    STTRYQAGHGJXJJ-LICLKQGHSA-N    		 CC(=NOC(=O)N)c1ccc(c(c1)OC2CCCC2)OC; COc
    1ccc(cc1OC2CCCC2)C(C)=NOC(N)=O; C/C(=N\O
    C(=O)N)/c1ccc(c(c1)OC2CCCC2)OC; COc1ccc(
    cc1OC2CCCC2)C(/C)=N/OC(N)=O    		 (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-(AMINOCARBONYL)OXIME;
    FILAMINAST
    20797
    FIN
    CHEMBL202932
    DB07772
    ZINC000013680267    		 1 C17 H22 N O6 P S InChI=1S/C17H22NO6PS/c1-1
    2(2)17(25(19,20)21)18-26(
    22,23)16-10-6-14(7-11-16)
    13-4-8-15(24-3)9-5-13/h4-
    12,17-18H,1-3H3,(H2,19,20
    ,21)/t17-/m1/s1;
    BZVYQWLRCHLAGK-QGZVFWFLSA-N    		 CC(C)C(NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC)
    P(=O)(O)O; CC(C)[C@H](NS(=O)(=O)c1ccc(cc
    1)c2ccc(cc2)OC)P(=O)(O)O; O=P(O)(O)C(NS(
    =O)(=O)c2ccc(c1ccc(OC)cc1)cc2)C(C)C; COc
    1ccc(cc1)c2ccc(cc2)[S](=O)(=O)N[CH](C(C)
    C)[P](O)(O)=O; COc1ccc(cc1)c2ccc(cc2)[S]
    (=O)(=O)N[C@@H](C(C)C)[P](O)(O)=O    		 (1R)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID
    20798
    FIO
    ZINC000098208887    		 0 C7 H14 F N3 O2 InChI=1S/C7H14FN3O2/c8-4-
    6(10)11-3-1-2-5(9)7(12)13
    /h5H,1-4,9H2,(H2,10,11)(H
    ,12,13)/t5-/m0/s1;
    VHLCDEVOVRFHAP-YFKPBYRVSA-N    		 N[C@@H](CCCNC(=N)CF)C(O)=O; C(CC(C(=O)O)
    N)CNC(=N)CF; N[CH](CCCNC(=N)CF)C(O)=O; O
    =C(O)C(N)CCCNC(=[N@H])CF; [H]/N=C(\CF)/N
    CCC[C@@H](C(=O)O)N    		 N~5~-[(1E)-2-fluoroethanimidoyl]-L-ornithine
    20799
    FIP
    CHEMBL1160523
    DB07773
    ZINC000003606158    		 3 C11 H13 F N O4 P InChI=1S/C11H13FNO4P/c12-
    9-3-4-11-10(6-9)8(7-13-11
    )2-1-5-17-18(14,15)16/h3-
    4,6-7,13H,1-2,5H2,(H2,14,
    15,16);
    YVYGGBFCYXRNKM-UHFFFAOYSA-N    		 c1cc2c(cc1F)c(c[nH]2)CCCOP(=O)(O)O; O[P]
    (O)(=O)OCCCc1c[nH]c2ccc(F)cc12; Fc1cc2c(
    cc1)ncc2CCCOP(=O)(O)O    		 5-FLUOROINDOLE PROPANOL PHOSPHATE
    20800
    FIQ
    CHEMBL5201513
    ZINC000166594261    		 2 C8 H10 N2 O2 InChI=1S/C8H10N2O2/c1-10-
    7(11)4-6(5-2-3-5)9-8(10)1
    2/h4-5H,2-3H2,1H3,(H,9,12
    );
    SJCKLNPJUZKFGN-UHFFFAOYSA-N    		 CN1C(=O)C=C(NC1=O)C2CC2; CN1C(=O)NC(=CC1
    =O)C2CC2    		 6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione
    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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