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

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    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    25001
    FOB
    ZINC000095584106    		 2 C10 H15 N2 O5 P InChI=1S/C10H15N2O5P/c1-8
    (13)12(14)7-4-10(18(15,16
    )17)9-2-5-11-6-3-9/h2-3,5
    -6,10,14H,4,7H2,1H3,(H2,1
    5,16,17)/t10-/m1/s1;
    AMWIPWYKSYZXGB-SNVBAGLBSA-N    		 CC(=O)N(CCC(c1ccncc1)P(=O)(O)O)O; CC(=O)
    N(O)CC[C@H](c1ccncc1)[P](O)(O)=O; CC(=O)
    N(O)CC[CH](c1ccncc1)[P](O)(O)=O; CC(=O)N
    (CC[C@H](c1ccncc1)P(=O)(O)O)O; O=C(N(O)C
    CC(c1ccncc1)P(=O)(O)O)C    		 [(1R)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid
    25002
    FOC
    DB03815
    ZINC000002575033    		 14 C6 H14 O5 InChI=1S/C6H14O5/c1-3(8)5
    (10)6(11)4(9)2-7/h3-11H,2
    H2,1H3/t3-,4+,5+,6-/m0/s1;
    SKCKOFZKJLZSFA-KCDKBNATSA-N    		 C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO; C
    [C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O; CC
    (C(C(C(CO)O)O)O)O; OC(C(O)C)C(O)C(O)CO;
    C[CH](O)[CH](O)[CH](O)[CH](O)CO    		 FUCITOL
    25003
    FOD    		 0 C12 H20 N4 O3 InChI=1S/C12H20N4O3/c13-1
    1(12(18)19)6-1-8-7-16(15-
    14-8)9-2-4-10(17)5-3-9/h7
    ,9-11,17H,1-6,13H2,(H,18,
    19)/t9-,10-,11-/m0/s1;
    UMDKTMNWTHWTPL-DCAQKATOSA-N    		 c1c(nnn1C2CCC(CC2)O)CC[C@@H](C(=O)O)N; N
    [C@@H](CCc1cn(nn1)[C@H]2CC[C@H](O)CC2)C(
    O)=O; N[CH](CCc1cn(nn1)[CH]2CC[CH](O)CC2
    )C(O)=O; c1c(nnn1C2CCC(CC2)O)CCC(C(=O)O)
    N; c1(nnn(c1)C2CCC(CC2)O)CCC(N)C(O)=O    		 (2S)-2-amino-4-[1-(trans-4-hydroxycyclohexyl)-1H-1,2,3-triazol-4-yl]butanoic acid
    25004
    FOE
    ZINC000006762579    		 0 C14 H19 F N2 O3 S InChI=1S/C14H19FN2O3S/c1-
    9(2)17(11-5-3-10(15)4-6-1
    1)13(18)8-21-7-12(16)14(1
    9)20/h3-6,9,12H,7-8,16H2,
    1-2H3,(H,19,20)/t12-/m0/s
    1;
    NYVPFDRTSVHZRO-LBPRGKRZSA-N    		 CC(C)N(c1ccc(cc1)F)C(=O)CSC[C@@H](C(=O)O
    )N; CC(C)N(C(=O)CSC[CH](N)C(O)=O)c1ccc(F
    )cc1; CC(C)N(C(=O)CSC[C@H](N)C(O)=O)c1cc
    c(F)cc1; CC(C)N(c1ccc(cc1)F)C(=O)CSCC(C(
    =O)O)N; O=C(O)C(N)CSCC(=O)N(c1ccc(F)cc1)
    C(C)C    		 2-(2-AMINO-3-OXO-PROPYLSULFANYL)-N-(4-FLUORO-PHENYL)-N-ISOPROPYL-ACETAMIDE
    25005
    FOF
    CHEMBL25308
    ZINC000001532860    		 7 C15 H26 O InChI=1S/C15H26O/c1-13(2)
    7-5-8-14(3)9-6-10-15(4)11
    -12-16/h7,9,11,16H,5-6,8,
    10,12H2,1-4H3/b14-9+,15-1
    1+;
    CRDAMVZIKSXKFV-YFVJMOTDSA-N    		 CC(=CCCC(=CCCC(=CCO)C)C)C; CC(C)=CCCC(C)
    =CCCC(C)=CCO; CC(C)=CCC\C(C)=C\CC/C(C)=C
    /CO; C\C(=C\CC\C(=C\CCC(C)=[C@H]CO)C)C;
    CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C    		 (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;
    trans,trans-Farnesol
    25006
    FOG
    CHEMBL10729
    ZINC000013559523    		 0 C12 H17 N O3 InChI=1S/C12H17NO3/c13-10
    (11(14)6-7-12(15)16)8-9-4
    -2-1-3-5-9/h1-5,10-11,14H
    ,6-8,13H2,(H,15,16)/t10-,
    11-/m0/s1;
    RZDSOGPADIZKDQ-QWRGUYRKSA-N    		 N[C@@H](Cc1ccccc1)[C@@H](O)CCC(O)=O; O=C
    (O)CCC(O)C(N)Cc1ccccc1; c1ccc(cc1)CC(C(C
    CC(=O)O)O)N; c1ccc(cc1)C[C@@H]([C@H](CCC
    (=O)O)O)N; N[CH](Cc1ccccc1)[CH](O)CCC(O)
    =O    		 (4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid
    25007
    FOH
    CHEMBL1232800
    DB02509
    ZINC000013507232    		 3 C15 H26 O InChI=1S/C15H26O/c1-13(2)
    7-5-8-14(3)9-6-10-15(4)11
    -12-16/h7,9,11,16H,5-6,8,
    10,12H2,1-4H3/b14-9-,15-1
    1-;
    CRDAMVZIKSXKFV-FBXUGWQNSA-N    		 CC(=CCCC(=CCCC(=CCO)C)C)C; CC(C)=CCCC(C)
    =CCCC(C)=CCO; C/C(C)=C/CC\C(=C/CCC(C)=[C
    @H]CO)C; CC(C)=CCC\C(C)=C/CC\C(C)=C/CO;
    CC(=CCC/C(=C\CC/C(=C\CO)/C)/C)C    		 (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol;
    cis,cis-Farnesol
    25008
    FOI
    ZINC000064746572    		 2 C18 H15 N3 O4 InChI=1S/C18H15N3O4/c1-24
    -18(22)17-16(13-6-7-19-9-
    15(13)25-17)20-11-3-4-12-
    10(8-11)2-5-14(12)21-23/h
    2-9,11,20-21,23H,1H3/t11-
    /m0/s1;
    JUENRCGOCJWDSD-NSHDSACASA-N    		 COC(=O)c1oc2cnccc2c1N[CH]3C=CC4=C(NO)C=C
    C4=C3; COC(=O)c1oc2cnccc2c1N[C@H]3C=CC4=
    C(NO)C=CC4=C3; O=C(OC)c2oc1cnccc1c2NC4C=
    CC3=C(NO)C=CC3=C4; COC(=O)c1c(c2ccncc2o1
    )NC3C=CC4=C(C=CC4=C3)NO    		 methyl 3-{[(5S)-1-(hydroxyamino)-5H-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate;
    (E)-methyl 3-(1-(hydroxyimino)-2,3-dihydro-1H-inden-5-ylamino)furo[2,3-c]pyridine-2-carboxylate
    25009
    FOJ
    CHEMBL4175320
    ZINC000521836526    		 1 C16 H8 F5 N O4 S InChI=1S/C16H8F5NO4S/c17-
    8-3-7(6-22)4-9(5-8)26-10-
    1-2-11-13(12(10)15(18)19)
    14(23)16(20,21)27(11,24)2
    5/h1-5,14-15,23H/t14-/m1/
    s1;
    HZDKYXAZAPXCKQ-CQSZACIVSA-N    		 c1cc2c(c(c1Oc3cc(cc(c3)F)C#N)C(F)F)C(C(S
    2(=O)=O)(F)F)O; c1cc2c(c(c1Oc3cc(cc(c3)F
    )C#N)C(F)F)[C@H](C(S2(=O)=O)(F)F)O; O[CH
    ]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)[S](
    =O)(=O)C1(F)F; O[C@@H]1c2c(ccc(Oc3cc(F)c
    c(c3)C#N)c2C(F)F)[S](=O)(=O)C1(F)F; N#Cc
    1cc(cc(c1)F)Oc3ccc2S(=O)(=O)C(F)(F)C(c2c
    3C(F)F)O    		 3-{[(3R)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1H-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile
    25010
    FOK
    CHEMBL52606
    DB02587
    ZINC000003977779    		 26 C22 H34 O7 InChI=1S/C22H34O7/c1-8-19
    (5)11-14(25)22(27)20(6)13
    (24)9-10-18(3,4)16(20)15(
    26)17(28-12(2)23)21(22,7)
    29-19/h8,13,15-17,24,26-2
    7H,1,9-11H2,2-7H3/t13-,15
    -,16-,17-,19-,20-,21+,22-
    /m0/s1;
    OHCQJHSOBUTRHG-KGGHGJDLSA-N    		 O=C2CC(OC3(C(OC(=O)C)C(O)C1C(CCC(O)C1(C)
    C23O)(C)C)C)(\C=C)C; CC(=O)OC1C(C2C(CCC(
    C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O;
    CC(=O)O[C@H]1[C@H]([C@H]2C(CC[C@@H]([C@
    @]2([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)
    O)C)O)(C)C)O; CC(=O)O[CH]1[CH](O)[CH]2C(
    C)(C)CC[CH](O)[C]2(C)[C]3(O)C(=O)C[C](C)
    (O[C]13C)C=C; CC(=O)O[C@H]1[C@@H](O)[C@H
    ]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]3(O)C(=O
    )C[C@@](C)(O[C@]13C)C=C    		 FORSKOLIN
    25011
    FOL
    CHEMBL1622
    DB00158
    ZINC000008577218    		 13 C19 H19 N7 O6 InChI=1S/C19H19N7O6/c20-1
    9-25-15-14(17(30)26-19)23
    -11(8-22-15)7-21-10-3-1-9
    (2-4-10)16(29)24-12(18(31
    )32)5-6-13(27)28/h1-4,8,1
    2,21H,5-7H2,(H,24,29)(H,2
    7,28)(H,31,32)(H3,20,22,2
    5,26,30)/t12-/m0/s1;
    OVBPIULPVIDEAO-LBPRGKRZSA-N    		 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC
    c2cnc3c(n2)C(=O)N=C(N3)N; c1cc(ccc1C(=O)
    NC(CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C
    (N3)N; NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)N
    [CH](CCC(O)=O)C(O)=O)cnc2N1; NC1=NC(=O)c
    2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(
    O)=O)cnc2N1; O=C(O)C(NC(=O)c1ccc(cc1)NCc
    2nc3c(nc2)NC(=NC3=O)N)CCC(=O)O    		 FOLIC ACID
    25012
    FOM
    CHEMBL203125
    DB02948
    ZINC000012502867    		 30 C4 H10 N O5 P InChI=1S/C4H10NO5P/c6-4-5
    (7)2-1-3-11(8,9)10/h4,7H,
    1-3H2,(H2,8,9,10);
    GJXWDTUCERCKIX-UHFFFAOYSA-N    		 O=P(O)(O)CCCN(O)C=O; C(CN(C=O)O)CP(=O)(O
    )O; ON(CCC[P](O)(O)=O)C=O    		 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID;
    FOSMIDOMYCIN
    25013
    FON
    CHEMBL1232801
    DB03256
    ZINC000009212428    		 49 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
    +/m1/s1;
    VVIAGPKUTFNRDU-OLZOCXBDSA-N    		 NC1=NC(=O)C2=C(NC[CH](CNc3ccc(cc3)C(=O)N
    [CH](CCC(O)=O)C(O)=O)N2C=O)N1; NC1=NC(=O
    )C2=C(NC[C@@H](CNc3ccc(cc3)C(=O)N[C@@H](
    CCC(O)=O)C(O)=O)N2C=O)N1; O=C(O)C(NC(=O)
    c1ccc(cc1)NCC3N(C2=C(NC(=NC2=O)N)NC3)C=O
    )CCC(=O)O; c1cc(ccc1C(=O)N[C@@H](CCC(=O)
    O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(
    N3)N; c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N
    CC2CNC3=C(N2C=O)C(=O)N=C(N3)N    		 N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid;
    [6R]-5-FORMYL-5,6,7,8-TETRAHYDROFOLATE;
    6R-FOLINIC ACID
    25014
    FOO    		 1 C11 H13 N2 O7 P InChI=1S/C11H13N2O7P/c1-6
    -10(14)8(2-3-9(12)11(15)1
    6)7(4-13-6)5-20-21(17,18)
    19/h2-4,12,14H,5H2,1H3,(H
    ,15,16)(H2,17,18,19)/b3-2
    +,12-9-;
    RFCLOBQLGFQJHL-LDEIZCIFSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=CC(=N)C(O)=O)c1
    O; Cc1ncc(CO[P](O)(O)=O)c(/C=C/C(=N)C(O)
    =O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)C=CC(=N
    )C(=O)O)O; O=C(O)C(=[N@H])\C=C\c1c(cnc(c
    1O)C)COP(=O)(O)O; Cc1c(c(c(cn1)COP(=O)(O
    )O)\C=C\C(=N)C(=O)O)O    		 (3E)-4-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}-2-IMINOBUT-3-ENOIC ACID
    25015
    FOP    		 0 C3 H10 N O InChI=1S/C3H9NO/c1-3(5)2-
    4/h3,5H,2,4H2,1H3/p+1/t3-
    /m1/s1;
    HXKKHQJGJAFBHI-GSVOUGTGSA-O    		 OC(C)C[NH3+]; CC(C[NH3+])O; C[C@H](C[NH3
    +])O; C[C@@H](O)C[NH3+]; C[CH](O)C[NH3+]    		 2-HYDROXY-PROPYL-AMMONIUM;
    F-LOOP OF VITAMIN B12
    25016
    FOQ
    ZINC000095584105    		 2 C10 H15 N2 O5 P InChI=1S/C10H15N2O5P/c1-8
    (13)12(14)7-4-10(18(15,16
    )17)9-2-5-11-6-3-9/h2-3,5
    -6,10,14H,4,7H2,1H3,(H2,1
    5,16,17)/t10-/m0/s1;
    AMWIPWYKSYZXGB-JTQLQIEISA-N    		 CC(=O)N(CCC(c1ccncc1)P(=O)(O)O)O; CC(=O)
    N(CC[C@@H](c1ccncc1)P(=O)(O)O)O; CC(=O)N
    (O)CC[CH](c1ccncc1)[P](O)(O)=O; CC(=O)N(
    O)CC[C@@H](c1ccncc1)[P](O)(O)=O; O=C(N(O
    )CCC(c1ccncc1)P(=O)(O)O)C    		 [(1S)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid
    25017
    FOR
    CHEMBL1255
    DB03843    		 0 C H2 O InChI=1S/CH2O/c1-2/h1H2;
    WSFSSNUMVMOOMR-UHFFFAOYSA-N    		 O=C; C=O FORMYL GROUP
    25018
    FOS
    CHEMBL1232804
    DB02642    		 2 C9 H12 N O5 P InChI=1S/C9H12NO5P/c11-9(
    10-7-16(12,13)14)15-6-8-4
    -2-1-3-5-8/h1-5H,6-7H2,(H
    ,10,11)(H2,12,13,14);
    WUNKRZNFNIYEPN-UHFFFAOYSA-N    		 O[P](O)(=O)CNC(=O)OCc1ccccc1; c1ccc(cc1)
    COC(=O)NCP(=O)(O)O; O=P(O)(O)CNC(=O)OCc1
    ccccc1    		 [[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE
    25019
    FOT
    CHEMBL1232805
    ZINC000001663959    		 18 C5 H3 F N2 O4 InChI=1S/C5H3FN2O4/c6-1-2
    (4(10)11)7-5(12)8-3(1)9/h
    (H,10,11)(H2,7,8,9,12);
    SEHFUALWMUWDKS-UHFFFAOYSA-N    		 C1(=C(NC(=O)NC1=O)C(=O)O)F; O=C(O)C1=C(F
    )C(=O)NC(=O)N1; OC(=O)C1=C(F)C(=O)NC(=O)
    N1    		 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID;
    5-FLUOROOROTIC ACID
    25020
    FOU
    ZINC000095921359    		 2 C4 H7 F N2 O3 InChI=1S/C4H7FN2O3/c5-1-2
    (8)6-4(10)7-3(1)9/h1-3,8-
    9H,(H2,6,7,10)/t2-,3-/m1/
    s1;
    DBCBOJHOXAJKHT-PWNYCUMCSA-N    		 O[C@H]1NC(=O)N[C@H](O)C1F; C1(C(NC(=O)NC
    1O)O)F; O[CH]1NC(=O)N[CH](O)C1F; [C@H]1(
    C([C@H](NC(=O)N1)O)F)O; FC1C(O)NC(=O)NC1
    O    		 (5S,6R)-5-FLUORO-6-HYDROXYDIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE;
    (5S,6R)-5-FLUORO-6-HYDROXY-PSEUDOURIDINE
    25021
    FOV
    CHEMBL4168682    		 1 C13 H7 Cl F4 N2 O4 S InChI=1S/C13H7ClF4N2O4S/c
    14-7-3-8(15)5-9(4-7)19-11
    -2-1-10(6-12(11)20(21)22)
    25(23,24)13(16,17)18/h1-6
    ,19H;
    QONODMQQXMILPX-UHFFFAOYSA-N    		 O=N(c1c(ccc(c1)S(C(F)(F)F)(=O)=O)Nc2cc(C
    l)cc(c2)F)=O; Fc1cc(Cl)cc(Nc2ccc(cc2[N](
    =O)=O)[S](=O)(=O)C(F)(F)F)c1; c1cc(c(cc1
    S(=O)(=O)C(F)(F)F)N(=O)=O)Nc2cc(cc(c2)Cl
    )F    		 N-(3-chloro-5-fluorophenyl)-2-nitro-4-[(trifluoromethyl)sulfonyl]aniline
    25022
    FOW
    CHEMBL4449500    		 4 C25 H26 N6 O InChI=1S/C25H26N6O/c32-24
    -20-6-11-26-23(22(20)27-1
    7-28-24)31-16-18(15-29-31
    )7-12-30-13-9-25(10-14-30
    )8-5-19-3-1-2-4-21(19)25/
    h1-4,6,11,15-17H,5,7-10,1
    2-14H2,(H,27,28,32);
    AVFIHINZEZRGBL-UHFFFAOYSA-N    		 c1ccc2c(c1)CCC23CCN(CC3)CCc4cnn(c4)c5c6c
    (ccn5)C(=O)NC=N6; O=C1NC=Nc2c1ccnc2n3cc(
    CCN4CCC5(CC4)CCc6ccccc56)cn3    		 8-[4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
    25023
    FOX
    ZINC000058633690    		 0 C11 H18 N5 O7 P InChI=1S/C11H18N5O7P/c12-
    11-15-9(8(13-4-17)10(19)1
    6-11)14-6-1-5(7(18)2-6)3-
    23-24(20,21)22/h4-7,18H,1
    -3H2,(H,13,17)(H2,20,21,2
    2)(H4,12,14,15,16,19)/t5-
    ,6-,7+/m1/s1;
    UQRLPMGPCBTFTR-QYNIQEEDSA-N    		 NC1=NC(=O)C(=C(N[C@H]2C[C@H](O)[C@@H](CO
    [P](O)(O)=O)C2)N1)NC=O; C1[C@H](C[C@@H](
    [C@H]1COP(=O)(O)O)O)NC2=C(C(=O)N=C(N2)N)
    NC=O; O=C1N=C(NC(=C1NC=O)NC2CC(COP(=O)(O
    )O)C(O)C2)N; NC1=NC(=O)C(=C(N[CH]2C[CH](
    O)[CH](CO[P](O)(O)=O)C2)N1)NC=O; C1C(CC(
    C1COP(=O)(O)O)O)NC2=C(C(=O)N=C(N2)N)NC=O    		 ((1R,2S,4R)-4-{[2-AMINO-5-(FORMYLAMINO)-6-OXO-3,6-DIHYDROPYRIMIDIN-4-YL]AMINO}-2-HYDROXYCYCLOPENTYL)METHYL 5'-PHOSPHATE
    25024
    FOY
    CHEMBL4251258    		 1 C17 H16 N2 O2 InChI=1S/C17H16N2O2/c1-12
    -17(13(2)21-18-12)15-8-9-
    16(20)19(11-15)10-14-6-4-
    3-5-7-14/h3-9,11H,10H2,1-
    2H3;
    CIJOVPIWGFQZFF-UHFFFAOYSA-N    		 Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccccc3;
    Cc1onc(C)c1C2=CN(Cc3ccccc3)C(=O)C=C2; O=
    C2N(Cc1ccccc1)C=C(C=C2)c3c(C)onc3C    		 1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1H)-one
    25025
    FOZ
    CHEMBL1908841
    DB11596    		 0 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=NC(=O)C2=C(NC[CH](CNc3ccc(cc3)C(=O)N
    [CH](CCC(O)=O)C(O)=O)N2C=O)N1; NC1=NC(=O
    )C2=C(NC[C@H](CNc3ccc(cc3)C(=O)N[C@@H](C
    CC(O)=O)C(O)=O)N2C=O)N1; O=C(O)C(NC(=O)c
    1ccc(cc1)NCC2N(C=O)C=3C(=O)N=C(NC=3NC2)N
    )CCC(=O)O; c1cc(ccc1C(=O)NC(CCC(=O)O)C(=
    O)O)NCC2CNC3=C(N2C=O)C(=O)N=C(N3)N; c1cc
    (ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H
    ]2CNC3=C(N2C=O)C(=O)N=C(N3)N    		 N-[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid
    25026
    FP0
    ZINC000048643520    		 1 C17 H24 O5 InChI=1S/C17H24O5/c1-10-4
    -5-16(8-18)13(6-10)22-14-
    12(21-11(2)19)7-15(16,3)1
    7(14)9-20-17/h6,12-14,18H
    ,4-5,7-9H2,1-3H3/t12-,13-
    ,14-,15-,16-,17+/m1/s1;
    DFPPNUOWRKIOKO-KWRZAIAESA-N    		 CC1=C[C@@H]2[C@](CC1)([C@]3(C[C@H]([C@H]
    ([C@@]34CO4)O2)OC(=O)C)C)CO; CC1=CC2C(CC
    1)(C3(CC(C(C34CO4)O2)OC(=O)C)C)CO; O=C(O
    C3CC2(C4(C(OC3C21OC1)C=C(C)CC4)CO)C)C; C
    C(=O)O[CH]1C[C]2(C)[C]3(CO)CCC(=C[CH]3O[
    CH]1[C]24CO4)C; CC(=O)O[C@@H]1C[C@]2(C)[
    C@@]3(CO)CCC(=C[C@H]3O[C@H]1[C@@]24CO4)C    		 (3alpha)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate;
    15-decalonectrin
    25027
    FP1
    ZINC000103541787    		 6 C7 H10 N2 O InChI=1S/C7H10N2O/c1-9-5-
    3-2-4-7(9)6-8-10/h2-6,8,1
    0H,1H3/b7-6-;
    YDWKOUCMHAMECR-SREVYHEPSA-N    		 CN1C=CC=CC1=CNO; CN1C=CC=C/C1=C/NO; CN\1
    C=CC=C/C1=C/NO; ON\C=C1\C=CC=CN1C    		 N-hydroxy-1-(1-methylpyridin-2(1H)-ylidene)methanamine
    25028
    FP2
    CHEMBL224144
    ZINC000000164476    		 1 C6 H5 F O InChI=1S/C6H5FO/c7-5-3-1-
    2-4-6(5)8/h1-4,8H;
    HFHFGHLXUCOHLN-UHFFFAOYSA-N    		 c1ccc(c(c1)O)F; Oc1ccccc1F; Fc1ccccc1O 2-fluorophenol
    25029
    FP3
    CHEMBL1614963
    ZINC000064746574    		 2 C17 H11 Cl N4 O2 InChI=1S/C17H11ClN4O2/c18
    -12-3-2-10(8-13(12)23)22-
    15-11-4-7-19-9-14(11)24-1
    6(15)17-20-5-1-6-21-17/h1
    -9,22-23H;
    XNYZWJDKGDUFBJ-UHFFFAOYSA-N    		 c1cnc(nc1)c2c(c3ccncc3o2)Nc4ccc(c(c4)O)C
    l; Clc1ccc(cc1O)Nc2c4ccncc4oc2c3ncccn3;
    Oc1cc(Nc2c(oc3cnccc23)c4ncccn4)ccc1Cl    		 2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol
    25030
    FP4
    ZINC000064746616    		 2 C21 H18 N6 O2 InChI=1S/C21H18N6O2/c28-1
    1-2-6-16-18-14(4-1-5-15(1
    8)26-27-16)25-19-13-7-10-
    22-12-17(13)29-20(19)21-2
    3-8-3-9-24-21/h1,3-5,7-10
    ,12,25,28H,2,6,11H2,(H,26
    ,27);
    SYIQWALXOCKNEW-UHFFFAOYSA-N    		 c1cc2c(c(c1)Nc3c4ccncc4oc3c5ncccn5)c(n[n
    H]2)CCCO; OCCCc1n[nH]c2cccc(Nc3c(oc4cncc
    c34)c5ncccn5)c12; n5ccc1c(oc(c1Nc3cccc2n
    nc(c23)CCCO)c4ncccn4)c5    		 3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1H-indazol-3-yl)propan-1-ol
    25031
    FP5
    CHEMBL1275918
    ZINC000169879812    		 6 C9 H12 B N O3 InChI=1S/C9H12BNO3/c12-9(
    11-7-10(13)14)6-8-4-2-1-3
    -5-8/h1-5,13-14H,6-7H2,(H
    ,11,12);
    WPZJZIUTEZTIJI-UHFFFAOYSA-N    		 B(CNC(=O)Cc1ccccc1)(O)O; OB(O)CNC(=O)Cc1
    ccccc1    		 PHENYLACETAMIDOMETHYL BORONIC ACID
    25032
    FP6
    CHEMBL4745604
    ZINC000001675320    		 2 C5 H9 N O InChI=1S/C5H9NO/c7-5-6-3-
    1-2-4-6/h5H,1-4H2;
    AGRIQBHIKABLPJ-UHFFFAOYSA-N    		 C1CCN(C1)C=O; O=CN1CCCC1 pyrrolidine-1-carbaldehyde
    25033
    FP7    		 1 C19 H20 N2 O3 InChI=1S/C19H20N2O3/c1-12
    -19(14(3)24-20-12)17-8-9-
    18(23)21(11-17)10-15-4-6-
    16(7-5-15)13(2)22/h4-9,11
    ,13,22H,10H2,1-3H3/t13-/m
    1/s1;
    GYFSAKAXGZYFTD-CYBMUJFWSA-N    		 Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccc(cc3)
    [C@@H](C)O; C[CH](O)c1ccc(CN2C=C(C=CC2=O
    )c3c(C)onc3C)cc1; C[C@@H](O)c1ccc(CN2C=C
    (C=CC2=O)c3c(C)onc3C)cc1; Cc1c(c(on1)C)C
    2=CN(C(=O)C=C2)Cc3ccc(cc3)C(C)O; c3cc(CN
    2C=C(c1c(C)noc1C)C=CC2=O)ccc3C(C)O    		 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1R)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1H)-one
    25034
    FP8    		 2 C28 H40 N4 O9 S InChI=1S/C28H40N4O9S/c1-1
    7(2)10-21(25(35)30-22(26(
    36)42(38,39)40)12-19-8-9-
    29-24(19)34)31-27(37)41-2
    0-13-28(14-20)15-32(16-28
    )23(33)11-18-6-4-3-5-7-18
    /h3-7,17,19-22,26,36H,8-1
    6H2,1-2H3,(H,29,34)(H,30,
    35)(H,31,37)(H,38,39,40)/
    t19-,21-,22-,26+/m0/s1;
    BUKWXURASAKBCJ-QOAPGFADSA-N    		 CC(C)C[CH](NC(=O)OC1CC2(C1)CN(C2)C(=O)Cc
    3ccccc3)C(=O)N[CH](C[CH]4CCNC4=O)[CH](O)
    [S](O)(=O)=O; CC(C)C[C@H](NC(=O)OC1CC2(C
    1)CN(C2)C(=O)Cc3ccccc3)C(=O)N[C@@H](C[C@
    @H]4CCNC4=O)[C@H](O)[S](O)(=O)=O; O=C(Cc
    1ccccc1)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(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=
    O)OC2CC3(C2)CN(C3)C(=O)Cc4ccccc4; CC(C)C
    [C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H
    ](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=
    O)Cc4ccccc4    		 (1R,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    25035
    FP9
    CHEMBL1232810
    ZINC000004899902    		 0 C5 H8 F N O2 InChI=1S/C5H8FNO2/c6-3-1-
    4(5(8)9)7-2-3/h3-4,7H,1-2
    H2,(H,8,9)/t3-,4+/m1/s1;
    ZIWHMENIDGOELV-DMTCNVIQSA-N    		 C1C(CNC1C(=O)O)F; O=C(O)C1NCC(F)C1; OC(=
    O)[CH]1C[CH](F)CN1; OC(=O)[C@@H]1C[C@@H]
    (F)CN1; C1[C@H](CN[C@@H]1C(=O)O)F    		 (4R)-4-fluoro-L-proline
    25036
    FPA
    ZINC000004290612    		 0 C2 H Br F2 O2 InChI=1S/C2HBrF2O2/c3-2(4
    ,5)1(6)7/h(H,6,7);
    LZCMQBRCQWOSHZ-UHFFFAOYSA-N    		 OC(=O)C(F)(F)Br; C(F)(F)(C(=O)O)Br; C(=O
    )(C(F)(F)Br)O    		 bromo(difluoro)acetic acid
    25037
    FPB
    CHEMBL425584
    DB07779
    ZINC000014948268    		 2 C22 H26 F N3 O2 InChI=1S/C22H26FN3O2/c23-
    20-11-5-4-9-17(20)13-18(2
    4)14-21(27)26-12-6-10-19(
    26)15-25-22(28)16-7-2-1-3
    -8-16/h1-5,7-9,11,18-19H,
    6,10,12-15,24H2,(H,25,28)
    /t18-,19+/m1/s1;
    ANQHSFFUNMTTRS-MOPGFXCFSA-N    		 c1ccc(cc1)C(=O)NC[C@@H]2CCCN2C(=O)C[C@@H
    ](Cc3ccccc3F)N; c1ccc(cc1)C(=O)NCC2CCCN2
    C(=O)CC(Cc3ccccc3F)N; N[C@@H](CC(=O)N1CC
    C[C@H]1CNC(=O)c2ccccc2)Cc3ccccc3F; N[CH]
    (CC(=O)N1CCC[CH]1CNC(=O)c2ccccc2)Cc3cccc
    c3F; O=C(N2C(CNC(=O)c1ccccc1)CCC2)CC(N)C
    c3ccccc3F    		 N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE
    25038
    FPC    		 0 C6 H15 O9 P InChI=1S/C6H15O9P/c7-1-3(
    8)5(10)6(11)4(9)2-15-16(1
    2,13)14/h3-11H,1-2H2,(H2,
    12,13,14)/t3-,4-,5+,6-/m1
    /s1;
    GACTWZZMVMUKNG-ARQDHWQXSA-N    		 OC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO[P]
    (O)(O)=O; OC[CH](O)[CH](O)[CH](O)[CH](O)
    CO[P](O)(O)=O; C(C(C(C(C(COP(=O)(O)O)O)O
    )O)O)O; C([C@H]([C@@H]([C@@H]([C@@H](COP
    (=O)(O)O)O)O)O)O)O; O=P(OCC(O)C(O)C(O)C(
    O)CO)(O)O    		 D-FRUCTOSE-6-PHOSPHATE (OPEN FORM)
    25039
    FPD
    ZINC000014979166    		 10 C19 H24 N2 O8 S InChI=1S/C19H24N2O8S/c1-1
    7(27,10-23)14(24)19-16(26
    )20-18(28,15(25)21-19)12(
    5-6-29-19)9-30-13-4-2-3-1
    1(7-13)8-22/h2-4,7-8,12,1
    4,23-24,27-28H,5-6,9-10H2
    ,1H3,(H,20,26)(H,21,25)/t
    12-,14-,17-,18+,19-/m0/s1;
    LVFCJUVYCSPOOY-KRJMWWHISA-N    		 C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@]([C@@
    H](CCO1)CSc3cccc(c3)C=O)(C(=O)N2)O)O)O;
    C[C@](O)(CO)[C@H](O)[C@@]12NC(=O)[C@@](O
    )(NC1=O)[C@@H](CCO2)CSc3cccc(C=O)c3; CC(
    CO)(C(C12C(=O)NC(C(CCO1)CSc3cccc(c3)C=O)
    (C(=O)N2)O)O)O; C[C](O)(CO)[CH](O)[C]12N
    C(=O)[C](O)(NC1=O)[CH](CCO2)CSc3cccc(C=O
    )c3; O=Cc3cc(SCC1C2(O)NC(=O)C(OCC1)(NC2=
    O)C(O)C(O)(C)CO)ccc3    		 5A-(3-FORMYLPHENYLSULFANYL)-DIHYDROBICYCLOMYCIN
    25040
    FPE
    DB03113
    ZINC000012503067    		 2 C3 H6 F O6 P InChI=1S/C3H6FO6P/c4-1-2(
    3(5)6)10-11(7,8)9/h2H,1H2
    ,(H,5,6)(H2,7,8,9)/t2-/m0
    /s1;
    BNOCDEBUFVJMQI-REOHCLBHSA-N    		 O=P(O)(O)OC(C(=O)O)CF; C(C(C(=O)O)OP(=O)
    (O)O)F; OC(=O)[CH](CF)O[P](O)(O)=O; C([C
    @@H](C(=O)O)OP(=O)(O)O)F; OC(=O)[C@H](CF
    )O[P](O)(O)=O    		 3-FLUORO-2-(PHOSPHONOOXY)PROPANOIC ACID
    25041
    FPF
    ZINC000058631599    		 14 C15 H27 F O7 P2 InChI=1S/C15H27FO7P2/c1-1
    2(2)7-5-8-13(3)9-6-10-14(
    4)15(16)11-22-25(20,21)23
    -24(17,18)19/h7,9H,5-6,8,
    10-11H2,1-4H3,(H,20,21)(H
    2,17,18,19)/b13-9+,15-14-;
    DXHJZCKJWKWTCH-WISUYLHISA-N    		 CC(C)=CCCC(C)=CCCC(C)=C(F)CO[P](O)(=O)O[
    P](O)(O)=O; CC(=CCCC(=CCCC(=C(COP(=O)(O)
    OP(=O)(O)O)F)C)C)C; F\C(=C(\C)CC\C=C(/C)
    CC\C=C(/C)C)COP(=O)(OP(=O)(O)O)O; CC(=CC
    C/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O
    )\F)/C)/C)C; CC(C)=CCCC(/C)=C/CCC(/C)=C(
    F)/CO[P@](O)(=O)O[P](O)(O)=O    		 (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
    25042
    FPG
    ZINC000034855091    		 2 C10 H23 F O7 P2 InChI=1S/C10H23FO7P2/c1-8
    (2)6-5-7-10(4,9(3)11)17-2
    0(15,16)18-19(12,13)14/h8
    -9H,5-7H2,1-4H3,(H,15,16)
    (H2,12,13,14)/t9-,10+/m1/
    s1;
    JUOIVVAWJCVSPX-ZJUUUORDSA-N    		 CC(C)CCC[C@@](C)(C(C)F)O[P@@](=O)(O)OP(=
    O)(O)O; CC(C)CCC[C](C)(O[P](O)(=O)O[P](O
    )(O)=O)[CH](C)F; CC(C)CCCC(C)(C(C)F)OP(=
    O)(O)OP(=O)(O)O; CC(C)CCC[C@](C)(O[P@](O
    )(=O)O[P](O)(O)=O)[C@@H](C)F; O=P(OP(=O)
    (OC(C(F)C)(C)CCCC(C)C)O)(O)O    		 (1S)-1-[(1R)-1-FLUOROETHYL]-1,5-DIMETHYLHEXYL TRIHYDROGEN DIPHOSPHATE
    25043
    FPH
    DB02195
    ZINC000012501714    		 1 C18 H12 F N3 O InChI=1S/C18H12FN3O/c19-1
    4-5-3-12(4-6-14)16-17-15(
    2-1-9-21-17)22(23)18(16)1
    3-7-10-20-11-8-13/h1-11,2
    3H;
    ZSMYZLKEZDYVPI-UHFFFAOYSA-N    		 On1c2cccnc2c(c3ccc(F)cc3)c1c4ccncc4; c1c
    c2c(c(c(n2O)c3ccncc3)c4ccc(cc4)F)nc1; Fc
    4ccc(c2c1ncccc1n(O)c2c3ccncc3)cc4    		 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL;
    3-(4-FLUOROPHENYL)-1-HYDROXY-2-(PYRIDIN-4-YL)-1H-PYRROLO[3,2-B]PYRIDINE
    25044
    FPI
    CHEMBL1232817
    DB04113
    ZINC000000388699    		 4 C6 H11 N O InChI=1S/C6H11NO/c8-6-7-4
    -2-1-3-5-7/h6H,1-5H2;
    FEWLNYSYJNLUOO-UHFFFAOYSA-N    		 C1CCN(CC1)C=O; O=CN1CCCCC1 N-FORMYLPIPERIDINE
    25045
    FPJ    		 1 C13 H19 N6 O7 P InChI=1S/C13H19N6O7P/c1-2
    -7(20)18-27(23,24)25-3-6-
    9(21)10(22)13(26-6)19-5-1
    7-8-11(14)15-4-16-12(8)19
    /h4-6,9-10,13,21-22H,2-3H
    2,1H3,(H2,14,15,16)(H2,18
    ,20,23,24)/t6-,9-,10-,13-
    /m1/s1;
    YXHIVTXRAWARSD-ZRFIDHNTSA-N    		 CCC(=O)NP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncn
    c3N)O)O; CCC(=O)N[P](O)(=O)OC[C@H]1O[C@H
    ]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; CCC
    (=O)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H]
    (O1)n2cnc3c2ncnc3N)O)O; CCC(=O)N[P](O)(=
    O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)n
    cnc23; c2n(c1c(c(ncn1)N)n2)C3C(C(O)C(COP
    (NC(=O)CC)(O)=O)O3)O    		 5'-O-[(R)-hydroxy(propanoylamino)phosphoryl]adenosine
    25046
    FPK
    ZINC000002033577    		 14 C6 H9 N O3 InChI=1S/C6H9NO3/c8-4-7-3
    -1-2-5(7)6(9)10/h4-5H,1-3
    H2,(H,9,10)/t5-/m0/s1;
    DHDRGOURKDLAOT-YFKPBYRVSA-N    		 C1CC(N(C1)C=O)C(=O)O; OC(=O)[CH]1CCCN1C=
    O; OC(=O)[C@@H]1CCCN1C=O; O=CN1C(C(=O)O)
    CCC1; C1C[C@H](N(C1)C=O)C(=O)O    		 1-formyl-L-proline
    25047
    FPL
    CHEMBL149009    		 8 C12 H9 F O2 InChI=1S/C12H9FO2/c13-9-6
    -7-12(11(14)8-9)15-10-4-2
    -1-3-5-10/h1-8,14H;
    DEMPPYSGPXLMNG-UHFFFAOYSA-N    		 c1ccc(cc1)Oc2ccc(cc2O)F; Fc2ccc(Oc1ccccc
    1)c(O)c2; Oc1cc(F)ccc1Oc2ccccc2    		 5-fluoro-2-phenoxyphenol
    25048
    FPM
    CHEMBL556262
    DB12190
    ZINC000003959242    		 3 C12 H15 N O5 S InChI=1S/C12H15NO5S/c1-5(
    14)7-10(15)13-8(12(16)17)
    9(19-11(7)13)6-3-2-4-18-6
    /h5-7,11,14H,2-4H2,1H3,(H
    ,16,17)/t5-,6-,7+,11-/m1/
    s1;
    HGGAKXAHAYOLDJ-FHZUQPTBSA-N    		 C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H
    ]3CCCO3)C(=O)O)O; C[C@@H](O)[C@@H]1[C@H]
    2SC(=C(N2C1=O)C(O)=O)[C@H]3CCCO3; CC(C1C
    2N(C1=O)C(=C(S2)C3CCCO3)C(=O)O)O; C[CH](
    O)[CH]1[CH]2SC(=C(N2C1=O)C(O)=O)[CH]3CCC
    O3; O=C2N1C(=C(SC1C2C(O)C)C3OCCC3)C(=O)O    		 (5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;
    Faropenem
    25049
    FPN
    CHEMBL56226
    ZINC000000164463    		 4 C6 H5 F O InChI=1S/C6H5FO/c7-5-1-3-
    6(8)4-2-5/h1-4,8H;
    RHMPLDJJXGPMEX-UHFFFAOYSA-N    		 Oc1ccc(F)cc1; Fc1ccc(O)cc1; c1cc(ccc1O)F 4-FLUOROPHENOL
    25050
    FPO
    DB02348    		 1 F O3 P InChI=1S/FH2O3P/c1-5(2,3)
    4/h(H2,2,3,4)/p-2;
    DWYMPOCYEZONEA-UHFFFAOYSA-L    		 [O-][P]([O-])(F)=O; [O-]P(=O)([O-])F; [O
    -]P([O-])(F)=O    		 FLUORO-PHOSPHITE ION
    25051
    FPP
    CHEMBL69330
    DB07780
    ZINC000012494625    		 118 C15 H28 O7 P2 InChI=1S/C15H28O7P2/c1-13
    (2)7-5-8-14(3)9-6-10-15(4
    )11-12-21-24(19,20)22-23(
    16,17)18/h7,9,11H,5-6,8,1
    0,12H2,1-4H3,(H,19,20)(H2
    ,16,17,18)/b14-9+,15-11+;
    VWFJDQUYCIWHTN-YFVJMOTDSA-N    		 CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](
    O)(O)=O; O=P(OC/C=C(/CC\C=C(/C)CC\C=C(/C
    )C)C)(OP(=O)(O)O)O; CC(=CCC/C(=C/CC/C(=C
    /CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C; CC(C)
    =CCCC(/C)=C/CCC(/C)=C/CO[P@](O)(=O)O[P](
    O)(O)=O; CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=
    O)(O)O)C)C)C    		 FARNESYL DIPHOSPHATE
    25052
    FPQ
    ZINC000098208897    		 8 C18 H31 O7 P InChI=1S/C18H31O7P/c1-14(
    2)7-5-8-15(3)9-6-10-16(4)
    11-12-24-17(18(19)20)13-2
    5-26(21,22)23/h7,9,11,17H
    ,5-6,8,10,12-13H2,1-4H3,(
    H,19,20)(H2,21,22,23)/b15
    -9+,16-11-/t17-/m1/s1;
    SLQQIKXGDCLCGX-XLGHFPRDSA-N    		 CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(O)O
    )C(=O)O)/C)/C)C; O=C(O)C(OC/C=C(/C)CC\C=
    C(/C)CC\C=C(/C)C)COP(=O)(O)O; CC(C)=CCCC
    (C)=CCCC(C)=CCO[CH](CO[P](O)(O)=O)C(O)=O
    ; CC(=CCCC(=CCCC(=CCOC(COP(=O)(O)O)C(=O)
    O)C)C)C; CC(C)=CCCC(/C)=C/CCC(\C)=C/CO[C
    @H](CO[P](O)(O)=O)C(O)=O    		 (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid
    25053
    FPR
    ZINC000098208898    		 0 C13 H17 N O3 InChI=1S/C13H17NO3/c14-11
    (9-13(16)17)12(15)8-4-7-1
    0-5-2-1-3-6-10/h1-3,5-6,1
    1H,4,7-9,14H2,(H,16,17)/t
    11-/m0/s1;
    QYEQYTJKGDCZPC-NSHDSACASA-N    		 c1ccc(cc1)CCCC(=O)[C@H](CC(=O)O)N; c1ccc
    (cc1)CCCC(=O)C(CC(=O)O)N; N[CH](CC(O)=O)
    C(=O)CCCc1ccccc1; N[C@@H](CC(O)=O)C(=O)C
    CCc1ccccc1; O=C(O)CC(N)C(=O)CCCc1ccccc1    		 (3S)-3-amino-4-oxo-7-phenylheptanoic acid
    25054
    FPS
    DB04695
    ZINC000012504468    		 77 C15 H28 O6 P2 S InChI=1S/C15H28O6P2S/c1-1
    3(2)7-5-8-14(3)9-6-10-15(
    4)11-12-24-23(19,20)21-22
    (16,17)18/h7,9,11H,5-6,8,
    10,12H2,1-4H3,(H,19,20)(H
    2,16,17,18)/b14-9+,15-11+;
    MYMLCRQRXFRQGP-YFVJMOTDSA-N    		 O=P(O)(OP(=O)(O)O)SC/C=C(/CC/C=C(\C)CC\C
    =C(/C)C)C; CC(=CCC/C(=C/CC/C(=C/CS[P@@](
    =O)(O)OP(=O)(O)O)/C)/C)C; CC(C)=CCCC(C)=
    CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O; CC(C)
    =CCC/C(C)=C/CCC(/C)=C/CS[P](O)(=O)O[P](O
    )(O)=O; CC(=CCCC(=CCCC(=CCSP(=O)(O)OP(=O
    )(O)O)C)C)C    		 S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE;
    FARNESYL THIOPYROPHOSPHATE
    25055
    FPT
    DB07781
    ZINC000003873317    		 1 C16 H16 F N5 O S InChI=1S/C16H16FN5OS/c1-2
    -23-13-6-8-19-12(15(13)17
    )5-7-20-16(24)22-14-4-3-1
    1(9-18)10-21-14/h3-4,6,8,
    10H,2,5,7H2,1H3,(H2,20,21
    ,22,24);
    PQSCCWFMTRVFDA-UHFFFAOYSA-N    		 CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)C#N; S=
    C(Nc1ncc(C#N)cc1)NCCc2nccc(OCC)c2F; CCOc
    1ccnc(CCNC(=S)Nc2ccc(cn2)C#N)c1F    		 N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA
    25056
    FPU
    ZINC000089469759    		 1 C26 H24 N4 O4 InChI=1S/C26H24N4O4/c1-32
    -23-13-19-20(14-24(23)33-
    2)27-11-10-22(19)34-17-8-
    9-25(28-15-17)30-26(31)29
    -21-12-18(21)16-6-4-3-5-7
    -16/h3-11,13-15,18,21H,12
    H2,1-2H3,(H2,28,29,30,31)
    /t18-,21+/m0/s1;
    MRWNNBQFJVSSHG-GHTZIAJQSA-N    		 COc1cc2nccc(Oc3ccc(NC(=O)N[CH]4C[CH]4c5c
    cccc5)nc3)c2cc1OC; COc1cc2c(ccnc2cc1OC)O
    c3ccc(nc3)NC(=O)NC4CC4c5ccccc5; O=C(Nc3n
    cc(Oc1c2cc(OC)c(OC)cc2ncc1)cc3)NC5CC5c4c
    cccc4; COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC
    (=O)N[C@@H]4C[C@H]4c5ccccc5; COc1cc2nccc
    (Oc3ccc(NC(=O)N[C@@H]4C[C@H]4c5ccccc5)nc
    3)c2cc1OC    		 1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1R,2S)-2-phenylcyclopropyl]urea
    25057
    FPW
    CHEMBL3125861
    ZINC000087613159    		 1 C29 H24 N4 O5 InChI=1S/C29H24N4O5/c1-36
    -25-15-22-23(16-26(25)37-
    2)30-13-12-24(22)38-20-10
    -11-27(31-17-20)32-28(34)
    21-9-6-14-33(29(21)35)18-
    19-7-4-3-5-8-19/h3-17H,18
    H2,1-2H3,(H,31,32,34);
    MIRAJAFOEINWJO-UHFFFAOYSA-N    		 COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)C4=
    CC=CN(C4=O)Cc5ccccc5; COc1cc2nccc(Oc3ccc
    (NC(=O)C4=CC=CN(Cc5ccccc5)C4=O)nc3)c2cc1
    OC; O=C(C1=CC=CN(C1=O)Cc2ccccc2)Nc5ncc(O
    c3c4cc(OC)c(OC)cc4ncc3)cc5    		 1-benzyl-N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide
    25058
    FPX
    CHEMBL4065618
    ZINC000089469766    		 1 C29 H22 F3 N5 O2 InChI=1S/C29H22F3N5O2/c1-
    17-11-12-22(34-26(38)18-7
    -6-8-20(13-18)29(30,31)32
    )15-23(17)24-14-19-16-33-
    28(35-21-9-4-3-5-10-21)36
    -25(19)37(2)27(24)39/h3-1
    6H,1-2H3,(H,34,38)(H,33,3
    5,36);
    IMLLFFIWQIAPHC-UHFFFAOYSA-N    		 CN1C(=O)C(=Cc2cnc(Nc3ccccc3)nc12)c4cc(NC
    (=O)c5cccc(c5)C(F)(F)F)ccc4C; FC(F)(F)c1
    cccc(c1)C(=O)Nc5cc(C4=Cc2c(nc(nc2)Nc3ccc
    cc3)N(C4=O)C)c(cc5)C; Cc1ccc(cc1C2=Cc3cn
    c(nc3N(C2=O)C)Nc4ccccc4)NC(=O)c5cccc(c5)
    C(F)(F)F    		 N-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide
    25059
    FPY
    DB04135
    ZINC000005834564    		 3 C4 H5 F N2 O2 InChI=1S/C4H5FN2O2/c5-2-1
    -6-4(9)7-3(2)8/h1,3,8H,(H
    2,6,7,9)/t3-/m0/s1;
    PRVUBDAKZJCBTI-VKHMYHEASA-N    		 C1=C([C@@H](NC(=O)N1)O)F; C1=C(C(NC(=O)N
    1)O)F; O[C@@H]1NC(=O)NC=C1F; O[CH]1NC(=O
    )NC=C1F; FC1=CNC(=O)NC1O    		 (4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE;
    5-FLUORO-4-(S)-HYDROXY-3,4-DIHYDROPYRIMIDINE
    25060
    FPZ
    CHEMBL1448331
    ZINC000008585891    		 1 C18 H15 P InChI=1S/C18H15P/c1-4-10-
    16(11-5-1)19(17-12-6-2-7-
    13-17)18-14-8-3-9-15-18/h
    1-15H;
    RIOQSEWOXXDEQQ-UHFFFAOYSA-N    		 c1ccc(cc1)P(c2ccccc2)c3ccccc3; c1cccc(c1
    )P(c2ccccc2)c3ccccc3    		 triphenylphosphane
    25061
    FQ0
    CHEMBL141076
    ZINC000013479528    		 12 C18 H32 O3 InChI=1S/C18H32O3/c1-15(2
    )7-5-8-16(3)9-6-10-17(4)1
    1-12-21-18(13-19)14-20/h7
    ,9,11,18-20H,5-6,8,10,12-
    14H2,1-4H3/b16-9+,17-11+;
    CANVIAXUPVPMNA-BTMZFSHUSA-N    		 CC(C)=CCCC(C)=CCCC(C)=CCOC(CO)CO; CC(=CC
    C/C(=C/CC/C(=C/COC(CO)CO)/C)/C)C; CC(C)=
    CCCC(/C)=C/CCC(/C)=C/COC(CO)CO; CC(=CCCC
    (=CCCC(=CCOC(CO)CO)C)C)C    		 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol
    25062
    FQ1    		 2 C29 H38 F2 N2 O8 S InChI=1S/C29H38F2N2O8S/c1
    -18(2)16-33(42(36,37)23-6
    -4-22(38-3)5-7-23)17-26(3
    4)25(14-19-12-20(30)15-21
    (31)13-19)32-29(35)41-27-
    9-11-40-28-24(27)8-10-39-
    28/h4-7,12-13,15,18,24-28
    ,34H,8-11,14,16-17H2,1-3H
    3,(H,32,35)/t24-,25-,26+,
    27-,28+/m0/s1;
    HRXJYCTXLRLZAD-AJIIGFCHSA-N    		 CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(
    =O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=
    O)c4ccc(cc4)OC; CC(C)CN(CC(C(Cc1cc(cc(c1
    )F)F)NC(=O)OC2CCOC3C2CCO3)O)S(=O)(=O)c4c
    cc(cc4)OC; COc1ccc(cc1)[S](=O)(=O)N(CC(C
    )C)C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O
    )O[C@H]3CCO[C@H]4OCC[C@@H]34; c1(OC)ccc(
    cc1)S(=O)(N(CC(C(Cc2cc(cc(c2)F)F)NC(=O)O
    C3CCOC4OCCC34)O)CC(C)C)=O; COc1ccc(cc1)[
    S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2cc(F)
    cc(F)c2)NC(=O)O[CH]3CCO[CH]4OCC[CH]34    		 (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
    25063
    FQ3
    ZINC000039120159    		 5 C11 H12 O3 InChI=1S/C11H12O3/c1-11(2
    )13-7-9-5-8(6-12)3-4-10(9
    )14-11/h3-6H,7H2,1-2H3;
    KNGWEAQJZJKFLI-UHFFFAOYSA-N    		 CC1(C)OCc2cc(C=O)ccc2O1; CC1(OCc2cc(ccc2
    O1)C=O)C    		 2,2-dimethyl-4H-1,3-benzodioxine-6-carbaldehyde;
    2,2-dimethyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde
    25064
    FQ4    		 2 C29 H39 F N2 O8 S InChI=1S/C29H39FN2O8S/c1-
    19(2)17-32(41(35,36)23-10
    -8-22(37-3)9-11-23)18-26(
    33)25(16-20-4-6-21(30)7-5
    -20)31-29(34)40-27-13-15-
    39-28-24(27)12-14-38-28/h
    4-11,19,24-28,33H,12-18H2
    ,1-3H3,(H,31,34)/t24-,25-
    ,26+,27-,28+/m0/s1;
    NIQHANOAJHWKET-AJIIGFCHSA-N    		 CC(C)CN(CC(C(Cc1ccc(cc1)F)NC(=O)OC2CCOC3
    C2CCO3)O)S(=O)(=O)c4ccc(cc4)OC; CC(C)CN(
    C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2C
    CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4
    )OC; COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[C
    @@H](O)[C@H](Cc2ccc(F)cc2)NC(=O)O[C@H]3C
    CO[C@H]4OCC[C@@H]34; COc1ccc(cc1)[S](=O)
    (=O)N(CC(C)C)C[CH](O)[CH](Cc2ccc(F)cc2)N
    C(=O)O[CH]3CCO[CH]4OCC[CH]34; c1(OC)ccc(
    cc1)S(=O)(N(CC(C)C)CC(C(Cc2ccc(cc2)F)NC(
    =O)OC3CCOC4C3CCO4)O)=O    		 (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
    25065
    FQ5
    CHEMBL3774537
    ZINC000653728054    		 6 C23 H23 Cl N6 O InChI=1S/C23H23ClN6O/c24-
    19-3-1-2-18(12-19)17-6-10
    -29(11-7-17)9-5-16-13-28-
    30(14-16)22-21-20(4-8-25-
    22)23(31)27-15-26-21/h1-4
    ,8,12-15,17H,5-7,9-11H2,(
    H,26,27,31);
    LDSDVQOOEYCWQS-UHFFFAOYSA-N    		 c1cc(cc(c1)Cl)C2CCN(CC2)CCc3cnn(c3)c4c5c
    (ccn4)C(=O)NC=N5; Clc1cccc(c1)C2CCN(CC2)
    CCc3cnn(c3)c4nccc5C(=O)NC=Nc45    		 8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
    25066
    FQ6    		 1 C9 H8 O3 InChI=1S/C9H8O3/c10-4-7-1
    -2-9-8(3-7)5-11-6-12-9/h1
    -4H,5-6H2;
    GNQQVGXSVAZLGQ-UHFFFAOYSA-N    		 c1cc2c(cc1C=O)COCO2; O=Cc1ccc2OCOCc2c1 4H-1,3-benzodioxine-6-carbaldehyde;
    4H-benzo[d][1,3]dioxine-6-carbaldehyde
    25067
    FQ7
    CHEMBL22876
    ZINC000012956293    		 3 C13 H9 Cl2 N O2 InChI=1S/C13H9Cl2NO2/c14-
    8-5-9(15)7-10(6-8)16-12-4
    -2-1-3-11(12)13(17)18/h1-
    7,16H,(H,17,18);
    FNGSQOJHNAYHAT-UHFFFAOYSA-N    		 c2ccc(C(O)=O)c(Nc1cc(Cl)cc(c1)Cl)c2; OC(
    =O)c1ccccc1Nc2cc(Cl)cc(Cl)c2; c1ccc(c(c1
    )C(=O)O)Nc2cc(cc(c2)Cl)Cl    		 2-[(3,5-dichlorophenyl)amino]benzoic acid
    25068
    FQ8    		 36 C15 H35 O22 P3 InChI=1S/C15H35O22P3/c16-
    1-7(17)13(23)9(19)3-34-39
    (29,30)36-5-11(21)15(25)1
    2(22)6-37-40(31,32)35-4-1
    0(20)14(24)8(18)2-33-38(2
    6,27)28/h7-25H,1-6H2,(H,2
    9,30)(H,31,32)(H2,26,27,2
    8)/t7-,8-,9+,10+,11+,12-,
    13-,14-,15+/m0/s1;
    OFDIUZNQYOUSRP-VACZDDTMSA-N    		 C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]
    ([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@
    H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O; C(C(
    C(C(COP(=O)(O)OCC(C(C(COP(=O)(O)OCC(C(C(
    COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O; OC[CH](
    O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH
    ](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[
    CH](O)CO[P](O)(O)=O; OC[C@H](O)[C@H](O)[
    C@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O)[
    C@@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O)
    [C@@H](O)CO[P](O)(O)=O
    25069
    FQ9    		 1 C10 H10 O3 InChI=1S/C10H10O3/c1-7-12
    -6-9-4-8(5-11)2-3-10(9)13
    -7/h2-5,7H,6H2,1H3/t7-/m0
    /s1;
    OUSHWSCHEPRJRW-ZETCQYMHSA-N    		 C[C@H]1OCc2cc(ccc2O1)C=O; CC1OCc2cc(ccc2
    O1)C=O; C[CH]1OCc2cc(C=O)ccc2O1; C[C@H]1
    OCc2cc(C=O)ccc2O1    		 (2S)-2-methyl-4H-1,3-benzodioxine-6-carbaldehyde;
    (2S)-2-methyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde
    25070
    FQA    		 0 C13 H20 N2 O2 InChI=1S/C13H20N2O2/c14-1
    2(13(16)17)8-4-5-9-15-10-
    11-6-2-1-3-7-11/h1-3,6-7,
    12,15H,4-5,8-10,14H2,(H,1
    6,17)/t12-/m0/s1;
    QHFWIZMMKPGTRI-LBPRGKRZSA-N    		 c1ccc(cc1)CNCCCCC(C(=O)O)N; c1ccc(cc1)CN
    CCCC[C@@H](C(=O)O)N; NC(C(O)=O)CCCCNCc1c
    cccc1; N[C@@H](CCCCNCc1ccccc1)C(O)=O; N[
    CH](CCCCNCc1ccccc1)C(O)=O    		 N~6~-benzyl-L-lysine
    25071
    FQB
    CHEMBL4585876    		 4 C27 H33 N7 O InChI=1S/C27H33N7O/c1-32(
    2)13-8-20-3-5-22(6-4-20)2
    3-10-15-33(16-11-23)14-9-
    21-17-31-34(18-21)26-25-2
    4(7-12-28-26)27(35)30-19-
    29-25/h3-7,12,17-19,23H,8
    -11,13-16H2,1-2H3,(H,29,3
    0,35);
    YSKANQRCYYKDSC-UHFFFAOYSA-N    		 CN(C)CCc1ccc(cc1)C2CCN(CC2)CCc3cnn(c3)c4
    nccc5C(=O)NC=Nc45; CN(C)CCc1ccc(cc1)C2CC
    N(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5    		 8-[4-[2-[4-[4-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
    25072
    FQC
    CHEMBL481473
    ZINC000002382736    		 2 C16 H8 Cl2 F N5 O InChI=1S/C16H8Cl2FN5O/c17
    -9-1-4-14(12(18)5-9)24-15
    (25)11-6-10(19)2-3-13(11)
    22-16(24)23-8-20-7-21-23/
    h1-8H;
    IJJVMEJXYNJXOJ-UHFFFAOYSA-N    		 c1cc2c(cc1F)C(=O)N(C(=N2)n3cncn3)c4ccc(c
    c4Cl)Cl; Fc1ccc2N=C(n3cncn3)N(C(=O)c2c1)
    c4ccc(Cl)cc4Cl    		 3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one;
    Fluquinconazole
    25073
    FQD
    CHEMBL1532322
    ZINC000008666451    		 2 C12 H7 F N2 O S InChI=1S/C12H7FN2OS/c13-8
    -3-1-7(2-4-8)9-5-17-12-10
    (9)11(16)14-6-15-12/h1-6H
    ,(H,14,15,16);
    DARIIFLATJJEOB-UHFFFAOYSA-N    		 c2(c1ccc(F)cc1)csc3c2C(=O)NC=N3; c1cc(cc
    c1c2csc3c2C(=O)NC=N3)F; Fc1ccc(cc1)c2csc
    3N=CNC(=O)c23    		 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
    25074
    FQE
    CHEMBL4438830    		 4 C27 H33 N7 O InChI=1S/C27H33N7O/c1-32(
    2)12-7-20-4-3-5-23(16-20)
    22-9-14-33(15-10-22)13-8-
    21-17-31-34(18-21)26-25-2
    4(6-11-28-26)27(35)30-19-
    29-25/h3-6,11,16-19,22H,7
    -10,12-15H2,1-2H3,(H,29,3
    0,35);
    VQBICUVJQVNKBH-UHFFFAOYSA-N    		 CN(C)CCc1cccc(c1)C2CCN(CC2)CCc3cnn(c3)c4
    c5c(ccn4)C(=O)NC=N5; CN(C)CCc1cccc(c1)C2
    CCN(CC2)CCc3cnn(c3)c4nccc5C(=O)NC=Nc45    		 8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
    25075
    FQF    		 8 C18 H32 O3 InChI=1S/C18H32O3/c1-15(2
    )7-5-8-16(3)9-6-10-17(4)1
    1-12-21-14-18(20)13-19/h7
    ,9,11,18-20H,5-6,8,10,12-
    14H2,1-4H3/b16-9+,17-11+/
    t18-/m1/s1;
    VGIZXGYRSPTVQF-LEAVJPGDSA-N    		 CC(C)=CCCC(C)=CCCC(C)=CCOC[CH](O)CO; CC(
    =CCC/C(=C/CC/C(=C/COC[C@@H](CO)O)/C)/C)C
    ; CC(=CCCC(=CCCC(=CCOCC(CO)O)C)C)C; CC(C
    )=CCCC(/C)=C/CC/C(C)=C/COC[C@H](O)CO    		 (2R)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol
    25076
    FQG
    CHEMBL3891994    		 1 C26 H23 Cl2 N5 O3 InChI=1S/C26H23Cl2N5O3/c1
    -26(2,36)15-30-25(35)22-1
    4-23(33(32-22)16-8-4-3-5-
    9-16)31-24(34)18-12-17(19
    (27)13-20(18)28)21-10-6-7
    -11-29-21/h3-14,36H,15H2,
    1-2H3,(H,30,35)(H,31,34);
    NXDRKVFQQJUBOG-UHFFFAOYSA-N    		 CC(C)(CNC(=O)c1cc(n(n1)c2ccccc2)NC(=O)c3
    cc(c(cc3Cl)Cl)c4ccccn4)O; CC(C)(O)CNC(=O
    )c1cc(NC(=O)c2cc(c(Cl)cc2Cl)c3ccccn3)n(n
    1)c4ccccc4; C(c3nn(c(NC(c1c(Cl)cc(Cl)c(c
    1)c2ncccc2)=O)c3)c4ccccc4)(=O)NCC(O)(C)C    		 5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide
    25077
    FQH
    CHEMBL3775548
    ZINC000653730611    		 4 C24 H23 F3 N6 O InChI=1S/C24H23F3N6O/c25-
    24(26,27)19-3-1-2-18(12-1
    9)17-6-10-32(11-7-17)9-5-
    16-13-31-33(14-16)22-21-2
    0(4-8-28-22)23(34)30-15-2
    9-21/h1-4,8,12-15,17H,5-7
    ,9-11H2,(H,29,30,34);
    ZBLHURFMYIWFIY-UHFFFAOYSA-N    		 c1cc(cc(c1)C(F)(F)F)C2CCN(CC2)CCc3cnn(c3
    )c4c5c(ccn4)C(=O)NC=N5; FC(F)(F)c1cccc(c
    1)C2CCN(CC2)CCc3cnn(c3)c4nccc5C(=O)NC=Nc
    45    		 8-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
    25078
    FQI
    CHEMBL3608990
    ZINC000002753342    		 1 C5 H4 Cl N O S InChI=1S/C5H4ClNOS/c6-4-2
    -1-3(9-4)5(7)8/h1-2H,(H2,
    7,8);
    OMOBWMBJNNCUFO-UHFFFAOYSA-N    		 O=C(N)c1sc(Cl)cc1; c1cc(sc1C(=O)N)Cl; NC
    (=O)c1sc(Cl)cc1    		 5-CHLORO-2-THIOPHENECARBOXAMIDE
    25079
    FQJ
    CHEMBL1896117
    ZINC000006881779    		 1 C17 H13 Cl2 N3 O InChI=1S/C17H13Cl2N3O/c1-
    11-9-16(22(21-11)13-5-3-2
    -4-6-13)20-17(23)14-8-7-1
    2(18)10-15(14)19/h2-10H,1
    H3,(H,20,23);
    AJPLAFYBSJYISV-UHFFFAOYSA-N    		 Cc1cc(n(n1)c2ccccc2)NC(=O)c3ccc(cc3Cl)Cl
    ; n1n(c(cc1C)NC(c2ccc(cc2Cl)Cl)=O)c3cccc
    c3; Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(n1)c3cc
    ccc3    		 2,4-dichloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
    25080
    FQK
    CHEMBL4525269    		 1 C20 H24 N6 O InChI=1S/C20H24N6O/c27-20
    -17-4-7-21-19(18(17)22-13
    -23-20)26-12-16(10-24-26)
    15-5-8-25(9-6-15)11-14-2-
    1-3-14/h4,7,10,12-15H,1-3
    ,5-6,8-9,11H2,(H,22,23,27
    );
    FQYVJQRHNLIPIK-UHFFFAOYSA-N    		 O=C1NC=Nc2c1ccnc2n3cc(cn3)C4CCN(CC4)CC5C
    CC5; c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN
    (CC4)CC5CCC5    		 8-[4-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
    25081
    FQL
    CHEMBL4739986    		 2 C17 H20 Cl2 N4 O3 InChI=1S/C17H20Cl2N4O3/c1
    -10(24)15(20-2)16(25)21-5
    -3-4-6-23-9-22-14-8-13(19
    )12(18)7-11(14)17(23)26/h
    3-4,7-10,15,20,24H,5-6H2,
    1-2H3,(H,21,25)/b4-3+/t10
    -,15+/m1/s1;
    JMUJNICGYNVYJM-BXFHZFJXSA-N    		 CN[CH]([CH](C)O)C(=O)NCC=CCN1C=Nc2cc(Cl)
    c(Cl)cc2C1=O; CC(C(C(=O)NCC=CCN1C=Nc2cc(
    c(cc2C1=O)Cl)Cl)NC)O; C[C@H]([C@@H](C(=O
    )NC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Cl)NC)O;
    CN[C@@H]([C@@H](C)O)C(=O)NC/C=C/CN1C=Nc
    2cc(Cl)c(Cl)cc2C1=O    		 (2S,3R)-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide
    25082
    FQM
    CHEMBL4460719    		 1 C22 H17 Cl N6 O2 InChI=1S/C22H17ClN6O2/c23
    -16-10-9-13(17-7-4-8-19(2
    4)26-17)11-15(16)22(31)27
    -20-12-18(21(25)30)28-29(
    20)14-5-2-1-3-6-14/h1-12H
    ,(H2,24,26)(H2,25,30)(H,2
    7,31);
    YVUMGRGBUXDTQI-UHFFFAOYSA-N    		 NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)c3cccc(N)n3
    )n(n1)c4ccccc4; c1ccc(cc1)n2c(cc(C(=O)N)
    n2)NC(c3cc(ccc3Cl)c4cccc(n4)N)=O; c1ccc(
    cc1)n2c(cc(n2)C(=O)N)NC(=O)c3cc(ccc3Cl)c
    4cccc(n4)N    		 5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide
    25083
    FQN
    CHEMBL4529932    		 5 C20 H24 N6 O InChI=1S/C20H24N6O/c27-20
    -17-5-8-21-19(18(17)22-13
    -23-20)26-12-15(11-24-26)
    14-6-9-25(10-7-14)16-3-1-
    2-4-16/h5,8,11-14,16H,1-4
    ,6-7,9-10H2,(H,22,23,27);
    XYBBSEAKIBCXQV-UHFFFAOYSA-N    		 O=C1NC=Nc2c1ccnc2n3cc(cn3)C4CCN(CC4)C5CC
    CC5; c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN
    (CC4)C5CCCC5    		 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
    25084
    FQP
    DB07782
    ZINC000013517846    		 2 C6 H8 F3 N3 O7 P2 InChI=1S/C6H8F3N3O7P2/c7-
    6(8,9)5-11-1-3(4(10)12-5)
    2-18-21(16,17)19-20(13,14
    )15/h1H,2H2,(H,16,17)(H2,
    10,11,12)(H2,13,14,15);
    UKNJCTHTCAKKNG-UHFFFAOYSA-N    		 c1c(c(nc(n1)C(F)(F)F)N)CO[P@](=O)(O)OP(=
    O)(O)O; Nc1nc(ncc1CO[P@@](O)(=O)O[P](O)(
    O)=O)C(F)(F)F; FC(F)(F)c1nc(N)c(cn1)COP(
    =O)(O)OP(=O)(O)O; Nc1nc(ncc1CO[P](O)(=O)
    O[P](O)(O)=O)C(F)(F)F; c1c(c(nc(n1)C(F)(
    F)F)N)COP(=O)(O)OP(=O)(O)O    		 4-AMINO-2-TRIFLUOROMETHYL-5-HYDROXYMETHYLPYRIMIDINE PYROPHOSPHATE
    25085
    FQQ
    CHEMBL4573390    		 4 C24 H25 Cl N6 O InChI=1S/C24H25ClN6O/c1-2
    4(18-3-2-4-19(25)13-18)7-
    11-30(12-8-24)10-6-17-14-
    29-31(15-17)22-21-20(5-9-
    26-22)23(32)28-16-27-21/h
    2-5,9,13-16H,6-8,10-12H2,
    1H3,(H,27,28,32);
    BPCMQRINPLMHHT-UHFFFAOYSA-N    		 CC1(CCN(CC1)CCc2cnn(c2)c3c4c(ccn3)C(=O)N
    C=N4)c5cccc(c5)Cl; CC1(CCN(CCc2cnn(c2)c3
    nccc4C(=O)NC=Nc34)CC1)c5cccc(Cl)c5    		 8-[4-[2-[4-(3-chlorophenyl)-4-methyl-piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
    25086
    FQR
    CHEMBL4539528    		 1 C16 H17 Br Cl N3 O4 InChI=1S/C16H17BrClN3O4/c
    1-9(22)14(19)16(24)25-5-3
    -2-4-21-8-20-13-7-11(17)1
    2(18)6-10(13)15(21)23/h2-
    3,6-9,14,22H,4-5,19H2,1H3
    /b3-2+/t9-,14+/m1/s1;
    MQNOSNHJDCSEMB-XKKUMHBKSA-N    		 C[CH](O)[CH](N)C(=O)OCC=CCN1C=Nc2cc(Br)c
    (Cl)cc2C1=O; CC(C(C(=O)OCC=CCN1C=Nc2cc(c
    (cc2C1=O)Cl)Br)N)O; C[C@@H](O)[C@H](N)C(
    =O)OC/C=C/CN1C=Nc2cc(Br)c(Cl)cc2C1=O; C[
    C@H]([C@@H](C(=O)OC/C=C/CN1C=Nc2cc(c(cc2
    C1=O)Cl)Br)N)O    		 [(E)-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2S,3R)-2-azanyl-3-oxidanyl-butanoate
    25087
    FQT    		 2 C24 H43 N3 O15 P2 InChI=1S/C24H43N3O15P2/c1
    -3-5-7-9-19(28)37-13-16(4
    0-20(29)10-8-6-4-2)14-38-
    43(33,34)42-44(35,36)39-1
    5-17-21(30)22(31)23(41-17
    )27-12-11-18(25)26-24(27)
    32/h11,16-17,21-23,30-31H
    ,3-10,12-15,25H2,1-2H3,(H
    ,26,32)(H,33,34)(H,35,36)
    /t16-,17+,21+,22+,23+/m0/
    s1;
    ZCBKOYRYPJUKTK-PFMQYRJWSA-N    		 CCCCCC(=O)OC[C@@H](CO[P](O)(=O)O[P](O)(=
    O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2CC=C
    (N)NC2=O)OC(=O)CCCCC; CCCCCC(=O)OC[C@@H]
    (COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]
    ([C@@H](O1)N2CC=C(NC2=O)N)O)O)OC(=O)CCCC
    C; CCCCCC(=O)OC[CH](CO[P](O)(=O)O[P](O)(
    =O)OC[CH]1O[CH]([CH](O)[CH]1O)N2CC=C(N)N
    C2=O)OC(=O)CCCCC; CCCCCC(=O)OCC(COP(=O)(
    O)OP(=O)(O)OCC1C(C(C(O1)N2CC=C(NC2=O)N)O
    )O)OC(=O)CCCCC    		 [(2~{S})-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-1,4-dihydropyrimidin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexanoyloxy-propyl] hexanoate
    25088
    FQU
    CHEMBL4470902    		 2 C17 H21 Br Cl N3 O4 InChI=1S/C17H21BrClN3O4/c
    1-10(23)15(20)17(25)26-6-
    4-2-3-5-22-9-21-14-8-12(1
    8)13(19)7-11(14)16(22)24/
    h7-10,15,23H,2-6,20H2,1H3
    /t10-,15+/m1/s1;
    STFFHZKFSKKMRC-BMIGLBTASA-N    		 CC(C(C(=O)OCCCCCN1C=Nc2cc(c(cc2C1=O)Cl)B
    r)N)O; C[C@H]([C@@H](C(=O)OCCCCCN1C=Nc2c
    c(c(cc2C1=O)Cl)Br)N)O; C[CH](O)[CH](N)C(
    =O)OCCCCCN1C=Nc2cc(Br)c(Cl)cc2C1=O; C[C@
    @H](O)[C@H](N)C(=O)OCCCCCN1C=Nc2cc(Br)c(
    Cl)cc2C1=O    		 5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate
    25089
    FQV
    CHEMBL4161324    		 2 C10 H11 N O2 S Se InChI=1S/C10H11NO2SSe/c1-
    2-3-8-15-10-6-4-9(5-7-10)
    14(11,12)13/h4-7H,8H2,1H3
    ,(H2,11,12,13);
    SYXVSYLKIVCGJW-UHFFFAOYSA-N    		 C(C)#CC[Se]c1ccc(cc1)S(N)(=O)=O; CC#CC[S
    e]c1ccc(cc1)[S](N)(=O)=O; CC#CC[Se]c1ccc
    (cc1)S(=O)(=O)N    		 4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide
    25090
    FQW
    CHEMBL3318816
    ZINC000222801484    		 4 C20 H18 N4 O InChI=1S/C20H18N4O/c21-20
    -23-18-16(19(25)24-20)15(
    12-11-13-7-3-1-4-8-13)17(
    22-18)14-9-5-2-6-10-14/h1
    -10H,11-12H2,(H4,21,22,23
    ,24,25);
    YBOPRCBPMVVKCJ-UHFFFAOYSA-N    		 O=C1c2c(c(nc2N=C(N)N1)c3ccccc3)CCc4ccccc
    4; NC1=Nc2[nH]c(c(CCc3ccccc3)c2C(=O)N1)c
    4ccccc4; c1ccc(cc1)CCc2c3c([nH]c2c4ccccc
    4)N=C(NC3=O)N    		 2-amino-5-phenethyl-6-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
    25091
    FQX
    CHEMBL462490
    ZINC000000023110    		 4 C8 H4 N4 O4 InChI=1S/C8H4N4O4/c13-7-8
    (14)10-4-2-6-5(1-3(4)9-7)
    11-16-12(6)15/h1-2H,(H,9,
    13)(H,10,14);
    GBLOKWQVACPFGV-UHFFFAOYSA-N    		 c1c2c(cc3c1NC(=O)C(=O)N3)[n+](on2)[O-];
    [O-][n+]1onc2cc3NC(=O)C(=O)Nc3cc12; [O-]
    [n+]3onc2c3cc1NC(=O)C(=O)Nc1c2    		 [1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5H,8H)-dione 1-oxide
    25092
    FQY
    CHEMBL4171524    		 2 C12 H17 N O2 S Se InChI=1S/C12H17NO2SSe/c13
    -16(14,15)10-6-8-12(9-7-1
    0)17-11-4-2-1-3-5-11/h6-9
    ,11H,1-5H2,(H2,13,14,15);
    IGTNDRSNATZZDO-UHFFFAOYSA-N    		 c1cc(ccc1S(=O)(=O)N)[Se]C2CCCCC2; N[S](=
    O)(=O)c1ccc([Se]C2CCCCC2)cc1; c1c(ccc(c1
    )[Se]C2CCCCC2)S(N)(=O)=O    		 4-(cyclohexylselanyl)benzene-1-sulfonamide
    25093
    FQZ    		 2 C8 H14 O4 InChI=1S/C8H14O4/c1-4-2-5
    (8(11)12)3-6(9)7(4)10/h4-
    7,9-10H,2-3H2,1H3,(H,11,1
    2)/t4-,5+,6+,7+/m0/s1;
    OBDLOCPYNMEWCH-BDVNFPICSA-N    		 C[CH]1C[CH](C[CH](O)[CH]1O)C(O)=O; CC1CC
    (CC(C1O)O)C(=O)O; C[C@H]1C[C@H](C[C@H]([
    C@@H]1O)O)C(=O)O; C[C@H]1C[C@H](C[C@@H](
    O)[C@@H]1O)C(O)=O    		 (1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid
    25094
    FR0
    CHEMBL93647
    DB02616
    ZINC000015796001    		 1 C16 H15 N7 S2 InChI=1S/C16H15N7S2/c17-1
    4(18)23-16-22-12(8-24-16)
    13-6-5-9(25-13)7-19-15-20
    -10-3-1-2-4-11(10)21-15/h
    1-6,8H,7H2,(H2,19,20,21)(
    H4,17,18,22,23);
    CKJGKHXCUDWFDC-UHFFFAOYSA-N    		 NC(N)=Nc1scc(n1)c2sc(CNc3[nH]c4ccccc4n3)
    cc2; c1ccc2c(c1)[nH]c(n2)NCc3ccc(s3)c4cs
    c(n4)N=C(N)N; N(=C(/N)N)\c4nc(c1sc(cc1)C
    Nc2nc3ccccc3n2)cs4    		 N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE;
    FR117016
    25095
    FR1
    DB03702
    ZINC000003951728    		 1 C26 H33 F3 N4 O7 InChI=1S/C26H33F3N4O7/c1-
    13(2)19(21(36)26(27,28)29
    )31-24(39)17-6-5-11-33(17
    )25(40)20(14(3)4)32-23(38
    )16-9-7-15(8-10-16)22(37)
    30-12-18(34)35/h7-10,13-1
    4,17,19-20H,5-6,11-12H2,1
    -4H3,(H,30,37)(H,31,39)(H
    ,32,38)(H,34,35)/t17-,19-
    ,20-/m0/s1;
    MRTSIBBMOWLRPY-IHPCNDPISA-N    		 CC(C)[CH](NC(=O)c1ccc(cc1)C(=O)NCC(O)=O)
    C(=O)N2CCC[CH]2C(=O)N[CH](C(C)C)C(=O)C(F
    )(F)F; CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)[
    C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(
    cc2)C(=O)NCC(=O)O; O=C(NC(C(=O)C(F)(F)F)
    C(C)C)C2N(C(=O)C(NC(=O)c1ccc(C(=O)NCC(=O
    )O)cc1)C(C)C)CCC2; CC(C)[C@H](NC(=O)c1cc
    c(cc1)C(=O)NCC(O)=O)C(=O)N2CCC[C@H]2C(=O
    )N[C@@H](C(C)C)C(=O)C(F)(F)F; CC(C)C(C(=
    O)C(F)(F)F)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(
    =O)c2ccc(cc2)C(=O)NCC(=O)O    		 2-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID
    25096
    FR2
    CHEMBL329433
    DB02096    		 1 C14 H17 N3 O2 InChI=1S/C14H17N3O2/c15-1
    4(19)13-8-17(10-16-13)12(
    9-18)7-6-11-4-2-1-3-5-11/
    h1-5,8,10,12,18H,6-7,9H2,
    (H2,15,19)/t12-/m1/s1;
    ZUYUIKKHHBEVHL-GFCCVEGCSA-N    		 c1ccc(cc1)CC[C@H](CO)n2cc(nc2)C(=O)N; NC
    (=O)c1cn(cn1)[CH](CO)CCc2ccccc2; c1ccc(c
    c1)CCC(CO)n2cc(nc2)C(=O)N; O=C(c1ncn(c1)
    C(CO)CCc2ccccc2)N; NC(=O)c1cn(cn1)[C@@H]
    (CO)CCc2ccccc2    		 1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE;
    FR221647
    25097
    FR3
    DB03572
    ZINC000005974960    		 1 C18 H19 N3 O2 InChI=1S/C18H19N3O2/c19-1
    8(23)17-10-21(12-20-17)15
    (11-22)9-8-14-6-3-5-13-4-
    1-2-7-16(13)14/h1-7,10,12
    ,15,22H,8-9,11H2,(H2,19,2
    3)/t15-/m1/s1;
    URGFTPMACWKJKU-OAHLLOKOSA-N    		 NC(=O)c1cn(cn1)[C@@H](CO)CCc2cccc3ccccc2
    3; NC(=O)c1cn(cn1)[CH](CO)CCc2cccc3ccccc
    23; c1ccc2c(c1)cccc2CC[C@H](CO)n3cc(nc3)
    C(=O)N; c1ccc2c(c1)cccc2CCC(CO)n3cc(nc3)
    C(=O)N; O=C(c1ncn(c1)C(CO)CCc3c2ccccc2cc
    c3)N    		 1-((1R)-1-(HYDROXYMETHYL)-3-(1-NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE;
    FR230513
    25098
    FR4
    CHEMBL338076
    DB07783
    ZINC000012153009    		 1 C25 H27 N5 O3 InChI=1S/C25H27N5O3/c26-2
    5(33)22-15-30(17-27-22)21
    (16-31)11-13-29-12-10-19-
    7-8-20(14-23(19)29)28-24(
    32)9-6-18-4-2-1-3-5-18/h1
    -5,7-8,10,12,14-15,17,21,
    31H,6,9,11,13,16H2,(H2,26
    ,33)(H,28,32)/t21-/m1/s1;
    GUYYFMCFEPDDFL-OAQYLSRUSA-N    		 c1ccc(cc1)CCC(=O)Nc2ccc3ccn(c3c2)CCC(CO)
    n4cc(nc4)C(=O)N; NC(=O)c1cn(cn1)[CH](CO)
    CCn2ccc3ccc(NC(=O)CCc4ccccc4)cc23; c1ccc
    (cc1)CCC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n
    4cc(nc4)C(=O)N; NC(=O)c1cn(cn1)[C@@H](CO
    )CCn2ccc3ccc(NC(=O)CCc4ccccc4)cc23; O=C(
    N)c1ncn(c1)C(CO)CCn3c2cc(ccc2cc3)NC(=O)C
    Cc4ccccc4    		 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE;
    1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPYL)AMINO]-1H-INDOL-1-YL}-1H-IMIDAZOLE-4-CARBOXAMIDE;
    FR233624
    25099
    FR5
    CHEMBL93280
    ZINC000002047652    		 1 C27 H29 N7 O3 InChI=1S/C27H29N7O3/c1-32
    -23-5-3-2-4-21(23)31-25(3
    2)8-9-26(36)30-19-7-6-18-
    10-12-33(24(18)14-19)13-1
    1-20(16-35)34-15-22(27(28
    )37)29-17-34/h2-7,10,12,1
    4-15,17,20,35H,8-9,11,13,
    16H2,1H3,(H2,28,37)(H,30,
    36)/t20-/m1/s1;
    MBHAURHGCAJBCN-HXUWFJFHSA-N    		 Cn1c(CCC(=O)Nc2ccc3ccn(CC[CH](CO)n4cnc(c
    4)C(N)=O)c3c2)nc5ccccc15; Cn1c2ccccc2nc1
    CCC(=O)Nc3ccc4ccn(c4c3)CCC(CO)n5cc(nc5)C
    (=O)N; Cn1c(CCC(=O)Nc2ccc3ccn(CC[C@H](CO
    )n4cnc(c4)C(N)=O)c3c2)nc5ccccc15; Cn1c2c
    cccc2nc1CCC(=O)Nc3ccc4ccn(c4c3)CC[C@H](C
    O)n5cc(nc5)C(=O)N; O=C(N)c1ncn(c1)C(CO)C
    Cn3c2cc(ccc2cc3)NC(=O)CCc4nc5ccccc5n4C    		 1-((1R)-1-(HYDROXYMETHYL)-3-(6-((3-(1-METHYL-1H-BENZIMIDAZOL-2-YL)PROPANOYL)AMINO)-1H-INDOL-1-YL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE;
    FR235999
    25100
    FR6
    CHEMBL93560
    DB03220
    ZINC000000024494    		 1 C19 H21 N3 O2 InChI=1S/C19H21N3O2/c1-13
    (23)18(22-11-17(19(20)24)
    21-12-22)10-9-15-7-4-6-14
    -5-2-3-8-16(14)15/h2-8,11
    -13,18,23H,9-10H2,1H3,(H2
    ,20,24)/t13-,18+/m0/s1;
    OODDZQQDDOVCFD-SCLBCKFNSA-N    		 C[CH](O)[CH](CCc1cccc2ccccc12)n3cnc(c3)C
    (N)=O; CC(C(CCc1cccc2c1cccc2)n3cc(nc3)C(
    =O)N)O; C[C@@H]([C@@H](CCc1cccc2c1cccc2)
    n3cc(nc3)C(=O)N)O; C[C@H](O)[C@@H](CCc1c
    ccc2ccccc12)n3cnc(c3)C(N)=O; O=C(c1ncn(c
    1)C(C(O)C)CCc3c2ccccc2ccc3)N    		 1-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE;
    FR233623
    25101
    FR7
    CHEMBL328139
    DB03370
    ZINC000000025432    		 1 C15 H17 Cl2 N3 O2 InChI=1S/C15H17Cl2N3O2/c1
    -9(21)13(20-7-12(15(18)22
    )19-8-20)6-5-10-3-2-4-11(
    16)14(10)17/h2-4,7-9,13,2
    1H,5-6H2,1H3,(H2,18,22)/t
    9-,13+/m0/s1;
    HCJYSIGJDKNVRU-TVQRCGJNSA-N    		 CC(C(CCc1cccc(c1Cl)Cl)n2cc(nc2)C(=O)N)O;
    C[CH](O)[CH](CCc1cccc(Cl)c1Cl)n2cnc(c2)
    C(N)=O; Clc1cccc(c1Cl)CCC(n2cc(nc2)C(=O)
    N)C(O)C; C[C@@H]([C@@H](CCc1cccc(c1Cl)Cl
    )n2cc(nc2)C(=O)N)O; C[C@H](O)[C@@H](CCc1
    cccc(Cl)c1Cl)n2cnc(c2)C(N)=O    		 1-{(1R,2S)-1-[2-(2,3,-DICHLOROPHENYL)ETHYL]-2-HYDROXYPROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE;
    FR239087
    25102
    FR8
    CHEMBL121939
    ZINC000013580949    		 1 C27 H31 N5 O3 InChI=1S/C27H31N5O3/c28-2
    7(35)24-17-32(19-29-24)23
    (18-33)13-15-31-14-12-21-
    10-11-22(16-25(21)31)30-2
    6(34)9-5-4-8-20-6-2-1-3-7
    -20/h1-3,6-7,10-12,14,16-
    17,19,23,33H,4-5,8-9,13,1
    5,18H2,(H2,28,35)(H,30,34
    )/t23-/m1/s1;
    SLLHIZOLSGWMLR-HSZRJFAPSA-N    		 NC(=O)c1cn(cn1)[CH](CO)CCn2ccc3ccc(NC(=O
    )CCCCc4ccccc4)cc23; NC(=O)c1cn(cn1)[C@@H
    ](CO)CCn2ccc3ccc(NC(=O)CCCCc4ccccc4)cc23
    ; c1ccc(cc1)CCCCC(=O)Nc2ccc3ccn(c3c2)CC[
    C@H](CO)n4cc(nc4)C(=O)N; O=C(N)c1ncn(c1)
    C(CO)CCn3c2cc(ccc2cc3)NC(=O)CCCCc4ccccc4
    ; c1ccc(cc1)CCCCC(=O)Nc2ccc3ccn(c3c2)CCC
    (CO)n4cc(nc4)C(=O)N    		 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(5-PHENYLPENTANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE;
    FR235380
    25103
    FR9
    CHEMBL125386
    DB02830
    ZINC000012502694    		 1 C24 H26 N6 O3 InChI=1S/C24H26N6O3/c25-2
    3(32)21-14-30(16-27-21)20
    (15-31)9-11-29-10-8-18-6-
    7-19(12-22(18)29)28-24(33
    )26-13-17-4-2-1-3-5-17/h1
    -8,10,12,14,16,20,31H,9,1
    1,13,15H2,(H2,25,32)(H2,2
    6,28,33)/t20-/m1/s1;
    KCCUBLLGAMGDJL-HXUWFJFHSA-N    		 c1ccc(cc1)CNC(=O)Nc2ccc3ccn(c3c2)CCC(CO)
    n4cc(nc4)C(=O)N; NC(=O)c1cn(cn1)[C@@H](C
    O)CCn2ccc3ccc(NC(=O)NCc4ccccc4)cc23; O=C
    (N)c1ncn(c1)C(CO)CCn3c2cc(ccc2cc3)NC(=O)
    NCc4ccccc4; c1ccc(cc1)CNC(=O)Nc2ccc3ccn(
    c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N; NC(=O)c
    1cn(cn1)[CH](CO)CCn2ccc3ccc(NC(=O)NCc4cc
    ccc4)cc23    		 1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}-1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]-1H-IMIDAZOLE-4-CARBOXAMIDE;
    FR236913
    25104
    FRA
    DB07784    		 2 C21 H23 N3 O7 InChI=1S/C21H23N3O7/c1-11
    (25)22-13-2-4-14(5-3-13)2
    4-18(28)16-12-6-8-21(9-7-
    12,17(16)19(24)29)23-20(3
    0)31-10-15(26)27/h2-5,12,
    16-17H,6-10H2,1H3,(H,22,2
    5)(H,23,30)(H,26,27)/t12-
    ,16-,17+,21-/m1/s1;
    WBCOLMYVEBTZOA-OKRSVSQCSA-N    		 CC(=O)Nc1ccc(cc1)N2C(=O)[CH]3C4CCC(CC4)(
    NC(=O)OCC(O)=O)[CH]3C2=O; O=C(O)COC(=O)N
    C12CCC(CC1)C3C(=O)N(C(=O)C23)c4ccc(NC(=O
    )C)cc4; CC(=O)Nc1ccc(cc1)N2C(=O)C3C4CCC(
    C3C2=O)(CC4)NC(=O)OCC(=O)O; CC(=O)Nc1ccc
    (cc1)N2C(=O)[C@@H]3C4CCC(CC4)(NC(=O)OCC(
    O)=O)[C@@H]3C2=O; CC(=O)Nc1ccc(cc1)N2C(=
    O)[C@@H]3C4CCC([C@@H]3C2=O)(CC4)NC(=O)OC
    C(=O)O    		 [4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO-4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC-1-YLCARBAMOYLOXY]-ACETIC ACID
    25105
    FRB
    CHEMBL106187
    DB03957
    ZINC000014880973    		 2 C25 H33 Cl2 N7 O2 InChI=1S/C25H33Cl2N7O2/c2
    6-18-8-4-7-17(22(18)27)20
    -13-19(32-33-20)15-9-11-3
    4(12-10-15)21(35)14-30-24
    (36)23(31-25(28)29)16-5-2
    -1-3-6-16/h4,7-8,13,15-16
    ,23H,1-3,5-6,9-12,14H2,(H
    ,30,36)(H,32,33)(H4,28,29
    ,31)/t23-/m1/s1;
    SSSXBBASYYVGCI-HSZRJFAPSA-N    		 c1cc(c(c(c1)Cl)Cl)c2cc([nH]n2)C3CCN(CC3)
    C(=O)CNC(=O)C(C4CCCCC4)NC(=N)N; NC(=N)N[
    CH](C1CCCCC1)C(=O)NCC(=O)N2CCC(CC2)c3[nH
    ]nc(c3)c4cccc(Cl)c4Cl; c1cc(c(c(c1)Cl)Cl
    )c2cc([nH]n2)C3CCN(CC3)C(=O)CNC(=O)[C@@H
    ](C4CCCCC4)NC(=N)N; NC(=N)N[C@H](C1CCCCC
    1)C(=O)NCC(=O)N2CCC(CC2)c3[nH]nc(c3)c4cc
    cc(Cl)c4Cl; O=C(NCC(=O)N3CCC(c1cc(nn1)c2
    cccc(Cl)c2Cl)CC3)C(NC(=[N@H])N)C4CCCCC4    		 2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLORO-PHENYL)-2H-PYRAZOL-3-YL]-PIPERIDIN-1-YL}-2-OXO-ETHYL)-2-GUANIDINO-ACETAMIDE;
    SP2456
    25106
    FRC
    CHEMBL92404
    DB07785
    ZINC000005890115    		 1 C19 H21 N3 O3 InChI=1S/C19H21N3O3/c1-13
    (23)18(22-11-17(19(20)24)
    21-12-22)8-9-25-16-7-6-14
    -4-2-3-5-15(14)10-16/h2-7
    ,10-13,18,23H,8-9H2,1H3,(
    H2,20,24)/t13-,18+/m0/s1;
    UYAJDVNLQJVRHD-SCLBCKFNSA-N    		 CC(C(CCOc1ccc2ccccc2c1)n3cc(nc3)C(=O)N)O
    ; C[C@@H]([C@@H](CCOc1ccc2ccccc2c1)n3cc(
    nc3)C(=O)N)O; O=C(c1ncn(c1)C(C(O)C)CCOc3
    cc2ccccc2cc3)N; C[CH](O)[CH](CCOc1ccc2cc
    ccc2c1)n3cnc(c3)C(N)=O; C[C@H](O)[C@@H](
    CCOc1ccc2ccccc2c1)n3cnc(c3)C(N)=O    		 1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE;
    FR247581
    25107
    FRD
    CHEMBL19393
    ZINC000006036847    		 0 C9 H13 N InChI=1S/C9H13N/c1-8(10)7
    -9-5-3-2-4-6-9/h2-6,8H,7,
    10H2,1H3/t8-/m1/s1;
    KWTSXDURSIMDCE-MRVPVSSYSA-N    		 CC(Cc1ccccc1)N; NC(Cc1ccccc1)C; C[C@H](C
    c1ccccc1)N; C[CH](N)Cc1ccccc1; C[C@@H](N
    )Cc1ccccc1    		 1-PHENYL-2-AMINOPROPANE
    25108
    FRE
    DB03923
    ZINC000169621243    		 1 C31 H44 N7 O20 P3 S InChI=1S/C31H44N7O20P3S/c
    1-31(2,26(44)29(45)34-7-6
    -20(40)33-8-9-62-21(41)5-
    4-16-10-17(39)23(42)18(11
    -16)53-3)13-55-61(51,52)5
    8-60(49,50)54-12-19-25(57
    -59(46,47)48)24(43)30(56-
    19)38-15-37-22-27(32)35-1
    4-36-28(22)38/h4-5,10-11,
    14-15,19,24-26,30,39,42-4
    4H,6-9,12-13H2,1-3H3,(H,3
    3,40)(H,34,45)(H,49,50)(H
    ,51,52)(H2,32,35,36)(H2,4
    6,47,48)/b5-4+/t19-,24-,2
    5-,26+,30-/m1/s1;
    ILSPFIPSQSFPCN-VYBUCKLUSA-N    		 CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2
    cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O
    )NCCSC(=O)C=Cc4cc(c(c(c4)OC)O)O)O; O=C(S
    CCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(
    =O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=
    O)(O)O)\C=C\c4cc(O)c(O)c(OC)c4; CC(C)(CO
    [P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H](
    [C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(
    O)O)C(C(=O)NCCC(=O)NCCSC(=O)\C=C\c4cc(c(
    c(c4)OC)O)O)O; COc1cc(C=CC(=O)SCCNC(=O)C
    CNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)
    (=O)OC[CH]2O[CH]([CH](O)[CH]2O[P](O)(O)=
    O)n3cnc4c(N)ncnc34)cc(O)c1O; COc1cc(\C=C
    \C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO
    [P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C
    @H](O)[C@@H]2O[P](O)(O)=O)n3cnc4c(N)ncnc
    34)cc(O)c1O    		 FERULOYL COENZYME A
    25109
    FRF    		 0 C18 H22 N2 O2 InChI=1S/C18H22N2O2/c19-1
    6(11-14-7-3-1-4-8-14)13-2
    0-17(18(21)22)12-15-9-5-2
    -6-10-15/h1-10,16-17,20H,
    11-13,19H2,(H,21,22)/t16-
    ,17-/m0/s1;
    DOVYKTPJUZCUGU-IRXDYDNUSA-N    		 c1ccc(cc1)CC(CNC(Cc2ccccc2)C(=O)O)N; c1c
    cc(cc1)C[C@@H](CN[C@@H](Cc2ccccc2)C(=O)O
    )N; N[CH](CN[CH](Cc1ccccc1)C(O)=O)Cc2ccc
    cc2; O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccccc2;
    N[C@H](CN[C@@H](Cc1ccccc1)C(O)=O)Cc2cccc
    c2    		 PHE-REDUCED-PHE
    25110
    FRG
    CHEMBL419362
    DB03453
    ZINC000013579788    		 2 C26 H30 N4 O3 InChI=1S/C26H30N4O3/c1-33
    -25(32)23(29-24(31)17-22-
    8-5-15-30(18-22)26(27)28)
    16-21-13-11-20(12-14-21)1
    0-9-19-6-3-2-4-7-19/h2-4,
    6-7,11-14,22-23H,5,8,15-1
    8H2,1H3,(H3,27,28)(H,29,3
    1)/t22-,23+/m1/s1;
    MRNGXYMKYHNMLV-PKTZIBPZSA-N    		 COC(=O)[C@H](Cc1ccc(cc1)C#Cc2ccccc2)NC(=
    O)C[C@H]3CCCN(C3)C(N)=N; [H]N=C(N)N1CCCC
    (C1)CC(=O)NC(Cc2ccc(cc2)C#Cc3ccccc3)C(=O
    )OC; O=C(OC)C(NC(=O)CC1CCCN(C(=[N@H])N)C
    1)Cc3ccc(C#Cc2ccccc2)cc3; [H]/N=C(/N)\N1
    CCC[C@@H](C1)CC(=O)N[C@@H](Cc2ccc(cc2)C#
    Cc3ccccc3)C(=O)OC; COC(=O)[CH](Cc1ccc(cc
    1)C#Cc2ccccc2)NC(=O)C[CH]3CCCN(C3)C(N)=N    		 2-[3-METHYL-4-(N-METHYL-GUANIDINO)-BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-PHENYL)-PROPIONIC ACID METHYL ESTER;
    (R)-N-[2-[1-(AMINOIMINOMETHYL)-3-PIPERIDINYL]-1-OXOETHYL]-4-(PHENYLETHYNYL)-L-PHENYLALANINE METHYL ESTER
    25111
    FRH
    CHEMBL429852
    DB02581
    ZINC000003990365    		 4 C30 H37 Cl2 N7 O6 InChI=1S/C30H37Cl2N7O6/c1
    -16(2)12-21(36-30(33)34)2
    8(41)35-14-25(40)39-10-8-
    17(9-11-39)22-13-20(37-38
    (22)3)19-5-7-23(27(32)26(
    19)31)44-15-18-4-6-24(45-
    18)29(42)43/h4-7,13,16-17
    ,21H,8-12,14-15H2,1-3H3,(
    H,35,41)(H,42,43)(H4,33,3
    4,36)/t21-/m1/s1;
    VNZHOIDQBPFEJU-OAQYLSRUSA-N    		 [H]/N=C(\N)/N[C@H](CC(C)C)C(=O)NCC(=O)N1
    CCC(CC1)c2cc(nn2C)c3ccc(c(c3Cl)Cl)OCc4cc
    c(o4)C(=O)O; CC(C)C[CH](NC(N)=N)C(=O)NCC
    (=O)N1CCC(CC1)c2cc(nn2C)c3ccc(OCc4oc(cc4
    )C(O)=O)c(Cl)c3Cl; O=C(NCC(=O)N4CCC(c1cc
    (nn1C)c3ccc(OCc2oc(cc2)C(=O)O)c(Cl)c3Cl)
    CC4)C(NC(=[N@H])N)CC(C)C; CC(C)C[C@@H](N
    C(N)=N)C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c
    3ccc(OCc4oc(cc4)C(O)=O)c(Cl)c3Cl; [H]N=C
    (N)NC(CC(C)C)C(=O)NCC(=O)N1CCC(CC1)c2cc(
    nn2C)c3ccc(c(c3Cl)Cl)OCc4ccc(o4)C(=O)O    		 5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-PENTANOYLAMINO)-ACETYL]-PIPERIDIN-4-YL}-1-METHYL-1H-PYRAZOL-3-YL)-PHENOXYMETHYL]-FURAN-2-CARBOXYLIC ACID
    25112
    FRI
    DB02555
    ZINC000053683837    		 5 C33 H42 Cl2 N8 O4 InChI=1S/C33H42Cl2N8O4/c1
    -19(2)15-26(40-33(36)37)3
    2(46)38-17-29(45)43-13-11
    -22(12-14-43)27-16-25(41-
    42(27)4)24-9-10-28(31(35)
    30(24)34)47-18-21-5-7-23(
    8-6-21)39-20(3)44/h5-10,1
    6,19,22,26H,11-15,17-18H2
    ,1-4H3,(H,38,46)(H,39,44)
    (H4,36,37,40)/t26-/m1/s1;
    VCXMTWSYQSVWRK-AREMUKBSSA-N    		 CC(C)C[C@H](C(=O)NCC(=O)N1CCC(CC1)c2cc(n
    n2C)c3ccc(c(c3Cl)Cl)OCc4ccc(cc4)NC(=O)C)
    NC(=N)N; O=C(Nc1ccc(cc1)COc4ccc(c2nn(c(c
    2)C3CCN(C(=O)CNC(=O)C(NC(=[N@H])N)CC(C)C
    )CC3)C)c(Cl)c4Cl)C; CC(C)C[CH](NC(N)=N)C
    (=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(OCc
    4ccc(NC(C)=O)cc4)c(Cl)c3Cl; CC(C)C[C@@H]
    (NC(N)=N)C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C
    )c3ccc(OCc4ccc(NC(C)=O)cc4)c(Cl)c3Cl; CC
    (C)CC(C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3
    ccc(c(c3Cl)Cl)OCc4ccc(cc4)NC(=O)C)NC(=N)
    N    		 2-GUANIDINO-4-METHYL-PENTANOIC ACID [2-(4-{5-[4-(4-ACETYLAMINO-BENZYLOXY)-2,3-DICHLORO-PHENYL]-2-METHYL-2H-PYRAZOL-3-YL}-PIPERIDIN-1-YL)-2-OXO-ETHYL]-AMIDE;
    SP4160
    25113
    FRJ
    CHEMBL1232829
    DB03311
    ZINC000095544211    		 3 C26 H19 Br2 N3 O7 S3 InChI=1S/C26H19Br2N3O7S3/
    c1-2-21-23(24(32)14-11-19
    (27)25(33)20(28)12-14)18-
    8-7-17(13-22(18)38-21)41(
    36,37)30-15-3-5-16(6-4-15
    )40(34,35)31-26-29-9-10-3
    9-26/h3-13,30,33H,2H2,1H3
    ,(H,29,31);
    SXKBTDJJEQQEGE-UHFFFAOYSA-N    		 CCc1c(c2ccc(cc2o1)S(=O)(=O)Nc3ccc(cc3)S(
    =O)(=O)Nc4nccs4)C(=O)c5cc(c(c(c5)Br)O)Br
    ; O=S(=O)(Nc1nccs1)c5ccc(NS(=O)(=O)c4ccc
    3c(C(=O)c2cc(Br)c(O)c(Br)c2)c(oc3c4)CC)c
    c5; CCc1oc2cc(ccc2c1C(=O)c3cc(Br)c(O)c(B
    r)c3)[S](=O)(=O)Nc4ccc(cc4)[S](=O)(=O)Nc
    5sccn5    		 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE
    25114
    FRK
    ZINC000016051635    		 1 C21 H22 N2 O3 S InChI=1S/C21H22N2O3S/c1-2
    -3-4-5-18(26)22-21-23-19(
    14-6-10-16(24)11-7-14)20(
    27-21)15-8-12-17(25)13-9-
    15/h6-13,24-25H,2-5H2,1H3
    ,(H,22,23,26);
    RPLGSGRXKXSQAO-UHFFFAOYSA-N    		 CCCCCC(=O)Nc1nc(c(s1)c2ccc(cc2)O)c3ccc(c
    c3)O; CCCCCC(=O)Nc1sc(c2ccc(O)cc2)c(n1)c
    3ccc(O)cc3; O=C(Nc2nc(c1ccc(O)cc1)c(s2)c
    3ccc(O)cc3)CCCCC    		 N-[4,5-BIS(4-HYDROXYPHENYL)-1,3-THIAZOL-2-YL]HEXANAMIDE;
    FR104783
    25115
    FRL
    DB07786
    ZINC000033821304    		 1 C22 H21 Cl N4 O3 InChI=1S/C22H21ClN4O3/c1-
    13(28)19(27-11-18(21(24)2
    9)25-12-27)10-7-14-3-2-4-
    17-20(14)30-22(26-17)15-5
    -8-16(23)9-6-15/h2-6,8-9,
    11-13,19,28H,7,10H2,1H3,(
    H2,24,29)/t13-,19-/m0/s1;
    SMFRBBHLVBWHGB-DJJJIMSYSA-N    		 C[C@@H](C(CCc1cccc2c1oc(n2)c3ccc(cc3)Cl)
    n4cc(nc4)C(=O)N)O; C[C@H](O)[C@H](CCc1cc
    cc2nc(oc12)c3ccc(Cl)cc3)n4cnc(c4)C(N)=O;
    C[CH](O)[CH](CCc1cccc2nc(oc12)c3ccc(Cl)
    cc3)n4cnc(c4)C(N)=O; O=C(N)c1ncn(c1)C(C(
    O)C)CCc2cccc3nc(oc23)c4ccc(Cl)cc4; CC(C(
    CCc1cccc2c1oc(n2)c3ccc(cc3)Cl)n4cc(nc4)C
    (=O)N)O    		 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE;
    FR266364
    25116
    FRM
    CHEMBL401843
    DB03072
    ZINC000005892749    		 2 C23 H24 F N3 O InChI=1S/C23H24FN3O/c1-16
    -4-2-5-20-22(16)25-21(26-
    23(20)28)6-3-13-27-14-11-
    18(12-15-27)17-7-9-19(24)
    10-8-17/h2,4-5,7-11H,3,6,
    12-15H2,1H3,(H,25,26,28);
    LOFDUAJQRUYHBR-UHFFFAOYSA-N    		 Cc1cccc2c1N=C(NC2=O)CCCN3CCC(=CC3)c4ccc(
    cc4)F; Cc1cccc2c1N=C(NC2=O)CCC[N@@]3CCC(
    =CC3)c4ccc(cc4)F; Cc1cccc2C(=O)NC(=Nc12)
    CCCN3CCC(=CC3)c4ccc(F)cc4; Fc4ccc(C3=CCN
    (CCCC1=Nc2c(C(=O)N1)cccc2C)CC3)cc4    		 2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-1(2H)-PYRIDINYL]PROPYL}-8-METHYL-4(3H)-QUINAZOLINONE
    25117
    FRO    		 0 C12 H14 N O5 S InChI=1S/C12H15NO5S/c1-5(
    14)7-10(15)13-8(12(16)17)
    9(19-11(7)13)6-3-2-4-18-6
    /h5-7,11,14H,2-4H2,1H3,(H
    ,16,17)/p-1/t5-,6+,7-,11+
    /m0/s1;
    HGGAKXAHAYOLDJ-QMWPFBOUSA-M    		 C[C@H](O)[C@@H]1[C@H]2SC(=C(N2C1=O)C([O-
    ])=O)[C@H]3CCCO3; O=C2N1C(=C(SC1C2C(O)C)
    C3OCCC3)C([O-])=O; C[C@@H]([C@@H]1[C@@H]
    2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)[O-])O;
    CC(C1C2N(C1=O)C(=C(S2)C3CCCO3)C(=O)[O-]
    )O; C[CH](O)[CH]1[CH]2SC(=C(N2C1=O)C([O-
    ])=O)[CH]3CCCO3    		 (5R,6S)-6-[(1R)-1-HYDROXYETHYL]-7-OXO-3-[(2R)-TETRAHYDROFURAN-2-YL]-4-THIA-1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLATE;
    FAROM
    25118
    FRP
    CHEMBL200077
    ZINC000010339558    		 3 C33 H41 F N4 O3 InChI=1S/C33H41FN4O3/c1-4
    -18-38(19-5-2)33(41)26-13
    -9-12-25(22-26)32(40)37-3
    0(21-24-10-7-6-8-11-24)29
    (35)20-23(3)31(39)36-28-1
    6-14-27(34)15-17-28/h6-17
    ,22-23,29-30H,4-5,18-21,3
    5H2,1-3H3,(H,36,39)(H,37,
    40)/t23-,29+,30+/m1/s1;
    PZHFCAIXAVDQAK-STQWGSIPSA-N    		 CCCN(CCC)C(=O)c1cccc(c1)C(=O)NC(Cc2ccccc
    2)C(CC(C)C(=O)Nc3ccc(cc3)F)N; CCCN(CCC)C
    (=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@
    @H](N)C[C@@H](C)C(=O)Nc3ccc(F)cc3; CCCN(
    CCC)C(=O)c1cccc(c1)C(=O)N[CH](Cc2ccccc2)
    [CH](N)C[CH](C)C(=O)Nc3ccc(F)cc3; Fc3ccc
    (NC(=O)C(C)CC(N)C(NC(=O)c1cccc(C(=O)N(CC
    C)CCC)c1)Cc2ccccc2)cc3; CCCN(CCC)C(=O)c1
    cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C
    @@H](C)C(=O)Nc3ccc(cc3)F)N    		 N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE
    25119
    FRQ
    CHEMBL361054
    DB07787
    ZINC000006579056    		 2 C23 H24 F N3 O2 InChI=1S/C23H24FN3O2/c24-
    19-9-6-10-20-21(19)22(28)
    25-23(29)27(20)14-5-4-13-
    26-15-11-18(12-16-26)17-7
    -2-1-3-8-17/h1-3,6-11H,4-
    5,12-16H2,(H,25,28,29);
    PNPFDRCIGCUCMN-UHFFFAOYSA-N    		 Fc1cccc2c1C(=O)NC(=O)N2CCCCN4CC=C(c3cccc
    c3)CC4; c1ccc(cc1)C2=CCN(CC2)CCCCN3c4ccc
    c(c4C(=O)NC3=O)F; c1ccc(cc1)C2=CC[N@@](C
    C2)CCCCN3c4cccc(c4C(=O)NC3=O)F; Fc1cccc2
    N(CCCCN3CCC(=CC3)c4ccccc4)C(=O)NC(=O)c12    		 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE
    25120
    FRR
    ZINC000102051776    		 0 C19 H22 O7 InChI=1S/C19H22O7/c1-11-5
    -3-7-14(20)18(23)15(21)8-
    4-6-12-9-13(25-2)10-16(22
    )17(12)19(24)26-11/h3-4,6
    -7,9-11,15,18,21-23H,5,8H
    2,1-2H3/b6-4+,7-3-/t11-,1
    5+,18-/m1/s1;
    NEQZWEXWOFPKOT-QHSZRYGNSA-N    		 O=C1OC(CC=CC(=O)C(O)C(O)CC=Cc2cc(OC)cc(O
    )c12)C; COc1cc(O)c2C(=O)O[C@H](C)C\C=C/C
    (=O)[C@@H](O)[C@@H](O)C/C=C/c2c1; CC1CC=
    CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O
    ; COc1cc(O)c2C(=O)O[CH](C)CC=CC(=O)[CH](
    O)[CH](O)CC=Cc2c1; C[C@@H]1CC=CC(=O)[C@H
    ]([C@H](C\C=C\c2cc(cc(c2C(=O)O1)O)OC)O)O    		 (3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE
    25121
    FRS
    CHEMBL1092830
    DB07789
    ZINC000034285233    		 1 C18 H17 F3 N10 O2 S InChI=1S/C18H17F3N10O2S/c
    1-9-4-11(14(33-9)18(19,20
    )21)28-16(32)30-17-23-6-1
    0(34-17)2-3-22-12-5-13(25
    -7-24-12)29-15-26-8-27-31
    -15/h4-8H,2-3H2,1H3,(H2,2
    3,28,30,32)(H3,22,24,25,2
    6,27,29,31);
    KNTGXMNWVXZIMW-UHFFFAOYSA-N    		 Cc1cc(c(o1)C(F)(F)F)NC(=O)N=C2NC=C(S2)CC
    Nc3cc(ncn3)Nc4nc[nH]n4; Cc1cc(c(o1)C(F)(
    F)F)NC(=O)/N=C\2/NC=C(S2)CCNc3cc(ncn3)Nc
    4nc[nH]n4; O=C(\N=C1/SC(=CN1)CCNc3ncnc(N
    c2ncnn2)c3)Nc4cc(oc4C(F)(F)F)C; Cc1oc(c(
    NC(=O)N=C2NC=C(CCNc3cc(Nc4n[nH]cn4)ncn3)
    S2)c1)C(F)(F)F    		 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea
    25122
    FRT
    CHEMBL478409
    DB07790
    ZINC000038995985    		 1 C20 H26 N6 O3 S InChI=1S/C20H26N6O3S/c1-1
    4(2)26-15(3)22-13-19(26)1
    8-9-10-21-20(25-18)24-16-
    5-7-17(8-6-16)30(27,28)23
    -11-12-29-4/h5-10,13-14,2
    3H,11-12H2,1-4H3,(H,21,24
    ,25);
    LDXLQEXLXZCYSR-UHFFFAOYSA-N    		 Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O
    )(=O)NCCOC; COCCN[S](=O)(=O)c1ccc(Nc2ncc
    c(n2)c3cnc(C)n3C(C)C)cc1; O=S(=O)(NCCOC)
    c1ccc(cc1)Nc2nccc(n2)c3cnc(n3C(C)C)C    		 N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE
    25123
    FRU
    ZINC000001529270    		 1057 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3-4
    (9)5(10)6(11,2-8)12-3/h3-
    5,7-11H,1-2H2/t3-,4-,5+,6
    -/m1/s1;
    RFSUNEUAIZKAJO-ARQDHWQXSA-N    		 OC1C(O)C(OC1(O)CO)CO; C([C@@H]1[C@H]([C@
    @H]([C@](O1)(CO)O)O)O)O; OC[CH]1O[C](O)(
    CO)[CH](O)[CH]1O; C(C1C(C(C(O1)(CO)O)O)O
    )O; OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1
    O    		 beta-D-fructofuranose;
    beta-D-fructose;
    D-fructose;
    fructose
    25124
    FRV
    DB07791
    ZINC000038995986    		 1 C18 H20 N6 O2 S InChI=1S/C18H20N6O2S/c1-1
    2-21-11-17(24(12)14-5-6-1
    4)16-9-10-20-18(23-16)22-
    13-3-7-15(8-4-13)27(25,26
    )19-2/h3-4,7-11,14,19H,5-
    6H2,1-2H3,(H,20,22,23);
    MZWCVBFANHIPTJ-UHFFFAOYSA-N    		 O=S(=O)(NC)c1ccc(cc1)Nc2nccc(n2)c3cnc(n3
    C4CC4)C; CN[S](=O)(=O)c1ccc(Nc2nccc(n2)c
    3cnc(C)n3C4CC4)cc1; Cc1ncc(n1C2CC2)c3ccn
    c(n3)Nc4ccc(cc4)S(=O)(=O)NC    		 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE
    25125
    FRW
    ZINC000039290217    		 2 C24 H30 F3 N3 O6 InChI=1S/C24H30F3N3O6/c1-
    12(2)17(19(31)24(25,26)27
    )28-21(33)16-6-5-11-30(16
    )22(34)18(13(3)4)29-20(32
    )14-7-9-15(10-8-14)23(35)
    36/h7-10,12-13,16-18H,5-6
    ,11H2,1-4H3,(H,28,33)(H,2
    9,32)(H,35,36)/t16-,17-,1
    8-/m0/s1;
    FGNPKLCZJAUKFU-BZSNNMDCSA-N    		 CC(C)C(C(=O)C(F)(F)F)NC(=O)C1CCCN1C(=O)C
    (C(C)C)NC(=O)c2ccc(cc2)C(=O)O; CC(C)[C@@
    H](C(=O)C(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)
    [C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)O; CC(C
    )[C@H](NC(=O)c1ccc(cc1)C(O)=O)C(=O)N2CCC
    [C@H]2C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F;
    CC(C)[CH](NC(=O)c1ccc(cc1)C(O)=O)C(=O)N2
    CCC[CH]2C(=O)N[CH](C(C)C)C(=O)C(F)(F)F;
    O=C(NC(C(=O)C(F)(F)F)C(C)C)C2N(C(=O)C(NC
    (=O)c1ccc(C(=O)O)cc1)C(C)C)CCC2    		 4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid
    25126
    FRX
    DB07792
    ZINC000028818268    		 4 C20 H19 Cl N4 O4 S InChI=1S/C20H19ClN4O4S/c2
    1-16-9-12-8-13(24-19(12)3
    0-16)18(28)23-14-7-11-3-1
    -2-4-15(11)25(20(14)29)10
    -17(27)22-5-6-26/h1-4,8-9
    ,14,24,26H,5-7,10H2,(H,22
    ,27)(H,23,28)/t14-/m0/s1;
    VUKPNWLGSLOHIF-AWEZNQCLSA-N    		 Clc2sc1nc(cc1c2)C(=O)NC4C(=O)N(c3ccccc3C
    4)CC(=O)NCCO; OCCNC(=O)CN1C(=O)[C@H](Cc2
    ccccc12)NC(=O)c3[nH]c4sc(Cl)cc4c3; c1ccc
    2c(c1)CC(C(=O)N2CC(=O)NCCO)NC(=O)c3cc4cc
    (sc4[nH]3)Cl; c1ccc2c(c1)C[C@@H](C(=O)N2
    CC(=O)NCCO)NC(=O)c3cc4cc(sc4[nH]3)Cl; OC
    CNC(=O)CN1C(=O)[CH](Cc2ccccc12)NC(=O)c3[
    nH]c4sc(Cl)cc4c3    		 (S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE
    25127
    FRY
    DB07793
    ZINC000053683214    		 4 C18 H15 Cl N4 O3 S InChI=1S/C18H15ClN4O3S/c1
    9-14-7-10-6-11(22-17(10)2
    7-14)16(25)21-12-5-9-3-1-
    2-4-13(9)23(18(12)26)8-15
    (20)24/h1-4,6-7,12,14H,5,
    8H2,(H2,20,24)(H,21,25)/t
    12-,14+/m0/s1;
    ACSGSLPOHKRZCY-GXTWGEPZSA-N    		 NC(=O)CN1C(=O)[CH](Cc2ccccc12)NC(=O)C3=C
    C4=C[CH](Cl)SC4=N3; ClC2SC1=NC(=CC1=C2)C
    (=O)NC4C(=O)N(c3ccccc3C4)CC(=O)N; c1ccc2
    c(c1)C[C@@H](C(=O)N2CC(=O)N)NC(=O)C3=CC4
    =CC(SC4=N3)Cl; c1ccc2c(c1)CC(C(=O)N2CC(=
    O)N)NC(=O)C3=CC4=CC(SC4=N3)Cl; NC(=O)CN1
    C(=O)[C@H](Cc2ccccc12)NC(=O)C3=CC4=C[C@H
    ](Cl)SC4=N3    		 (2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE
    25128
    FRZ
    CHEMBL259551
    DB07794
    ZINC000028565323    		 3 C18 H13 N7 InChI=1S/C18H13N7/c19-17-
    12-10-13(20-22-18(12)23-2
    1-17)15-14-8-4-5-9-25(14)
    24-16(15)11-6-2-1-3-7-11/
    h1-10H,(H3,19,21,22,23);
    XVECMUKVOMUNLE-UHFFFAOYSA-N    		 c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(n[nH]c5n
    n4)N; Nc1n[nH]c2nnc(cc12)c3c4ccccn4nc3c5
    ccccc5; n1nc5c(cc1c3c4ccccn4nc3c2ccccc2)
    c(nn5)N    		 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE;
    FR180204
    25129
    FS0    		 1 Fe2 H S3 InChI=1S/2Fe.H2S.2S/h;;1H
    2;;/q;+1;;;/p-1;
    ANRWZFUZKQVIEA-UHFFFAOYSA-M    		 S[Fe]1S[Fe]S1; [Fe]1S[Fe](S1)S FE2/S3 CLUSTER
    25130
    FS1    		 0 Fe S InChI=1S/Fe.S;
    MBMLMWLHJBBADN-UHFFFAOYSA-N    		 [Fe]=S; S=[Fe] IRON/SULFUR CLUSTER
    25131
    FS2    		 17 Fe4 O3 S2 InChI=1S/4Fe.3O.2S;
    DEAINXNPDRNZAH-UHFFFAOYSA-N    		 O1[Fe]O2[Fe]134O[Fe]356[S]4[Fe]52S6; O1[
    Fe]O[Fe]1O[Fe]2S[Fe]S2    		 FE-S-O HYBRID CLUSTER
    25132
    FS3    		 0 Fe3 S4 InChI=1/3Fe.4S/rFe3S4/c4-
    1-2(4)3(1,5-1,6-2)7(1)2;
    FCXHZBQOKRZXKS-ATNAIZIRAP    		 S1[Fe]|2|3|4S[Fe]|56|2S[Fe]1|3|5S|46; S1
    [Fe]234[Fe]156[S]2[Fe]35(S4)S6    		 FE3-S4 CLUSTER
    25133
    FS4    		 0 Fe4 S4 InChI=1/4Fe.4S/rFe4S4/c5-
    1-2(5)3(1,5)4(1,2,6(1)2,7
    (1)3)8(2)3;
    LJBDFODJNLIPKO-OPQUVCQLAW    		 [S]12[Fe]3456[Fe]1789[Fe]2312[Fe]47([S]5
    8)([S]61)[S]92; [Fe]1|2|3|4|5|[Fe]|6|78|
    9|S1[Fe]|%10%11|2|6S|3[Fe]|4|7|%10(S|58)
    S|9%11    		 IRON/SULFUR CLUSTER
    25134
    FS5    		 2 Fe8 S13 InChI=1S/8Fe.H2S5.8S/c;;;
    ;;;;;1-3-5-4-2;;;;;;;;/h;
    ;;;;;;;1-2H;;;;;;;;/q;;;;
    ;;2*+1;;;;;;;;;/p-2;
    FDJYKHODDMRQJF-UHFFFAOYSA-L    		 S(SS[Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]
    25)SS[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S
    ]71; S(SS[Fe]12|S3[Fe]|4S5|[Fe]3S1|[Fe]5
    S2|4)SS[Fe]67|S8[Fe]|9S|%10[Fe](S6|9)|S7
    [Fe]8|%10    		 IRON/SULFUR PENTA-SULFIDE CONNECTED CLUSTERS;
    PENTASULFIDE-LINKED IRON CUBANES
    25135
    FS6
    CHEMBL5193227    		 1 C15 H21 N3 O S InChI=1S/C15H21N3OS/c1-5-
    11-14(10(3)19)9(2)17-15(1
    1)12-8-20-13(18-12)6-7-16
    -4/h8,16-17H,5-7H2,1-4H3;
    UTWAWNDFTMJUGN-UHFFFAOYSA-N    		 CCc1c([nH]c(C)c1C(C)=O)c2csc(CCNC)n2; CC
    c1c(c([nH]c1c2csc(n2)CCNC)C)C(=O)C    		 1-[4-ethyl-2-methyl-5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone
    25136
    FS7
    ZINC000003165453    		 1 C24 H25 N3 O5 S InChI=1S/C24H25N3O5S/c1-1
    4-7-12-21-19(13-14)22(18-
    5-3-4-6-20(18)27-21)24(29
    )32-15(2)23(28)26-16-8-10
    -17(11-9-16)33(25,30)31/h
    3-6,8-11,14-15H,7,12-13H2
    ,1-2H3,(H,26,28)(H2,25,30
    ,31)/t14-,15-/m0/s1;
    ZICDFSXBQFNQBM-GJZGRUSLSA-N    		 O=S(=O)(N)c1ccc(cc1)NC(=O)C(OC(=O)c2c4c(
    nc3c2CC(CC3)C)cccc4)C; C[C@H]1CCc2nc3ccc
    cc3c(C(=O)O[C@@H](C)C(=O)Nc4ccc(cc4)[S](
    N)(=O)=O)c2C1; C[C@H]1CCc2c(c(c3ccccc3n2
    )C(=O)O[C@@H](C)C(=O)Nc4ccc(cc4)S(=O)(=O
    )N)C1; C[CH]1CCc2nc3ccccc3c(C(=O)O[CH](C
    )C(=O)Nc4ccc(cc4)[S](N)(=O)=O)c2C1; CC1C
    Cc2c(c(c3ccccc3n2)C(=O)OC(C)C(=O)Nc4ccc(
    cc4)S(=O)(=O)N)C1    		 (2S)-1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
    25137
    FS8
    CHEMBL4575052
    ZINC000098208899    		 1 C31 H27 F N2 O5 InChI=1S/C31H27FN2O5/c32-
    28-13-10-23(15-29(28)34-3
    1(38)20-4-2-1-3-5-20)33-2
    2-9-12-26-21(14-22)7-6-19
    -8-11-25(16-27(19)30(26)3
    7)39-18-24(36)17-35/h1-5,
    8-16,24,33,35-36H,6-7,17-
    18H2,(H,34,38)/t24-/m1/s1;
    ZPBRNNLSMHDHFY-XMMPIXPASA-N    		 c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)C
    Cc5ccc(cc5C4=O)OCC(CO)O; c1ccc(cc1)C(=O)
    Nc2cc(ccc2F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)
    OC[C@@H](CO)O; OC[C@@H](O)COc1ccc2CCc3cc
    (Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c
    2c1; Fc2ccc(cc2NC(=O)c1ccccc1)Nc5cc4c(C(
    =O)c3c(ccc(OCC(O)CO)c3)CC4)cc5; OC[CH](O
    )COc1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc
    5)c4)ccc3C(=O)c2c1    		 N-{5-[(7-{[(2R)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide
    25138
    FS9
    ZINC000009059591    		 1 C18 H17 F3 N6 O InChI=1S/C18H17F3N6O/c19-
    18(20,21)12-2-1-3-13(8-12
    )26-17(28)11-4-6-27(7-5-1
    1)16-14-15(23-9-22-14)24-
    10-25-16/h1-3,8-11H,4-7H2
    ,(H,26,28)(H,22,23,24,25);
    RSRHDIYCQIWTON-UHFFFAOYSA-N    		 FC(F)(F)c1cccc(NC(=O)C2CCN(CC2)c3ncnc4[n
    H]cnc34)c1; FC(F)(F)c1cc(ccc1)NC(=O)C4CC
    N(c3ncnc2c3ncn2)CC4; c1cc(cc(c1)NC(=O)C2
    CCN(CC2)c3c4c([nH]cn4)ncn3)C(F)(F)F    		 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
    25139
    FSA
    ZINC000058649601    		 6 C8 H14 O7 S InChI=1S/C8H14O7S/c9-4-1-
    15-8(14,7(13)6(4)12)3-16-
    2-5(10)11/h4,6-7,9,12-14H
    ,1-3H2,(H,10,11)/t4-,6-,7
    +,8-/m1/s1;
    UORIXTGMSRMKDZ-CCXZUQQUSA-N    		 C1C(C(C(C(O1)(CSCC(=O)O)O)O)O)O; O[CH]1C
    O[C](O)(CSCC(O)=O)[CH](O)[CH]1O; C1[C@H]
    ([C@H]([C@@H]([C@](O1)(CSCC(=O)O)O)O)O)O
    ; O[C@@H]1CO[C@](O)(CSCC(O)=O)[C@@H](O)[
    C@@H]1O; O=C(O)CSCC1(O)OCC(O)C(O)C1O    		 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose;
    1-S-(carboxymethyl)-1-thio-beta-D-fructose;
    1-S-(carboxymethyl)-1-thio-D-fructose;
    1-S-(carboxymethyl)-1-thio-fructose
    25140
    FSB
    DB02069    		 2 C14 H13 F N2 O3 S InChI=1S/C14H13FN2O3S/c15
    -13-4-2-1-3-11(13)9-17-14
    (18)10-5-7-12(8-6-10)21(1
    6,19)20/h1-8H,9H2,(H,17,1
    8)(H2,16,19,20);
    ULYMHSXFSKOHGH-UHFFFAOYSA-N    		 c1ccc(c(c1)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F
    ; c1cc(ccc1C(=O)NCc2ccccc2F)S(N)(=O)=O;
    N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccccc2F    		 N-(2-FLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE
    25141
    FSC
    CHEMBL4244843
    DB01780    		 36 C36 H56 O12 InChI=1S/C36H56O12/c1-10-
    35(6,7)45-17-26-30(41)33(
    46-21(5)38)31(42)34(47-26
    )48-32-28-24(18(2)15-44-2
    0(4)37)13-27(39)36(28,8)1
    4-25-22(16-43-9)11-12-23(
    25)19(3)29(32)40/h10,14,1
    8-19,22-23,26-27,29-34,39
    -42H,1,11-13,15-17H2,2-9H
    3/b25-14-/t18-,19-,22-,23
    +,26-,27+,29-,30-,31-,32-
    ,33+,34-,36+/m1/s1;
    KXTYBXCEQOANSX-WYKQKOHHSA-N    		 COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3
    O[CH](COC(C)(C)C=C)[CH](O)[CH](OC(C)=O)[
    CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)[CH](C)C
    OC(C)=O; COC[C@H]/1CC[C@H]2[C@@H](C)[C@@
    H](O)[C@H](O[C@H]3O[C@H](COC(C)(C)C=C)[C
    @@H](O)[C@H](OC(C)=O)[C@H]3O)C4=C(C[C@H]
    (O)[C@]4(C)\C=C/12)[C@H](C)COC(C)=O; C[C
    @@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](
    CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H
    ]([C@@H]([C@H](O4)COC(C)(C)C=C)O)OC(=O)C
    )O)[C@H](C)COC(=O)C)O)C)COC; CC1C2CCC(C2
    =CC3(C(CC(=C3C(C1O)OC4C(C(C(C(O4)COC(C)(
    C)C=C)O)OC(=O)C)O)C(C)COC(=O)C)O)C)COC;
    O=C(OCC(C3=C2C(OC1OC(C(O)C(OC(=O)C)C1O)C
    OC(\C=C)(C)C)C(O)C(C)C4C(=CC2(C)C(O)C3)C
    (COC)CC4)C)C    		 FUSICOCCIN
    25142
    FSD    		 2 C29 H42 N6 O9 InChI=1S/C29H42N6O9/c1-15
    -19(44-26-24(38)23(37)22(
    34(4)5)16(2)43-26)10-11-2
    1(42-15)35-13-12-20(33-28
    (35)41)32-25(39)17-6-8-18
    (9-7-17)31-27(40)29(3,30)
    14-36/h6-9,12-13,15-16,19
    ,21-24,26,36-38H,10-11,14
    ,30H2,1-5H3,(H,31,40)(H,3
    2,33,39,41)/t15-,16-,19+,
    21-,22-,23+,24-,26-,29+/m
    1/s1;
    HDNVYHWHCVTDIV-ZENIWSRCSA-N    		 C[C@H]1O[C@H](CC[C@@H]1O[C@H]2O[C@H](C)[
    C@H]([C@H](O)[C@H]2O)N(C)C)N3C=CC(=NC3=O
    )NC(=O)c4ccc(NC(=O)[C@@](C)(N)CO)cc4; CC
    1C(CCC(O1)N2C=CC(=NC2=O)NC(=O)c3ccc(cc3)
    NC(=O)C(C)(CO)N)OC4C(C(C(C(O4)C)N(C)C)O)
    O; C[CH]1O[CH](CC[CH]1O[CH]2O[CH](C)[CH]
    ([CH](O)[CH]2O)N(C)C)N3C=CC(=NC3=O)NC(=O
    )c4ccc(NC(=O)[C](C)(N)CO)cc4; CC1OC(CCC1
    OC2C(C(C(C(C)O2)N(C)C)O)O)N4C=CC(NC(=O)c
    3ccc(cc3)NC(C(C)(CO)N)=O)=NC4=O; C[C@@H]
    1[C@H](CC[C@@H](O1)N2C=CC(=NC2=O)NC(=O)c
    3ccc(cc3)NC(=O)[C@](C)(CO)N)O[C@@H]4[C@@
    H]([C@H]([C@@H]([C@H](O4)C)N(C)C)O)O    		 amicetin;
    (4S)-N-{(4S)-1-[(2R,5S,6R)-5-{[4,6-dideoxy-4-(dimethylamino)-alpha-D-glucopyranosyl]oxy}-6-methyloxan-2-yl]-2-oxo-1,2,3,4-tetrahydropyrimidin-4-yl}-4-[(2-methyl-D-seryl)amino]cyclohexa-1,5-diene-1-carboxamide
    25143
    FSE
    CHEMBL31574
    DB07795
    ZINC000000039111    		 4 C15 H10 O6 InChI=1S/C15H10O6/c16-8-2
    -3-9-12(6-8)21-15(14(20)1
    3(9)19)7-1-4-10(17)11(18)
    5-7/h1-6,16-18,20H;
    XHEFDIBZLJXQHF-UHFFFAOYSA-N    		 Oc1ccc2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O;
    c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O
    ; O=C1c3c(OC(=C1O)c2ccc(O)c(O)c2)cc(O)cc
    3    		 3,7,3',4'-TETRAHYDROXYFLAVONE;
    Fisetin;
    2-(3,4-DIHYDROXYPHENYL)-3,7-DIHYDROXY-4H-CHROMEN-4-ONE
    25144
    FSF    		 0 Fe4 O S2 InChI=1/4Fe.O.2S/rFe4OS2/
    c1-2-7-3-4(7,5-1)6-3;
    ANJSROJJSKUDEH-RDKWERHRAJ    		 [Fe]|1|2S[Fe]3|1O[Fe][Fe]S|23; O1[Fe][Fe
    ][S]2[Fe]13[Fe]2S3; O1[Fe][Fe][S@]2[Fe@]
    13[Fe]2S3    		 4FE-2S-O HYBRID CLUSTER
    25145
    FSG
    ZINC000038139027    		 1 C2 H5 F N O5 P InChI=1S/C2H5FNO5P/c3-1(2
    (5)4-6)10(7,8)9/h1,6H,(H,
    4,5)(H2,7,8,9)/t1-/m0/s1;
    PDPXHRBRYUQCQA-SFOWXEAESA-N    		 [C@H](C(=O)NO)(F)P(=O)(O)O; ONC(=O)[CH](
    F)[P](O)(O)=O; O=C(NO)C(F)P(=O)(O)O; C(C
    (=O)NO)(F)P(=O)(O)O; ONC(=O)[C@@H](F)[P]
    (O)(O)=O    		 [(1S)-1-FLUORO-2-(HYDROXYAMINO)-2-OXOETHYL]PHOSPHONIC ACID
    25146
    FSH
    ZINC000098208900    		 1 C27 H35 N9 O16 P2 InChI=1S/C27H35N9O16P2/c1
    -10-3-12-13(4-11(10)2)35(
    25(43)27(33-12)24(42)32-2
    6(44)34-27)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,
    8-9,14-16,18-20,23,33,37-
    41H,5-7H2,1-2H3,(H,45,46)
    (H,47,48)(H2,28,29,30)(H2
    ,32,34,42,44)/t14-,15+,16
    +,18-,19+,20+,23+,27+/m0/
    s1;
    HUPQKJNMCVRMPP-QUWWARRSSA-N    		 Cc1cc2c(cc1C)N(C(=O)C3(N2)C(=O)NC(=O)N3)
    CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n
    5cnc6c5ncnc6N)O)O)O)O)O; Cc1cc2N[C]3(NC(
    =O)NC3=O)C(=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; Cc1cc2N
    [C@]3(NC(=O)NC3=O)C(=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)ncn
    c56)c2cc1C; Cc1cc2c(cc1C)N(C(=O)[C@@]3(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
    ; O=C1NC(=O)NC13Nc2cc(c(cc2N(C3=O)CC(O)C
    (O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c
    (ncnc45)N)C(O)C6O)C)C    		 (2R,3S,4S)-5-[(4R)-6',7'-dimethyl-2,3',5-trioxo-1'H-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'H)-yl]-2,3,4-trihydroxypentyl-adenosine diphosphate
    25147
    FSI
    DB04211    		 13 C11 H18 F N O9 InChI=1S/C11H18FNO9/c1-3(
    15)13-5-7(18)9(12)11(21,1
    0(19)20)22-8(5)6(17)4(16)
    2-14/h4-9,14,16-18,21H,2H
    2,1H3,(H,13,15)(H,19,20)/
    t4-,5-,6-,7-,8-,9-,11+/m1
    /s1;
    ALJLGESFXXDPKH-RISWTRDCSA-N    		 CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C
    @@H]([C@@H](CO)O)O)(C(=O)O)O)F)O; CC(=O)
    NC1C(C(C(OC1C(C(CO)O)O)(C(=O)O)O)F)O; CC
    (=O)N[CH]1[CH](O)[CH](F)[C](O)(O[CH]1[CH
    ](O)[CH](O)CO)C(O)=O; O=C(O)C1(O)OC(C(NC
    (=O)C)C(O)C1F)C(O)C(O)CO; CC(=O)N[C@@H]1
    [C@@H](O)[C@@H](F)[C@](O)(O[C@H]1[C@H](O
    )[C@H](O)CO)C(O)=O    		 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid;
    5-(acetylamino)-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid;
    3-FLUOROSIALIC ACID;
    5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulosonic acid;
    5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-L-manno-non-2-ulosonic acid;
    5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-manno-non-2-ulosonic acid
    25148
    FSJ    		 0 C19 H35 F N4 O7 InChI=1S/C19H35FN4O7/c1-1
    9(27)7-28-18(13(26)16(19)
    24-2)31-15-11(23)5-10(22)
    14(12(15)25)30-17-9(21)4-
    3-8(6-20)29-17/h3,9-18,24
    -27H,4-7,21-23H2,1-2H3/t9
    -,10+,11-,12+,13-,14-,15+
    ,16-,17-,18-,19+/m1/s1;
    WYTHUXIFAFNYLB-YFMIWBNJSA-N    		 C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H
    ]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3
    [C@@H](CC=C(O3)CF)N)N)N)O; CN[CH]1[CH](O
    )[CH](OC[C]1(C)O)O[CH]2[CH](N)C[CH](N)[C
    H](O[CH]3OC(=CC[CH]3N)CF)[CH]2O; CC1(COC
    (C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CF)
    N)N)N)O; C1(OC(=CCC1N)CF)OC2C(CC(C(C2O)O
    C3OCC(C(C3O)NC)(C)O)N)N; CN[C@@H]1[C@@H]
    (O)[C@H](OC[C@]1(C)O)O[C@H]2[C@H](N)C[C@
    H](N)[C@@H](O[C@H]3OC(=CC[C@H]3N)CF)[C@@
    H]2O    		 (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(fluoromethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside;
    6'-fluoro sisomicin
    25149
    FSK
    ZINC000098208901    		 2 C10 H13 F N2 O3 InChI=1S/C10H13FN2O3/c1-6
    -8(3-7(4-11)5-14)13(2)10(
    16)12-9(6)15/h3,14H,4-5H2
    ,1-2H3,(H,12,15,16)/b7-3+;
    NEZZLCCSEJKABY-XVNBXDOJSA-N    		 CC1=C(N(C(=O)NC1=O)C)C=C(CO)CF; CN1C(=O)
    NC(=O)C(=C1\C=C(CO)/CF)C; CN1C(=O)NC(=O)
    C(=C1C=C(CO)CF)C; CC1=C(N(C(=O)NC1=O)C)/
    C=C(/CO)\CF; O=C1C(=C(\C=C(/CF)CO)N(C(=O
    )N1)C)C    		 6-[(1Z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione
    25150
    FSL
    ZINC000000155877    		 1 C10 H10 O4 InChI=1S/C10H10O4/c11-9(1
    2)6-8(10(13)14)7-4-2-1-3-
    5-7/h1-5,8H,6H2,(H,11,12)
    (H,13,14)/t8-/m1/s1;
    LVFFZQQWIZURIO-MRVPVSSYSA-N    		 c1ccc(cc1)C(CC(=O)O)C(=O)O; OC(=O)C[CH](
    C(O)=O)c1ccccc1; OC(=O)C[C@@H](C(O)=O)c1
    ccccc1; O=C(O)C(c1ccccc1)CC(=O)O    		 (2R)-2-phenylbutanedioic acid
    25151
    FSM    		 0 C16 H28 N2 O11 InChI=1S/C16H28N2O11/c1-5
    (21)17-9-13(25)11(23)7(3-
    19)28-16(9)29-14-10(18-6(
    2)22)15(26)27-8(4-20)12(1
    4)24/h7-16,19-20,23-26H,3
    -4H2,1-2H3,(H,17,21)(H,18
    ,22)/t7-,8-,9-,10-,11+,12
    +,13-,14-,15-,16-/m1/s1;
    FJGXDMQHNYEUHI-LRFIHEIOSA-N    		 O=C(NC2C(OC1OC(C(O)C(O)C1NC(=O)C)CO)C(O)
    C(OC2O)CO)C; 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
    ]([C@@H]2O)CO)O)NC(=O)C)CO)O)O; CC(=O)N[
    CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[C
    H](O)[CH](CO)O[CH](O)[CH]2NC(C)=O; CC(=O
    )N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C
    @@H]1O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O
    )[C@@H]2NC(C)=O; CC(=O)NC1C(C(C(OC1OC2C(
    C(OC(C2O)CO)O)NC(=O)C)CO)O)O    		 FORSMANN ANTIGEN;
    2-(ACETYLAMINO)-3-O-[2-(ACETYLAMINO)-2-DEOXY-ALPHA-L-GALACTOPYRANOSYL]-2-DEOXY-BETA-L-GALACTOPYRANOSE
    25152
    FSN
    DB07796    		 1 C23 H24 F N4 O2 InChI=1S/C23H23FN4O2/c24-
    16-9-3-13(4-10-16)12-28-2
    2(29)18-17-2-1-11-27(17)2
    0(19(18)23(28)30)14-5-7-1
    5(8-6-14)21(25)26/h3-10,1
    7-20H,1-2,11-12H2,(H3,25,
    26)/p+1/t17-,18-,19-,20-/
    m0/s1;
    GJYCQHGTXMVIBG-MUGJNUQGSA-O    		 NC(=[NH2+])c1ccc(cc1)[CH]2[CH]3[CH]([CH]
    4CCCN24)C(=O)N(Cc5ccc(F)cc5)C3=O; c1cc(c
    cc1CN2C(=O)C3C4CCCN4C(C3C2=O)c5ccc(cc5)C
    (=[NH2+])N)F; NC(=[NH2+])c1ccc(cc1)[C@H]
    2[C@@H]3[C@H]([C@@H]4CCCN24)C(=O)N(Cc5cc
    c(F)cc5)C3=O; c1cc(ccc1CN2C(=O)[C@H]3[C@
    @H]4CCC[N@@]4[C@H]([C@H]3C2=O)c5ccc(cc5)
    C(=[NH2+])N)F; Fc1ccc(cc1)CN2C(=O)C5C(C2
    =O)C3N(CCC3)C5c4ccc(C(=[NH2+])\N)cc4    		 (3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE
    25153
    FSO    		 10 Fe4 O3 S3 InChI=1S/4Fe.3O.3S/q;;;;;
    ;;;-1;+1;
    JQPFOUXUGPAEOB-UHFFFAOYSA-N    		 O1[Fe]O[Fe]2(O[Fe]3[S+]2[Fe]1S3)[S-]; [S
    -][Fe@@]12O[Fe]O[Fe]3S[Fe](O1)[S@@+]23;
    O1[Fe]O[Fe]2(O[Fe]3[S@@+]2[Fe]1S3)[S-];
    [S-][Fe]12O[Fe]O[Fe]3S[Fe](O1)[S+]23    		 IRON/SULFUR/OXYGEN HYBRID CLUSTER
    25154
    FSP
    CHEMBL185097
    DB01858
    ZINC000003817099    		 3 C23 H29 F N4 O4 InChI=1S/C23H29FN4O4/c1-2
    -3-5-18(20(29)21(30)27-19
    -10-13-25-28-19)26-22(31)
    32-15-23(11-4-12-23)14-16
    -6-8-17(24)9-7-16/h6-10,1
    3,18H,2-5,11-12,14-15H2,1
    H3,(H,26,31)(H2,25,27,28,
    30)/t18-/m0/s1;
    QTPYRNAKLBXKNP-SFHVURJKSA-N    		 CCCC[CH](NC(=O)OCC1(CCC1)Cc2ccc(F)cc2)C(
    =O)C(=O)Nc3[nH]ncc3; CCCC[C@H](NC(=O)OCC
    1(CCC1)Cc2ccc(F)cc2)C(=O)C(=O)Nc3[nH]ncc
    3; CCCCC(C(=O)C(=O)Nc1ccn[nH]1)NC(=O)OCC
    2(CCC2)Cc3ccc(cc3)F; CCCC[C@@H](C(=O)C(=
    O)Nc1ccn[nH]1)NC(=O)OCC2(CCC2)Cc3ccc(cc3
    )F; O=C(C(=O)C(NC(=O)OCC2(Cc1ccc(F)cc1)C
    CC2)CCCC)Nc3ccnn3    		 [1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE
    25155
    FSQ    		 3 C8 H14 O5 InChI=1S/C8H14O5/c1-8(13)
    3-4(7(11)12)2-5(9)6(8)10/
    h4-6,9-10,13H,2-3H2,1H3,(
    H,11,12)/t4-,5+,6-,8+/m0/
    s1;
    OFMSIUGUPGSXKY-SKHQTKALSA-N    		 C[C@@]1(O)C[C@H](C[C@@H](O)[C@@H]1O)C(O)
    =O; C[C@]1(C[C@H](C[C@H]([C@@H]1O)O)C(=O
    )O)O; CC1(CC(CC(C1O)O)C(=O)O)O; C[C]1(O)
    C[CH](C[CH](O)[CH]1O)C(O)=O    		 (1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic Acid
    25156
    FSR    		 1 C11 H17 F2 N O8 InChI=1S/C11H17F2NO8/c1-3
    (16)14-5-7(19)9(12)11(13,
    10(20)21)22-8(5)6(18)4(17
    )2-15/h4-9,15,17-19H,2H2,
    1H3,(H,14,16)(H,20,21)/t4
    -,5+,6-,7+,8+,9-,11+/m0/s
    1;
    HMALKZAXODOYOP-JVUHFKPCSA-N    		 CC(=O)N[CH]1[CH](O)[CH](F)[C](F)(O[CH]1[
    CH](O)[CH](O)CO)C(O)=O; CC(=O)N[C@@H]1[C
    @@H](O)[C@H](F)[C@@](F)(O[C@H]1[C@@H](O)
    [C@@H](O)CO)C(O)=O; CC(=O)NC1C(C(C(OC1C(
    C(CO)O)O)(C(=O)O)F)F)O; FC1(OC(C(NC(=O)C
    )C(O)C1F)C(O)C(O)CO)C(=O)O; CC(=O)N[C@@H
    ]1[C@H]([C@@H]([C@](O[C@H]1[C@H]([C@H](C
    O)O)O)(C(=O)O)F)F)O    		 (2S,3S,4R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-4-oxidanyl-6-[(1S,2S)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid;
    2,3-difluorosialic acid
    25157
    FSS
    ZINC000058660553    		 1 C24 H26 Cl2 N6 O2 InChI=1S/C24H26Cl2N6O2/c1
    -4-31(5-2)15-34-18-11-9-1
    7(10-12-18)28-23-27-13-16
    -14-32(24(33)30(3)22(16)2
    9-23)21-19(25)7-6-8-20(21
    )26/h6-13H,4-5,14-15H2,1-
    3H3,(H,27,28,29);
    MROKTXFTKSWSMO-UHFFFAOYSA-N    		 CCN(CC)COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(
    C3)c4c(cccc4Cl)Cl)C; Clc4cccc(Cl)c4N2C(=
    O)N(c1nc(ncc1C2)Nc3ccc(OCN(CC)CC)cc3)C;
    CCN(CC)COc1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c
    4c(Cl)cccc4Cl)cc1    		 3-(2,6-dichlorophenyl)-7-({4-[(diethylamino)methoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
    25158
    FST
    ZINC000003875793    		 4 C11 H17 O4 P S2 InChI=1S/C11H17O4PS2/c1-4
    -13-16(17,14-5-2)15-10-6-
    8-11(9-7-10)18(3)12/h6-9H
    ,4-5H2,1-3H3/t18-/m1/s1;
    XDNBJTQLKCIJBV-GOSISDBHSA-N    		 CCO[P](=S)(OCC)Oc1ccc(cc1)[S](C)=O; O=S(
    c1ccc(OP(=S)(OCC)OCC)cc1)C; CCOP(=S)(OCC
    )Oc1ccc(cc1)[S@](=O)C; CCOP(=S)(OCC)Oc1c
    cc(cc1)S(=O)C; CCO[P](=S)(OCC)Oc1ccc(cc1
    )[S@@](C)=O    		 O,O-diethyl O-{4-[(R)-methylsulfinyl]phenyl} phosphorothioate;
    Fensulfothion
    25159
    FSU
    CHEMBL3605967    		 4 C13 H16 N2 O3 InChI=1S/C13H16N2O3/c1-18
    -7-3-6-15-8-9-4-2-5-10(12
    (14)16)11(9)13(15)17/h2,4
    -5H,3,6-8H2,1H3,(H2,14,16
    );
    VARCSQSOWLMGTH-UHFFFAOYSA-N    		 COCCCN1Cc2cccc(c2C1=O)C(=O)N; COCCCN1Cc2
    cccc(C(N)=O)c2C1=O    		 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
    25160
    FSV
    ZINC000098208903    		 2 C14 H11 F O3 InChI=1S/C14H11FO3/c15-13
    -7-9(3-4-14(13)18)1-2-10-
    5-11(16)8-12(17)6-10/h1-8
    ,16-18H/b2-1+;
    VDUXKKFOASWEKM-OWOJBTEDSA-N    		 Oc1cc(O)cc(C=Cc2ccc(O)c(F)c2)c1; Oc1cc(O
    )cc(/C=C/c2ccc(O)c(F)c2)c1; c1cc(c(cc1/C
    =C/c2cc(cc(c2)O)O)F)O; c1cc(c(cc1C=Cc2cc
    (cc(c2)O)O)F)O; Fc2cc(\C=C\c1cc(O)cc(O)c
    1)ccc2O    		 5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol;
    fluoro-resveratrol
    25161
    FSW    		 75 C8 H16 O4 Se InChI=1S/C8H16O4Se/c1-4-5
    (9)6(10)7(13-3)8(11-2)12-
    4/h4-10H,1-3H3/t4-,5+,6+,
    7-,8+/m0/s1;
    GFGVRXDXSFUDNW-FMGWEMOISA-N    		 CO[CH]1O[CH](C)[CH](O)[CH](O)[CH]1[Se]C;
    C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)
    [Se]C)O)O; CC1C(C(C(C(O1)OC)[Se]C)O)O; C
    O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@
    H]1[Se]C    		 methyl 6-deoxy-2-Se-methyl-2-seleno-alpha-L-galactopyranoside;
    (2S,3S,4R,5S,6R)-6-methoxy-2-methyl-5-methylselanyl-oxane-3,4-diol;
    methyl 6-deoxy-2-Se-methyl-2-seleno-alpha-L-galactoside;
    methyl 6-deoxy-2-Se-methyl-2-seleno-L-galactoside;
    methyl 6-deoxy-2-Se-methyl-2-seleno-galactoside
    25162
    FSX    		 9 Fe4 O3 S3 InChI=1S/4Fe.H2O.2O.3S/h;
    ;;;1H2;;;;;/q;;;+1;;;;;;/
    p-1;
    BIOGFUMNBIDAOG-UHFFFAOYSA-M    		 O.O1[Fe]O[Fe]2S[Fe]S[Fe]1S2; [O][Fe]1O[F
    e]23S[Fe]245[S]3[Fe]4(O1)S5    		 BIS-(MU-2-OXO),[(MU-3--SULFIDO)-BIS(MU-2--SULFIDO)-TRIS(CYS-S)-TRI-IRON] (AQUA)(GLU-O)IRON(II);
    FE4-S3-O3 CLUSTER
    25163
    FSY
    CHEMBL3137332
    DB12011
    ZINC000043101772    		 1 C19 H17 F3 N2 O4 S InChI=1S/C19H17F3N2O4S/c1
    -11-15(9-17(25)26)14-4-3-
    7-23-18(14)24(11)10-12-5-
    6-13(29(2,27)28)8-16(12)1
    9(20,21)22/h3-8H,9-10H2,1
    -2H3,(H,25,26);
    GFPPXZDRVCSVNR-UHFFFAOYSA-N    		 Cc1n(Cc2ccc(cc2C(F)(F)F)[S](C)(=O)=O)c3n
    cccc3c1CC(O)=O; Cc1c(c2cccnc2n1Cc3ccc(cc
    3C(F)(F)F)S(=O)(=O)C)CC(=O)O; OC(Cc1c3c(
    n(c1C)Cc2ccc(cc2C(F)(F)F)S(=O)(=O)C)nccc
    3)=O    		 fevipiprant;
    (2-methyl-1-{[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl}-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
    25164
    FSZ
    CHEMBL4476817    		 1 C13 H17 F3 N4 InChI=1S/C13H17F3N4/c14-1
    3(15,16)10-5-9(8-1-3-19-4
    -2-8)6-11(7-10)20-12(17)1
    8/h5-8,19H,1-4H2,(H4,17,1
    8,20);
    SVJLJEMEWHBCNB-UHFFFAOYSA-N    		 [H]/N=C(/N)\Nc1cc(cc(c1)C(F)(F)F)C2CCNCC
    2; c1c(cc(cc1C(F)(F)F)NC(=N)N)C2CCNCC2;
    NC(=N)Nc1cc(cc(c1)C(F)(F)F)C2CCNCC2    		 1-[3-piperidin-4-yl-5-(trifluoromethyl)phenyl]guanidine
    25165
    FT0
    CHEMBL240949
    ZINC000028871069    		 4 C13 H10 O3 InChI=1S/C13H10O3/c14-9-1
    0-6-7-13(12(15)8-10)16-11
    -4-2-1-3-5-11/h1-9,15H;
    MYXBTODVMFBVIC-UHFFFAOYSA-N    		 Oc1cc(C=O)ccc1Oc2ccccc2; c1ccc(cc1)Oc2cc
    c(cc2O)C=O    		 3-hydroxy-4-phenoxybenzaldehyde
    25166
    FT1
    CHEMBL240804
    ZINC000096900552    		 6 C13 H8 Cl2 O3 InChI=1S/C13H8Cl2O3/c14-9
    -2-4-12(10(15)6-9)18-13-3
    -1-8(7-16)5-11(13)17/h1-7
    ,17H;
    GKHZEXMYTPRFKV-UHFFFAOYSA-N    		 Oc1cc(C=O)ccc1Oc2ccc(Cl)cc2Cl; Clc2cc(Cl
    )ccc2Oc1ccc(C=O)cc1O; c1cc(c(cc1C=O)O)Oc
    2ccc(cc2Cl)Cl    		 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde
    25167
    FT2
    CHEMBL240805
    ZINC000028869356    		 4 C13 H9 Cl3 O2 InChI=1S/C13H9Cl3O2/c14-7
    -8-1-3-13(11(17)5-8)18-12
    -4-2-9(15)6-10(12)16/h1-6
    ,17H,7H2;
    XVCALTYAVXDHNO-UHFFFAOYSA-N    		 c1cc(c(cc1CCl)O)Oc2ccc(cc2Cl)Cl; Oc1cc(C
    Cl)ccc1Oc2ccc(Cl)cc2Cl    		 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol
    25168
    FT3
    CHEMBL240806
    ZINC000028869360    		 2 C13 H10 Cl2 O3 InChI=1S/C13H10Cl2O3/c14-
    9-2-4-12(10(15)6-9)18-13-
    3-1-8(7-16)5-11(13)17/h1-
    6,16-17H,7H2;
    GILJPGZIIDINED-UHFFFAOYSA-N    		 OCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1; c1cc(c(c
    c1CO)O)Oc2ccc(cc2Cl)Cl    		 2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol
    25169
    FT4
    CHEMBL179036
    ZINC000013608926    		 1 C21 H21 F N2 O4 S InChI=1S/C21H21FN2O4S/c1-
    23(29(27,28)16-9-6-14(22)
    7-10-16)15-8-11-20-18(12-
    15)17-4-2-3-5-19(17)24(20
    )13-21(25)26/h2-7,9-10,15
    H,8,11-13H2,1H3,(H,25,26)
    /t15-/m1/s1;
    CANCTKXGRVNXFP-OAHLLOKOSA-N    		 CN(C2CCc1n(c3c(c1C2)cccc3)CC(O)=O)S(c4cc
    c(F)cc4)(=O)=O; CN([CH]1CCc2n(CC(O)=O)c3
    ccccc3c2C1)[S](=O)(=O)c4ccc(F)cc4; CN(C1
    CCc2c(c3ccccc3n2CC(=O)O)C1)S(=O)(=O)c4cc
    c(cc4)F; CN([C@@H]1CCc2c(c3ccccc3n2CC(=O
    )O)C1)S(=O)(=O)c4ccc(cc4)F; CN([C@@H]1CC
    c2n(CC(O)=O)c3ccccc3c2C1)[S](=O)(=O)c4cc
    c(F)cc4    		 [(3R)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9H-carbazol-9-yl]acetic acid;
    CAY10471
    25170
    FT5    		 1 C7 H12 O5 InChI=1S/C7H12O5/c8-4-1-3
    (7(11)12)2-5(9)6(4)10/h3-
    6,8-10H,1-2H2,(H,11,12)/t
    3-,4+,5-,6-;
    SOWVWGZSLABJMC-HMWJNGDSSA-N    		 C1[C@H](C(C(CC1C(=O)O)O)O)O; O[C@H]1C[C@
    H](C[C@@H](O)[C@@H]1O)C(O)=O; C1C(CC(C(C
    1O)O)O)C(=O)O; O[CH]1C[CH](C[CH](O)[CH]1
    O)C(O)=O    		 (3~{R})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid
    25171
    FT6
    ZINC000000056393    		 4 C11 H11 F N2 O2 InChI=1S/C11H11FN2O2/c12-
    7-1-2-8-6(3-9(13)11(15)16
    )5-14-10(8)4-7/h1-2,4-5,9
    ,14H,3,13H2,(H,15,16)/t9-
    /m0/s1;
    YMEXGEAJNZRQEH-VIFPVBQESA-N    		 N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(O)=O; O=C
    (O)C(N)Cc2c1ccc(F)cc1nc2; c1cc2c(cc1F)[n
    H]cc2CC(C(=O)O)N; N[CH](Cc1c[nH]c2cc(F)c
    cc12)C(O)=O; c1cc2c(cc1F)[nH]cc2C[C@@H](
    C(=O)O)N    		 6-FLUORO-L-TRYPTOPHAN;
    (S)-2-AMINO-3-(6-FLUORO-1H-INDOL-3-YL)PROPANOIC ACID
    25172
    FT7
    ZINC000205997535    		 1 C27 H26 F2 N2 O InChI=1S/C27H26F2N2O/c1-4
    -25(19-8-6-5-7-9-19)30-27
    (32)20-11-13-26-23(14-20)
    17(2)18(3)31(26)16-21-10-
    12-22(28)15-24(21)29/h5-1
    5,25H,4,16H2,1-3H3,(H,30,
    32)/t25-/m1/s1;
    BLRMZPQNLCVHEV-RUZDIDTESA-N    		 CCC(c1ccccc1)NC(=O)c2ccc3c(c2)c(c(n3Cc4c
    cc(cc4F)F)C)C; CC[C@H](c1ccccc1)NC(=O)c2
    ccc3c(c2)c(c(n3Cc4ccc(cc4F)F)C)C; CC[C@@
    H](NC(=O)c1ccc2n(Cc3ccc(F)cc3F)c(C)c(C)c
    2c1)c4ccccc4; CC[CH](NC(=O)c1ccc2n(Cc3cc
    c(F)cc3F)c(C)c(C)c2c1)c4ccccc4; CCC(c1cc
    ccc1)NC(=O)c2ccc4c(c2)c(c(C)n4Cc3c(F)cc(
    cc3)F)C    		 1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide
    25173
    FT8
    CHEMBL289556
    DB00886
    ZINC000003809801    		 8 C19 H24 N2 O4 S2 InChI=1S/C19H24N2O4S2/c22
    -17(15(26)11-12-5-2-1-3-6
    -12)20-13-9-10-27-16-8-4-
    7-14(19(24)25)21(16)18(13
    )23/h1-3,5-6,13-16,26H,4,
    7-11H2,(H,20,22)(H,24,25)
    /t13-,14-,15-,16-/m0/s1;
    LVRLSYPNFFBYCZ-VGWMRTNUSA-N    		 OC(=O)[CH]1CCC[CH]2SCC[CH](NC(=O)[CH](S)
    Cc3ccccc3)C(=O)N12; c1ccc(cc1)CC(C(=O)NC
    2CCSC3CCCC(N3C2=O)C(=O)O)S; OC(=O)[C@@H]
    1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3cc
    ccc3)C(=O)N12; c1ccc(cc1)C[C@@H](C(=O)N[
    C@H]2CCS[C@H]3CCC[C@H](N3C2=O)C(=O)O)S    		 Omapatrilat
    25174
    FT9
    CHEMBL5406775    		 1 C26 H28 F6 O3 InChI=1S/C26H28F6O3/c1-3-
    19(11-12-20-15-22(33)16-2
    3(34)17(20)2)21-10-7-9-18
    (14-21)8-5-4-6-13-24(35,2
    5(27,28)29)26(30,31)32/h7
    ,9-12,14,22-23,33-35H,2-3
    ,5,8,13,15-16H2,1H3/b19-1
    1+,20-12-/t22-,23+/m1/s1;
    LEJUFRSKGGKGDS-JRJKOMHBSA-N    		 CCC(=CC=C1CC(CC(C1=C)O)O)c2cccc(c2)CCC#C
    CC(C(F)(F)F)(C(F)(F)F)O; CCC(=CC=C1C[CH]
    (O)C[CH](O)C1=C)c2cccc(CCC#CCC(O)(C(F)(F
    )F)C(F)(F)F)c2; CCC(=C\C=C1\C[C@@H](O)C[
    C@H](O)C1=C)/c2cccc(CCC#CCC(O)(C(F)(F)F)
    C(F)(F)F)c2; CC/C(=C\C=C/1\C[C@H](C[C@@H
    ](C1=C)O)O)/c2cccc(c2)CCC#CCC(C(F)(F)F)(
    C(F)(F)F)O    		 (1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)hept-3-ynyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol
    25175
    FTA
    DB04430
    ZINC000005939104    		 2 C16 H13 N7 InChI=1S/C16H13N7/c17-10-
    12(16-20-22-23-21-16)11-1
    8-13-6-8-15(9-7-13)19-14-
    4-2-1-3-5-14/h1-9,11,18-1
    9H,(H,20,21,22,23)/b12-11
    -;
    FLPLCJJGNZGOAW-QXMHVHEDSA-N    		 N#CC(=CNc1ccc(Nc2ccccc2)cc1)c3n[nH]nn3;
    N#C/C(=C/Nc1ccc(Nc2ccccc2)cc1)c3n[nH]nn3
    ; N#C\C(=C\Nc2ccc(Nc1ccccc1)cc2)c3nnnn3;
    c1ccc(cc1)Nc2ccc(cc2)N\C=C(\C#N)/c3n[nH
    ]nn3; c1ccc(cc1)Nc2ccc(cc2)NC=C(C#N)c3n[
    nH]nn3    		 3-(4-PHENYLAMINO-PHENYLAMINO)-2-(1H-TETRAZOL-5-YL)-ACRYLONITRILE
    25176
    FTB
    CHEMBL120708
    DB02008
    ZINC000015804848    		 1 C25 H26 F N5 O3 InChI=1S/C25H26FN5O3/c1-3
    -4-13-30-23-22(24(33)31(2
    5(30)34)15-18-7-5-6-8-20(
    18)26)28-21(29-23)14-17-9
    -11-19(12-10-17)27-16(2)3
    2/h5-12H,3-4,13-15H2,1-2H
    3,(H,27,32)(H,28,29);
    JHSHXKJSPVHPCJ-UHFFFAOYSA-N    		 CCCCN1C(=O)N(Cc2ccccc2F)C(=O)c3[nH]c(Cc4
    ccc(NC(C)=O)cc4)nc13; CCCCN1c2c([nH]c(n2
    )Cc3ccc(cc3)NC(=O)C)C(=O)N(C1=O)Cc4ccccc
    4F; Fc1ccccc1CN3C(=O)N(c2nc(nc2C3=O)Cc4c
    cc(NC(=O)C)cc4)CCCC    		 N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE;
    1-(2-FLUOROBENZYL)-3-BUTYL-8-(N-ACETYL-4-AMINOBENZYL)-XANTHINE
    25177
    FTC
    DB07797
    ZINC000003873315    		 2 C15 H16 Cl F N4 O S InChI=1S/C15H16ClFN4OS/c1
    -2-22-12-6-8-18-11(14(12)
    17)5-7-19-15(23)21-13-4-3
    -10(16)9-20-13/h3-4,6,8-9
    H,2,5,7H2,1H3,(H2,19,20,2
    1,23);
    VEBKSFPYWMOUBR-UHFFFAOYSA-N    		 CCOc1ccnc(CCNC(=S)Nc2ccc(Cl)cn2)c1F; S=C
    (Nc1ncc(Cl)cc1)NCCc2nccc(OCC)c2F; CCOc1c
    cnc(c1F)CCNC(=S)Nc2ccc(cn2)Cl    		 N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA
    25178
    FTD
    ZINC000103542020    		 1 C8 H14 F N3 O9 P2 S InChI=1S/C8H14FN3O9P2S/c9
    -4-1-12(8(13)11-7(4)10)5-
    3-24-6(20-5)2-19-23(17,18
    )21-22(14,15)16/h5-6H,1-3
    ,10H2,(H,11,13)(H,17,18)(
    H2,14,15,16)/t5-,6+/m0/s1;
    DSUZHKWUVJBGFZ-NTSWFWBYSA-N    		 NC1=C(F)CN([C@@H]2CS[C@H](CO[P](O)(=O)O[
    P](O)(O)=O)O2)C(=O)N1; NC1=C(F)CN([CH]2C
    S[CH](CO[P](O)(=O)O[P](O)(O)=O)O2)C(=O)N
    1; C1C(OC(S1)COP(=O)(O)OP(=O)(O)O)N2CC(=
    C(NC2=O)N)F; C1[C@H](O[C@H](S1)COP(=O)(O
    )OP(=O)(O)O)N2CC(=C(NC2=O)N)F; O=P(O)(O)
    OP(=O)(O)OCC2OC(N1C(=O)NC(=C(F)C1)N)CS2    		 [(2R,5S)-5-(4-amino-5-fluoro-2-oxo-3,6-dihydropyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate
    25179
    FTE
    CHEMBL309036
    ZINC000000164500    		 0 C7 H5 N S InChI=1S/C7H5NS/c9-6-8-7-
    4-2-1-3-5-7/h1-5H;
    QKFJKGMPGYROCL-UHFFFAOYSA-N    		 c1ccc(cc1)N=C=S; S=C=Nc1ccccc1; S=C=N\c1
    ccccc1    		 phenylisothiocyanate;
    isothiocyanatobenzene
    25180
    FTG    		 6 C31 H40 N8 O5 InChI=1S/C31H40N8O5/c32-2
    3(30(43)35-13-12-19-6-9-2
    2(40)10-7-19)11-8-21(16-3
    4-15-20-4-2-1-3-5-20)14-2
    4-26(41)27(42)31(44-24)39
    -18-38-25-28(33)36-17-37-
    29(25)39/h1-7,9-10,17-18,
    21,23-24,26-27,31,34,40-4
    2H,8,11-16,32H2,(H,35,43)
    (H2,33,36,37)/t21-,23-,24
    +,26+,27+,31+/m0/s1;
    BSSHHGWCSNARRG-FRWVVBMCSA-N    		 O=C(C(CCC(CC3OC(n1c2ncnc(c2nc1)N)C(C3O)O
    )CNCc4ccccc4)N)NCCc5ccc(cc5)O; c1ccc(cc1
    )CNC[C@@H](CC[C@@H](C(=O)NCCc2ccc(cc2)O)
    N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4
    ncnc5N)O)O; N[C@@H](CC[C@H](CNCc1ccccc1)
    C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N
    )ncnc34)C(=O)NCCc5ccc(O)cc5; c1ccc(cc1)C
    NCC(CCC(C(=O)NCCc2ccc(cc2)O)N)CC3C(C(C(O
    3)n4cnc5c4ncnc5N)O)O; N[CH](CC[CH](CNCc1
    ccccc1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c
    (N)ncnc34)C(=O)NCCc5ccc(O)cc5    		 (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide;
    (S)-SKI-72
    25181
    FTH
    CHEMBL29946
    ZINC000013489035    		 1 C31 H28 N6 O InChI=1S/C31H28N6O/c1-36-
    21-34-19-26(36)15-30(35-1
    8-23-11-9-22(16-32)10-12-
    23)31(38)37-14-13-25(17-3
    3)29(20-37)28-8-4-6-24-5-
    2-3-7-27(24)28/h2-12,19,2
    1,30,35H,13-15,18,20H2,1H
    3/t30-/m0/s1;
    ADDOXKIOPBTSEG-PMERELPUSA-N    		 N#CC5=C(c2c1ccccc1ccc2)CN(C(=O)C(NCc3ccc
    (C#N)cc3)Cc4cncn4C)CC5; Cn1cncc1C[CH](NC
    c2ccc(cc2)C#N)C(=O)N3CCC(=C(C3)c4cccc5cc
    ccc45)C#N; Cn1cncc1C[C@H](NCc2ccc(cc2)C#
    N)C(=O)N3CCC(=C(C3)c4cccc5ccccc45)C#N; C
    n1cncc1C[C@@H](C(=O)N2CCC(=C(C2)c3cccc4c
    3cccc4)C#N)NCc5ccc(cc5)C#N; Cn1cncc1CC(C
    (=O)N2CCC(=C(C2)c3cccc4c3cccc4)C#N)NCc5c
    cc(cc5)C#N    		 1-[2-(4-CYANO-BENZYLAMINO)-3-(3-METHYL-3H-IMIDAZOL-4-YL)-PROPIONYL]-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE
    25182
    FTI
    CHEMBL30059
    ZINC000013489043    		 1 C29 H23 N5 O InChI=1S/C29H23N5O/c30-15
    -21-8-10-22(11-9-21)18-34
    -20-32-17-25(34)14-29(35)
    33-13-12-24(16-31)28(19-3
    3)27-7-3-5-23-4-1-2-6-26(
    23)27/h1-11,17,20H,12-14,
    18-19H2;
    KXPIURLUHSBSHE-UHFFFAOYSA-N    		 c1ccc2c(c1)cccc2C3=C(CCN(C3)C(=O)Cc4cncn
    4Cc5ccc(cc5)C#N)C#N; O=C(Cc1cncn1Cc2ccc(
    cc2)C#N)N3CCC(=C(C3)c4cccc5ccccc45)C#N;
    N#CC5=C(c2c1ccccc1ccc2)CN(C(=O)Cc3cncn3C
    c4ccc(C#N)cc4)CC5    		 1-{2-[3-(4-CYANO-BENZYL)-3H-IMIDAZOL-4-YL]-ACETYL}-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE
    25183
    FTJ
    ZINC000001484896    		 12 C17 H13 Cl N2 O4 InChI=1S/C17H13ClN2O4/c1-
    10(17(21)22)23-12-3-5-13(
    6-4-12)24-16-9-19-15-8-11
    (18)2-7-14(15)20-16/h2-10
    H,1H3,(H,21,22)/t10-/m1/s
    1;
    ABOOPXYCKNFDNJ-SNVBAGLBSA-N    		 C[C@H](C(=O)O)Oc1ccc(cc1)Oc2cnc3cc(ccc3n
    2)Cl; C[CH](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)c
    c1)C(O)=O; CC(C(=O)O)Oc1ccc(cc1)Oc2cnc3c
    c(ccc3n2)Cl; OC(=O)C(Oc3ccc(Oc2nc1c(cc(c
    c1)Cl)nc2)cc3)C; C[C@@H](Oc1ccc(Oc2cnc3c
    c(Cl)ccc3n2)cc1)C(O)=O    		 (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid
    25184
    FTK
    ZINC000103542035    		 2 C12 H9 F3 O3 InChI=1S/C12H9F3O3/c13-12
    (14,15)11(18)7-9(16)6-10(
    17)8-4-2-1-3-5-8/h1-5H,6-
    7H2;
    GWSILFLOKNCPNX-UHFFFAOYSA-N    		 FC(F)(F)C(=O)CC(=O)CC(=O)c1ccccc1; c1ccc
    (cc1)C(=O)CC(=O)CC(=O)C(F)(F)F; O=C(c1cc
    ccc1)CC(=O)CC(=O)C(F)(F)F    		 6,6,6-trifluoro-1-phenylhexane-1,3,5-trione
    25185
    FTL
    CHEMBL27843
    ZINC000013489061    		 1 C30 H23 N5 InChI=1S/C30H23N5/c1-34-2
    1-33-18-27(34)20-35(19-23
    -7-4-6-22(14-23)16-31)26-
    13-12-25(17-32)30(15-26)2
    9-11-5-9-24-8-2-3-10-28(2
    4)29/h2-15,18,21H,19-20H2
    ,1H3;
    IQZCODLAPFPVNS-UHFFFAOYSA-N    		 Cn1cncc1CN(Cc2cccc(c2)C#N)c3ccc(c(c3)c4c
    ccc5c4cccc5)C#N; Cn1cncc1CN(Cc2cccc(c2)C
    #N)c3ccc(C#N)c(c3)c4cccc5ccccc45; N#Cc5c
    (c2c1ccccc1ccc2)cc(N(Cc3cccc(C#N)c3)Cc4c
    ncn4C)cc5    		 4-[(3-CYANO-BENZYL)-(3-METHYL-3H-IMIDAZOL-4-YLMETHYL)-AMINO]-2-NAPHTHALEN-1-YL-BENZONITRILE
    25186
    FTM
    CHEMBL160811
    ZINC000005177774    		 5 C2 H4 F N O InChI=1S/C2H4FNO/c3-1-2(4
    )5/h1H2,(H2,4,5);
    FVTWJXMFYOXOKK-UHFFFAOYSA-N    		 FCC(=O)N; C(C(=O)N)F; NC(=O)CF 2-fluoroacetamide
    25187
    FTN
    CHEMBL487185
    ZINC000000001479    		 21 C17 H16 F3 N O2 InChI=1S/C17H16F3NO2/c1-1
    1(2)23-13-7-5-6-12(10-13)
    21-16(22)14-8-3-4-9-15(14
    )17(18,19)20/h3-11H,1-2H3
    ,(H,21,22);
    PTCGDEVVHUXTMP-UHFFFAOYSA-N    		 CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1;
    CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F    		 N-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)benzamide;
    flutolanil;
    N-(3-Isopropoxy-phenyl)-2-trifluoromethylbenzamide
    25188
    FTO
    CHEMBL302004
    ZINC000026179223    		 3 C39 H52 N4 O6 InChI=1S/C39H52N4O6/c1-26
    (2)21-33(37(47)41-32(35(4
    0)45)24-29-19-13-8-14-20-
    29)42-36(46)30(22-27-15-9
    -6-10-16-27)25-34(44)31(2
    3-28-17-11-7-12-18-28)43-
    38(48)49-39(3,4)5/h6-20,2
    6,30-34,44H,21-25H2,1-5H3
    ,(H2,40,45)(H,41,47)(H,42
    ,46)(H,43,48)/t30-,31+,32
    +,33+,34-/m1/s1;
    MURCDOXDAHPNRQ-ZJKZPDEISA-N    		 CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)N)NC(=O)C
    (Cc2ccccc2)CC(C(Cc3ccccc3)NC(=O)OC(C)(C)
    C)O; CC(C)C[C@H](NC(=O)[C@@H](C[C@@H](O)
    [C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc2ccccc
    2)C(=O)N[C@@H](Cc3ccccc3)C(N)=O; CC(C)C[
    C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=
    O)[C@H](Cc2ccccc2)C[C@H]([C@H](Cc3ccccc3
    )NC(=O)OC(C)(C)C)O; CC(C)C[CH](NC(=O)[CH
    ](C[CH](O)[CH](Cc1ccccc1)NC(=O)OC(C)(C)C
    )Cc2ccccc2)C(=O)N[CH](Cc3ccccc3)C(N)=O    		 ~{tert}-butyl ~{N}-[(2~{S},3~{R},5~{R})-6-[[(2~{S})-1-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate;
    L-685,458
    25189
    FTP
    DB02254    		 2 C12 H13 F3 N4 O4 P S InChI=1S/C12H14F3N4O4PS/c
    1-7-9(2-3-23-24(20,21)22)
    25-6-19(7)5-8-4-17-11(12(
    13,14)15)18-10(8)16/h4,6H
    ,2-3,5H2,1H3,(H3-,16,17,1
    8,20,21,22)/p-1;
    ZIBIECXVPMYJCV-UHFFFAOYSA-M    		 Cc1c(CCO[P]([O-])([O-])=O)sc[n+]1Cc2cnc(
    nc2N)C(F)(F)F; FC(F)(F)c1nc(c(cn1)C[n+]2
    c(c(sc2)CCOP([O-])([O-])=O)C)N; Cc1c(sc[
    n+]1Cc2cnc(nc2N)C(F)(F)F)CCOP(=O)([O-])[
    O-]    		 3-(4-AMINO-2-TRIFLUOROMETHYL-PYRIMIDIN-5-YLMETHYL)-4-METHYL-5-(2-PHOSPHONATOOXY-ETHYL)-THIAZOL-3-IUM;
    TRIFLUORO-THIAMIN PHOSPHATE
    25190
    FTQ    		 0 C16 H28 Au N4 InChI=1S/2C8H14N2.Au/c2*1
    -3-4-5-10-7-6-9(2)8-10;/h
    2*6-7H,3-5H2,1-2H3;/q2*+1
    ;;
    DHOATHUNKSQARV-UHFFFAOYSA-N    		 CCCCn1cc[n+](c1[Au]c2n(cc[n+]2C)CCCC)C;
    CCCCn1cc[n+](C)c1[Au]c2n(CCCC)cc[n+]2C    		 bis(1-butyl-3-methyl-imidazol-3-ium-2-yl)gold
    25191
    FTR
    CHEMBL559973
    DB03314
    ZINC000000057156    		 0 C11 H11 F N2 O2 InChI=1S/C11H11FN2O2/c12-
    7-1-2-10-8(4-7)6(5-14-10)
    3-9(13)11(15)16/h1-2,4-5,
    9,14H,3,13H2,(H,15,16)/t9
    -/m0/s1;
    INPQIVHQSQUEAJ-VIFPVBQESA-N    		 O=C(O)C(N)Cc2c1cc(F)ccc1nc2; N[CH](Cc1c[
    nH]c2ccc(F)cc12)C(O)=O; c1cc2c(cc1F)c(c[
    nH]2)C[C@@H](C(=O)O)N; N[C@@H](Cc1c[nH]c
    2ccc(F)cc12)C(O)=O; c1cc2c(cc1F)c(c[nH]2
    )CC(C(=O)O)N    		 FLUOROTRYPTOPHANE
    25192
    FTS
    CHEMBL177101
    DB07798
    ZINC000013581899    		 2 C13 H16 F4 N2 O2 S InChI=1S/C13H16F4N2O2S/c1
    4-7-11-5-9-1-2-12(6-10(9)
    8-18-11)22(20,21)19-4-3-1
    3(15,16)17/h1-2,6,11,18-1
    9H,3-5,7-8H2/t11-/m1/s1;
    BBUDQLKRZPRPFD-LLVKDONJSA-N    		 FC[C@H]1Cc2ccc(cc2CN1)[S](=O)(=O)NCCC(F)
    (F)F; c1cc2c(cc1S(=O)(=O)NCCC(F)(F)F)CNC
    (C2)CF; c2c1CNC(CF)Cc1ccc2S(=O)(=O)NCCC(
    F)(F)F; c1cc2c(cc1S(=O)(=O)NCCC(F)(F)F)C
    N[C@H](C2)CF; FC[CH]1Cc2ccc(cc2CN1)[S](=
    O)(=O)NCCC(F)(F)F    		 (3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE;
    3(R)-FLUOROMETHYL 7-TRIFLUOROPROPYLSULFONAMIDE 1,2,3,4-TETRAHYDROISOQUINOLINE
    25193
    FTT
    CHEMBL1232858
    DB02767
    ZINC000002039069    		 0 C14 H28 O3 InChI=1S/C14H28O3/c1-2-3-
    4-5-6-7-8-9-10-11-13(15)1
    2-14(16)17/h13,15H,2-12H2
    ,1H3,(H,16,17)/t13-/m1/s1;
    ATRNZOYKSNPPBF-CYBMUJFWSA-N    		 CCCCCCCCCCC[C@@H](O)CC(O)=O; CCCCCCCCCCC
    [CH](O)CC(O)=O; CCCCCCCCCCCC(CC(=O)O)O;
    CCCCCCCCCCC[C@H](CC(=O)O)O; O=C(O)CC(O)C
    CCCCCCCCCC    		 3-HYDROXY-TETRADECANOIC ACID;
    3-HYDROXY-MYRISTIC ACID
    25194
    FTU
    CHEMBL4587788
    ZINC000034441457    		 1 C11 H13 F N4 O4 InChI=1S/C11H13FN4O4/c12-
    4-1-16(10-6(4)9(13)14-3-1
    5-10)11-8(19)7(18)5(2-17)
    20-11/h1,3,5,7-8,11,17-19
    H,2H2,(H2,13,14,15)/t5-,7
    -,8-,11-/m1/s1;
    KRRZKBNCONNKPI-IOSLPCCCSA-N    		 c1c(c2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)F; c1
    c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O
    3)CO)O)O)N)F; Nc1ncnc2n(cc(F)c12)[C@@H]3
    O[C@H](CO)[C@@H](O)[C@H]3O; Nc1ncnc2n(cc
    (F)c12)[CH]3O[CH](CO)[CH](O)[CH]3O    		 5-fluorotubercidin
    25195
    FTV
    CHEMBL2252703
    ZINC000000056614    		 5 C9 H8 Cl2 O3 InChI=1S/C9H8Cl2O3/c1-5(9
    (12)13)14-8-3-2-6(10)4-7(
    8)11/h2-5H,1H3,(H,12,13)/
    t5-/m1/s1;
    MZHCENGPTKEIGP-RXMQYKEDSA-N    		 CC(C(=O)O)Oc1ccc(cc1Cl)Cl; C[C@@H](Oc1cc
    c(Cl)cc1Cl)C(O)=O; C[C@H](C(=O)O)Oc1ccc(
    cc1Cl)Cl; Clc1c(ccc(c1)Cl)OC(C)C(O)=O; C
    [CH](Oc1ccc(Cl)cc1Cl)C(O)=O    		 (2R)-2-(2,4-dichlorophenoxy)propanoic acid
    25196
    FTW
    CHEMBL4548156    		 1 C36 H41 N5 O3 InChI=1S/C36H41N5O3/c1-36
    (2,24-42)38-18-20-41-32-1
    7-19-40(22-27-15-16-33(44
    -3)30-14-7-6-13-29(27)30)
    23-31(32)34(39-41)35(43)3
    7-21-26-11-8-10-25-9-4-5-
    12-28(25)26/h4-16,38,42H,
    17-24H2,1-3H3,(H,37,43);
    MZJWSMMILGDGIP-UHFFFAOYSA-N    		 COc1ccc(CN2CCc3n(CCNC(C)(C)CO)nc(C(=O)NC
    c4cccc5ccccc45)c3C2)c6ccccc16; CC(C)(CO)
    NCCn1c2c(c(n1)C(=O)NCc3cccc4c3cccc4)CN(C
    C2)Cc5ccc(c6c5cccc6)OC    		 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide
    25197
    FTX
    CHEMBL4848137    		 2 C21 H21 Cl N2 O3 InChI=1S/C21H21ClN2O3/c1-
    26-19-9-13-6-7-24(12-25)1
    8(16(13)10-20(19)27-2)8-1
    4-11-23-21-15(14)4-3-5-17
    (21)22/h3-5,9-12,18,23H,6
    -8H2,1-2H3/t18-/m0/s1;
    FTUNSSCAXJNFIZ-SFHVURJKSA-N    		 COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)Cc3c[nH]
    c4c3cccc4Cl; COc1cc2c(cc1OC)C(N(CC2)C=O)
    Cc3c[nH]c4c3cccc4Cl; COc1cc2CCN(C=O)[CH]
    (Cc3c[nH]c4c(Cl)cccc34)c2cc1OC; COc1cc2C
    CN(C=O)[C@@H](Cc3c[nH]c4c(Cl)cccc34)c2cc
    1OC    		 (1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
    25198
    FTY
    CHEMBL1232859
    ZINC000008378980    		 0 C10 H12 F2 N O5 P InChI=1S/C10H12F2NO5P/c11
    -10(12,19(16,17)18)7-3-1-
    6(2-4-7)5-8(13)9(14)15/h1
    -4,8H,5,13H2,(H,14,15)(H2
    ,16,17,18)/t8-/m0/s1;
    HRDUMKHDIFUQGB-QMMMGPOBSA-N    		 N[C@@H](Cc1ccc(cc1)C(F)(F)[P](O)(O)=O)C(
    O)=O; c1cc(ccc1CC(C(=O)O)N)C(F)(F)P(=O)(
    O)O; c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)P(
    =O)(O)O; N[CH](Cc1ccc(cc1)C(F)(F)[P](O)(
    O)=O)C(O)=O; FC(F)(c1ccc(cc1)CC(N)C(=O)O
    )P(=O)(O)O    		 DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE
    25199
    FTZ
    CHEMBL1354522    		 1 C13 H10 Cl F N4 O InChI=1S/C13H10ClFN4O/c14
    -9-3-1-4-10(15)8(9)7-16-1
    3-17-12(18-19-13)11-5-2-6
    -20-11/h1-6H,7H2,(H2,16,1
    7,18,19);
    AHOHWELPUXLPOF-UHFFFAOYSA-N    		 c1cc(c(c(c1)Cl)CNc2[nH]nc(n2)c3ccco3)F;
    Fc1cccc(Cl)c1CNc2[nH]nc(n2)c3occc3; Fc1c
    ccc(Cl)c1CNc2nc(nn2)c3occc3    		 N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine
    25200
    FU0
    ZINC000098208905    		 1 C7 H8 O4 InChI=1S/C7H8O4/c8-7(9)11
    -5-3-6-2-1-4-10-6/h1-2,4H
    ,3,5H2,(H,8,9);
    SFUJACCQACPZEZ-UHFFFAOYSA-N    		 OC(=O)OCCc1occc1; c1cc(oc1)CCOC(=O)O; O=
    C(OCCc1occc1)O    		 2-(furan-2-yl)ethyl hydrogen carbonate
    Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).