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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    32201
    PF9
    CHEMBL562318
    DB08387
    ZINC000035859742    		 5 C25 H20 N4 O InChI=1S/C25H20N4O/c1-29-
    16-23(18-12-14-26-15-13-1
    8)25(28-29)20-7-10-22(11-
    8-20)30-17-21-9-6-19-4-2-
    3-5-24(19)27-21/h2-16H,17
    H2,1H3;
    AZEXWHKOMMASPA-UHFFFAOYSA-N    		 Cn1cc(c2ccncc2)c(n1)c3ccc(OCc4ccc5ccccc5
    n4)cc3; n1c5c(ccc1COc4ccc(c3nn(cc3c2ccnc
    c2)C)cc4)cccc5; Cn1cc(c(n1)c2ccc(cc2)OCc
    3ccc4ccccc4n3)c5ccncc5    		 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline
    32202
    PFA
    CHEMBL125381
    DB03181
    ZINC000002047672    		 2 C20 H21 N3 O4 InChI=1S/C20H21N3O4/c1-11
    (2)16-9-15(5-6-17(16)24)2
    7-19-12(3)7-14(8-13(19)4)
    23-20(26)22-18(25)10-21-2
    3/h5-11,24H,1-4H3,(H,22,2
    5,26);
    RXQAVKWRCZYGMV-UHFFFAOYSA-N    		 O=C3C=NN(c2cc(c(Oc1cc(c(O)cc1)C(C)C)c(c2
    )C)C)C(=O)N3; Cc1cc(cc(c1Oc2ccc(c(c2)C(C
    )C)O)C)N3C(=O)NC(=O)C=N3; CC(C)c1cc(Oc2c
    (C)cc(cc2C)N3N=CC(=O)NC3=O)ccc1O    		 [4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3,5-DIMETHYL-PHENYL]-6-AZAURACIL;
    2-[4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3,5-DIMETHYL-PHENYL]-2H-[1,2,4]TRIAZINE-3,5-DIONE
    32203
    PFB
    DB01711
    ZINC000001627118    		 54 C7 H3 F5 O InChI=1S/C7H3F5O/c8-3-2(1
    -13)4(9)6(11)7(12)5(3)10/
    h13H,1H2;
    PGJYYCIOYBZTPU-UHFFFAOYSA-N    		 C(c1c(c(c(c(c1F)F)F)F)F)O; OCc1c(F)c(F)c
    (F)c(F)c1F; Fc1c(c(F)c(F)c(F)c1F)CO    		 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL
    32204
    PFC    		 1 C34 H48 Fe N9 O12 InChI=1S/C34H48N9O12.Fe/c
    1-21(44)41(53)15-7-12-25-
    31(49)35-20-30(48)38-28(1
    8-24-10-5-4-6-11-24)32(50
    )36-19-29(47)37-26(13-8-1
    6-42(54)22(2)45)33(51)40-
    27(34(52)39-25)14-9-17-43
    (55)23(3)46;/h4-6,10-11,2
    5-28H,7-9,12-20H2,1-3H3,(
    H,35,49)(H,36,50)(H,37,47
    )(H,38,48)(H,39,52)(H,40,
    51);/q-3;+3/t25-,26-,27-,
    28+;/m0./s1;
    CYHYTMBFIKKRSE-OVSNALSBSA-N    		 CC1=O[Fe]2345O=C(N(O2)CCCC6C(=O)NCC(=O)N
    C(C(=O)NCC(=O)NC(CCCN1O3)C(=O)NC(CCCN(O4
    )C(=O5)C)C(=O)N6)Cc7ccccc7)C; CC1=O[Fe]2
    345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@@H]
    (C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H
    ](CCCN(O4)C(=O5)C)C(=O)N6)Cc7ccccc7)C; C
    C(=O)[N@@]1CCC[C@@H]2NC(=O)CNC(=O)[C@@H]
    (Cc3ccccc3)NC(=O)CNC(=O)[C@@H]4CCC[N@@](
    O[Fe](O1)O[N@](CCC[C@H](NC2=O)C(=O)N4)C(
    =O)C)C(=O)C; CC(=O)[N]1CCC[CH]2NC(=O)CNC
    (=O)[CH](Cc3ccccc3)NC(=O)CNC(=O)[CH]4CCC
    [N](O[Fe](O1)O[N](CCC[CH](NC2=O)C(=O)N4)
    C(=O)C)C(=O)C    		 PHENYLFERRICROCIN-IRON
    32205
    PFD
    CHEMBL222002
    DB08388
    ZINC000016051705    		 2 C20 H19 F N2 O6 InChI=1S/C20H19FN2O6/c1-2
    -27-12-11-20(17(24)22-19(
    26)23-18(20)25)29-16-9-7-
    15(8-10-16)28-14-5-3-13(2
    1)4-6-14/h3-10H,2,11-12H2
    ,1H3,(H2,22,23,24,25,26);
    XRSYNYGEEYTXJV-UHFFFAOYSA-N    		 O=C3NC(=O)NC(=O)C3(Oc2ccc(Oc1ccc(F)cc1)c
    c2)CCOCC; CCOCCC1(C(=O)NC(=O)NC1=O)Oc2cc
    c(cc2)Oc3ccc(cc3)F; CCOCCC1(Oc2ccc(Oc3cc
    c(F)cc3)cc2)C(=O)NC(=O)NC1=O    		 5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE
    32206
    PFE
    CHEMBL123678
    DB02848
    ZINC000002047838    		 2 C22 H22 N4 O3 S InChI=1S/C22H22N4O3S/c1-3
    -28-19-9-16-17(10-20(19)2
    9-4-2)23-13-24-22(16)25-1
    5-7-5-6-14(8-15)18-12-30-
    21(11-27)26-18/h5-10,12-1
    3,27H,3-4,11H2,1-2H3,(H,2
    3,24,25);
    ZJESXGUODSBHSK-UHFFFAOYSA-N    		 CCOc1cc2c(cc1OCC)ncnc2Nc3cccc(c3)c4csc(n
    4)CO; CCOc1cc2ncnc(Nc3cccc(c3)c4csc(CO)n
    4)c2cc1OCC; OCc4nc(c3cc(Nc2ncnc1c2cc(OCC
    )c(OCC)c1)ccc3)cs4    		 {4-[3-(6,7-DIETHOXY-QUINAZOLIN-4-YLAMINO)-PHENYL]-THIAZOL-2-YL}-METHANOL
    32207
    PFF
    CHEMBL1235242
    ZINC000000113778    		 2 C9 H10 F N O2 InChI=1S/C9H10FNO2/c10-7-
    3-1-6(2-4-7)5-8(11)9(12)1
    3/h1-4,8H,5,11H2,(H,12,13
    )/t8-/m0/s1;
    XWHHYOYVRVGJJY-QMMMGPOBSA-N    		 Fc1ccc(cc1)CC(C(=O)O)N; c1cc(ccc1CC(C(=O
    )O)N)F; c1cc(ccc1C[C@@H](C(=O)O)N)F; N[C
    @@H](Cc1ccc(F)cc1)C(O)=O; N[CH](Cc1ccc(F
    )cc1)C(O)=O    		 4-FLUORO-L-PHENYLALANINE
    32208
    PFG    		 2 C39 H44 N8 O15 InChI=1S/C39H44N8O15/c1-2
    -17-47(19-20-3-8-24-23(18
    -20)34(54)46-39(40)45-24)
    22-6-4-21(5-7-22)33(53)44
    -28(38(61)62)11-15-31(50)
    42-26(36(57)58)9-13-29(48
    )41-25(35(55)56)10-14-30(
    49)43-27(37(59)60)12-16-3
    2(51)52/h1,3-8,18,25-28H,
    9-17,19H2,(H,41,48)(H,42,
    50)(H,43,49)(H,44,53)(H,5
    1,52)(H,55,56)(H,57,58)(H
    ,59,60)(H,61,62)(H3,40,45
    ,46,54)/t25-,26-,27?,28-/
    m0/s1;
    SASAWWASHFSVQE-QGMKSFRFSA-N    		 C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc
    3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(
    CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O; NC
    1=NC(=O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@
    @H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O
    )NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O
    )ccc2N1; NC1=NC(=O)c2cc(CN(CC#C)c3ccc(cc
    3)C(=O)N[CH](CCC(=O)N[CH](CCC(=O)N[CH](C
    CC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C
    (O)=O)ccc2N1; C#CC[N@](Cc1ccc2c(c1)C(=O)
    N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N
    [C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(
    =O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O; O=C(O)
    C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=
    O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(CC#C)Cc2c
    cc3NC(=NC(=O)c3c2)N)CCC(=O)O    		 10-PARPARGYL-5,8-DIDEAZAFOLATE-4-GLUTAMIC ACID
    32209
    PFH
    CHEMBL410834
    DB08389
    ZINC000014956477    		 1 C24 H23 N3 O3 InChI=1S/C24H23N3O3/c1-28
    -22-12-20-21(13-23(22)29-
    2)25-15-26-24(20)27-10-9-
    19(14-27)30-18-8-7-16-5-3
    -4-6-17(16)11-18/h3-8,11-
    13,15,19H,9-10,14H2,1-2H3
    /t19-/m1/s1;
    UPTQSRGSSJRBKJ-LJQANCHMSA-N    		 COc1cc2ncnc(N3CC[C@H](C3)Oc4ccc5ccccc5c4
    )c2cc1OC; COc1cc2ncnc(N3CC[CH](C3)Oc4ccc
    5ccccc5c4)c2cc1OC; COc1cc2c(cc1OC)ncnc2[
    N@]3CC[C@H](C3)Oc4ccc5ccccc5c4; n1cnc(c2
    cc(OC)c(OC)cc12)N5CCC(Oc4cc3ccccc3cc4)C5
    ; COc1cc2c(cc1OC)ncnc2N3CCC(C3)Oc4ccc5cc
    ccc5c4    		 6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE
    32210
    PFI
    DB08390
    ZINC000100036690    		 1 C21 H27 F O4 InChI=1S/C21H27FO4/c1-14(
    2)25-19-8-7-15(11-18(19)2
    2)9-10-21(16-5-3-4-6-16)1
    3-17(23)12-20(24)26-21/h7
    -8,11-12,14,16,23H,3-6,9-
    10,13H2,1-2H3/t21-/m0/s1;
    AKNIHFDXRAOPAI-NRFANRHFSA-N    		 CC(C)Oc1ccc(cc1F)CCC2(CC(=CC(=O)O2)O)C3C
    CCC3; CC(C)Oc1ccc(cc1F)CC[C@]2(CC(=CC(=O
    )O2)O)C3CCCC3; CC(C)Oc1ccc(CC[C@]2(CC(=C
    C(=O)O2)O)C3CCCC3)cc1F; Fc1c(OC(C)C)ccc(
    c1)CCC2(OC(=O)C=C(O)C2)C3CCCC3; CC(C)Oc1
    ccc(CC[C]2(CC(=CC(=O)O2)O)C3CCCC3)cc1F    		 (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE
    32211
    PFJ
    CHEMBL219445
    DB08391
    ZINC000014956507    		 1 C22 H21 N5 O3 InChI=1S/C22H21N5O3/c1-28
    -19-9-15-18(10-20(19)29-2
    )24-13-25-22(15)27-8-7-14
    (12-27)30-21-11-23-16-5-3
    -4-6-17(16)26-21/h3-6,9-1
    1,13-14H,7-8,12H2,1-2H3/t
    14-/m1/s1;
    UBIIFKJMNRPNMT-CQSZACIVSA-N    		 COc1cc2c(cc1OC)ncnc2N3CCC(C3)Oc4cnc5cccc
    c5n4; COc1cc2c(cc1OC)ncnc2N3CC[C@H](C3)O
    c4cnc5ccccc5n4; n1cnc(c2cc(OC)c(OC)cc12)
    N5CCC(Oc3nc4c(nc3)cccc4)C5; COc1cc2ncnc(
    N3CC[CH](C3)Oc4cnc5ccccc5n4)c2cc1OC; COc
    1cc2ncnc(N3CC[C@H](C3)Oc4cnc5ccccc5n4)c2
    cc1OC    		 6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE
    32212
    PFK
    CHEMBL1738857
    ZINC000066167060    		 1 C20 H17 N3 O2 InChI=1S/C20H17N3O2/c1-24
    -19-10-15-12-21-13-22-18(
    15)11-20(19)25-9-8-16-7-6
    -14-4-2-3-5-17(14)23-16/h
    2-7,10-13H,8-9H2,1H3;
    REIGRVDNVZOVDL-UHFFFAOYSA-N    		 n4c3c(cc(OC)c(OCCc1nc2c(cc1)cccc2)c3)cnc
    4; COc1cc2cncnc2cc1OCCc3ccc4ccccc4n3    		 6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline
    32213
    PFL
    CHEMBL526
    DB00818
    ZINC000000968303    		 41 C12 H18 O InChI=1S/C12H18O/c1-8(2)1
    0-6-5-7-11(9(3)4)12(10)13
    /h5-9,13H,1-4H3;
    OLBCVFGFOZPWHH-UHFFFAOYSA-N    		 Oc1c(cccc1C(C)C)C(C)C; CC(C)c1cccc(c1O)C
    (C)C; CC(C)c1cccc(C(C)C)c1O    		 2,6-BIS(1-METHYLETHYL)PHENOL;
    2,6-DIISOPROPYLPHENOL;
    PROPOFOL
    32214
    PFM
    ZINC000033821463    		 5 C14 H19 N2 O8 P InChI=1S/C14H19N2O8P/c1-8
    -13(18)11(9(6-16-8)7-24-2
    5(21,22)23)4-2-10(17)3-5-
    12(15)14(19)20/h2-4,6,12,
    17-18H,5,7,15H2,1H3,(H,19
    ,20)(H2,21,22,23)/b4-2+,1
    0-3-/t12-/m0/s1;
    FKVMVCAAQIJMAO-UGEYCXAUSA-N    		 O=C(O)C(N)C/C=C(\O)/C=C/c1c(cnc(c1O)C)CO
    P(=O)(O)O; Cc1c(c(c(cn1)COP(=O)(O)O)C=CC
    (=CCC(C(=O)O)N)O)O; Cc1ncc(CO[P](O)(O)=O
    )c(/C=C/C(O)=C/C[C@H](N)C(O)=O)c1O; Cc1n
    cc(CO[P](O)(O)=O)c(C=CC(O)=CC[CH](N)C(O)
    =O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)\C=C\C(
    =C\C[C@@H](C(=O)O)N)\O)O    		 1-AMINO-7-(2-METHYL-3-OXIDO-5-((PHOSPHONOXY)METHYL)-4-PYRIDOXAL-5-OXO-6-HEPTENATE;
    PYRIDOXYLIDENE-PROPEN-1-YL-3-ALANINE-5-PHOSPHATE
    32215
    PFN
    CHEMBL249244
    ZINC000000402909    		 7 C15 H14 O3 InChI=1S/C15H14O3/c1-11(1
    5(16)17)12-6-5-9-14(10-12
    )18-13-7-3-2-4-8-13/h2-11
    H,1H3,(H,16,17)/t11-/m1/s
    1;
    RDJGLLICXDHJDY-LLVKDONJSA-N    		 C[CH](C(O)=O)c1cccc(Oc2ccccc2)c1; C[C@H]
    (c1cccc(c1)Oc2ccccc2)C(=O)O; CC(c1cccc(c
    1)Oc2ccccc2)C(=O)O; C[C@@H](C(O)=O)c1ccc
    c(Oc2ccccc2)c1; O=C(O)C(c2cc(Oc1ccccc1)c
    cc2)C    		 FENOPROFEN;
    (2R)-2-(3-PHENOXYPHENYL)PROPANOIC ACID
    32216
    PFO
    CHEMBL4128865    		 1 C22 H22 F N7 O InChI=1S/C22H22FN7O/c23-1
    6-3-1-15(2-4-16)20-21(19-
    5-9-25-22(24)27-19)30(14-
    26-20)18-6-10-29(11-7-18)
    13-17-8-12-31-28-17/h1-5,
    8-9,12,14,18H,6-7,10-11,1
    3H2,(H2,24,25,27);
    XPWHRQHBPRSUAW-UHFFFAOYSA-N    		 c1cc(ccc1c2c(n(cn2)C3CCN(CC3)Cc4ccon4)c5
    ccnc(n5)N)F; Fc1ccc(cc1)c3ncn(c3c2nc(ncc
    2)N)C5CCN(Cc4nocc4)CC5; Nc1nccc(n1)c2n(c
    nc2c3ccc(F)cc3)C4CCN(CC4)Cc5ccon5    		 4-{4-(4-fluorophenyl)-1-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl}pyrimidin-2-amine
    32217
    PFP
    CHEMBL190201
    DB08392
    ZINC000002501415    		 1 C22 H21 N3 O4 InChI=1S/C22H21N3O4/c1-27
    -16-7-3-14(4-8-16)18-19-2
    1(23-11-12-26)24-13-25-22
    (19)29-20(18)15-5-9-17(28
    -2)10-6-15/h3-10,13,26H,1
    1-12H2,1-2H3,(H,23,24,25);
    ARBUGBBNEFAECO-UHFFFAOYSA-N    		 COc1ccc(cc1)c2c3c(ncnc3oc2c4ccc(cc4)OC)N
    CCO; COc1ccc(cc1)c2oc3ncnc(NCCO)c3c2c4cc
    c(OC)cc4; n1c(c2c(nc1)oc(c2c3ccc(OC)cc3)
    c4ccc(OC)cc4)NCCO    		 2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL
    32218
    PFQ
    CHEMBL189434
    DB08393
    ZINC000001803337    		 2 C20 H17 N3 O2 InChI=1S/C20H17N3O2/c24-1
    2-11-21-19-17-16(14-7-3-1
    -4-8-14)18(15-9-5-2-6-10-
    15)25-20(17)23-13-22-19/h
    1-10,13,24H,11-12H2,(H,21
    ,22,23);
    UQHINZSKNAAVOZ-UHFFFAOYSA-N    		 OCCNc1ncnc2oc(c3ccccc3)c(c4ccccc4)c12; n
    1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NCCO;
    c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO    		 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL
    32219
    PFR
    ZINC000066167124    		 1 C27 H28 N4 O2 InChI=1S/C27H28N4O2/c1-32
    -25-17-24-23(16-26(25)33-
    15-12-22-11-5-6-13-28-22)
    27(30-19-29-24)31-14-7-10
    -21(18-31)20-8-3-2-4-9-20
    /h2-6,8-9,11,13,16-17,19,
    21H,7,10,12,14-15,18H2,1H
    3/t21-/m1/s1;
    DWBBOQWADWMQGE-OAQYLSRUSA-N    		 COc1cc2c(cc1OCCc3ccccn3)c(ncn2)[N@]4CCC[
    C@H](C4)c5ccccc5; COc1cc2ncnc(N3CCC[CH](
    C3)c4ccccc4)c2cc1OCCc5ccccn5; n1cnc5c(c1
    N3CCCC(c2ccccc2)C3)cc(OCCc4ncccc4)c(OC)c
    5; COc1cc2c(cc1OCCc3ccccn3)c(ncn2)N4CCCC
    (C4)c5ccccc5; COc1cc2ncnc(N3CCC[C@H](C3)
    c4ccccc4)c2cc1OCCc5ccccn5    		 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline
    32220
    PFS
    CHEMBL1235246
    DB02261    		 3 C26 H54 N O7 P InChI=1S/C26H54NO7P/c1-6-
    7-8-9-10-11-12-13-14-15-1
    6-17-18-19-21-31-23-26(34
    -25(2)28)24-33-35(29,30)3
    2-22-20-27(3,4)5/h26H,6-2
    4H2,1-5H3/t26-/m1/s1;
    HVAUUPRFYPCOCA-AREMUKBSSA-N    		 CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]
    (C)(C)C)OC(=O)C; CCCCCCCCCCCCCCCCOC[CH](
    CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O; [
    O-]P(=O)(OCC(OC(=O)C)COCCCCCCCCCCCCCCCC)
    OCC[N+](C)(C)C; CCCCCCCCCCCCCCCCOC[C@H](
    CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O; C
    CCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[
    N+](C)(C)C)OC(=O)C    		 (2R)-2-(acetyloxy)-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate;
    PLATELET ACTIVATING FACTOR
    32221
    PFT
    CHEMBL514290    		 5 C15 H13 N O3 InChI=1S/C15H13NO3/c17-12
    -5-6-13(14(18)7-12)15(19)
    16-8-10-3-1-2-4-11(10)9-1
    6/h1-7,17-18H,8-9H2;
    FYANAIGOGAIFAF-UHFFFAOYSA-N    		 c1ccc2c(c1)CN(C2)C(=O)c3ccc(cc3O)O; O=C(
    c1ccc(O)cc1O)N3Cc2ccccc2C3; Oc1ccc(c(O)c
    1)C(=O)N2Cc3ccccc3C2    		 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol
    32222
    PFU
    CHEMBL1164953
    ZINC000049803241    		 5 C9 H14 N3 O9 P InChI=1S/C9H14N3O9P/c10-9
    (16)4-6(14)3(11-12-4)8-7(
    15)5(13)2(21-8)1-20-22(17
    ,18)19/h2,5,7-8,13-15H,1H
    2,(H2,10,16)(H,11,12)(H2,
    17,18,19)/t2-,5-,7-,8+/m1
    /s1;
    CUHDHRMGDRLFLH-FLLFQEBCSA-N    		 C(C1C(C(C(O1)c2c(c([nH]n2)C(=O)N)O)O)O)O
    P(=O)(O)O; C([C@@H]1[C@H]([C@H]([C@@H](O
    1)c2c(c([nH]n2)C(=O)N)O)O)O)OP(=O)(O)O;
    NC(=O)c1[nH]nc([C@@H]2O[C@H](CO[P](O)(O)
    =O)[C@@H](O)[C@H]2O)c1O; NC(=O)c1[nH]nc(
    [CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c
    1O; O=C(N)c1c(O)c(nn1)C2OC(COP(=O)(O)O)C
    (O)C2O    		 (1S)-1,4-anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-O-phosphono-D-ribitol;
    Pyrazofurin Monophosphate
    32223
    PFV
    ZINC000098209297    		 1 C20 H26 N8 O12 S2 InChI=1S/C20H26N8O12S2/c1
    -20(2,17(33)34)40-26-15(1
    2-8-41-18(21)25-12)16(32)
    24-11(7-29)10(27-42(37,38
    )39)5-23-19(35)22-4-9-3-1
    3(30)14(31)6-28(9)36/h3,6
    -8,10-11,27,31,36H,4-5H2,
    1-2H3,(H2,21,25)(H,24,32)
    (H,33,34)(H2,22,23,35)(H,
    37,38,39)/b26-15-/t10-,11
    -/m1/s1;
    DRGQACYRFXBYPT-SATPWBBZSA-N    		 CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)NC(C=O
    )C(CNC(=O)NCC2=CC(=O)C(=CN2O)O)NS(=O)(=O
    )O; CC(C)(O/N=C(C(=O)N[C@H](C=O)[C@@H](C
    NC(=O)NCC1=CC(=O)C(=CN1O)O)N[S](O)(=O)=O
    )/c2csc(N)n2)C(O)=O; CC(C)(C(=O)O)O/N=C(
    /c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H](CNC(
    =O)NCC2=CC(=O)C(=CN2O)O)NS(=O)(=O)O; CC(
    C)(ON=C(C(=O)N[CH](C=O)[CH](CNC(=O)NCC1=
    CC(=O)C(=CN1O)O)N[S](O)(=O)=O)c2csc(N)n2
    )C(O)=O; O=C1C=C(N(O)C=C1O)CNC(=O)NCC(NS
    (=O)(=O)O)C(C=O)NC(=O)C(=N\OC(C(=O)O)(C)
    C)/c2nc(sc2)N    		 (6R,7S,10Z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid
    32224
    PFW
    ZINC000043194380    		 1 C31 H30 N4 O2 InChI=1S/C31H30N4O2/c1-36
    -29-19-28-26(18-30(29)37-
    17-15-25-14-13-23-10-5-6-
    12-27(23)34-25)31(33-21-3
    2-28)35-16-7-11-24(20-35)
    22-8-3-2-4-9-22/h2-6,8-10
    ,12-14,18-19,21,24H,7,11,
    15-17,20H2,1H3/t24-/m1/s1;
    MUQUFIBWWXZLNL-XMMPIXPASA-N    		 n1cnc6c(c1N3CCCC(c2ccccc2)C3)cc(OCCc4nc5
    c(cc4)cccc5)c(OC)c6; COc1cc2ncnc(N3CCC[C
    @H](C3)c4ccccc4)c2cc1OCCc5ccc6ccccc6n5;
    COc1cc2c(cc1OCCc3ccc4ccccc4n3)c(ncn2)[N@
    ]5CCC[C@H](C5)c6ccccc6; COc1cc2ncnc(N3CC
    C[CH](C3)c4ccccc4)c2cc1OCCc5ccc6ccccc6n5
    ; COc1cc2c(cc1OCCc3ccc4ccccc4n3)c(ncn2)N
    5CCCC(C5)c6ccccc6    		 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline
    32225
    PFX
    CHEMBL370260
    ZINC000001618813    		 2 C6 H13 N O4 InChI=1S/C6H13NO4/c7-1-2-
    10-3-4-11-5-6(8)9/h1-5,7H
    2,(H,8,9);
    RUVRGYVESPRHSZ-UHFFFAOYSA-N    		 NCCOCCOCC(O)=O; C(COCCOCC(=O)O)N 2-[2-(2-azanylethoxy)ethoxy]ethanoic acid
    32226
    PFY    		 1 C32 H34 Cl2 N4 O4 S InChI=1S/C32H34Cl2N4O4S/c
    1-19-29(35-20(2)30(19)32(
    40)38-14-6-7-21(38)17-37-
    12-3-4-13-37)16-24-23-15-
    22(10-11-28(23)36-31(24)3
    9)43(41,42)18-25-26(33)8-
    5-9-27(25)34/h5,8-11,15-1
    6,21,35H,3-4,6-7,12-14,17
    -18H2,1-2H3,(H,36,39)/b24
    -16-/t21-/m0/s1;
    OYONTEXKYJZFHA-MVUTXWCHSA-N    		 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)[S](=O)(
    =O)Cc4c(Cl)cccc4Cl)c(C)c1C(=O)N5CCC[C@H]
    5CN6CCCC6; Clc1cccc(Cl)c1CS(=O)(=O)c2ccc
    3c(c2)/C(C(=O)N3)=C/c4c(c(c(n4)C)C(=O)N5
    CCCC5CN6CCCC6)C; Cc1c([nH]c(c1C(=O)N2CCC
    [C@H]2CN3CCCC3)C)\C=C/4\c5cc(ccc5NC4=O)S
    (=O)(=O)Cc6c(cccc6Cl)Cl; Cc1c([nH]c(c1C(
    =O)N2CCCC2CN3CCCC3)C)C=C4c5cc(ccc5NC4=O)
    S(=O)(=O)Cc6c(cccc6Cl)Cl; Cc1[nH]c(C=C2C
    (=O)Nc3ccc(cc23)[S](=O)(=O)Cc4c(Cl)cccc4
    Cl)c(C)c1C(=O)N5CCC[CH]5CN6CCCC6    		 (3Z)-5-[(2,6-DICHLOROBENZYL)SULFONYL]-3-[(3,5-DIMETHYL-4-{[(2S)-2-(PYRROLIDIN-1-YLMETHYL)PYRROLIDIN-1-YL]CARBONYL}-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE
    32227
    PFZ
    DB02617    		 2 C17 H22 Cl2 N2 O InChI=1S/C17H22Cl2N2O/c1-
    2-3-4-5-8-17(22,12-21-10-
    9-20-13-21)15-7-6-14(18)1
    1-16(15)19/h6-7,9-11,13,2
    2H,2-5,8,12H2,1H3/t17-/m0
    /s1;
    WJBNLGBHMWNHRZ-KRWDZBQOSA-N    		 CCCCCC[C](O)(Cn1ccnc1)c2ccc(Cl)cc2Cl; CC
    CCCCC(Cn1ccnc1)(c2ccc(cc2Cl)Cl)O; CCCCCC
    [C@](Cn1ccnc1)(c2ccc(cc2Cl)Cl)O; CCCCCC[
    C@](O)(Cn1ccnc1)c2ccc(Cl)cc2Cl; Clc1ccc(
    c(Cl)c1)C(O)(CCCCCC)Cn2ccnc2    		 1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-DICHLOROPHENYL)OCTANE
    32228
    PG0
    CHEMBL1235250
    ZINC000001577245    		 0 C5 H12 O3 InChI=1S/C5H12O3/c1-7-4-5
    -8-3-2-6/h6H,2-5H2,1H3;
    SBASXUCJHJRPEV-UHFFFAOYSA-N    		 COCCOCCO; OCCOCCOC 2-(2-METHOXYETHOXY)ETHANOL;
    PEG 6000
    32229
    PG1    		 0 C19 H23 N3 O7 S InChI=1S/C19H25N3O7S/c1-1
    9(2)14(17(26)27)22-15(30-
    19)13(18(28)29-9-11(20)16
    (24)25)21-12(23)8-10-6-4-
    3-5-7-10/h3-7,11,13-15,22
    H,8-9,20H2,1-2H3,(H,21,23
    )(H,24,25)(H,26,27)/p-2/t
    11-,13-,14-,15+/m0/s1;
    USNINKBPBVKHHZ-CYUUQNCZSA-L    		 CC1([C@@H](N[C@H](S1)[C@@H](C(=O)OC[C@@H
    ](C(=O)[O-])N)NC(=O)Cc2ccccc2)C(=O)[O-])
    C; CC1(C)S[CH](N[CH]1C([O-])=O)[CH](NC(=
    O)Cc2ccccc2)C(=O)OC[CH](N)C([O-])=O; CC1
    (C(NC(S1)C(C(=O)OCC(C(=O)[O-])N)NC(=O)Cc
    2ccccc2)C(=O)[O-])C; CC1(C)S[C@@H](N[C@H
    ]1C([O-])=O)[C@H](NC(=O)Cc2ccccc2)C(=O)O
    C[C@H](N)C([O-])=O; O=C(NC(C(=O)OCC(C([O
    -])=O)N)C1SC(C(N1)C([O-])=O)(C)C)Cc2cccc
    c2    		 PENICILLIN G ACYL-SERINE
    32230
    PG2
    CHEMBL1235252
    DB02056
    ZINC000085994848    		 2 C20 H32 O5 InChI=1S/C20H32O5/c1-2-3-
    6-9-15(21)12-13-17-16(18(
    22)14-19(17)23)10-7-4-5-8
    -11-20(24)25/h4,7,12-13,1
    5-18,21-22H,2-3,5-6,8-11,
    14H2,1H3,(H,24,25)/b7-4-,
    13-12+/t15-,16+,17+,18-/m
    0/s1;
    BHMBVRSPMRCCGG-OUTUXVNYSA-N    		 CCCCCC(C=CC1C(C(CC1=O)O)CC=CCCCC(=O)O)O;
    O=C1CC(O)C(C\C=C/CCCC(=O)O)C1/C=C/C(O)C
    CCCC; CCCCC[CH](O)C=C[CH]1[CH](CC=CCCCC(
    O)=O)[CH](O)CC1=O; CCCCC[C@@H](\C=C\[C@@
    H]1[C@H]([C@H](CC1=O)O)C\C=C/CCCC(=O)O)O
    ; CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C\C=C/
    CCCC(O)=O)[C@@H](O)CC1=O    		 PROSTAGLANDIN D2;
    (5E,13E)-9,15-DIHYDROXY-11-OXOPROSTA-5,13-DIEN-1-OIC ACID
    32231
    PG3
    DB03637    		 6 C4 H12 N3 O InChI=1S/C4H11N3O/c5-4(6)
    7-2-1-3-8/h8H,1-3H2,(H4,5
    ,6,7)/p+1;
    JDXXTKLHHZMVIO-UHFFFAOYSA-O    		 C(CNC(=[NH2+])N)CO; NC(=[NH2+])NCCCO; OC
    CCNC(=[NH2+])\N    		 GUANIDINE-3-PROPANOL
    32232
    PG4
    CHEMBL1235254
    ZINC000001591820    		 9 C8 H18 O5 InChI=1S/C8H18O5/c9-1-3-1
    1-5-7-13-8-6-12-4-2-10/h9
    -10H,1-8H2;
    UWHCKJMYHZGTIT-UHFFFAOYSA-N    		 OCCOCCOCCOCCO; C(COCCOCCOCCO)O TETRAETHYLENE GLYCOL
    32233
    PG5
    CHEMBL1235255
    DB02078
    ZINC000001693863    		 0 C8 H18 O4 InChI=1S/C8H18O4/c1-9-3-5
    -11-7-8-12-6-4-10-2/h3-8H
    2,1-2H3;
    YFNKIDBQEZZDLK-UHFFFAOYSA-N    		 O(C)CCOCCOCCOC; COCCOCCOCCOC 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE
    32234
    PG6
    DB02580
    ZINC000004530388    		 0 C12 H26 O6 InChI=1S/C12H26O6/c1-13-3
    -5-15-7-9-17-11-12-18-10-
    8-16-6-4-14-2/h3-12H2,1-2
    H3;
    DMDPGPKXQDIQQG-UHFFFAOYSA-N    		 O(CCOC)CCOCCOCCOCCOC; COCCOCCOCCOCCOCCOC 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE
    32235
    PG7    		 0 C10 H14 N5 O7 P InChI=1S/C10H14N5O7P/c11-
    10-13-8-7(9(17)14-10)12-3
    -15(8)6-1-4(16)5(22-6)2-2
    1-23(18,19)20/h3-6,16H,1-
    2H2,(H2,18,19,20)(H3,11,1
    3,14,17)/t4-,5+,6+/m0/s1;
    LTFMZDNNPPEQNG-KVQBGUIXSA-N    		 O=P(O)(O)OCC3OC(n2cnc1c2nc(nc1O)N)CC3O;
    c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(
    O)O)O)nc(nc2O)N; Nc1nc(O)c2ncn([CH]3C[CH
    ](O)[CH](CO[P](O)(O)=O)O3)c2n1; c1nc2c(n
    1C3CC(C(O3)COP(=O)(O)O)O)nc(nc2O)N; Nc1n
    c(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO[P](O)
    (O)=O)O3)c2n1    		 ((2R,3R,5R)-5-(2-AMINO-6-HYDROXY-9H-PURIN-9-YL)-3-HYDROXY-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE
    32236
    PG8    		 0 C22 H42 O10 P InChI=1S/C22H43O10P/c1-3-
    5-7-9-11-13-21(25)29-17-2
    0(32-22(26)14-12-10-8-6-4
    -2)18-31-33(27,28)30-16-1
    9(24)15-23/h19-20,23-24H,
    3-18H2,1-2H3,(H,27,28)/p-
    1/t19-,20-/m1/s1;
    BQEXNLVNNRZNEI-WOJBJXKFSA-M    		 CCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH]
    (O)CO)OC(=O)CCCCCCC; CCCCCCCC(=O)OC[C@H]
    (CO[P@](=O)([O-])OC[C@@H](CO)O)OC(=O)CCC
    CCCC; CCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O
    )OC[C@H](O)CO)OC(=O)CCCCCCC; CCCCCCCC(=O
    )OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCC
    ; O=C(OC(COP([O-])(=O)OCC(O)CO)COC(=O)CC
    CCCCC)CCCCCCC    		 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)
    32237
    PG9
    CHEMBL1403
    ZINC000000154476    		 3 C8 H9 N O2 InChI=1S/C8H9NO2/c9-7(8(1
    0)11)6-4-2-1-3-5-6/h1-5,7
    H,9H2,(H,10,11)/t7-/m1/s1;
    ZGUNAGUHMKGQNY-SSDOTTSWSA-N    		 O=C(O)C(N)c1ccccc1; c1ccc(cc1)C(C(=O)O)N
    ; c1ccc(cc1)[C@H](C(=O)O)N; N[CH](C(O)=O
    )c1ccccc1; N[C@@H](C(O)=O)c1ccccc1    		 D-PHENYLGLYCINE
    32238
    PGA
    CHEMBL47181
    DB02726
    ZINC000003869735    		 164 C2 H5 O6 P InChI=1S/C2H5O6P/c3-2(4)1
    -8-9(5,6)7/h1H2,(H,3,4)(H
    2,5,6,7);
    ASCFNMCAHFUBCO-UHFFFAOYSA-N    		 OC(=O)CO[P](O)(O)=O; C(C(=O)O)OP(=O)(O)O
    ; O=P(O)(O)OCC(=O)O    		 2-PHOSPHOGLYCOLIC ACID
    32239
    PGC    		 0 C2 H6 N O6 P InChI=1/C2H6NO6P/c4-2(3-5
    )1-9-10(6,7)8/h5H,1H2,(H,
    3,4)(H2,6,7,8)/f/h3,6-7H;
    BAXHHWZKQZIJID-UXQYJXSCCI    		 O=P(O)(O)OCC(=O)NO; C(C(=O)NO)OP(=O)(O)O
    ; ONC(=O)CO[P](O)(O)=O    		 O-PHOSPHOGLYCOLOHYDROXAMATE
    32240
    PGD
    ZINC000195756841    		 28 C20 H24 N10 O13 P2 S2 InChI=1S/C20H24N10O13P2S2
    /c21-19-26-13-7(15(33)28-
    19)24-6-12(47)11(46)5(41-
    17(6)25-13)2-40-45(37,38)
    43-44(35,36)39-1-4-9(31)1
    0(32)18(42-4)30-3-23-8-14
    (30)27-20(22)29-16(8)34/h
    3-6,9-10,17-18,31-32,46-4
    7H,1-2H2,(H,35,36)(H,37,3
    8)(H3,22,27,29,34)(H3,21,
    25,26,28,33)/t4-,5-,6+,9-
    ,10-,17-,18-/m1/s1;
    SOFMTHSWCZNJTQ-ILXWUORBSA-N    		 c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O
    CC4C(=C(C5C(O4)NC6=NC(=NC(=O)C6=N5)N)S)S
    )O)O)N=C(NC2=O)N; O=C6N=C(N=C1C6=NC2C(S)
    =C(S)C(OC2N1)COP(=O)(O)OP(=O)(O)OCC5OC(n
    4cnc3c4N=C(N)NC3=O)C(O)C5O)N; NC1=Nc2n(c
    nc2C(=O)N1)[C@@H]3O[C@H](CO[P@](O)(=O)O[
    P@@](O)(=O)OC[C@H]4O[C@H]5NC6=NC(=NC(=O)
    C6=N[C@H]5C(=C4S)S)N)[C@@H](O)[C@H]3O; c
    1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[
    P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@
    H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O
    )O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH
    ]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[
    CH]5NC6=NC(=NC(=O)C6=N[CH]5C(=C4S)S)N)[C
    H](O)[CH]3O    		 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
    32241
    PGE
    CHEMBL1235259
    DB02327
    ZINC000001690436    		 3 C6 H14 O4 InChI=1S/C6H14O4/c7-1-3-9
    -5-6-10-4-2-8/h7-8H,1-6H2;
    ZIBGPFATKBEMQZ-UHFFFAOYSA-N    		 C(COCCOCCO)O; OCCOCCOCCO TRIETHYLENE GLYCOL
    32242
    PGF    		 0 C9 H20 O4 InChI=1S/C9H20O4/c1-3-11-
    6-7-13-9-8-12-5-4-10-2/h3
    -9H2,1-2H3;
    JRRDISHSXWGFRF-UHFFFAOYSA-N    		 CCOCCOCCOCCOC; O(C)CCOCCOCCOCC 2,5,8,11-TETRAOXATRIDECANE
    32243
    PGG
    DB08394
    ZINC000002043201    		 2 C12 H15 N2 O8 P InChI=1S/C12H15N2O8P/c15-
    11(13-8-12(16)17)2-1-7-23
    (20,21)22-10-5-3-9(4-6-10
    )14(18)19/h3-6H,1-2,7-8H2
    ,(H,13,15)(H,16,17)(H,20,
    21);
    WLNKGRQBMNPVSJ-UHFFFAOYSA-N    		 O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)CCCC(=O)N
    CC(=O)O; c1cc(ccc1[N+](=O)[O-])O[P@@](=O
    )(CCCC(=O)NCC(=O)O)O; OC(=O)CNC(=O)CCC[P
    ](O)(=O)Oc1ccc(cc1)[N+]([O-])=O; c1cc(cc
    c1[N+](=O)[O-])OP(=O)(CCCC(=O)NCC(=O)O)O
    ; OC(=O)CNC(=O)CCC[P@](O)(=O)Oc1ccc(cc1)
    [N+]([O-])=O    		 PARA-NITROPHENYLPHOSPHONOBUTANOYL-GLYCINE;
    N-PYRIDOXYL-3-[2-AMINO-ETHOXY-METHYLENE]ALANINE-5-MONOPHOSPHATE
    32244
    PGH
    CHEMBL371668
    DB03026    		 74 C2 H6 N O6 P InChI=1S/C2H6NO6P/c4-2(3-
    5)1-9-10(6,7)8/h5H,1H2,(H
    ,3,4)(H2,6,7,8);
    BAXHHWZKQZIJID-UHFFFAOYSA-N    		 O=P(O)(O)OCC(=O)NO; C(C(=O)NO)OP(=O)(O)O
    ; ONC(=O)CO[P](O)(O)=O    		 PHOSPHOGLYCOLOHYDROXAMIC ACID
    32245
    PGI
    ZINC000103553232    		 4 C16 H21 N2 O4 InChI=1S/C16H20N2O4/c19-9
    -12-13(20)14(21)15(22)16-
    17-11(8-18(12)16)7-6-10-4
    -2-1-3-5-10/h1-5,8,12-15,
    19-22H,6-7,9H2/p+1/t12-,1
    3-,14+,15-/m1/s1;
    MLRMIFDEZCZOAE-APIJFGDWSA-O    		 c1ccc(cc1)CCc2c[n+]3c([nH]2)C(C(C(C3CO)O
    )O)O; OC[CH]1[CH](O)[CH](O)[CH](O)c2[nH]
    c(CCc3ccccc3)c[n+]12; c1ccc(cc1)CCc2c[n+
    ]3c([nH]2)[C@@H]([C@H]([C@@H]([C@H]3CO)O
    )O)O; OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O
    )c2[nH]c(CCc3ccccc3)c[n+]12; OCC2[n+]1cc
    (nc1C(O)C(O)C2O)CCc3ccccc3    		 (5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL
    32246
    PGJ
    CHEMBL371491
    DB08395
    ZINC000016051715    		 1 C22 H18 F N3 O5 InChI=1S/C22H18FN3O5/c1-2
    -29-13-26-20(19(21(28)31-
    26)14-7-9-15(23)10-8-14)1
    6-11-12-24-22(25-16)30-18
    -6-4-3-5-17(18)27/h3-12,2
    7H,2,13H2,1H3;
    ZSOXFJURLPCSOO-UHFFFAOYSA-N    		 CCOCN1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccnc(n3
    )Oc4ccccc4O; Fc4ccc(C=1C(=O)ON(C=1c3nc(O
    c2ccccc2O)ncc3)COCC)cc4; CCOC[N@]1C(=C(C
    (=O)O1)c2ccc(cc2)F)c3ccnc(n3)Oc4ccccc4O;
    CCOCN1OC(=O)C(=C1c2ccnc(Oc3ccccc3O)n2)c
    4ccc(F)cc4    		 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE
    32247
    PGK
    ZINC000150345090    		 2 C40 H77 Br2 O10 P InChI=1S/C40H77Br2O10P/c1
    -3-5-7-9-11-12-13-14-15-1
    6-17-21-25-29-39(45)49-33
    -36(34-51-53(47,48)50-32-
    35(44)31-43)52-40(46)30-2
    6-22-18-20-24-28-38(42)37
    (41)27-23-19-10-8-6-4-2/h
    35-38,43-44H,3-34H2,1-2H3
    ,(H,47,48)/t35-,36-,37+,3
    8+/m1/s1;
    SZYLEOPJERUXOZ-RNATXAOGSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(
    O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@@H]([C@H
    ](CCCCCCCC)Br)Br; CCCCCCCCCCCCCCCC(=O)OC
    [CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCC
    CC[CH](Br)[CH](Br)CCCCCCCC; BrC(CCCCCCCC
    )C(Br)CCCCCCCC(=O)OC(COP(=O)(OCC(O)CO)O)
    COC(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC
    (=O)OC[C@H](CO[P@](O)(=O)OC[C@H](O)CO)OC
    (=O)CCCCCCC[C@H](Br)[C@@H](Br)CCCCCCCC;
    CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO
    )O)OC(=O)CCCCCCCC(C(CCCCCCCC)Br)Br    		 (1R)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (9S,10S)-9,10-DIBROMOOCTADECANOATE;
    DIBROMINATED PHOSPHATIDYLGLYCEROL;
    1-PALMITOYL-2-STEAROYL(9,10-DIBROMO)-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)] (SODIUM SALT)
    32248
    PGL
    CHEMBL41873
    ZINC000008418339    		 0 C H6 N O3 P InChI=1S/CH6NO3P/c2-1-6(3
    ,4)5/h1-2H2,(H2,3,4,5);
    MGRVRXRGTBOSHW-UHFFFAOYSA-N    		 NC[P](O)(O)=O; C(N)P(=O)(O)O; O=P(O)(O)C
    N    		 (aminomethyl)phosphonic acid
    32249
    PGM
    DB03438    		 3 C22 H44 O9 P InChI=1S/C22H45O9P/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    14-15-22(26)29-17-21(25)1
    9-31-32(27,28)30-18-20(24
    )16-23/h20-21,23-25H,2-19
    H2,1H3,(H,27,28)/p-1/t20-
    ,21-/m0/s1;
    BVJSKAUUFXBDOB-SFTDATJTSA-M    		 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC
    (CO)O)O; CCCCCCCCCCCCCCCC(=O)OC[C@H](O)C
    O[P]([O-])(=O)OC[C@@H](O)CO; CCCCCCCCCCC
    CCCCC(=O)OC[C@@H](COP(=O)([O-])OC[C@H](C
    O)O)O; O=C(OCC(O)COP([O-])(=O)OCC(O)CO)C
    CCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC[C
    H](O)CO[P]([O-])(=O)OC[CH](O)CO    		 1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)];
    LYSOPHOSPHATIDYLGLYCEROL
    32250
    PGN
    CHEMBL1235266    		 0 C10 H15 N5 O10 P2 InChI=1S/C10H15N5O10P2/c1
    1-10-13-8-7(9(16)14-10)12
    -3-15(8)6-1-4(25-27(20,21
    )22)5(24-6)2-23-26(17,18)
    19/h3-6H,1-2H2,(H2,17,18,
    19)(H2,20,21,22)(H3,11,13
    ,14,16)/t4-,5+,6+/m0/s1;
    HLOADLNVPDIIIB-KVQBGUIXSA-N    		 c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)
    O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH]
    3C[CH](O[P](O)(O)=O)[CH](CO[P](O)(O)=O)O
    3; O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)
    O)C3)COP(=O)(O)O; c1nc2c(n1[C@H]3C[C@@H]
    ([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)N=C(NC2
    =O)N; NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](
    O[P](O)(O)=O)[C@@H](CO[P](O)(O)=O)O3    		 2'-DEOXYGUANOSINE-3',5'-DIPHOSPHATE
    32251
    PGO
    DB04349
    ZINC000000895316    		 0 C3 H8 O2 InChI=1S/C3H8O2/c1-3(5)2-
    4/h3-5H,2H2,1H3/t3-/m0/s1;
    DNIAPMSPPWPWGF-VKHMYHEASA-N    		 CC(CO)O; C[C@H](O)CO; C[CH](O)CO; C[C@@H
    ](CO)O; OCC(O)C    		 S-1,2-PROPANEDIOL
    32252
    PGP
    ZINC000013507796    		 2 C10 H15 N5 O11 P2 InChI=1S/C10H15N5O11P2/c1
    1-10-13-7-4(8(17)14-10)12
    -2-15(7)9-5(16)6(26-28(21
    ,22)23)3(25-9)1-24-27(18,
    19)20/h2-3,5-6,9,16H,1H2,
    (H2,18,19,20)(H2,21,22,23
    )(H3,11,13,14,17)/t3-,5-,
    6-,9-/m1/s1;
    XYVNHPYNSPGYLI-UUOKFMHZSA-N    		 c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O
    )O)O)N=C(NC2=O)N; c1nc2c(n1[C@H]3[C@@H](
    [C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O
    )N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH]3
    O[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[C
    H]3O; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H]
    (CO[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H]
    3O; O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O
    )O)C3O)COP(=O)(O)O    		 GUANOSINE-3',5'-DIPHOSPHATE
    32253
    PGQ    		 0 C3 H8 O2 InChI=1/C3H8O2/c1-3(5)2-4
    /h3-5H,2H2,1H3/t3-/m0/s1;
    DNIAPMSPPWPWGF-VKHMYHEABO    		 CC(CO)O; C[C@H](O)CO; C[CH](O)CO; C[C@@H
    ](CO)O; OCC(O)C    		 S-1,2-PROPANEDIOL
    32254
    PGR
    DB02159
    ZINC000000895318    		 0 C3 H8 O2 InChI=1S/C3H8O2/c1-3(5)2-
    4/h3-5H,2H2,1H3/t3-/m1/s1;
    DNIAPMSPPWPWGF-GSVOUGTGSA-N    		 CC(CO)O; C[C@@H](O)CO; C[CH](O)CO; C[C@H
    ](CO)O; OCC(O)C    		 R-1,2-PROPANEDIOL
    32255
    PGS
    DB03146    		 2 C10 H15 N4 O10 P2 S InChI=1S/C10H14N4O10P2S/c
    15-6-4(1-23-25(17,18)19)2
    4-10(7(6)16)14-3-13-5-8(1
    4)11-2-12-9(5)27-26(20,21
    )22/h2-4,6-7,10,15-16H,1H
    2,(H2,17,18,19)(H2,20,21,
    22)/p+1/t4-,6-,7-,10-/m1/
    s1;
    NYBPOGVUIOPXHI-KQYNXXCUSA-O    		 c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H
    ]([C@H](O3)COP(=O)(O)O)O)O)SP(=O)(O)O; O
    [CH]1[CH](CO[P](O)(O)=O)O[CH]([CH]1O)n2c
    nc3c(S[P](O)(O)=O)[nH+]cnc23; c1[nH+]c(c
    2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)S
    P(=O)(O)O; O[C@@H]1[C@@H](CO[P](O)(O)=O)
    O[C@H]([C@@H]1O)n2cnc3c(S[P](O)(O)=O)[nH
    +]cnc23; O=P(O)(O)Sc1c2ncn(c2nc[nH+]1)C3
    OC(C(O)C3O)COP(=O)(O)O    		 2-DEAZO-6-THIOPHOSPHATE GUANOSINE-5'-MONOPHOSPHATE
    32256
    PGT
    ZINC000058638415    		 45 C40 H79 O10 P InChI=1S/C40H79O10P/c1-3-
    5-7-9-11-13-15-17-18-20-2
    2-24-26-28-30-32-40(44)50
    -38(36-49-51(45,46)48-34-
    37(42)33-41)35-47-39(43)3
    1-29-27-25-23-21-19-16-14
    -12-10-8-6-4-2/h37-38,41-
    42H,3-36H2,1-2H3,(H,45,46
    )/t37-,38+/m1/s1;
    KBPVYRBBONZJHF-AMAPPZPBSA-N    		 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC
    CCCCCCC)COP(=O)(O)OCC(CO)O; CCCCCCCCCCCC
    CCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC
    )CO[P@](O)(=O)OC[C@H](O)CO; CCCCCCCCCCCC
    CCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC
    )CO[P@@](=O)(O)OC[C@@H](CO)O; CCCCCCCCCC
    CCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC
    )CO[P](O)(=O)OC[CH](O)CO; O=C(OCC(OC(=O)
    CCCCCCCCCCCCCCCCC)COP(=O)(OCC(O)CO)O)CCC
    CCCCCCCCCCCC    		 (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE;
    PHOSPHATIDYLGLYCEROL;
    1-PALMITOYL-2-OLEOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)](SODIUM SALT)
    32257
    PGU
    ZINC000012501127    		 34 C13 H19 N2 O9 P InChI=1S/C13H19N2O9P/c1-7
    -12(18)9(8(4-14-7)6-24-25
    (21,22)23)5-15-10(13(19)2
    0)2-3-11(16)17/h4,10,15,1
    8H,2-3,5-6H2,1H3,(H,16,17
    )(H,19,20)(H2,21,22,23)/t
    10-/m0/s1;
    JMRKOGDJNHPMHS-JTQLQIEISA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCC(=O)O)C(
    =O)O)O; Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CC
    C(O)=O)C(O)=O)c1O; Cc1ncc(CO[P](O)(O)=O)
    c(CN[C@@H](CCC(O)=O)C(O)=O)c1O; Cc1c(c(c
    (cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)
    O)O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O
    )CCC(=O)O    		 N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamic acid
    32258
    PGV
    ZINC000032838297    		 25 C40 H77 O10 P InChI=1S/C40H77O10P/c1-3-
    5-7-9-11-13-15-17-18-20-2
    2-24-26-28-30-32-40(44)50
    -38(36-49-51(45,46)48-34-
    37(42)33-41)35-47-39(43)3
    1-29-27-25-23-21-19-16-14
    -12-10-8-6-4-2/h13,15,37-
    38,41-42H,3-12,14,16-36H2
    ,1-2H3,(H,45,46)/b15-13-/
    t37-,38+/m0/s1;
    ADYWCMPUNIVOEA-GPJPVTGXSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O
    C[CH](O)CO)OC(=O)CCCCCCCCCC=CCCCCCC; CCC
    CCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)
    OC(=O)CCCCCCCCCC=CCCCCCC; O=C(OC(COP(=O)
    (OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCC
    CCCC\C=C/CCCCCC; CCCCCCCCCCCCCCCC(=O)OC[
    C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCC
    CCCCCC\C=C/CCCCCC; CCCCCCCCCCCCCCCC(=O)O
    C[C@H](CO[P@@](O)(=O)OC[C@@H](O)CO)OC(=O
    )CCCCCCCCC\C=C/CCCCCC    		 (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE;
    PHOSPHATIDYLGLYCEROL;
    2-VACCENOYL-1-PALMITOYL-SN-GLYCEROL-3-PHOSPHOGLYCEROL
    32259
    PGW
    ZINC000008552309    		 681 C40 H77 O10 P InChI=1S/C40H77O10P/c1-3-
    5-7-9-11-13-15-17-18-20-2
    2-24-26-28-30-32-40(44)50
    -38(36-49-51(45,46)48-34-
    37(42)33-41)35-47-39(43)3
    1-29-27-25-23-21-19-16-14
    -12-10-8-6-4-2/h17-18,37-
    38,41-42H,3-16,19-36H2,1-
    2H3,(H,45,46)/b18-17-/t37
    -,38+/m0/s1;
    PAZGBAOHGQRCBP-HGWHEPCSSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O
    C[CH](O)CO)OC(=O)CCCCCCCC=CCCCCCCCC; CCC
    CCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)O
    C[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC; CC
    CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O
    )OC(=O)CCCCCCCC=CCCCCCCCC; CCCCCCCCCCCCC
    CCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@@H](O)C
    O)OC(=O)CCCCCCC\C=C/CCCCCCCC; O=C(OC(COP
    (=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)C
    CCCCCC\C=C/CCCCCCCC    		 (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate;
    1-Palmitoyl-2-Oleoyl-sn-Glycero-3-[Phospho-(1-glycerol)];
    PHOSPHATIDYLGLYCEROL
    32260
    PGX
    DB03866
    ZINC000008220097    		 4 C20 H32 O6 InChI=1S/C20H32O6/c1-2-3-
    6-9-15(24-23)12-13-17-16(
    18-14-19(17)26-25-18)10-7
    -4-5-8-11-20(21)22/h4,7,1
    2-13,15-19,23H,2-3,5-6,8-
    11,14H2,1H3,(H,21,22)/b7-
    4-,13-12+/t15-,16+,17+,18
    -,19+/m0/s1;
    SGUKUZOVHSFKPH-YNNPMVKQSA-N    		 CCCCC[CH](OO)C=C[CH]1[CH]2C[CH](OO2)[CH]
    1CC=CCCCC(O)=O; CCCCC[C@H](OO)/C=C/[C@H]
    1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O
    ; O=C(O)CCC/C=C\CC2C1OOC(C1)C2/C=C/C(OO)
    CCCCC; CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)
    OO2)OO; CCCCC[C@@H](\C=C\[C@H]1[C@H]2C[C
    @@H]([C@@H]1C\C=C/CCCC(=O)O)OO2)OO    		 7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-YL]-HEPT-5-ENOIC ACID;
    PROSTAGLANDIN G2
    32261
    PGY    		 0 C8 H9 N O2 InChI=1/C8H9NO2/c9-7(8(10
    )11)6-4-2-1-3-5-6/h1-5,7H
    ,9H2,(H,10,11)/t7-/m1/s1/
    f/h10H;
    ZGUNAGUHMKGQNY-WHOHDODWDK    		 O=C(O)C(N)c1ccccc1; c1ccc(cc1)C(C(=O)O)N
    ; c1ccc(cc1)[C@H](C(=O)O)N; N[CH](C(O)=O
    )c1ccccc1; N[C@@H](C(O)=O)c1ccccc1    		 PHENYLGLYCINE
    32262
    PGZ
    CHEMBL1162112
    ZINC000014976476    		 2 C22 H28 N O8 P S InChI=1S/C22H28NO8PS/c1-1
    4-8-10-16(11-9-14)21(26)2
    3-18-19(25)17(12-24)30-22
    (33-2)20(18)31-32(27,28)2
    9-13-15-6-4-3-5-7-15/h3-1
    1,17-20,22,24-25H,12-13H2
    ,1-2H3,(H,23,26)(H,27,28)
    /t17-,18+,19+,20-,22+/m1/
    s1;
    IDAWZVIHHBVHNS-QWPXSNKBSA-N    		 Cc1ccc(cc1)C(=O)N[C@H]2[C@H]([C@H](O[C@H
    ]([C@@H]2OP(=O)(O)OCc3ccccc3)SC)CO)O; CS
    [C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2c
    cc(C)cc2)[C@H]1O[P](O)(=O)OCc3ccccc3; Cc
    1ccc(cc1)C(=O)NC2C(C(OC(C2OP(=O)(O)OCc3c
    cccc3)SC)CO)O; CS[CH]1O[CH](CO)[CH](O)[C
    H](NC(=O)c2ccc(C)cc2)[CH]1O[P](O)(=O)OCc
    3ccccc3; O=P(OC2C(NC(=O)c1ccc(cc1)C)C(O)
    C(OC2SC)CO)(OCc3ccccc3)O    		 METHYL 2-O-[(S)-(BENZYLOXY)(HYDROXY)PHOSPHORYL]-3-DEOXY-3-{[(4-METHYLPHENYL)CARBONYL]AMINO}-1-THIO-BETA-D-GALACTOPYRANOSIDE
    32263
    PH0
    ZINC000013807080    		 1 C27 H31 N2 O5 P InChI=1S/C27H31N2O5P/c28-
    25(18-22-14-8-3-9-15-22)3
    5(33,34)19-23(16-20-10-4-
    1-5-11-20)26(30)29-24(27(
    31)32)17-21-12-6-2-7-13-2
    1/h1-15,23-25H,16-19,28H2
    ,(H,29,30)(H,31,32)(H,33,
    34)/t23-,24+,25-/m1/s1;
    XNPYGVCNHOXQRJ-DSNGMDLFSA-N    		 N[CH](Cc1ccccc1)[P](O)(=O)C[CH](Cc2ccccc
    2)C(=O)N[CH](Cc3ccccc3)C(O)=O; c1ccc(cc1
    )C[C@H](C[P@](=O)([C@H](Cc2ccccc2)N)O)C(
    =O)N[C@@H](Cc3ccccc3)C(=O)O; N[C@@H](Cc1
    ccccc1)[P@@](O)(=O)C[C@@H](Cc2ccccc2)C(=
    O)N[C@@H](Cc3ccccc3)C(O)=O; O=C(O)C(NC(=
    O)C(Cc1ccccc1)CP(=O)(O)C(N)Cc2ccccc2)Cc3
    ccccc3; c1ccc(cc1)CC(CP(=O)(C(Cc2ccccc2)
    N)O)C(=O)NC(Cc3ccccc3)C(=O)O    		 N-{(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine
    32264
    PH1
    ZINC000024791085    		 6 C43 H88 O2 InChI=1S/C43H88O2/c1-35(2
    )18-12-20-37(5)22-14-24-3
    9(7)26-16-28-41(9)30-32-4
    4-34-43(11)45-33-31-42(10
    )29-17-27-40(8)25-15-23-3
    8(6)21-13-19-36(3)4/h35-4
    3H,12-34H2,1-11H3/t37-,38
    -,39-,40-,41-,42-,43+/m0/
    s1;
    ICKFQWWHLUUVMF-FYYCEQFTSA-N    		 O(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)CC(OCCC(C
    CCC(CCCC(C)CCCC(C)C)C)C)C; CC(C)CCC[CH](
    C)CCC[CH](C)CCC[CH](C)CCOC[CH](C)OCC[CH]
    (C)CCC[CH](C)CCC[CH](C)CCCC(C)C; CC(C)CC
    C[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@@H
    ](C)OCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)
    CCCC(C)C; CC(C)CCCC(C)CCCC(C)CCCC(C)CCOC
    C(C)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C    		 1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE;
    PHYTANYL MOIETY
    32265
    PH2
    CHEMBL1233322
    DB02119    		 63 C7 H9 N5 O2 InChI=1S/C7H9N5O2/c8-7-11
    -5-4(6(14)12-7)10-3(2-13)
    1-9-5/h13H,1-2H2,(H4,8,9,
    11,12,14);
    CQQNNQTXUGLUEV-UHFFFAOYSA-N    		 NC1=NC2=C(N=C(CO)CN2)C(=O)N1; O=C1NC(=NC
    =2NCC(=NC1=2)CO)N; C1C(=NC2=C(N1)N=C(NC2
    =O)N)CO    		 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE
    32266
    PH3
    CHEMBL323202
    DB04559    		 6 C7 H8 Cl N3 O InChI=1S/C7H8ClN3O/c8-5-1
    -3-6(4-2-5)10-7(9)11-12/h
    1-4,12H,(H3,9,10,11);
    JYBXKTLYOMPMQY-UHFFFAOYSA-N    		 ONC(=N)Nc1ccc(Cl)cc1; Clc1ccc(NC(=[N@H])
    NO)cc1; c1cc(ccc1NC(=N)NO)Cl    		 N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE
    32267
    PH4
    CHEMBL1235276
    ZINC000058638417    		 2 C5 H13 N O10 P2 InChI=1S/C5H13NO10P2/c7-5
    (4-16-18(12,13)14)6(8)2-1
    -3-15-17(9,10)11/h8H,1-4H
    2,(H2,9,10,11)(H2,12,13,1
    4);
    IISKWLQYGVRJHI-UHFFFAOYSA-N    		 C(CN(C(=O)COP(=O)(O)O)O)COP(=O)(O)O; ON(
    CCCO[P](O)(O)=O)C(=O)CO[P](O)(O)=O; O=P(
    O)(OCCCN(O)C(=O)COP(=O)(O)O)O    		 3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate
    32268
    PH5
    ZINC000016051842    		 3 C19 H27 N O9 InChI=1S/C19H27NO9/c1-2-1
    4(24)20-15-12(22)8-19(18(
    26)27,28-10-11-6-4-3-5-7-
    11)29-17(15)16(25)13(23)9
    -21/h3-7,12-13,15-17,21-2
    3,25H,2,8-10H2,1H3,(H,20,
    24)(H,26,27)/t12-,13+,15+
    ,16+,17+,19+/m0/s1;
    XDURJXFZCXMSHL-YZKZVDITSA-N    		 CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H
    ]([C@@H](CO)O)O)(C(=O)O)OCc2ccccc2)O; CC
    C(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)
    (O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O; CCC(=
    O)N[CH]1[CH](O)C[C](OCc2ccccc2)(O[CH]1[C
    H](O)[CH](O)CO)C(O)=O; CCC(=O)NC1C(CC(OC
    1C(C(CO)O)O)(C(=O)O)OCc2ccccc2)O; O=C(O)
    C2(OCc1ccccc1)OC(C(O)C(O)CO)C(NC(=O)CC)C
    (O)C2    		 benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid;
    2-PHENYL-PROP5AC;
    benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulosidonic acid;
    benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-D-galacto-non-2-ulosidonic acid;
    benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-galacto-non-2-ulosidonic acid
    32269
    PH6
    CHEMBL4091905
    ZINC000021984673    		 0 C11 H19 N O2 InChI=1S/C11H19NO2/c13-11
    (14)10-6-9(7-12-10)8-4-2-
    1-3-5-8/h8-10,12H,1-7H2,(
    H,13,14)/t9-,10+/m1/s1;
    XRZWVSXEDRYQGC-ZJUUUORDSA-N    		 OC(=O)[CH]1C[CH](CN1)C2CCCCC2; C1CCC(CC1
    )[C@@H]2C[C@H](NC2)C(=O)O; C1CCC(CC1)C2C
    C(NC2)C(=O)O; OC(=O)[C@@H]1C[C@H](CN1)C2
    CCCCC2; O=C(O)C2NCC(C1CCCCC1)C2    		 (4S)-4-cyclohexyl-L-proline
    32270
    PH7
    CHEMBL188442
    DB01720    		 1 C22 H16 Br N O4 InChI=1S/C22H16BrNO4/c23-
    18-8-4-5-9-20(18)28-17-12
    -10-15(11-13-17)14-19(22(
    26)27)24-21(25)16-6-2-1-3
    -7-16/h1-14H,(H,24,25)(H,
    26,27)/b19-14-;
    WLPJLQNKCJWAFL-RGEXLXHISA-N    		 c1ccc(cc1)C(=O)N/C(=C\c2ccc(cc2)Oc3ccccc
    3Br)/C(=O)O; Brc3ccccc3Oc2ccc(/C=C(/C(=O
    )O)NC(=O)c1ccccc1)cc2; c1ccc(cc1)C(=O)NC
    (=Cc2ccc(cc2)Oc3ccccc3Br)C(=O)O; OC(=O)C
    (/NC(=O)c1ccccc1)=C/c2ccc(Oc3ccccc3Br)cc
    2; OC(=O)C(NC(=O)c1ccccc1)=Cc2ccc(Oc3ccc
    cc3Br)cc2    		 (2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-2-PROPENOIC ACID
    32271
    PH8
    CHEMBL4071657
    ZINC000001570983    		 0 C11 H15 N O2 InChI=1S/C11H15NO2/c12-10
    (11(13)14)8-4-7-9-5-2-1-3
    -6-9/h1-3,5-6,10H,4,7-8,1
    2H2,(H,13,14)/t10-/m0/s1;
    XOQZTHUXZWQXOK-JTQLQIEISA-N    		 c1ccc(cc1)CCC[C@@H](C(=O)O)N; c1ccc(cc1)
    CCCC(C(=O)O)N; N[CH](CCCc1ccccc1)C(O)=O;
    N[C@@H](CCCc1ccccc1)C(O)=O; C(O)(=O)C(N
    )CCCc1ccccc1    		 5-phenyl-L-norvaline
    32272
    PH9    		 1 C26 H28 Br N O4 InChI=1S/C26H28BrNO4/c27-
    21-3-1-2-4-23(21)32-20-7-
    5-16(6-8-20)12-22(24(29)3
    0)28-25(31)26-13-17-9-18(
    14-26)11-19(10-17)15-26/h
    1-8,17-19,22H,9-15H2,(H,2
    8,31)(H,29,30)/t17-,18+,1
    9-,22?,26+;
    SJHUUZUNPUEALW-ZDXWGTOVSA-N    		 Brc5ccccc5Oc1ccc(cc1)CC(C(=O)O)NC(=O)C24
    CC3CC(CC(C2)C3)C4; OC(=O)[C@@H](Cc1ccc(O
    c2ccccc2Br)cc1)NC(=O)C34CC5CC(CC(C5)C3)C
    4; c1ccc(c(c1)Oc2ccc(cc2)CC(C(=O)O)NC(=O
    )C34CC5CC(C3)CC(C5)C4)Br; OC(=O)[CH](Cc1
    ccc(Oc2ccccc2Br)cc1)NC(=O)C34CC5CC(CC(C5
    )C3)C4    		 (2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]-3-[4-(2-BROMOPHENOXY)PHENYL]PROP-2-ENOIC ACID
    32273
    PHA    		 1 C9 H11 N O InChI=1S/C9H11NO/c10-9(7-
    11)6-8-4-2-1-3-5-8/h1-5,7
    ,9H,6,10H2/t9-/m0/s1;
    CQIUZHAQYHXKRY-VIFPVBQESA-N    		 c1ccc(cc1)CC(C=O)N; c1ccc(cc1)C[C@@H](C=
    O)N; O=CC(N)Cc1ccccc1; N[CH](Cc1ccccc1)C
    =O; N[C@@H](Cc1ccccc1)C=O    		 PHENYLALANINAL
    32274
    PHB
    CHEMBL441343
    DB04242
    ZINC000000332752    		 0 C7 H6 O3 InChI=1S/C7H6O3/c8-6-3-1-
    5(2-4-6)7(9)10/h1-4,8H,(H
    ,9,10);
    FJKROLUGYXJWQN-UHFFFAOYSA-N    		 OC(=O)c1ccc(O)cc1; O=C(O)c1ccc(O)cc1; c1
    cc(ccc1C(=O)O)O    		 P-HYDROXYBENZOIC ACID
    32275
    PHC    		 0 C10 H13 N O InChI=1S/C10H13NO/c1-9(11
    (2)8-12)10-6-4-3-5-7-10/h
    3-9H,1-2H3/t9-/m0/s1;
    YYPINKULTUCCJA-VIFPVBQESA-N    		 C[C@@H](c1ccccc1)N(C)C=O; O=CN(C(c1ccccc
    1)C)C; C[C@H](N(C)C=O)c1ccccc1; C[CH](N(
    C)C=O)c1ccccc1; CC(c1ccccc1)N(C)C=O    		 N-METHYL-N-(METHYLBENZYL)FORMAMIDE
    32276
    PHD
    DB01857    		 0 C4 H8 N O7 P InChI=1S/C4H8NO7P/c5-2(4(
    7)8)1-3(6)12-13(9,10)11/h
    2H,1,5H2,(H,7,8)(H2,9,10,
    11)/t2-/m0/s1;
    IXZNKTPIYKDIGG-REOHCLBHSA-N    		 C(C(C(=O)O)N)C(=O)OP(=O)(O)O; N[CH](CC(=
    O)O[P](O)(O)=O)C(O)=O; O=C(OP(=O)(O)O)CC
    (C(=O)O)N; N[C@@H](CC(=O)O[P](O)(O)=O)C(
    O)=O; C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O    		 ASPARTYL PHOSPHATE
    32277
    PHE
    CHEMBL301523
    DB00120
    ZINC000000105196    		 432 C9 H11 N O2 InChI=1S/C9H11NO2/c10-8(9
    (11)12)6-7-4-2-1-3-5-7/h1
    -5,8H,6,10H2,(H,11,12)/t8
    -/m0/s1;
    COLNVLDHVKWLRT-QMMMGPOBSA-N    		 N[CH](Cc1ccccc1)C(O)=O; N[C@@H](Cc1ccccc
    1)C(O)=O; c1ccc(cc1)CC(C(=O)O)N; c1ccc(c
    c1)C[C@@H](C(=O)O)N; O=C(O)C(N)Cc1ccccc1    		 PHENYLALANINE
    32278
    PHF    		 3 H11 Hf5 O23 P InChI=1S/5Hf.H3O4P.11H2O.
    8O/c;;;;;1-5(2,3)4;;;;;;;
    ;;;;;;;;;;;;/h;;;;;(H3,1,
    2,3,4);11*1H2;;;;;;;;/q2*
    +2;2*+3;+4;;;;;;;;;;;;;;;
    ;;;;;/p-14;
    YWHPABBSPOVOJT-UHFFFAOYSA-A    		 O[Hf]123O[P]4(=O)O[Hf]5(O)(O)(O)(O1)O[Hf
    ]67(O)(O4)(O[Hf]8(O)(O)(O)O[Hf](O)(O)(O)
    (O2)(O6)[O]378)O5; O[Hf]12(O[Hf]34(O15[H
    f]67(O3)(OP8(=O)O[Hf]9(O6)(O7[Hf]5(O8)(O
    2)(O9)(O4)O)(O)(O)O)O)(O)(O)O)(O)O; O[Hf
    ]12(O[Hf]34(O15[Hf]67(O3)(O[P@@]8(=O)O[H
    f]9(O6)(O7[Hf]5(O8)(O2)(O9)(O4)O)(O)(O)O
    )O)(O)(O)O)(O)O; O[Hf]123O[P@@]4(=O)O[Hf
    ]5(O)(O)(O)(O1)O[Hf]67(O)(O4)(O[Hf]8(O)(
    O)(O)O[Hf](O)(O)(O)(O2)(O6)[O]378)O5    		 HF-OXO-PHOSPHATE CLUSTER PHF
    32279
    PHG    		 1 C6 H5 Hg InChI=1S/C6H5.Hg/c1-2-4-6
    -5-3-1;/h1-5H;;
    DCNLOVYDMCVNRZ-UHFFFAOYSA-N    		 [Hg]c1ccccc1; c1ccc(cc1)[Hg] PHENYLMERCURY
    32280
    PHH
    CHEMBL357452
    DB03302
    ZINC000002012697    		 1 C8 H2 Cl4 O2 InChI=1S/C8H2Cl4O2/c9-4-2
    -1-14-8(13)3(2)5(10)7(12)
    6(4)11/h1H2;
    NMWKWBPNKPGATC-UHFFFAOYSA-N    		 O=C1OCc2c1c(Cl)c(Cl)c(Cl)c2Cl; Clc1c(Cl)
    c(Cl)c2C(=O)OCc2c1Cl; C1c2c(c(c(c(c2Cl)C
    l)Cl)Cl)C(=O)O1    		 4,5,6,7-TETRACHLORO-PHTHALIDE;
    4,5,6,7-TETRACHLORO-3H-ISOBENZOFURAN-1-ONE
    32281
    PHI
    DB03660
    ZINC000000391104    		 5 C9 H10 I N O2 InChI=1S/C9H10INO2/c10-7-
    3-1-6(2-4-7)5-8(11)9(12)1
    3/h1-4,8H,5,11H2,(H,12,13
    )/t8-/m0/s1;
    PZNQZSRPDOEBMS-QMMMGPOBSA-N    		 N[CH](Cc1ccc(I)cc1)C(O)=O; N[C@@H](Cc1cc
    c(I)cc1)C(O)=O; c1cc(ccc1CC(C(=O)O)N)I;
    c1cc(ccc1C[C@@H](C(=O)O)N)I; Ic1ccc(cc1)
    CC(C(=O)O)N    		 IODO-PHENYLALANINE
    32282
    PHJ
    DB04157    		 2 C7 H8 N2 O2 InChI=1S/C7H8N2O2/c8-11-7
    (10)9-6-4-2-1-3-5-6/h1-5H
    ,8H2,(H,9,10);
    YQHOHPOCZUAUKP-UHFFFAOYSA-N    		 c1ccc(cc1)NC(=O)ON; O=C(ON)Nc1ccccc1; NO
    C(=O)Nc1ccccc1    		 N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE;
    N-[(AMINOOXY)CARBONYL]ANILINE
    32283
    PHK
    DB04415
    ZINC000012504342    		 2 C10 H14 Cl N O InChI=1S/C10H14ClNO/c11-7
    -10(13)9(12)6-8-4-2-1-3-5
    -8/h1-5,9-10,13H,6-7,12H2
    /t9-,10-/m0/s1;
    YXWOYBQZWSLSMU-UWVGGRQHSA-N    		 c1ccc(cc1)C[C@@H]([C@H](CCl)O)N; N[CH](C
    c1ccccc1)[CH](O)CCl; N[C@@H](Cc1ccccc1)[
    C@@H](O)CCl; ClCC(O)C(N)Cc1ccccc1; c1ccc
    (cc1)CC(C(CCl)O)N    		 (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-BUTAN-2-OL
    32284
    PHL
    CHEMBL1235287
    DB04484
    ZINC000006731693    		 0 C9 H13 N O InChI=1S/C9H13NO/c10-9(7-
    11)6-8-4-2-1-3-5-8/h1-5,9
    ,11H,6-7,10H2/t9-/m0/s1;
    STVVMTBJNDTZBF-VIFPVBQESA-N    		 N[CH](CO)Cc1ccccc1; c1ccc(cc1)CC(CO)N; N
    [C@H](CO)Cc1ccccc1; OCC(N)Cc1ccccc1; c1c
    cc(cc1)C[C@@H](CO)N    		 L-PHENYLALANINOL;
    bound form of Phenylalaninal
    32285
    PHM    		 0 C10 H12 Cl N O InChI=1S/C10H12ClNO/c11-7
    -10(13)9(12)6-8-4-2-1-3-5
    -8/h1-5,9H,6-7,12H2/t9-/m
    0/s1;
    CNNSBPMDYXZFTQ-VIFPVBQESA-N    		 ClCC(=O)C(N)Cc1ccccc1; N[CH](Cc1ccccc1)C
    (=O)CCl; c1ccc(cc1)CC(C(=O)CCl)N; c1ccc(
    cc1)C[C@@H](C(=O)CCl)N; N[C@@H](Cc1ccccc
    1)C(=O)CCl    		 (3S)-3-amino-1-chloro-4-phenylbutan-2-one
    32286
    PHN
    CHEMBL415879
    DB02365
    ZINC000000164363    		 29 C12 H8 N2 InChI=1S/C12H8N2/c1-3-9-5
    -6-10-4-2-8-14-12(10)11(9
    )13-7-1/h1-8H;
    DGEZNRSVGBDHLK-UHFFFAOYSA-N    		 c1cc2ccc3cccnc3c2nc1; c1cnc2c(c1)ccc3ccc
    nc23; n1c3c(ccc1)ccc2cccnc23    		 1,10-PHENANTHROLINE
    32287
    PHO
    CHEMBL3349047    		 1243 C55 H74 N4 O5 InChI=1S/C55H74N4O5/c1-13
    -39-35(8)42-28-44-37(10)4
    1(24-25-48(60)64-27-26-34
    (7)23-17-22-33(6)21-16-20
    -32(5)19-15-18-31(3)4)52(
    58-44)50-51(55(62)63-12)5
    4(61)49-38(11)45(59-53(49
    )50)30-47-40(14-2)36(9)43
    (57-47)29-46(39)56-42/h13
    ,26,28-33,37,41,51,56,59H
    ,1,14-25,27H2,2-12H3/b34-
    26+,42-28-,43-29-,44-28-,
    45-30-,46-29-,47-30-,52-5
    0-/t32-,33-,37+,41+,51-/m
    1/s1;
    CQIKWXUXPNUNDV-RCBXBCQGSA-N    		 CCC1=C(c2cc3c(c(c([nH]3)cc4nc(c5c6c(c(c(
    [nH]6)cc1n2)C)C(=O)C5C(=O)OC)C(C4C)CCC(=
    O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C=C)C
    ; CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O
    )OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)
    C)[C@@H]4C)c5[C@@H](C(=O)OC)C(=O)c6c(C)c
    ([nH]c56)cc1n2)c(C)c3C=C; O=C(OC\C=C(/C)
    CCCC(C)CCCC(C)CCCC(C)C)CCC6c4nc(cc1c(c(\
    C=C)c(n1)cc5nc(cc3c(c2C(=O)C(c4c2n3)C(=O
    )OC)C)C(=C5C)CC)C)C6C; CCC1=C(/c/2c/c3c(
    c(c([nH]3)/cc/4\nc(c5c6c(c(/c(/[nH]6)c/c
    1n2)C)C(=O)[C@@H]5C(=O)OC)[C@H]([C@@H]4C
    )CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C
    )CCCC(C)C)C)C=C)C; CCc1c(C)c2cc3[nH]c(cc
    4nc([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH
    ](C)CCCC(C)C)[CH]4C)c5[CH](C(=O)OC)C(=O)
    c6c(C)c([nH]c56)cc1n2)c(C)c3C=C    		 PHEOPHYTIN A
    32288
    PHP
    ZINC000098209299    		 2 C42 H51 N4 O8 P InChI=1S/C42H51N4O8P/c1-2
    9(2)37(45-41(49)53-27-33-
    21-13-7-14-22-33)39(47)43
    -35(25-31-17-9-5-10-18-31
    )55(51,52)36(26-32-19-11-
    6-12-20-32)44-40(48)38(30
    (3)4)46-42(50)54-28-34-23
    -15-8-16-24-34/h5-24,29-3
    0,35-38H,25-28H2,1-4H3,(H
    ,43,47)(H,44,48)(H,45,49)
    (H,46,50)(H,51,52)/t35-,3
    6-,37+,38+/m1/s1;
    NKLAQVJZOVABOV-RNATXAOGSA-N    		 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]
    (Cc2ccccc2)[P@@](O)(=O)[C@H](Cc3ccccc3)N
    C(=O)[C@@H](NC(=O)OCc4ccccc4)C(C)C; CC(C
    )C(C(=O)NC(Cc1ccccc1)P(=O)(C(Cc2ccccc2)N
    C(=O)C(C(C)C)NC(=O)OCc3ccccc3)O)NC(=O)OC
    c4ccccc4; CC(C)[C@@H](C(=O)N[C@@H](Cc1cc
    ccc1)P(=O)([C@H](Cc2ccccc2)NC(=O)[C@H](C
    (C)C)NC(=O)OCc3ccccc3)O)NC(=O)OCc4ccccc4
    ; O=C(OCc1ccccc1)NC(C(=O)NC(Cc2ccccc2)P(
    =O)(O)C(NC(=O)C(NC(=O)OCc3ccccc3)C(C)C)C
    c4ccccc4)C(C)C; CC(C)[CH](NC(=O)OCc1cccc
    c1)C(=O)N[CH](Cc2ccccc2)[P](O)(=O)[CH](C
    c3ccccc3)NC(=O)[CH](NC(=O)OCc4ccccc4)C(C
    )C    		 (2-PHENYL-1-CARBOBENZYL-OXYVALYL-AMINO)-ETHYL-PHOSPHINIC ACID
    32289
    PHQ
    CHEMBL1581748
    ZINC000000388130    		 0 C8 H7 Cl O2 InChI=1S/C8H7ClO2/c9-8(10
    )11-6-7-4-2-1-3-5-7/h1-5H
    ,6H2;
    HSDAJNMJOMSNEV-UHFFFAOYSA-N    		 c1ccc(cc1)COC(=O)Cl; ClC(=O)OCc1ccccc1 benzyl chlorocarbonate
    32290
    PHR
    ZINC000058638660    		 20 C16 H27 N4 O11 P InChI=1S/C16H27N4O11P/c21
    -8-10(23)12(24)9(22)7-20-
    13-11(14(25)18-15(26)17-1
    3)19(16(20)27)5-3-1-2-4-6
    -31-32(28,29)30/h9-10,12,
    21-24H,1-8H2,(H2,28,29,30
    )(H2,17,18,25,26)/t9-,10-
    ,12+/m1/s1;
    SLRQIPDGMUYATQ-FOGDFJRCSA-N    		 C(CCCOP(=O)(O)O)CCN1C2=C(NC(=O)NC2=O)N(C
    1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O; OC[C@
    @H](O)[C@@H](O)[C@H](O)CN1C(=O)N(CCCCCCO
    [P](O)(O)=O)C2=C1NC(=O)NC2=O; OC[CH](O)[
    CH](O)[CH](O)CN1C(=O)N(CCCCCCO[P](O)(O)=
    O)C2=C1NC(=O)NC2=O; O=C1C2=C(NC(=O)N1)N(
    C(=O)N2CCCCCCOP(=O)(O)O)CC(O)C(O)C(O)CO;
    C(CCCOP(=O)(O)O)CCN1C2=C(NC(=O)NC2=O)N(
    C1=O)CC(C(C(CO)O)O)O    		 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL ) HEXANE 1-PHOSPHATE
    32291
    PHS
    CHEMBL1235291
    ZINC000245204350    		 17 H3 O3 P InChI=1S/H3O3P/c1-4(2)3/h
    4H,(H2,1,2,3);
    ABLZXFCXXLZCGV-UHFFFAOYSA-N    		 OP(=O)O; O=P(O)O; O[PH](O)=O PHOSPHONIC ACID
    32292
    PHT
    CHEMBL1045
    DB02746
    ZINC000000090750    		 27 C8 H6 O4 InChI=1S/C8H6O4/c9-7(10)5
    -3-1-2-4-6(5)8(11)12/h1-4
    H,(H,9,10)(H,11,12);
    XNGIFLGASWRNHJ-UHFFFAOYSA-N    		 OC(=O)c1ccccc1C(O)=O; O=C(O)c1ccccc1C(=O
    )O; c1ccc(c(c1)C(=O)O)C(=O)O    		 PHTHALIC ACID
    32293
    PHU
    CHEMBL168445
    ZINC000000391870    		 26 C7 H8 N2 O InChI=1S/C7H8N2O/c8-7(10)
    9-6-4-2-1-3-5-6/h1-5H,(H3
    ,8,9,10);
    LUBJCRLGQSPQNN-UHFFFAOYSA-N    		 c1ccc(cc1)NC(=O)N; NC(=O)Nc1ccccc1; O=C(
    Nc1ccccc1)N    		 1-phenylurea;
    Phenylurea
    32294
    PHV
    ZINC000098209300    		 1 C33 H40 N3 O8 P InChI=1S/C33H40N3O8P/c1-4
    3-22-12-20-28(45(40,41)42
    )34-31(37)27-19-11-21-36(
    27)32(38)30(35-33(39)44-2
    3-24-13-5-2-6-14-24)29(25
    -15-7-3-8-16-25)26-17-9-4
    -10-18-26/h2-10,13-18,27-
    30H,11-12,19-23H2,1H3,(H,
    34,37)(H,35,39)(H2,40,41,
    42)/t27-,28-,30+/m0/s1;
    RQOYKJRZXWFGEE-TWLDFKIOSA-N    		 COCCCC(NC(=O)C1CCCN1C(=O)C(C(c2ccccc2)c3
    ccccc3)NC(=O)OCc4ccccc4)P(=O)(O)O; COCCC
    [C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c
    2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)P(=O)(
    O)O; O=C(NC(CCCOC)P(=O)(O)O)C4N(C(=O)C(N
    C(=O)OCc1ccccc1)C(c2ccccc2)c3ccccc3)CCC4
    ; COCCC[CH](NC(=O)[CH]1CCCN1C(=O)[CH](NC
    (=O)OCc2ccccc2)C(c3ccccc3)c4ccccc4)[P](O
    )(O)=O; COCCC[C@@H](NC(=O)[C@@H]1CCCN1C(
    =O)[C@H](NC(=O)OCc2ccccc2)C(c3ccccc3)c4c
    cccc4)[P](O)(O)=O    		 N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-[(1S)-4-methoxy-1-phosphonobutyl]-L-prolinamide
    32295
    PHW
    ZINC000098209301    		 1 C45 H48 N3 O9 P InChI=1S/C45H48N3O9P/c1-5
    4-32-18-30-40(58(52,53,56
    -37-25-13-5-14-26-37)57-3
    8-27-15-6-16-28-38)46-43(
    49)39-29-17-31-48(39)44(5
    0)42(47-45(51)55-33-34-19
    -7-2-8-20-34)41(35-21-9-3
    -10-22-35)36-23-11-4-12-2
    4-36/h2-16,18-28,32,39-42
    ,52-53H,17,29-31,33H2,1H3
    ,(H,46,49)(H,47,51)/b32-1
    8+/t39-,40-,42+/m0/s1;
    RYHYSOICLVLDDN-JBHUJMBHSA-N    		 COC=CC[CH](NC(=O)[CH]1CCCN1C(=O)[CH](NC(
    =O)OCc2ccccc2)C(c3ccccc3)c4ccccc4)[P](O)
    (O)(Oc5ccccc5)Oc6ccccc6; CO\C=C\C[C@@H](
    NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OCc2c
    cccc2)C(c3ccccc3)c4ccccc4)[P](O)(O)(Oc5c
    cccc5)Oc6ccccc6; O=C(NC(C\\C=C\\OC)P(Oc1
    ccccc1)(Oc2ccccc2)(O)O)C6N(C(=O)C(NC(=O)
    OCc3ccccc3)C(c4ccccc4)c5ccccc5)CCC6; COC
    =CCC(NC(=O)C1CCCN1C(=O)C(C(c2ccccc2)c3cc
    ccc3)NC(=O)OCc4ccccc4)P(O)(O)(Oc5ccccc5)
    Oc6ccccc6; CO/C=C/C[C@@H](NC(=O)[C@@H]1C
    CCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=
    O)OCc4ccccc4)P(O)(O)(Oc5ccccc5)Oc6ccccc6    		 N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-{(1S,3E)-1-[dihydroxy(diphenoxy)-lambda~5~-phosphanyl]-4-methoxybut-3-en-1-yl}-L-prolinamide
    32296
    PHX
    DB08396    		 3 C14 H14 N2 O4 InChI=1S/C14H14N2O4/c17-1
    2(18)7-4-8-15-9-11-14(19)
    20-13(16-11)10-5-2-1-3-6-
    10/h1-3,5-6,9,15H,4,7-8H2
    ,(H,17,18);
    PXGNVFUWTUIRCJ-UHFFFAOYSA-N    		 O=C1OC(=N\C1=C\NCCCC(=O)O)c2ccccc2; OC(=
    O)CCCNC=C1N=C(OC1=O)c2ccccc2; OC(=O)CCCN
    \C=C1/N=C(OC1=O)c2ccccc2; c1ccc(cc1)C2=N
    C(=CNCCCC(=O)O)C(=O)O2    		 4-{[(Z)-(5-OXO-2-PHENYL-1,3-OXAZOL-4(5H)-YLIDENE)METHYL]AMINO}BUTANOIC ACID
    32297
    PHY
    ZINC000001532435    		 5 C6 H15 N O7 P2 InChI=1S/C6H15NO7P2/c1-4(
    6(8)9)3-15(10,5(2)7)14-16
    (11,12)13/h4-5H,3,7H2,1-2
    H3,(H,8,9)(H2,11,12,13)/t
    4-,5-,15+/m0/s1;
    BAIYWTZQRMCJBV-DKDXWZAISA-N    		 C[C@@H](N)[P@@](=O)(C[C@H](C)C(O)=O)O[P]
    (O)(O)=O; CC(CP(=O)(C(C)N)OP(=O)(O)O)C(=
    O)O; C[C@@H](C[P@](=O)([C@@H](C)N)OP(=O)
    (O)O)C(=O)O; O=P(OP(=O)(O)O)(C(N)C)CC(C(
    =O)O)C; C[CH](N)[P](=O)(C[CH](C)C(O)=O)O
    [P](O)(O)=O    		 1(S)-AMINOETHYL-(2-CARBOXYPROPYL)PHOSPHORYL-PHOSPHINIC ACID
    32298
    PHZ
    CHEMBL456807
    ZINC000000388099    		 2 C6 H8 N2 InChI=1S/C6H8N2/c7-8-6-4-
    2-1-3-5-6/h1-5,8H,7H2;
    HKOOXMFOFWEVGF-UHFFFAOYSA-N    		 NNc1ccccc1; c1ccc(cc1)NN 1-PHENYLHYDRAZINE;
    phenyldiazane
    32299
    PI    		 0 H O4 P InChI=1S/H3O4P/c1-5(2,3)4
    /h(H3,1,2,3,4)/p-2;
    NBIIXXVUZAFLBC-UHFFFAOYSA-L    		 [O-]P([O-])(=O)O; OP(=O)([O-])[O-]; O[P]
    ([O-])([O-])=O    		 HYDROGENPHOSPHATE ION
    32300
    PI0
    ZINC000039035254    		 1 C26 H36 N6 O5 S InChI=1S/C26H36N6O5S/c1-3
    -17(2)23(32-38(36,37)16-1
    9-7-5-4-6-8-19)26(35)31-2
    1(13-14-22(27)33)25(34)30
    -15-18-9-11-20(12-10-18)2
    4(28)29/h4-12,17,21,23,32
    H,3,13-16H2,1-2H3,(H2,27,
    33)(H3,28,29)(H,30,34)(H,
    31,35)/t17-,21+,23-/m1/s1;
    RKXCEYZSZWJMTQ-FRGLQRNOSA-N    		 [H]N=C(c1ccc(cc1)CNC(=O)C(CCC(=O)N)NC(=O
    )C(C(C)CC)NS(=O)(=O)Cc2ccccc2)N; CC[CH](
    C)[CH](N[S](=O)(=O)Cc1ccccc1)C(=O)N[CH](
    CCC(N)=O)C(=O)NCc2ccc(cc2)C(N)=N; [H]/N=
    C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O
    )[C@@H]([C@H](C)CC)NS(=O)(=O)Cc2ccccc2)\
    N; O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C
    (=[N@H])N)CCC(=O)N)C(C)CC)Cc2ccccc2; CC[
    C@@H](C)[C@@H](N[S](=O)(=O)Cc1ccccc1)C(=
    O)N[C@@H](CCC(N)=O)C(=O)NCc2ccc(cc2)C(N)
    =N    		 (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[[(2R,3R)-3-methyl-2-(phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide
    32301
    PI1    		 0 C34 H53 N7 O8 InChI=1S/C34H53N7O8/c1-5-
    20(4)30(34(48)39-29(19(2)
    3)31(36)45)40-33(47)25-8-
    6-14-41(25)18-26(42)23-16
    -21-10-12-22(13-11-21)49-
    15-7-9-28(44)37-24(17-27(
    35)43)32(46)38-23/h10-13,
    19-20,23-26,29-30,42H,5-9
    ,14-18H2,1-4H3,(H2,35,43)
    (H2,36,45)(H,37,44)(H,38,
    46)(H,39,48)(H,40,47)/t20
    -,23-,24-,25-,26-,29-,30-
    /m0/s1;
    NTXPPIBCRQQDJL-DNNFQJJYSA-N    		 CCC(C)C(C(=O)NC(C(C)C)C(=O)N)NC(=O)C1CCC
    N1CC(C2Cc3ccc(cc3)OCCCC(=O)NC(C(=O)N2)CC
    (=O)N)O; CC[C@H](C)[C@H](NC(=O)[C@@H]1CC
    CN1C[C@H](O)[C@@H]2Cc3ccc(OCCCC(=O)N[C@@
    H](CC(N)=O)C(=O)N2)cc3)C(=O)N[C@@H](C(C)
    C)C(N)=O; CC[C@H](C)[C@@H](C(=O)N[C@@H](
    C(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C[C@@H]([
    C@@H]2Cc3ccc(cc3)OCCCC(=O)N[C@H](C(=O)N2
    )CC(=O)N)O; O=C(N)C(NC(=O)C(NC(=O)C1N(CC
    C1)CC(O)C3NC(=O)C(NC(=O)CCCOc2ccc(cc2)C3
    )CC(=O)N)C(C)CC)C(C)C; CC[CH](C)[CH](NC(
    =O)[CH]1CCCN1C[CH](O)[CH]2Cc3ccc(OCCCC(=
    O)N[CH](CC(N)=O)C(=O)N2)cc3)C(=O)N[CH](C
    (C)C)C(N)=O    		 ;
    MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 1
    32302
    PI2
    ZINC000031260358    		 0 C23 H36 N4 O5 InChI=1S/C23H36N4O5/c1-15
    (2)9-10-25-14-20(28)18-12
    -16-5-7-17(8-6-16)32-11-3
    -4-22(30)26-19(13-21(24)2
    9)23(31)27-18/h5-8,15,18-
    20,25,28H,3-4,9-14H2,1-2H
    3,(H2,24,29)(H,26,30)(H,2
    7,31)/t18-,19-,20+/m0/s1;
    SCRDVDSVEKGWGQ-SLFFLAALSA-N    		 CC(C)CCNCC(C1Cc2ccc(cc2)OCCCC(=O)NC(C(=O
    )N1)CC(=O)N)O; O=C1NC(C(O)CNCCC(C)C)Cc2c
    cc(OCCCC(=O)NC1CC(=O)N)cc2; CC(C)CCNC[C@
    H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=
    O)N1)CC(=O)N)O; CC(C)CCNC[C@@H](O)[C@@H]
    1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1
    )cc2; CC(C)CCNC[CH](O)[CH]1Cc2ccc(OCCCC(
    =O)N[CH](CC(N)=O)C(=O)N1)cc2    		 2-{11-[1-HYDROXY-2-(3-METHYL-BUTYLAMINO)-ETHYL] -6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14-TRIEN-8-YL}-ACETAMIDE;
    MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 2
    32303
    PI3
    ZINC000008577179    		 0 C24 H39 N3 O4 InChI=1S/C24H39N3O4/c1-16
    (2)11-12-25-15-21(28)20-1
    4-18-7-9-19(10-8-18)31-13
    -5-6-22(29)27-23(17(3)4)2
    4(30)26-20/h7-10,16-17,20
    -21,23,25,28H,5-6,11-15H2
    ,1-4H3,(H,26,30)(H,27,29)
    /t20-,21+,23-/m0/s1;
    IUDJFSQFSQZRNP-XJUOHMSHSA-N    		 CC(C)CCNCC(C1Cc2ccc(cc2)OCCCC(=O)NC(C(=O
    )N1)C(C)C)O; CC(C)CCNC[C@@H](O)[C@@H]1Cc
    2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2;
    CC(C)CCNC[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(
    =O)N[C@H](C(=O)N1)C(C)C)O; O=C1NC(C(O)CN
    CCC(C)C)Cc2ccc(OCCCC(=O)NC1C(C)C)cc2; CC
    (C)CCNC[CH](O)[CH]1Cc2ccc(OCCCC(=O)N[CH]
    (C(C)C)C(=O)N1)cc2    		 11-[1-HYDROXY-2-(3-METHYL-BUTYLAMINO)-ETHYL]-8-ISOPROPYL-2-OXA-7,10- DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14-TRIENE-6,9-DIONE;
    MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 3
    32304
    PI4
    ZINC000014954120    		 2 C28 H43 N5 O6 InChI=1S/C28H43N5O6/c1-28
    (2,3)32-27(38)22-7-4-5-13
    -33(22)17-23(34)20-15-18-
    9-11-19(12-10-18)39-14-6-
    8-25(36)30-21(16-24(29)35
    )26(37)31-20/h9-12,20-23,
    34H,4-8,13-17H2,1-3H3,(H2
    ,29,35)(H,30,36)(H,31,37)
    (H,32,38)/t20-,21-,22-,23
    +/m0/s1;
    GHEDXAXQQMZPLE-CWBXHPNXSA-N    		 CC(C)(C)NC(=O)[C@@H]1CCCC[N@]1C[C@H]([C@
    @H]2Cc3ccc(cc3)OCCCC(=O)N[C@H](C(=O)N2)C
    C(=O)N)O; CC(C)(C)NC(=O)[CH]1CCCCN1C[CH]
    (O)[CH]2Cc3ccc(OCCCC(=O)N[CH](CC(N)=O)C(
    =O)N2)cc3; CC(C)(C)NC(=O)C1CCCCN1CC(C2Cc
    3ccc(cc3)OCCCC(=O)NC(C(=O)N2)CC(=O)N)O;
    O=C(NC(C)(C)C)C1N(CCCC1)CC(O)C3NC(=O)C(N
    C(=O)CCCOc2ccc(cc2)C3)CC(=O)N; CC(C)(C)N
    C(=O)[C@@H]1CCCCN1C[C@@H](O)[C@@H]2Cc3cc
    c(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N2)cc3    		 1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14-TRIEN-11-YL)-2-HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE;
    MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 4
    32305
    PI5
    ZINC000058632560    		 2 C37 H53 N5 O7 InChI=1S/C37H53N5O7/c1-5-
    24(4)33-36(47)38-17-7-19-
    49-28-15-11-26(12-16-28)2
    1-30(35(46)41-33)39-22-31
    (44)29(20-25-9-13-27(43)1
    4-10-25)40-37(48)34(23(2)
    3)42-18-6-8-32(42)45/h9-1
    6,23-24,29-31,33-34,39,43
    -44H,5-8,17-22H2,1-4H3,(H
    ,38,47)(H,40,48)(H,41,46)
    /t24-,29-,30-,31+,33-,34-
    /m0/s1;
    WGWWDGLTNADWNS-HKERLIEGSA-N    		 CC[CH](C)[CH]1NC(=O)[CH](Cc2ccc(OCCCNC1=
    O)cc2)NC[CH](O)[CH](Cc3ccc(O)cc3)NC(=O)[
    CH](C(C)C)N4CCCC4=O; O=C1N(CCC1)C(C(=O)N
    C(Cc2ccc(O)cc2)C(O)CNC4C(=O)NC(C(=O)NCCC
    Oc3ccc(cc3)C4)C(C)CC)C(C)C; CC[C@H](C)[C
    @@H]1NC(=O)[C@H](Cc2ccc(OCCCNC1=O)cc2)NC
    [C@@H](O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](
    C(C)C)N4CCCC4=O; CCC(C)C1C(=O)NCCCOc2ccc
    (cc2)CC(C(=O)N1)NCC(C(Cc3ccc(cc3)O)NC(=O
    )C(C(C)C)N4CCCC4=O)O; CC[C@H](C)[C@H]1C(
    =O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H
    ]([C@H](Cc3ccc(cc3)O)NC(=O)[C@H](C(C)C)N
    4CCCC4=O)O    		 N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14- TRIEN-11-YLAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL)-PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-1-YL)-BUTYRAMIDE;
    MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 5
    32306
    PI6
    ZINC000014954127    		 4 C33 H48 N4 O6 InChI=1S/C33H48N4O6/c1-6-
    22(2)29-31(40)34-17-10-18
    -42-25-15-13-24(14-16-25)
    20-27(30(39)37-29)35-21-2
    8(38)26(19-23-11-8-7-9-12
    -23)36-32(41)43-33(3,4)5/
    h7-9,11-16,22,26-29,35,38
    H,6,10,17-21H2,1-5H3,(H,3
    4,40)(H,36,41)(H,37,39)/t
    22-,26-,27-,28+,29-/m0/s1;
    RFUKEYSMPSCDLJ-CLFZCTPNSA-N    		 CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@
    @H](C(=O)N1)NC[C@H]([C@H](Cc3ccccc3)NC(=
    O)OC(C)(C)C)O; CC[C@H](C)[C@@H]1NC(=O)[C
    @H](Cc2ccc(OCCCNC1=O)cc2)NC[C@@H](O)[C@H
    ](Cc3ccccc3)NC(=O)OC(C)(C)C; CC[CH](C)[C
    H]1NC(=O)[CH](Cc2ccc(OCCCNC1=O)cc2)NC[CH
    ](O)[CH](Cc3ccccc3)NC(=O)OC(C)(C)C; O=C(
    OC(C)(C)C)NC(Cc1ccccc1)C(O)CNC3C(=O)NC(C
    (=O)NCCCOc2ccc(cc2)C3)C(C)CC; CCC(C)C1C(
    =O)NCCCOc2ccc(cc2)CC(C(=O)N1)NCC(C(Cc3cc
    ccc3)NC(=O)OC(C)(C)C)O    		 [1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER;
    MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 6
    32307
    PI7
    ZINC000058638592    		 2 C36 H53 N5 O7 InChI=1S/C36H53N5O7/c1-6-
    23(5)33-35(46)37-17-8-18-
    48-27-15-11-25(12-16-27)2
    0-29(34(45)41-33)38-21-30
    (43)28(19-24-9-13-26(42)1
    4-10-24)39-36(47)32(22(3)
    4)40-31(44)7-2/h9-16,22-2
    3,28-30,32-33,38,42-43H,6
    -8,17-21H2,1-5H3,(H,37,46
    )(H,39,47)(H,40,44)(H,41,
    45)/t23-,28-,29-,30+,32-,
    33-/m0/s1;
    GGJVAHWDPSGNIX-UFJOGPAOSA-N    		 CCC(C)C1C(=O)NCCCOc2ccc(cc2)CC(C(=O)N1)N
    CC(C(Cc3ccc(cc3)O)NC(=O)C(C(C)C)NC(=O)CC
    )O; O=C(NC(C(=O)NC(Cc1ccc(O)cc1)C(O)CNC3
    C(=O)NC(C(=O)NCCCOc2ccc(cc2)C3)C(C)CC)C(
    C)C)CC; CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(
    cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccc
    (cc3)O)NC(=O)[C@H](C(C)C)NC(=O)CC)O; CC[
    C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCNC1
    =O)cc2)NC[C@@H](O)[C@H](Cc3ccc(O)cc3)NC(
    =O)[C@@H](NC(=O)CC)C(C)C; CC[CH](C)[CH]1
    NC(=O)[CH](Cc2ccc(OCCCNC1=O)cc2)NC[CH](O
    )[CH](Cc3ccc(O)cc3)NC(=O)[CH](NC(=O)CC)C
    (C)C    		 N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL) -PROPYL]-3-METHYL-2-PROPIONYLAMINO-BUTYRAMIDE;
    MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 7
    32308
    PI8
    ZINC000027102321    		 2 C41 H54 N4 O6 InChI=1S/C41H54N4O6/c1-3-
    27(2)37-41(50)42-20-10-5-
    11-21-51-33-18-16-29(17-1
    9-33)23-35(40(49)44-37)43
    -26-32(46)24-31(22-28-12-
    6-4-7-13-28)39(48)45-38-3
    4-15-9-8-14-30(34)25-36(3
    8)47/h4,6-9,12-19,27,31-3
    2,35-38,43,46-47H,3,5,10-
    11,20-26H2,1-2H3,(H,42,50
    )(H,44,49)(H,45,48)/t27-,
    31+,32-,35-,36+,37-,38-/m
    0/s1;
    ZXUOAWXMXWTRGE-ZKQACQBYSA-N    		 CC[CH](C)[CH]1NC(=O)[CH](Cc2ccc(OCCCCCNC
    1=O)cc2)NC[CH](O)C[CH](Cc3ccccc3)C(=O)N[
    CH]4[CH](O)Cc5ccccc45; CC[C@H](C)[C@H]1C
    (=O)NCCCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[
    C@H](C[C@@H](Cc3ccccc3)C(=O)N[C@H]4c5ccc
    cc5C[C@H]4O)O; CC[C@H](C)[C@@H]1NC(=O)[C
    @H](Cc2ccc(OCCCCCNC1=O)cc2)NC[C@@H](O)C[
    C@@H](Cc3ccccc3)C(=O)N[C@@H]4[C@H](O)Cc5
    ccccc45; O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3
    )CC(O)CNC5C(=O)NC(C(=O)NCCCCCOc4ccc(cc4)
    C5)C(C)CC; CCC(C)C1C(=O)NCCCCCOc2ccc(cc2
    )CC(C(=O)N1)NCC(CC(Cc3ccccc3)C(=O)NC4c5c
    cccc5CC4O)O    		 N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE;
    MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 8
    32309
    PI9
    CHEMBL442738
    ZINC000029399681    		 2 C32 H48 N4 O6 S InChI=1S/C32H48N4O6S/c1-2
    2(2)17-18-36(43(40,41)27-
    15-11-25(33)12-16-27)21-2
    9(37)28-20-24-9-13-26(14-
    10-24)42-19-7-5-6-8-30(38
    )35-31(23(3)4)32(39)34-28
    /h9-16,22-23,28-29,31,37H
    ,5-8,17-21,33H2,1-4H3,(H,
    34,39)(H,35,38)/t28-,29+,
    31-/m0/s1;
    FBNSKSOTNMECSA-FLBADVGZSA-N    		 CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCCCC
    (=O)N[C@@H](C(C)C)C(=O)N1)cc2)[S](=O)(=O
    )c3ccc(N)cc3; CC(C)CCN(C[CH](O)[CH]1Cc2c
    cc(OCCCCCC(=O)N[CH](C(C)C)C(=O)N1)cc2)[S
    ](=O)(=O)c3ccc(N)cc3; CC(C)CC[N@@](C[C@H
    ]([C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@H](C(
    =O)N1)C(C)C)O)S(=O)(=O)c3ccc(cc3)N; O=S(
    =O)(c1ccc(N)cc1)N(CCC(C)C)CC(O)C3NC(=O)C
    (NC(=O)CCCCCOc2ccc(cc2)C3)C(C)C; CC(C)CC
    N(CC(C1Cc2ccc(cc2)OCCCCCC(=O)NC(C(=O)N1)
    C(C)C)O)S(=O)(=O)c3ccc(cc3)N    		 (10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE
    32310
    PIA
    ZINC000006929402    		 0 C14 H15 N3 O4 InChI=1S/C14H15N3O4/c1-8(
    15)13-16-11(14(21)17(13)7
    -12(19)20)6-9-2-4-10(18)5
    -3-9/h2-6,8,18H,7,15H2,1H
    3,(H,19,20)/b11-6-/t8-/m0
    /s1;
    UMPNJELZAAOGQG-OITNDJBGSA-N    		 O=C1C(\N=C(N1CC(=O)O)C(N)C)=C\c2ccc(O)cc
    2; CC(C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O
    )N; C[CH](N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1C
    C(O)=O; C[C@H](N)C1=N\C(=C/c2ccc(O)cc2)C
    (=O)N1CC(O)=O; C[C@@H](C1=N/C(=C\c2ccc(c
    c2)O)/C(=O)N1CC(=O)O)N    		 [(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
    32311
    PIB
    ZINC000015569120    		 9 C17 H32 O16 P2 InChI=1S/C17H32O16P2/c1-3
    -5-10(18)29-7-9(31-11(19)
    6-4-2)8-30-35(27,28)33-17
    -14(22)12(20)13(21)16(15(
    17)23)32-34(24,25)26/h9,1
    2-17,20-23H,3-8H2,1-2H3,(
    H,27,28)(H2,24,25,26)/t9-
    ,12-,13-,14+,15+,16+,17-/
    m0/s1;
    NKJZZWLREOAJGO-HODIZBBFSA-N    		 CCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)
    [CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O)O
    C(=O)CCC; CCCC(=O)OCC(COP(=O)(O)OC1C(C(C
    (C(C1O)OP(=O)(O)O)O)O)O)OC(=O)CCC; CCCC(
    =O)OC[C@@H](CO[P@](=O)(O)O[C@H]1[C@@H]([
    C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O
    )O)OC(=O)CCC; CCCC(=O)OC[C@@H](CO[P@@](O
    )(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@
    @H](O[P](O)(O)=O)[C@H]1O)OC(=O)CCC; O=C(
    OCC(OC(=O)CCC)COP(=O)(OC1C(O)C(O)C(O)C(O
    P(=O)(O)O)C1O)O)CCC    		 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE;
    D-MYO-PHOSPHATIDYLINOSITOL 3-PHOSPHATED (+)-SN-1,2-DI-O-BUTANOYLGLYCERYL,3-O-PHOSPHO
    32312
    PIC
    CHEMBL99447
    DB08397
    ZINC000002047327    		 1 C12 H9 F2 O5 P InChI=1S/C12H9F2O5P/c13-1
    2(14,20(17,18)19)10-4-3-7
    -5-9(11(15)16)2-1-8(7)6-1
    0/h1-6H,(H,15,16)(H2,17,1
    8,19);
    NKGNOWNPXBURRW-UHFFFAOYSA-N    		 FC(F)(c2ccc1c(ccc(c1)C(=O)O)c2)P(=O)(O)O
    ; c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O
    )O; OC(=O)c1ccc2cc(ccc2c1)C(F)(F)[P](O)(
    O)=O    		 6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID
    32313
    PID    		 198 C39 H50 O7 InChI=1S/C39H50O7/c1-26(1
    6-17-33-35(4,5)24-32(44-2
    8(3)40)25-37(33,8)43)14-1
    2-10-11-13-15-27(2)20-31-
    21-29(34(42)45-31)18-19-3
    9-36(6,7)22-30(41)23-38(3
    9,9)46-39/h10-16,18-21,30
    ,32,41,43H,22-25H2,1-9H3/
    b12-10+,13-11+,19-18+,26-
    14+,27-15+,31-20-/t17-,30
    -,32-,37+,38+,39-/m0/s1;
    UYRDHEJRPVSJFM-FROCQLDGSA-N    		 CC(=O)O[CH]1CC(C)(C)[C](=[C]=[CH]C(C)=CC
    =CC=CC=C(C)C=C2OC(=O)C(=C2)C=C[C]34O[C]3
    (C)C[CH](O)CC4(C)C)[C](C)(O)C1; CC(=CC=C
    C=CC=C(C)C=C1C=C(C(=O)O1)C=CC23C(CC(CC2(
    O3)C)O)(C)C)C=C=C4C(CC(CC4(C)O)OC(=O)C)(
    C)C; CC(=C\C=C\C=C\C=C(/C)\C=C/1\C=C(C(=
    O)O1)\C=C\[C@]23C(C[C@@H](C[C@]2(O3)C)O)
    (C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C
    )(C)C; O=C(OC4CC(\C(=C=C\C(=C\C=C\C=C\C=
    C(\C=C1/OC(=O)C(=C1)/C=C/C23OC3(C)CC(O)C
    C2(C)C)C)C)C(O)(C)C4)(C)C)C; CC(=O)O[C@H
    ]1CC(C)(C)[C](=[C@]=[CH]/C(C)=C/C=C/C=C/
    C=C(C)/C=C/2OC(=O)C(=C/2)/C=C/[C@@]34O[C
    @]3(C)C[C@@H](O)CC4(C)C)[C@](C)(O)C1    		 PERIDININ
    32314
    PIE
    DB02144    		 21 C43 H80 O13 P InChI=1S/C43H81O13P/c1-3-
    5-7-9-11-13-15-17-18-20-2
    2-24-26-28-30-32-37(45)55
    -35(34-54-57(51,52)56-43-
    41(49)39(47)38(46)40(48)4
    2(43)50)33-53-36(44)31-29
    -27-25-23-21-19-16-14-12-
    10-8-6-4-2/h17-18,35,38-4
    3,46-50H,3-16,19-34H2,1-2
    H3,(H,51,52)/p-1/b18-17+/
    t35-,38-,39-,40+,41-,42-,
    43-/m1/s1;
    PDLAMJKMOKWLAJ-OJERQSHOSA-M    		 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([
    O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)
    O)O)OC(=O)CCCCCCC\C=C\CCCCCCCC; CCCCCCCC
    CCCCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(
    C1O)O)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC; CC
    CCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O
    )O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](
    O)[C@H]1O)OC(=O)CCCCCCC\C=C\CCCCCCCC; O=
    C(OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COP([O-
    ])(=O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCC
    CCCC; CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([
    O-])(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](
    O)[CH]1O)OC(=O)CCCCCCCC=CCCCCCCCC    		 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL
    32315
    PIF
    ZINC000150339754    		 4 C25 H48 O16 P2 InChI=1S/C25H48O16P2/c1-3
    -5-7-9-11-13-18(26)37-15-
    17(39-19(27)14-12-10-8-6-
    4-2)16-38-43(35,36)41-25-
    22(30)20(28)24(21(29)23(2
    5)31)40-42(32,33)34/h17,2
    0-25,28-31H,3-16H2,1-2H3,
    (H,35,36)(H2,32,33,34)/t1
    7-,20-,21+,22-,23-,24+,25
    +/m1/s1;
    SNIQYSSXZJPPEL-LKTRINTESA-N    		 CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@
    H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)
    O)OC(=O)CCCCCCC; CCCCCCCC(=O)OC[C@H](CO[
    P](O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](
    O[P](O)(O)=O)[C@H](O)[C@H]1O)OC(=O)CCCCC
    CC; O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C
    (O)C(O)C(OP(=O)(O)O)C(O)C1O)CCCCCCC; CCC
    CCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)
    OP(=O)(O)O)O)O)OC(=O)CCCCCCC; CCCCCCCC(=
    O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O
    )[CH](O[P](O)(O)=O)[CH](O)[CH]1O)OC(=O)C
    CCCCCC    		 (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate;
    L-ALPHA-D-MYOPHOSPHATIDYLINOSITOL 4-PHOSPHATE;
    D(+)SN1,2DI-O-OCTANOYLGLYCERYL
    32316
    PIG    		 0 C6 H14 O4 InChI=1/C6H14O4/c7-1-3-9-
    5-6-10-4-2-8/h7-8H,1-6H2;
    ZIBGPFATKBEMQZ-UHFFFAOYAS    		 C(COCCOCCO)O; OCCOCCOCCO 2-[2-(2-HYDROXY-ETHOXY)-ETHOXY]-ETHANOL
    32317
    PIH
    CHEMBL116296
    DB02252
    ZINC000001699878    		 5 C6 H5 I InChI=1S/C6H5I/c7-6-4-2-1
    -3-5-6/h1-5H;
    SNHMUERNLJLMHN-UHFFFAOYSA-N    		 Ic1ccccc1; c1ccc(cc1)I iodobenzene
    32318
    PII
    ZINC000150344098    		 3 C42 H81 O13 P InChI=1S/C42H81O13P/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-31-36(44)54-34
    (33-53-56(50,51)55-42-40(
    48)38(46)37(45)39(47)41(4
    2)49)32-52-35(43)30-28-26
    -24-22-20-18-16-14-12-10-
    8-6-4-2/h34,37-42,45-49H,
    3-33H2,1-2H3,(H,50,51)/t3
    4-,37-,38-,39+,40-,41-,42
    -/m1/s1;
    QVAGJHIIXLLVCI-KSGPIMHQSA-N    		 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC
    CCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O;
    CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC
    CCCCCCCCCCC)CO[P@](O)(=O)O[C@@H]1[C@H](O
    )[C@H](O)[C@@H](O)[C@H](O)[C@H]1O; O=C(O
    CC(OC(=O)CCCCCCCCCCCCCCCC)COP(=O)(OC1C(O
    )C(O)C(O)C(O)C1O)O)CCCCCCCCCCCCCCC; CCCC
    CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC
    CCCCCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C(
    [C@@H]([C@H]1O)O)O)O)O; CCCCCCCCCCCCCCCC
    C(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC)CO[P](
    O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)
    [CH]1O    		 2-[(HYDROXY{[(2R,3R,5S,6R)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL]OXY}PHOSPHORYL)OXY]-1-[(PALMITOYLOXY)METHYL]ETHYL HEPTADECANOATE
    32319
    PIK
    ZINC000150339449    		 9 C41 H81 O19 P3 InChI=1S/C41H81O19P3/c1-3
    -5-7-9-11-13-15-17-19-21-
    23-25-27-29-34(42)55-31-3
    3(57-35(43)30-28-26-24-22
    -20-18-16-14-12-10-8-6-4-
    2)32-56-63(53,54)60-39-36
    (44)37(45)40(58-61(47,48)
    49)41(38(39)46)59-62(50,5
    1)52/h33,36-41,44-46H,3-3
    2H2,1-2H3,(H,53,54)(H2,47
    ,48,49)(H2,50,51,52)/t33-
    ,36+,37-,38-,39+,40+,41+/
    m0/s1;
    HKWJHKSHEWVOSS-MVLQGUJPSA-N    		 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C
    (C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O
    )CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC
    [C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([
    C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)
    O)O)O)OC(=O)CCCCCCCCCCCCCCC; O=C(OCC(OC(
    =O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)
    C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCCCCC
    CCCCC; CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P
    ](O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O
    [P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O)O
    C(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=
    O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O
    )[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH
    ]1O)OC(=O)CCCCCCCCCCCCCCC    		 (2S)-3-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate;
    PI(4,5)P2 dipalmitoyl (16:0,16:0)
    32320
    PIL
    CHEMBL42126
    DB01791
    ZINC000000598965    		 6 C18 H18 Cl2 N2 O3 InChI=1S/C18H18Cl2N2O3/c1
    -24-15-7-6-11(8-16(15)25-
    12-4-2-3-5-12)18(23)22-17
    -13(19)9-21-10-14(17)20/h
    6-10,12H,2-5H2,1H3,(H,21,
    22,23);
    RRRUXBQSQLKHEL-UHFFFAOYSA-N    		 COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(cncc3Cl)Cl
    ; Clc3c(NC(=O)c2ccc(OC)c(OC1CCCC1)c2)c(C
    l)cnc3; COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(Cl
    )cncc3Cl    		 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-METHOXYBENZAMIDE;
    PICLAMILAST
    32321
    PIM
    CHEMBL14145
    DB03254
    ZINC000004692811    		 22 C9 H8 N2 InChI=1S/C9H8N2/c1-2-4-8(
    5-3-1)9-6-10-7-11-9/h1-7H
    ,(H,10,11);
    XHLKOHSAWQPOFO-UHFFFAOYSA-N    		 c1ccc(cc1)c2cnc[nH]2; n2cc(c1ccccc1)nc2;
    [nH]1cncc1c2ccccc2    		 4-PHENYL-1H-IMIDAZOLE
    32322
    PIN
    ZINC000019364835    		 42 C8 H18 N2 O6 S2 InChI=1S/C8H18N2O6S2/c11-
    17(12,13)7-5-9-1-2-10(4-3
    -9)6-8-18(14,15)16/h1-8H2
    ,(H,11,12,13)(H,14,15,16);
    IHPYMWDTONKSCO-UHFFFAOYSA-N    		 O=S(=O)(O)CCN1CCN(CCS(=O)(=O)O)CC1; C1CN
    (CCN1CCS(=O)(=O)O)CCS(=O)(=O)O; O[S](=O)
    (=O)CCN1CCN(CC1)CC[S](O)(=O)=O    		 PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID);
    PIPES;
    1,4-PIPERAZINEDIETHANESULFONIC ACID
    32323
    PIO
    ZINC000097972490    		 392 C25 H49 O19 P3 InChI=1S/C25H49O19P3/c1-3
    -5-7-9-11-13-18(26)39-15-
    17(41-19(27)14-12-10-8-6-
    4-2)16-40-47(37,38)44-23-
    20(28)21(29)24(42-45(31,3
    2)33)25(22(23)30)43-46(34
    ,35)36/h17,20-25,28-30H,3
    -16H2,1-2H3,(H,37,38)(H2,
    31,32,33)(H2,34,35,36)/t1
    7-,20-,21+,22+,23-,24-,25
    -/m1/s1;
    XLNCEHRXXWQMPK-MJUMVPIBSA-N    		 CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[C@@H]1
    [C@H](O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H
    ](O[P](O)(O)=O)[C@H]1O)OC(=O)CCCCCCC; CC
    CCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](
    O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(
    O)=O)[CH]1O)OC(=O)CCCCCCC; CCCCCCCC(=O)O
    CC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)O
    P(=O)(O)O)O)O)OC(=O)CCCCCCC; CCCCCCCC(=O
    )OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]
    ([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(
    O)O)O)O)OC(=O)CCCCCCC; O=C(OCC(OC(=O)CCC
    CCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C
    (OP(=O)(O)O)C1O)CCCCCCC    		 [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate;
    dioctanoyl l-alpha-phosphatidyl-d-myo-inositol 4,5-diphosphate
    32324
    PIP
    CHEMBL15487
    ZINC000001529277    		 0 C5 H11 N InChI=1S/C5H11N/c1-2-4-6-
    5-3-1/h6H,1-5H2;
    NQRYJNQNLNOLGT-UHFFFAOYSA-N    		 N1CCCCC1; C1CCNCC1 PIPERIDINE
    32325
    PIQ
    CHEMBL1213271
    DB08398
    ZINC000001850101    		 2 C13 H12 N4 InChI=1S/C13H12N4/c1-17-1
    1-7-10(9-5-3-2-4-6-9)8-15
    -12(11)16-13(17)14/h2-8H,
    1H3,(H2,14,15,16);
    UQVKZNNCIHJZLS-UHFFFAOYSA-N    		 Cn1c2cc(cnc2nc1N)c3ccccc3; Cn1c(N)nc2ncc
    (cc12)c3ccccc3; n1cc(cc2c1nc(n2C)N)c3ccc
    cc3    		 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE
    32326
    PIR
    ZINC000005933433    		 4 C11 H16 N2 O3 InChI=1S/C11H16N2O3/c12-7
    -3-1-6(2-4-7)9-11(16)10(1
    5)8(5-14)13-9/h1-4,8-11,1
    3-16H,5,12H2/t8-,9+,10-,1
    1+/m1/s1;
    SQENVZNKXLCDLF-YTWAJWBKSA-N    		 c1cc(ccc1C2C(C(C(N2)CO)O)O)N; c1cc(ccc1[
    C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N; Nc
    1ccc(cc1)[C@@H]2N[C@H](CO)[C@@H](O)[C@H]
    2O; Nc1ccc(cc1)[CH]2N[CH](CO)[CH](O)[CH]
    2O; OC2C(c1ccc(N)cc1)NC(CO)C2O    		 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL
    32327
    PIS
    DB02423    		 30 H3 O6 P2 S InChI=1S/H4O6P2S/c1-7(2,3
    )6-8(4,5)9/h(H2,1,2,3)(H2
    ,4,5,9)/p-1;
    HWTUHTNZLQJJEV-UHFFFAOYSA-M    		 OP(=O)(O)O[P@](=O)(O)[S-]; OP(=O)(O)OP(=
    O)(O)[S-]; O[P](O)(=O)O[P@](O)([S-])=O;
    O[P](O)(=O)O[P](O)([S-])=O; [S-]P(=O)(O)
    OP(=O)(O)O    		 TRIHYDROGEN THIODIPHOSPHATE;
    THIOPYROPHOSPHATE
    32328
    PIT
    CHEMBL69863
    DB08399
    ZINC000000014036    		 40 C14 H12 O4 InChI=1S/C14H12O4/c15-11-
    5-10(6-12(16)8-11)2-1-9-3
    -4-13(17)14(18)7-9/h1-8,1
    5-18H/b2-1+;
    CDRPUGZCRXZLFL-OWOJBTEDSA-N    		 Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1; c1cc(
    c(cc1C=Cc2cc(cc(c2)O)O)O)O; c1cc(c(cc1\C
    =C\c2cc(cc(c2)O)O)O)O; Oc1cc(O)cc(C=Cc2c
    cc(O)c(O)c2)c1; Oc2ccc(\C=C\c1cc(O)cc(O)
    c1)cc2O    		 PICEATANNOL;
    4-[(E)-2-(3,5-DIHYDROXYPHENYL)ETHENYL]BENZENE-1,2-DIOL
    32329
    PIU
    CHEMBL1184499
    DB04763
    ZINC000012504500    		 1 C16 H21 N2 O2 S InChI=1S/C16H21N2O2S/c1-1
    2-10-13(2)18(14(3)11-12)9
    -8-15-4-6-16(7-5-15)21(17
    ,19)20/h4-7,10-11H,8-9H2,
    1-3H3,(H2,17,19,20)/q+1;
    UXBCHTZINZNVRG-UHFFFAOYSA-N    		 Cc1cc(C)[n+](CCc2ccc(cc2)[S](N)(=O)=O)c(
    C)c1; O=S(=O)(N)c1ccc(cc1)CC[n+]2c(cc(cc
    2C)C)C; Cc1cc([n+](c(c1)C)CCc2ccc(cc2)S(
    =O)(=O)N)C    		 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM;
    1-N-(4-SULFAMOYLPHENYL-ETHYL)-2,4,6-TRIMETHYLPYRIDINIUM
    32330
    PIV
    CHEMBL322719
    ZINC000000007993    		 2 C5 H10 O2 InChI=1S/C5H10O2/c1-5(2,3
    )4(6)7/h1-3H3,(H,6,7);
    IUGYQRQAERSCNH-UHFFFAOYSA-N    		 CC(C)(C)C(O)=O; CC(C)(C)C(=O)O; O=C(O)C(
    C)(C)C    		 PIVALIC ACID
    32331
    PIW
    CHEMBL275066
    ZINC000000160340    		 4 C9 H8 N2 InChI=1S/C9H8N2/c1-2-4-9(
    5-3-1)11-7-6-10-8-11/h1-8
    H;
    SEULWJSKCVACTH-UHFFFAOYSA-N    		 c1ccc(cc1)n2ccnc2; n2ccn(c1ccccc1)c2 1-phenyl-1H-imidazole
    32332
    PIX
    DB08400
    ZINC000038996622    		 4 C19 H19 F3 N2 O3 InChI=1S/C19H19F3N2O3/c20
    -19(21,22)15-4-5-17(23-12
    -15)27-16-3-1-2-14(11-16)
    10-13-6-8-24(9-7-13)18(25
    )26/h1-5,11-13H,6-10H2,(H
    ,25,26);
    KUEKMTNOUPAOBS-UHFFFAOYSA-N    		 FC(F)(F)c1ccc(nc1)Oc2cccc(c2)CC3CCN(C(=O
    )O)CC3; c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)C
    C3CCN(CC3)C(=O)O; OC(=O)N1CCC(CC1)Cc2ccc
    c(Oc3ccc(cn3)C(F)(F)F)c2    		 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid
    32333
    PIY
    CHEMBL14189
    ZINC000000333848    		 4 C9 H8 N2 InChI=1S/C9H8N2/c1-2-4-8(
    5-3-1)9-10-6-7-11-9/h1-7H
    ,(H,10,11);
    ZCUJYXPAKHMBAZ-UHFFFAOYSA-N    		 c1ccc(cc1)c2[nH]ccn2; n1ccnc1c2ccccc2; [
    nH]1ccnc1c2ccccc2    		 2-phenyl-1H-imidazole
    32334
    PIZ    		 2 C41 H82 O22 P4 InChI=1S/C41H82O22P4/c1-3
    -5-7-9-11-13-15-17-19-21-
    23-25-27-29-34(42)57-31-3
    3(59-35(43)30-28-26-24-22
    -20-18-16-14-12-10-8-6-4-
    2)32-58-67(55,56)63-38-36
    (44)39(60-64(46,47)48)41(
    62-66(52,53)54)40(37(38)4
    5)61-65(49,50)51/h33,36-4
    1,44-45H,3-32H2,1-2H3,(H,
    55,56)(H2,46,47,48)(H2,49
    ,50,51)(H2,52,53,54)/t33-
    ,36-,37-,38-,39+,40-,41-/
    m0/s1;
    ZSZXYWFCIKKZBT-XMZWCAJNSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O
    [CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](
    O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)C
    CCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OCC(
    COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=
    O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCC
    C; CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P](O)
    (=O)O[C@@H]1[C@H](O)[C@H](O[P](O)(O)=O)[
    C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C
    @H]1O)OC(=O)CCCCCCCCCCCCCCC; O=C(OCC(OC(
    =O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(OP
    (=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)C
    CCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC[C
    @@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([
    C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)
    O)OC(=O)CCCCCCCCCCCCCCC    		 (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate;
    PI(3,4,5)P3 dipalmitoyl (16:0, 16:0)
    32335
    PJ0
    CHEMBL5186479
    ZINC000022628281    		 1 C9 H9 N3 InChI=1S/C9H9N3/c1-6-5-8-
    7(12-9(6)10)3-2-4-11-8/h2
    -5H,1H3,(H2,10,12);
    QRLYUZQZBLJANT-UHFFFAOYSA-N    		 Cc1cc2ncccc2nc1N; Cc1cc2c(cccn2)nc1N 3-methyl-1,5-naphthyridin-2-amine
    32336
    PJ1    		 1 C13 H16 Cl N3 O InChI=1S/C13H16ClN3O/c1-1
    6(12-4-2-11(14)3-5-12)8-1
    3(18)9-17-7-6-15-10-17/h2
    -7,10,13,18H,8-9H2,1H3/t1
    3-/m1/s1;
    KGEMWOTUFKRWDE-CYBMUJFWSA-N    		 CN(CC(Cn1ccnc1)O)c2ccc(cc2)Cl; CN(C[C@@H
    ](O)Cn1ccnc1)c2ccc(Cl)cc2; CN(C[C@H](Cn1
    ccnc1)O)c2ccc(cc2)Cl; CN(C[CH](O)Cn1ccnc
    1)c2ccc(Cl)cc2; c1(ccc(cc1)Cl)N(CC(Cn2cc
    nc2)O)C    		 (2R)-1-[(4-chlorophenyl)(methyl)amino]-3-(1H-imidazol-1-yl)propan-2-ol
    32337
    PJ2
    ZINC000100612358    		 3 C20 H30 O4 InChI=1S/C20H30O4/c1-2-3-
    6-10-17(21)13-14-18-16(12
    -15-19(18)22)9-7-4-5-8-11
    -20(23)24/h4,7,12,14-17,2
    1H,2-3,5-6,8-11,13H2,1H3,
    (H,23,24)/b7-4-,18-14-/t1
    6-,17-/m0/s1;
    TUXFWOHFPFBNEJ-WHYHPIPXSA-N    		 CCCCC[C@H](O)C\C=C/1[C@@H](C\C=C/CCCC(O)
    =O)C=CC/1=O; CCCCCC(CC=C1C(C=CC1=O)CC=CC
    CCC(=O)O)O; CCCCC[C@@H](C/C=C\1/[C@H](C=
    CC1=O)C/C=C\CCCC(=O)O)O; CCCCC[CH](O)CC=
    C1[CH](CC=CCCCC(O)=O)C=CC1=O; O=C(O)CCC/
    C=C\CC1C=CC(=O)\C1=C/CC(O)CCCCC    		 (5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid;
    delta12-prostaglandine J2
    32338
    PJ3    		 0 C17 H25 N8 O9 P InChI=1S/C17H25N8O9P/c1-2
    3-6-25(13-10(23)14(28)22-
    17(19)21-13)15-12(27)11(2
    6)9(34-15)4-33-35(31,32)2
    4-3-7(20-5-24)2-8(18)16(2
    9)30/h3,5,8-9,11-12,15,26
    -27H,2,4,6,18H2,1H3,(H,29
    ,30)(H,31,32)(H3,19,21,22
    ,28)/t8-,9+,11+,12+,15+/m
    0/s1;
    GHFKLICNYXEREV-OPYVMVOTSA-N    		 CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C
    @@H]([C@H](O3)COP(=O)(n4cc(nc4)C[C@@H](C
    (=O)O)N)O)O)O; CN1CN([C@@H]2O[C@H](CO[P]
    (O)(=O)n3cnc(C[C@H](N)C(O)=O)c3)[C@@H](O
    )[C@H]2O)C4=C1C(=O)NC(=N4)N; CN1CN(C2=C1
    C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(n4cc(nc
    4)CC(C(=O)O)N)O)O)O; CN1CN([CH]2O[CH](CO
    [P](O)(=O)n3cnc(C[CH](N)C(O)=O)c3)[CH](O
    )[CH]2O)C4=C1C(=O)NC(=N4)N    		 (2~{S})-2-azanyl-3-[1-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-4-yl]propanoic acid;
    7GMP capped histidine
    32339
    PJ4    		 1 C14 H18 Cl N3 InChI=1S/C14H18ClN3/c1-17
    -6-8-18(9-7-17)14-12-5-3-
    2-4-11(12)10-13(15)16-14/
    h2-5,14H,6-10H2,1H3;
    CNZUDFLBFGHIKZ-UHFFFAOYSA-N    		 CN1CCN(CC1)C2c3ccccc3CC(=N2)Cl; c12C(N=C
    (Cl)Cc1cccc2)N3CCN(CC3)C; CN1CCN(CC1)[CH
    ]2N=C(Cl)Cc3ccccc23; CN1CCN(CC1)[C@H]2N=
    C(Cl)Cc3ccccc23    		 (1S)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline
    32340
    PJ5    		 1 C6 H12 O4 InChI=1S/C6H12O4/c7-2-3-1
    -4(8)6(10)5(3)9/h3-10H,1-
    2H2/t3-,4-,5-,6-/m0/s1;
    PHKHGSSZAJVEQK-BXKVDMCESA-N    		 OC[CH]1C[CH](O)[CH](O)[CH]1O; C1C(C(C(C1
    O)O)O)CO; C1[C@H]([C@@H]([C@H]([C@H]1O)O
    )O)CO; OC[C@@H]1C[C@H](O)[C@H](O)[C@H]1O    		 (1~{S},2~{S},3~{S},4~{S})-4-(hydroxymethyl)cyclopentane-1,2,3-triol
    32341
    PJ6    		 5 C20 H17 Cl N2 O3 InChI=1S/C20H17ClN2O3/c1-
    25-20(8-9-26-18-7-6-14(21
    )10-16(18)20)19(24)23-17-
    12-22-11-13-4-2-3-5-15(13
    )17/h2-7,10-12H,8-9H2,1H3
    ,(H,23,24)/t20-/m0/s1;
    FRAUGLSYTUOOAF-FQEVSTJZSA-N    		 Clc1ccc2OCCC(OC)(c2c1)C(=O)Nc1cncc2ccccc
    21; CO[C@]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cnc
    c4ccccc34; CO[C]1(CCOc2ccc(Cl)cc12)C(=O)
    Nc3cncc4ccccc34; COC1(CCOc2c1cc(cc2)Cl)C
    (=O)Nc3cncc4c3cccc4; CO[C@]1(CCOc2c1cc(c
    c2)Cl)C(=O)Nc3cncc4c3cccc4    		 (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    32342
    PJ7    		 2 C5 H5 N O3 InChI=1S/C5H5NO3/c6-3-1-4
    (5(7)8)9-2-3/h1-2H,6H2,(H
    ,7,8);
    JZMYAVSMLZDPMH-UHFFFAOYSA-N    		 O=C(O)c1occ(N)c1; c1c(coc1C(=O)O)N; Nc1c
    oc(c1)C(O)=O    		 4-aminofuran-2-carboxylic acid
    32343
    PJ8
    CHEMBL3185332
    ZINC000008217397    		 2 C17 H36 InChI=1S/C17H36/c1-3-5-7-
    9-11-13-15-17-16-14-12-10
    -8-6-4-2/h3-17H2,1-2H3;
    NDJKXXJCMXVBJW-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCCC heptadecane
    32344
    PJA
    CHEMBL176570
    ZINC000001598047    		 1 C18 H14 O8 InChI=1S/C18H14O8/c1-7-4-
    11(20)10(6-19)15-13(7)18(
    23)26-14-8(2)12(24-3)5-9(
    17(21)22)16(14)25-15/h4-6
    ,20H,1-3H3,(H,21,22);
    FUCWJKJZOHOLEO-UHFFFAOYSA-N    		 O=C(O)c1c2Oc3c(C(=O)Oc2c(c(OC)c1)C)c(cc(
    O)c3C=O)C; COc1cc(C(O)=O)c2Oc3c(C=O)c(O)
    cc(C)c3C(=O)Oc2c1C; Cc1cc(c(c2c1C(=O)Oc3
    c(c(cc(c3O2)C(=O)O)OC)C)C=O)O    		 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid;
    Psoromic acid
    32345
    PJB    		 1 C17 H16 N4 O4 S InChI=1S/C17H16N4O4S/c1-2
    5-11-6-7-14(22)13(8-11)15
    -19-20-17(26)21(15)18-9-1
    0-4-2-3-5-12(10)16(23)24/
    h2-8,18,22H,9H2,1H3,(H,20
    ,26)(H,23,24);
    OLMZFBBODPIUOT-UHFFFAOYSA-N    		 COc1ccc(c(c1)C2=NNC(=S)N2NCc3ccccc3C(=O)
    O)O; COc1ccc(O)c(c1)C2=NNC(=S)N2NCc3cccc
    c3C(O)=O    		 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid
    32346
    PJC
    CHEMBL1235315
    ZINC000058650199    		 1 C22 H16 F3 N5 O3 InChI=1S/C22H16F3N5O3/c23
    -22(24,25)14-10-27-21(30-
    7-5-11(31)6-8-30)28-18(14
    )17-16(19(32)29-20(17)33)
    13-9-26-15-4-2-1-3-12(13)
    15/h1-4,9-10,26H,5-8H2,(H
    ,29,32,33);
    MYIILBMNTUDZDH-UHFFFAOYSA-N    		 c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4c(
    cnc(n4)N5CCC(=O)CC5)C(F)(F)F; FC(F)(F)c1
    cnc(nc1C2=C(C(=O)NC2=O)c3c[nH]c4ccccc34)
    N5CCC(=O)CC5    		 3-(1H-indol-3-yl)-4-[2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrole-2,5-dione
    32347
    PJD
    ZINC000000138587    		 1 C8 H8 Cl2 O2 S InChI=1S/C8H8Cl2O2S/c1-13
    (11,12)5-6-7(9)3-2-4-8(6)
    10/h2-4H,5H2,1H3;
    YQGFLUVOLNGRET-UHFFFAOYSA-N    		 c1(c(cccc1Cl)Cl)CS(C)(=O)=O; CS(=O)(=O)C
    c1c(cccc1Cl)Cl; C[S](=O)(=O)Cc1c(Cl)cccc
    1Cl    		 1,3-dichloro-2-[(methylsulfonyl)methyl]benzene
    32348
    PJE
    ZINC000146379090    		 0 C9 H14 N2 O3 InChI=1S/C9H14N2O3/c10-7(
    1-2-8(12)13)5-6-3-4-11-9(
    6)14/h1-2,6-7H,3-5,10H2,(
    H,11,14)(H,12,13)/b2-1+/t
    6-,7+/m0/s1;
    DGQBDXFRBIXHDR-FJZRIBRESA-N    		 N[C@@H](C[C@@H]1CCNC1=O)/C=C/C(O)=O; N[C
    H](C[CH]1CCNC1=O)C=CC(O)=O; C1CNC(=O)C1C
    C(C=CC(=O)O)N; C1CNC(=O)[C@@H]1C[C@@H](/
    C=C/C(=O)O)N    		 (E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid
    32349
    PJF
    CHEMBL5290620    		 14 C24 H22 Cl N5 O InChI=1S/C24H22ClN5O/c25-
    20-6-4-17(5-7-20)15-30-23
    (31)21-16-28(14-19-3-1-2-
    18(12-19)13-26)10-8-22(21
    )29-11-9-27-24(29)30/h1-7
    ,12H,8-11,14-16H2;
    QFVFQQBTVHHWBZ-UHFFFAOYSA-N    		 Clc1ccc(CN2C(=O)C3=C(CCN(Cc4cccc(c4)C#N)
    C3)N5CCN=C25)cc1; c1cc(cc(c1)C#N)CN2CCC3
    =C(C2)C(=O)N(C4=NCCN34)Cc5ccc(cc5)Cl; Cl
    c1ccc(cc1)CN1C2=NCCN2C=2CCN(Cc3cccc(C#N)
    c3)CC=2C1=O    		 3-{[(10R)-4-[(4-chlorophenyl)methyl]-5-oxo-1,2,4,5,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]methyl}benzonitrile
    32350
    PJG    		 0 C12 H22 N2 InChI=1S/C12H22N2/c13-1-2
    -14-12-6-9-3-10(7-12)5-11
    (4-9)8-12/h9-11,14H,1-8,1
    3H2/t9-,10+,11-,12-;
    IQMUFNISQFPZJC-CDECOKDKSA-N    		 NCCNC12CC3CC(CC(C3)C1)C2; C1C2CC3CC1CC(C
    2)(C3)NCCN; C13(CC2CC(CC(C1)C2)C3)NCCN    		 N~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine
    32351
    PJH
    CHEMBL11978
    DB08840
    ZINC000000404444    		 2 C7 H8 N2 O InChI=1S/C7H8N2O/c1-8-7(1
    0)6-3-2-4-9-5-6/h2-5H,1H3
    ,(H,8,10);
    ZYVXHFWBYUDDBM-UHFFFAOYSA-N    		 CNC(=O)c1cccnc1 ~{N}-methylpyridine-3-carboxamide
    32352
    PJI    		 1 C40 H57 Cl N3 O3 InChI=1S/C40H56ClN3O3/c1-
    39(2)32-18-10-12-20-34(32
    )43(5)36(39)22-17-23-37-4
    0(3,4)33-19-11-13-21-35(3
    3)44(37)27-15-8-9-24-38(4
    5)42-26-29-47-31-30-46-28
    -16-7-6-14-25-41/h10-13,1
    7-23H,6-9,14-16,24-31H2,1
    -5H3/p+1;
    PMDIAZIQXAWRGJ-UHFFFAOYSA-O    		 CC1(c2ccccc2[N+](=C1C=CC=C3C(c4ccccc4N3C
    )(C)C)CCCCCC(=O)NCCOCCOCCCCCCCl)C; CN\1c
    2ccccc2C(C)(C)C\1=C\C=C\C3=[N+](CCCCCC(=
    O)NCCOCCOCCCCCCCl)c4ccccc4C3(C)C; CN1c2c
    cccc2C(C)(C)C1=CC=CC3=[N+](CCCCCC(=O)NCC
    OCCOCCCCCCCl)c4ccccc4C3(C)C; CC1(c2ccccc
    2[N+](=C1/C=C/C=C3C(c4ccccc4N3C)(C)C)CCC
    CCC(=O)NCCOCCOCCCCCCCl)C    		 ~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-6-[3,3-dimethyl-2-[(~{E})-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]indol-1-ium-1-yl]hexanamide
    32353
    PJJ
    ZINC000098209304    		 0 C19 H23 N O3 InChI=1S/C19H23NO3/c20-17
    (12-15-9-5-2-6-10-15)18(2
    1)13-16(19(22)23)11-14-7-
    3-1-4-8-14/h1-10,16-18,21
    H,11-13,20H2,(H,22,23)/t1
    6-,17+,18+/m1/s1;
    FXTZKZFWIYSHRP-SQNIBIBYSA-N    		 c1ccc(cc1)CC(CC(C(Cc2ccccc2)N)O)C(=O)O;
    O=C(O)C(Cc1ccccc1)CC(O)C(N)Cc2ccccc2; N[
    C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc2cccc
    c2)C(O)=O; c1ccc(cc1)C[C@H](C[C@@H]([C@H
    ](Cc2ccccc2)N)O)C(=O)O; N[CH](Cc1ccccc1)
    [CH](O)C[CH](Cc2ccccc2)C(O)=O    		 (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid
    32354
    PJK
    CHEMBL4637220    		 1 C12 H11 Cl F3 N O2 InChI=1S/C12H11ClF3NO2/c1
    3-10-2-1-8(5-9(10)12(14,1
    5)16)17-4-3-7(6-17)11(18)
    19/h1-2,5,7H,3-4,6H2,(H,1
    8,19)/t7-/m0/s1;
    XTYYFZCQCKEYKG-ZETCQYMHSA-N    		 c1cc(c(cc1N2CCC(C2)C(=O)O)C(F)(F)F)Cl; O
    C(=O)[CH]1CCN(C1)c2ccc(Cl)c(c2)C(F)(F)F;
    OC(=O)[C@H]1CCN(C1)c2ccc(Cl)c(c2)C(F)(F
    )F; c1cc(c(cc1N2CC[C@@H](C2)C(=O)O)C(F)(
    F)F)Cl    		 (3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
    32355
    PJL    		 2 C6 H7 N O4 InChI=1S/C6H7NO4/c8-4-2-5
    (9)7-3-1-6(10)11/h2-4,8H,
    1H2,(H,10,11)/b4-2+,7-3+;
    FVWUPCWGBLBUEE-JKEDICHKSA-N    		 C(/C=N/C(=O)/C=C/O)C(=O)O; O\C=C\C(=O)N=
    CCC(O)=O; C(C=NC(=O)C=CO)C(=O)O; OC=CC(=
    O)N=CCC(O)=O    		 (3~{E})-3-[(~{E})-3-oxidanylprop-2-enoyl]iminopropanoic acid
    32356
    PJM
    CHEMBL4522116    		 2 C36 H23 Cl F3 N7 O2 InChI=1S/C36H23ClF3N7O2/c
    37-30-16-24(21-5-8-27(38)
    9-6-21)7-10-29(30)32(18-4
    7-12-11-41-20-47)44-34(48
    )22-1-3-23(4-2-22)35-45-4
    6-36(49-35)26-13-25(14-28
    (39)15-26)33-31(40)17-42-
    19-43-33/h1-17,19-20,32H,
    18H2,(H,44,48)/t32-/m0/s1;
    ZSDQWZVUVIKSDR-YTTGMZPUSA-N    		 Fc1ccc(cc1)c2ccc([CH](Cn3ccnc3)NC(=O)c4c
    cc(cc4)c5oc(nn5)c6cc(F)cc(c6)c7ncncc7F)c
    (Cl)c2; c1(ncncc1F)c2cc(F)cc(c2)c3oc(nn3
    )c4ccc(cc4)C(=O)NC(Cn5ccnc5)c6c(Cl)cc(cc
    6)c7ccc(F)cc7; c1cc(ccc1c2nnc(o2)c3cc(cc
    (c3)F)c4c(cncn4)F)C(=O)N[C@@H](Cn5ccnc5)
    c6ccc(cc6Cl)c7ccc(cc7)F; c1cc(ccc1c2nnc(
    o2)c3cc(cc(c3)F)c4c(cncn4)F)C(=O)NC(Cn5c
    cnc5)c6ccc(cc6Cl)c7ccc(cc7)F; Fc1ccc(cc1
    )c2ccc([C@H](Cn3ccnc3)NC(=O)c4ccc(cc4)c5
    oc(nn5)c6cc(F)cc(c6)c7ncncc7F)c(Cl)c2    		 N-[(1R)-1-(3-chloro-4'-fluoro[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide
    32357
    PJN    		 1 C23 H16 N2 O6 InChI=1S/C23H16N2O6/c26-1
    8-9-5-4-8-17(18)24-20(14-
    10-12-16(13-11-14)25(30)3
    1)19(22(28)23(24)29)21(27
    )15-6-2-1-3-7-15/h1-13,20
    ,26,28H/t20-/m1/s1;
    UQZFYWKUHIJIEJ-HXUWFJFHSA-N    		 Oc1ccccc1N2[C@H](c3ccc(cc3)[N](=O)=O)C(=
    C(O)C2=O)C(=O)c4ccccc4; c1ccc(cc1)C(=O)C
    2=C(C(=O)N(C2c3ccc(cc3)N(=O)=O)c4ccccc4O
    )O; Oc1ccccc1N2[CH](c3ccc(cc3)[N](=O)=O)
    C(=C(O)C2=O)C(=O)c4ccccc4; c1ccc(cc1)C(=
    O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)N(=O)=O)c
    4ccccc4O)O    		 (2~{R})-1-(2-hydroxyphenyl)-2-(4-nitrophenyl)-4-oxidanyl-3-(phenylcarbonyl)-2~{H}-pyrrol-5-one
    32358
    PJO
    CHEMBL232201
    DB13277
    ZINC000003875456    		 2 C17 H12 I2 O3 InChI=1S/C17H12I2O3/c1-2-
    13-15(10-5-3-4-6-14(10)22
    -13)16(20)9-7-11(18)17(21
    )12(19)8-9/h3-8,21H,2H2,1
    H3;
    CZCHIEJNWPNBDE-UHFFFAOYSA-N    		 CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)O)I;
    CCc1oc2ccccc2c1C(=O)c3cc(I)c(O)c(I)c3    		 Benziodarone;
    Amplivix;
    Dilafurane
    32359
    PJP
    ZINC000000028303    		 1 C11 H17 N O2 S InChI=1S/C11H17NO2S/c1-4-
    12(5-2)15(13,14)11-8-6-10
    (3)7-9-11/h6-9H,4-5H2,1-3
    H3;
    AOJBACHWNDMRQP-UHFFFAOYSA-N    		 CCN(CC)S(=O)(=O)c1ccc(cc1)C; CCN(CC)[S](
    =O)(=O)c1ccc(C)cc1; CCN(CC)S(c1ccc(cc1)C
    )(=O)=O    		 N,N-diethyl-4-methylbenzene-1-sulfonamide
    32360
    PJQ
    CHEMBL4466522    		 4 C23 H20 Cl F3 N4 O5 InChI=1S/C23H20ClF3N4O5/c
    1-29-19-18(20(33)30(22(29
    )34)10-3-11-32)31(13-14-6
    -8-15(24)9-7-14)21(28-19)
    35-16-4-2-5-17(12-16)36-2
    3(25,26)27/h2,4-9,12,32H,
    3,10-11,13H2,1H3;
    PRJHEJGMSOBHTO-UHFFFAOYSA-N    		 CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(
    Oc4cccc(OC(F)(F)F)c4)nc12; CN1c2c(n(c(n2
    )Oc3cccc(c3)OC(F)(F)F)Cc4ccc(cc4)Cl)C(=O
    )N(C1=O)CCCO    		 7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione
    32361
    PJR    		 3 C24 H40 F2 N3 O8 S InChI=1S/C24H38F2N3O8S/c1
    -13(2)9-18(21(31)28-19(22
    (32)38(34,35)36)11-15-5-8
    -27-20(15)30)29-23(33)37-
    12-16-10-17(16)14-3-6-24(
    25,26)7-4-14/h13-19,22,32
    H,3-12H2,1-2H3,(H3-2,27,2
    8,29,30,31,33,34,35,36)/q
    -1/p+2/t15-,16+,17+,18-,1
    9-,22-/m0/s1;
    ACNPODIUBZVYHB-WUOGMODZSA-P    		 CC(C)C[C@H](NC(=O)OC[C@H]1C[C@@H]1C2CCC(
    F)(F)CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C
    @@H](O)[S+](O)(O)=O; CC(C)C[CH](NC(=O)OC
    [CH]1C[CH]1C2CCC(F)(F)CC2)C(=O)N[CH](C[C
    H]3CCNC3=O)[CH](O)[S+](O)(O)=O; CC(C)CC(
    C(=O)NC(CC1CCNC1=O)C(O)[S+](=O)(O)O)NC(=
    O)OCC2CC2C3CCC(CC3)(F)F; CC(C)C[C@@H](C(
    =O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)[S+]
    (=O)(O)O)NC(=O)OC[C@H]2C[C@@H]2C3CCC(CC3
    )(F)F    		 [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
    32362
    PJS
    ZINC000048708335    		 1 C14 H13 Cl F N3 O InChI=1S/C14H13ClFN3O/c1-
    9-17-7-6-13(18-9)14(20)19
    (2)8-10-11(15)4-3-5-12(10
    )16/h3-7H,8H2,1-2H3;
    MOTYBLMYPYOWBD-UHFFFAOYSA-N    		 Cc1nccc(n1)C(=O)N(C)Cc2c(cccc2Cl)F; CN(C
    c1c(F)cccc1Cl)C(=O)c2ccnc(C)n2; Cc1nc(cc
    n1)C(N(Cc2c(F)cccc2Cl)C)=O    		 N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide
    32363
    PJT    		 1 C20 H21 N3 O3 S InChI=1S/C20H21N3O3S/c1-1
    3-12-16-17(24)20(25)6-7-2
    3(19(20)21-18(16)27-13)15
    -4-2-14(3-5-15)22-8-10-26
    -11-9-22/h2-5,12,25H,6-11
    H2,1H3/t20-/m1/s1;
    KUIAFBSRBMWQQP-HXUWFJFHSA-N    		 Cc1sc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c4ccc(c
    c4)N5CCOCC5; Cc1cc2c(s1)N=C3[C@](C2=O)(C
    CN3c4ccc(cc4)N5CCOCC5)O; Cc1sc2N=C3N(CC[
    C]3(O)C(=O)c2c1)c4ccc(cc4)N5CCOCC5; Cc1c
    c2c(s1)N=C3C(C2=O)(CCN3c4ccc(cc4)N5CCOCC
    5)O    		 (9~{S})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one
    32364
    PJU
    CHEMBL5219830    		 1 C22 H25 Cl F2 N6 O3 InChI=1S/C22H25ClF2N6O3/c
    23-19-10-17(27-22(26)28-1
    9)20-15(11-31(29-20)21(24
    )25)9-14-3-1-2-4-18(14)34
    -8-6-30-5-7-33-13-16(30)1
    2-32/h1-4,10-11,16,21,32H
    ,5-9,12-13H2,(H2,26,27,28
    )/t16-/m1/s1;
    XVGSKZXXLKUEIO-MRXNPFEDSA-N    		 c1ccc(c(c1)Cc2cn(nc2c3cc(nc(n3)N)Cl)C(F)
    F)OCCN4CCOC[C@H]4CO; Nc1nc(Cl)cc(n1)c2nn
    (cc2Cc3ccccc3OCCN4CCOC[C@H]4CO)C(F)F; Nc
    1nc(Cl)cc(n1)c2nn(cc2Cc3ccccc3OCCN4CCOC[
    CH]4CO)C(F)F; c1ccc(c(c1)Cc2cn(nc2c3cc(n
    c(n3)N)Cl)C(F)F)OCCN4CCOCC4CO    		 [(3~{R})-4-[2-[2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-[bis(fluoranyl)methyl]pyrazol-4-yl]methyl]phenoxy]ethyl]morpholin-3-yl]methanol
    32365
    PJV
    ZINC000052815764    		 1 C10 H7 Br N2 O InChI=1S/C10H7BrN2O/c11-8
    -4-1-2-5-9(8)14-10-6-3-7-
    12-13-10/h1-7H;
    PESLFQDAIUALFG-UHFFFAOYSA-N    		 c1ccc(c(c1)Oc2cccnn2)Br; Brc1ccccc1Oc2cc
    cnn2; c1(Br)ccccc1Oc2cccnn2    		 3-(2-bromophenoxy)pyridazine
    32366
    PJW
    CHEMBL1616388    		 2 C12 H8 I InChI=1S/C12H9I/c1-3-7-11
    -9(5-1)10-6-2-4-8-12(10)1
    3-11/h1-8,13H;
    PEWVMQDYYUSPRM-UHFFFAOYSA-N    		 c1ccc2c(c1)-c3ccccc3I2; [I]1c2ccccc2c3cc
    ccc13    		 benzo[b][1]benziodole
    32367
    PJX    		 4 C20 H18 Cl N3 O InChI=1S/C20H18ClN3O/c1-2
    4-9-8-16(17-10-14(21)6-7-
    19(17)24)20(25)23-18-12-2
    2-11-13-4-2-3-5-15(13)18/
    h2-7,10-12,16H,8-9H2,1H3,
    (H,23,25)/t16-/m1/s1;
    NIZLDWOVHDTVKM-MRXNPFEDSA-N    		 Clc1ccc2c(c1)C(CCN2C)C(=O)Nc1cncc2ccccc2
    1; CN1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3c
    ccc4; CN1CC[C@@H](C(=O)Nc2cncc3ccccc23)c
    4cc(Cl)ccc14; CN1CC[C@H](c2c1ccc(c2)Cl)C
    (=O)Nc3cncc4c3cccc4; CN1CC[CH](C(=O)Nc2c
    ncc3ccccc23)c4cc(Cl)ccc14    		 (4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
    32368
    PJY
    ZINC000000092203    		 1 C9 H12 N2 O S InChI=1S/C9H12N2OS/c1-11(
    2)9(12)7-5-4-6-10-8(7)13-
    3/h4-6H,1-3H3;
    KORZBTDVYBSAMM-UHFFFAOYSA-N    		 CSc1c(cccn1)C(=O)N(C)C; CSc1ncccc1C(=O)N
    (C)C; CN(C)C(=O)c1cccnc1SC    		 N,N-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide
    32369
    PJZ
    ZINC000263620847    		 1 C30 H48 O4 InChI=1S/C30H48O4/c1-4-6-
    8-10-12-14-15-16-18-19-21
    -23-25-29(31)33-27-28(3)3
    4-30(32)26-24-22-20-17-13
    -11-9-7-5-2/h6,8,10,12,14
    -16,18-19,21,28H,4-5,7,9,
    11,13,17,20,22-27H2,1-3H3
    /b8-6+,12-10+,15-14+,18-1
    6+,21-19+/t28-/m1/s1;
    ONKSLGBBXPETKB-WGIZECGSSA-N    		 CCCCCCCCCCCC(=O)OC(C)COC(=O)CCC=CC=CC=CC
    =CC=CCC; CCCCCCCCCCCC(=O)OC(C)COC(=O)CC/
    C=C/C=C/C=C/C=C/C=C/CC; CCCCCCCCCCCC(=O)
    O[C@H](C)COC(=O)CC\C=C\C=C\C=C\C=C\C=C\C
    C; CCCCCCCCCCCC(=O)O[CH](C)COC(=O)CCC=CC
    =CC=CC=CC=CCC; O=C(OC(C)COC(=O)CC\C=C\C=
    C\C=C\C=C\C=C\CC)CCCCCCCCCCC    		 (2R)-2-(dodecanoyloxy)propyl (4E,6E,8E,10E,12E)-pentadeca-4,6,8,10,12-pentaenoate
    32370
    PK0
    CHEMBL2177238
    ZINC000043176168    		 1 C19 H14 F3 N3 O3 InChI=1S/C19H14F3N3O3/c1-
    18(12-4-7-14(26)8-5-12)16
    (27)25(17(28)24(18)2)13-6
    -3-11(10-23)15(9-13)19(20
    ,21)22/h3-9,26H,1-2H3/t18
    -/m1/s1;
    IHPVXUVRRPAUIQ-GOSISDBHSA-N    		 CN1C(=O)N(c2ccc(C#N)c(c2)C(F)(F)F)C(=O)[
    C]1(C)c3ccc(O)cc3; C[C@]1(C(=O)N(C(=O)N1
    C)c2ccc(c(c2)C(F)(F)F)C#N)c3ccc(cc3)O; F
    C(F)(F)c3cc(N2C(=O)N(C)C(c1ccc(O)cc1)(C2
    =O)C)ccc3C#N; CC1(C(=O)N(C(=O)N1C)c2ccc(
    c(c2)C(F)(F)F)C#N)c3ccc(cc3)O; CN1C(=O)N
    (c2ccc(C#N)c(c2)C(F)(F)F)C(=O)[C@@]1(C)c
    3ccc(O)cc3    		 4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
    32371
    PK1
    CHEMBL2177230
    ZINC000095575041    		 1 C17 H14 Cl2 N2 O2 S InChI=1S/C17H14Cl2N2O2S/c
    1-17(10-3-6-12(22)7-4-10)
    15(23)21(16(24)20(17)2)11
    -5-8-13(18)14(19)9-11/h3-
    9,22H,1-2H3/t17-/m1/s1;
    YPONBLYNQFHCLA-QGZVFWFLSA-N    		 CN1C(=S)N(C(=O)[C@@]1(C)c2ccc(O)cc2)c3cc
    c(Cl)c(Cl)c3; CN1C(=S)N(C(=O)[C]1(C)c2cc
    c(O)cc2)c3ccc(Cl)c(Cl)c3; Clc3ccc(N2C(=S
    )N(C)C(c1ccc(O)cc1)(C2=O)C)cc3Cl; CC1(C(
    =O)N(C(=S)N1C)c2ccc(c(c2)Cl)Cl)c3ccc(cc3
    )O; C[C@]1(C(=O)N(C(=S)N1C)c2ccc(c(c2)Cl
    )Cl)c3ccc(cc3)O    		 (5R)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one
    32372
    PK2
    ZINC000039195957    		 2 C19 H27 N7 O InChI=1S/C19H27N7O/c1-21-
    19-23-14-9-13-15(24-18(20
    )26-17(13)27)12(16(14)25-
    19)7-8-22-10-11-5-3-2-4-6
    -11/h9,11,22H,2-8,10H2,1H
    3,(H2,21,23,25)(H3,20,24,
    26,27);
    ZKRVOXSNLYAMLM-UHFFFAOYSA-N    		 O=C1c3c(N=C(N)N1)c(c2nc(nc2c3)NC)CCNCC4C
    CCCC4; CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCCC
    4)N=C(NC3=O)N; CNc1[nH]c2cc3C(=O)NC(=Nc3
    c(CCNCC4CCCCC4)c2n1)N    		 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
    32373
    PK3
    ZINC000039196469    		 1 C12 H14 N6 O2 InChI=1S/C12H14N6O2/c1-14
    -12-15-7-4-6-8(16-11(13)1
    8-10(6)20)5(2-3-19)9(7)17
    -12/h4,19H,2-3H2,1H3,(H2,
    14,15,17)(H3,13,16,18,20);
    VKUWLKQBGXDONE-UHFFFAOYSA-N    		 O=C3NC(=Nc2c(c1nc(nc1cc23)NC)CCO)N; CNc1
    [nH]c2c(n1)cc3c(c2CCO)N=C(NC3=O)N; CNc1[
    nH]c2c(CCO)c3N=C(N)NC(=O)c3cc2n1    		 6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
    32374
    PK4
    ZINC000273215815    		 3 C8 H10 F N O2 S InChI=1S/C8H10FNO2S/c1-6-
    4-3-5-7(8(6)9)13(11,12)10
    -2/h3-5,10H,1-2H3;
    PXJRMCHXJXWNJG-UHFFFAOYSA-N    		 Cc1cccc(c1F)S(=O)(=O)NC; CNS(c1c(c(C)ccc
    1)F)(=O)=O; CN[S](=O)(=O)c1cccc(C)c1F    		 2-fluoro-N,3-dimethylbenzene-1-sulfonamide
    32375
    PK5    		 2 C27 H37 Cl N6 O3 InChI=1S/C27H37ClN6O3/c1-
    3-22-24(34-16-19(28)6-9-2
    3(34)30-22)26(36)29-14-18
    -4-7-20(8-5-18)32-12-10-2
    1(11-13-32)33-15-17(2)25(
    35)31-27(33)37/h4-5,7-8,1
    5,19,21-24,30H,3,6,9-14,1
    6H2,1-2H3,(H,29,36)(H,31,
    35,37);
    ZMLCAZKJSUZKPA-UHFFFAOYSA-N    		 CCC1C(N2CC(CCC2N1)Cl)C(=O)NCc3ccc(cc3)N4
    CCC(CC4)N5C=C(C(=O)NC5=O)C; CCC1NC2CCC(C
    l)CN2C1C(=O)NCc3ccc(cc3)N4CCC(CC4)N5C=C(
    C)C(=O)NC5=O    		 2-ethyl-~{N}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide
    32376
    PK6
    ZINC000000249469    		 4 C5 H7 N O2 S2 InChI=1S/C5H7NO2S2/c1-6-1
    0(7,8)5-3-2-4-9-5/h2-4,6H
    ,1H3;
    CTIGHRXLNNYNGU-UHFFFAOYSA-N    		 CNS(=O)(=O)c1cccs1; CN[S](=O)(=O)c1sccc1 N-methyl-2-thiophenesulfonamide
    32377
    PK7
    ZINC000000167020    		 1 C7 H7 Cl F N InChI=1S/C7H7ClFN/c8-6-3-
    5(4-10)1-2-7(6)9/h1-3H,4,
    10H2;
    LQAUXDMGRBWDIU-UHFFFAOYSA-N    		 NCc1ccc(F)c(Cl)c1; C(c1ccc(F)c(c1)Cl)N;
    c1cc(c(cc1CN)Cl)F    		 1-(3-chloro-4-fluorophenyl)methanamine
    32378
    PK8    		 1 C5 H4 N O S Zn InChI=1S/C5H5NOS.Zn/c7-6-
    4-2-1-3-5(6)8;/h1-4,8H;/q
    ;+2/p-1;
    PURMLSMXFJKREH-UHFFFAOYSA-M    		 O1[Zn]Sc2cccc[n+]12; c1cc[n+]2c(c1)S[Zn]
    O2    		 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene
    32379
    PK9
    CHEMBL3814075
    ZINC000121986305    		 2 C17 H27 N3 O3 InChI=1S/C17H27N3O3/c1-17
    (2,3)23-16(22)19-11-6-4-5
    -9-15(21)20-13-14-8-7-10-
    18-12-14/h7-8,10,12H,4-6,
    9,11,13H2,1-3H3,(H,19,22)
    (H,20,21);
    LDXDSDSWWMTDPA-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)NCCCCCC(=O)NCc1cccnc1; O=C
    (OC(C)(C)C)NCCCCCC(=O)NCc1cccnc1    		 tert-butyl {6-oxo-6-[(pyridin-3-ylmethyl)amino]hexyl}carbamate
    32380
    PKA
    CHEMBL416715
    ZINC000003870481    		 4 C21 H21 Cl N2 O InChI=1S/C21H21ClN2O/c1-4
    -14(2)24(3)21(25)19-13-15
    -9-5-6-10-16(15)20(23-19)
    17-11-7-8-12-18(17)22/h5-
    14H,4H2,1-3H3/t14-/m1/s1;
    RAVIZVQZGXBOQO-CQSZACIVSA-N    		 Clc1ccccc1c3nc(cc2c3cccc2)C(=O)N(C(C)CC)
    C; CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)c
    3ccccc3Cl; CCC(C)N(C)C(=O)c1cc2ccccc2c(n
    1)c3ccccc3Cl; CC[CH](C)N(C)C(=O)c1cc2ccc
    cc2c(n1)c3ccccc3Cl    		 N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide
    32381
    PKB
    CHEMBL188426
    ZINC000013582631    		 1 C20 H17 F3 N6 O2 InChI=1S/C20H17F3N6O2/c1-
    3-31-18-5-4-17-15(11-25-2
    9(17)28-18)16-6-7-24-19(2
    7-16)26-13-8-12(20(21,22)
    23)9-14(10-13)30-2/h4-11H
    ,3H2,1-2H3,(H,24,26,27);
    FXUBIYKZSFWJQZ-UHFFFAOYSA-N    		 CCOc1ccc2c(cnn2n1)c3ccnc(n3)Nc4cc(cc(c4)
    OC)C(F)(F)F; CCOc1ccc2n(ncc2c3ccnc(Nc4cc
    (OC)cc(c4)C(F)(F)F)n3)n1    		 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{N}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
    32382
    PKC
    ZINC000038292779    		 0 C10 H16 N2 O InChI=1S/C10H16N2O/c11-7-
    10(13)9(12)6-8-4-2-1-3-5-
    8/h1-5,9-10,13H,6-7,11-12
    H2/t9-,10+/m0/s1;
    GBGREWJCXCRWFB-VHSXEESVSA-N    		 NC[C@@H](O)[C@@H](N)Cc1ccccc1; c1ccc(cc1
    )CC(C(CN)O)N; c1ccc(cc1)C[C@@H]([C@@H](C
    N)O)N; NC[CH](O)[CH](N)Cc1ccccc1; OC(C(N
    )Cc1ccccc1)CN    		 (2R,3S)-1,3-diamino-4-phenylbutan-2-ol
    32383
    PKD
    ZINC000005894238    		 1 C11 H10 Cl N O3 S InChI=1S/C11H10ClNO3S/c12
    -8-3-1-7(2-4-8)10(14)13-6
    -17-5-9(13)11(15)16/h1-4,
    9H,5-6H2,(H,15,16)/t9-/m1
    /s1;
    SUAAPVQQVPKSHG-SECBINFHSA-N    		 c1cc(ccc1C(=O)N2CSC[C@@H]2C(=O)O)Cl; OC(
    =O)[CH]1CSCN1C(=O)c2ccc(Cl)cc2; C(C1CSCN
    1C(c2ccc(cc2)Cl)=O)(O)=O; c1cc(ccc1C(=O)
    N2CSCC2C(=O)O)Cl; OC(=O)[C@H]1CSCN1C(=O)
    c2ccc(Cl)cc2    		 (4S)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
    32384
    PKE    		 2 C20 H21 N7 O3 S InChI=1S/C20H21N7O3S/c1-2
    7(31(2,29)30)19-13(4-3-8-
    21-19)12-23-17-7-9-22-20(
    26-17)24-15-5-6-16-14(10-
    15)11-18(28)25-16/h3-10H,
    11-12H2,1-2H3,(H,25,28)(H
    2,22,23,24,26);
    BTIZXJFJJCRTBP-UHFFFAOYSA-N    		 CN(c1c(cccn1)CNc2ccnc(n2)Nc3ccc4c(c3)CC(
    =O)N4)S(=O)(=O)C; CN(c1ncccc1CNc2ccnc(Nc
    3ccc4NC(=O)Cc4c3)n2)[S](C)(=O)=O    		 ~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
    32385
    PKF
    DB01989    		 1 C36 H52 N6 O9 P InChI=1S/C36H51N6O9P/c1-2
    5(34(45)41-21-12-19-30(41
    )35(46)50-2)40-52(48,49)3
    1(23-26-13-5-3-6-14-26)39
    -32(43)28(17-9-10-20-37)3
    8-33(44)29-18-11-22-42(29
    )36(47)51-24-27-15-7-4-8-
    16-27/h3-8,13-16,25,28-31
    H,9-12,17-24,37H2,1-2H3,(
    H,38,44)(H,39,43)(H2,40,4
    8,49)/p+1/t25-,28-,29-,30
    -,31+/m0/s1;
    JVJRALIDWYDPLY-HEPRJOMSSA-O    		 COC(=O)[CH]1CCCN1C(=O)[CH](C)N[P](O)(=O)
    [CH](Cc2ccccc2)NC(=O)[CH](CCCC[NH3+])NC(
    =O)[CH]3CCCN3C(=O)OCc4ccccc4; C[C@@H](C(
    =O)N1CCC[C@H]1C(=O)OC)N[P@@](=O)([C@H](C
    c2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C
    @@H]3CCCN3C(=O)OCc4ccccc4)O; COC(=O)[C@@
    H]1CCCN1C(=O)[C@H](C)N[P@@](O)(=O)[C@H](
    Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)[
    C@@H]3CCCN3C(=O)OCc4ccccc4; CC(C(=O)N1CC
    CC1C(=O)OC)NP(=O)(C(Cc2ccccc2)NC(=O)C(CC
    CC[NH3+])NC(=O)C3CCCN3C(=O)OCc4ccccc4)O;
    O=C(NC(C(=O)NC(Cc1ccccc1)P(=O)(O)NC(C(=
    O)N2C(C(=O)OC)CCC2)C)CCCC[NH3+])C4N(C(=O
    )OCc3ccccc3)CCC4    		 CARBOBENZOXY-PRO-LYS-PHE-Y(PO2)-ALA-PRO-OME
    32386
    PKG
    CHEMBL4642419    		 1 C28 H28 N4 O3 InChI=1S/C28H28N4O3/c1-3-
    32-25-12-11-23(18(2)27(25
    )29-30-32)24(16-26(33)34)
    21-10-9-19-13-14-31(17-22
    (19)15-21)28(35)20-7-5-4-
    6-8-20/h4-12,15,24H,3,13-
    14,16-17H2,1-2H3,(H,33,34
    )/t24-/m0/s1;
    AUCYBCJRRYAJGN-DEOSSOPVSA-N    		 c12CCN(Cc1cc(cc2)C(c4c(C)c3nnn(c3cc4)CC)
    CC(O)=O)C(=O)c5ccccc5; CCn1c2ccc(c(c2nn1
    )C)[C@@H](CC(=O)O)c3ccc4c(c3)CN(CC4)C(=O
    )c5ccccc5; CCn1c2ccc(c(c2nn1)C)C(CC(=O)O
    )c3ccc4c(c3)CN(CC4)C(=O)c5ccccc5; CCn1nn
    c2c(C)c(ccc12)[CH](CC(O)=O)c3ccc4CCN(Cc4
    c3)C(=O)c5ccccc5; CCn1nnc2c(C)c(ccc12)[C
    @@H](CC(O)=O)c3ccc4CCN(Cc4c3)C(=O)c5cccc
    c5    		 (3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid
    32387
    PKH    		 1 C21 H23 Cl N5 O S InChI=1S/C21H22ClN5OS/c22
    -15-7-12(18-10-24-9-17(25
    -18)11-1-2-11)3-5-14(15)2
    0(28)26-16-8-13-4-6-19(16
    )27(13)21(23)29/h3,5,7,9-
    11,13,16,19H,1-2,4,6,8H2,
    (H3,23,26,28,29)/p+1/t13-
    ,16+,19+/m0/s1;
    KZSNYGBGGXEVJT-URKNILKWSA-O    		 NC(S)=[N+]1[CH]2CC[CH]1[CH](C2)NC(=O)c3c
    cc(cc3Cl)c4cncc(n4)C5CC5; c1cc(c(cc1c2cn
    cc(n2)C3CC3)Cl)C(=O)NC4CC5CCC4[N+]5=C(N)
    S; N\C(S)=[N+]1\[C@H]2CC[C@@H]1[C@@H](C2
    )NC(=O)c3ccc(cc3Cl)c4cncc(n4)C5CC5; N/C(
    S)=[N+]1/C2CC(NC(=O)c3ccc(cc3Cl)c3cncc(n
    3)C3CC3)C1CC2; c1cc(c(cc1c2cncc(n2)C3CC3
    )Cl)C(=O)N[C@@H]4C[C@@H]\5CC[C@H]4/[N+]5
    =C(\N)/S    		 ~{N}-[(1~{R},2~{R},4~{S},7~{E})-7-[azanyl(sulfanyl)methylidene]-7$l^{4}-azabicyclo[2.2.1]heptan-2-yl]-2-chloranyl-4-(6-cyclopropylpyrazin-2-yl)benzamide
    32388
    PKJ
    CHEMBL3342402
    ZINC000000801901    		 2 C20 H16 N4 O3 S2 InChI=1S/C20H16N4O3S2/c1-
    12-2-4-13(5-3-12)15-9-28-
    19-22-23-20(24(15)19)29-1
    0-18(25)21-14-6-7-16-17(8
    -14)27-11-26-16/h2-9H,10-
    11H2,1H3,(H,21,25);
    XYXNYQAJSYUYNZ-UHFFFAOYSA-N    		 Cc1ccc(cc1)c2csc3nnc(SCC(=O)Nc4ccc5OCOc5
    c4)n23; Cc1ccc(cc1)c2csc3n2c(nn3)SCC(=O)
    Nc4ccc5c(c4)OCO5; O=C(Nc2ccc1OCOc1c2)CSc
    3nnc4scc(n34)c5ccc(cc5)C    		 N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide
    32389
    PKK    		 2 C17 H12 I2 O4 InChI=1S/C17H12I2O4/c1-2-
    13-15(10-4-3-9(20)7-14(10
    )23-13)16(21)8-5-11(18)17
    (22)12(19)6-8/h3-7,20,22H
    ,2H2,1H3;
    YOSYHCQGAMQBMM-UHFFFAOYSA-N    		 CCc1oc2cc(O)ccc2c1C(=O)c3cc(I)c(O)c(I)c3
    ; CCc1c(c2ccc(cc2o1)O)C(=O)c3cc(c(c(c3)I
    )O)I    		 [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone
    32390
    PKL
    CHEMBL3342393
    ZINC000098174436    		 2 C21 H18 Cl N3 O S InChI=1S/C21H18ClN3OS/c1-
    14-5-7-16(8-6-14)19-13-27
    -21-24-12-18(25(19)21)20(
    26)23-10-9-15-3-2-4-17(22
    )11-15/h2-8,11-13H,9-10H2
    ,1H3,(H,23,26);
    XLEXBEMTJAGGPY-UHFFFAOYSA-N    		 Clc1cccc(c1)CCNC(=O)c3cnc4scc(c2ccc(cc2)
    C)n34; Cc1ccc(cc1)c2csc3n2c(cn3)C(=O)NCC
    c4cccc(c4)Cl; Cc1ccc(cc1)c2csc3ncc(n23)C
    (=O)NCCc4cccc(Cl)c4    		 N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
    32391
    PKM    		 5 C13 H21 N O10 InChI=1S/C13H21NO10/c1-5(
    16)14-9-8(23-6(2)17)3-13(
    22,12(20)21)24-11(9)10(19
    )7(18)4-15/h7-11,15,18-19
    ,22H,3-4H2,1-2H3,(H,14,16
    )(H,20,21)/t7-,8+,9-,10-,
    11-,13-/m1/s1;
    LVBIMVQYUKOENY-CYBLFPARSA-N    		 CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)OC
    (=O)C; CC(=O)N[CH]1[CH](C[C](O)(O[CH]1[C
    H](O)[CH](O)CO)C(O)=O)OC(C)=O; C(=O)(O)C
    1(O)CC(OC(=O)C)C(C(O1)C(C(O)CO)O)NC(C)=O
    ; CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@
    H]([C@@H](CO)O)O)(C(=O)O)O)OC(=O)C; CC(=
    O)N[C@@H]1[C@H](C[C@@](O)(O[C@H]1[C@H](O
    )[C@H](O)CO)C(O)=O)OC(C)=O    		 4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid;
    4-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid;
    4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulosonic acid;
    4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid;
    4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-galacto-non-2-ulosonic acid
    32392
    PKN
    CHEMBL79155
    ZINC000002570110    		 5 C5 H5 N O2 InChI=1S/C5H5NO2/c7-5(8)4
    -1-2-6-3-4/h1-3,6H,(H,7,8
    );
    DOYOPBSXEIZLRE-UHFFFAOYSA-N    		 c1c[nH]cc1C(=O)O; OC(=O)c1c[nH]cc1; O=C(
    O)c1cc[NH]c1    		 1H-pyrrole-3-carboxylic acid
    32393
    PKP    		 16 C21 H18 Cl N O3 S InChI=1S/C21H18ClNO3S/c1-
    21(2)10-16(24)19(17(25)11
    -21)12-3-6-14(7-4-12)26-2
    0-23-15-8-5-13(22)9-18(15
    )27-20/h3-9,24H,10-11H2,1
    -2H3;
    POUJNUFBEAPAJW-UHFFFAOYSA-N    		 C1C(C)(C)CC(=C(C1=O)c2ccc(cc2)Oc3nc4c(s3
    )cc(cc4)Cl)O; CC1(CC(=C(C(=O)C1)c2ccc(cc
    2)Oc3nc4ccc(cc4s3)Cl)O)C; CC1(C)CC(=C(C(
    =O)C1)c2ccc(Oc3sc4cc(Cl)ccc4n3)cc2)O    		 4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one
    32394
    PKQ
    CHEMBL1767079
    ZINC000038518209    		 2 C17 H12 Br2 O4 InChI=1S/C17H12Br2O4/c1-2
    -13-15(10-4-3-9(20)7-14(1
    0)23-13)16(21)8-5-11(18)1
    7(22)12(19)6-8/h3-7,20,22
    H,2H2,1H3;
    FEXBXMFVRKZOOZ-UHFFFAOYSA-N    		 CCc1oc2cc(O)ccc2c1C(=O)c3cc(Br)c(O)c(Br)
    c3; CCc1c(c2ccc(cc2o1)O)C(=O)c3cc(c(c(c3
    )Br)O)Br    		 [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone
    32395
    PKR    		 0 C6 H11 N O2 InChI=1S/C6H11NO2/c1-7-4-
    2-3-5(7)6(8)9/h5H,2-4H2,1
    H3,(H,8,9)/t5-/m0/s1;
    CWLQUGTUXBXTLF-YFKPBYRVSA-N    		 CN1CCCC1C(=O)O; CN1CCC[C@H]1C(O)=O; O=C(
    O)C1N(C)CCC1; CN1CCC[CH]1C(O)=O; C[N@@]1
    CCC[C@H]1C(=O)O    		 (2S)-1-methylpyrrolidine-2-carbaldehyde
    32396
    PKS
    ZINC000014655970    		 6 C24 H35 N O3 InChI=1S/C24H35NO3/c1-8-1
    8(4)24(27)19(5)14-17(3)11
    -9-10-16(2)12-13-21-20(6)
    22(26)15-23(25-21)28-7/h8
    -9,11-12,14-15,19,24,27H,
    10,13H2,1-7H3,(H,25,26)/b
    11-9+,16-12+,17-14+,18-8+
    /t19-,24+/m1/s1;
    RESCEXRHBPSAAM-HWMDAMIQSA-N    		 CC(C(O)C(C)=[C@H]C)\C=C(\C=C\CC(=[C@H]Cc
    1nc(cc(O)c1C)OC)C)C; C/C=C(\C)/[C@@H]([C
    @H](C)/C=C(\C)/C=C/C/C(=C/Cc1c(c(cc(n1)O
    C)O)C)/C)O; COc1cc(O)c(C)c(CC=C(C)CC=CC(
    C)=C[CH](C)[CH](O)C(C)=CC)n1; COc1cc(O)c
    (C)c(C/C=C(C)/C/C=C/C(C)=C/[C@@H](C)[C@@
    H](O)/C(C)=C/C)n1; CC=C(C)C(C(C)C=C(C)C=
    CCC(=CCc1c(c(cc(n1)OC)O)C)C)O    		 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol
    32397
    PKT
    CHEMBL3814877
    ZINC000263620672    		 1 C25 H32 N4 O3 S InChI=1S/C25H32N4O3S/c1-2
    5(2,3)32-24(31)29-20(13-1
    9-16-27-22-9-5-4-8-21(19)
    22)17-33-12-10-23(30)28-1
    5-18-7-6-11-26-14-18/h4-9
    ,11,14,16,20,27H,10,12-13
    ,15,17H2,1-3H3,(H,28,30)(
    H,29,31)/t20-/m0/s1;
    KSORMZFPXQKUAB-FQEVSTJZSA-N    		 CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)
    CSCCC(=O)NCc3cccnc3; O=C(OC(C)(C)C)NC(CS
    CCC(=O)NCc1cccnc1)Cc3c2ccccc2nc3; CC(C)(
    C)OC(=O)NC(Cc1c[nH]c2c1cccc2)CSCCC(=O)NC
    c3cccnc3; CC(C)(C)OC(=O)N[C@H](CSCCC(=O)
    NCc1cccnc1)Cc2c[nH]c3ccccc23; CC(C)(C)OC
    (=O)N[CH](CSCCC(=O)NCc1cccnc1)Cc2c[nH]c3
    ccccc23    		 tert-butyl [(2S)-1-(1H-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate
    32398
    PKU
    CHEMBL4077137
    ZINC000004038467    		 2 C6 H7 Br N2 O InChI=1S/C6H7BrN2O/c1-8-6
    (10)5-2-4(7)3-9-5/h2-3,9H
    ,1H3,(H,8,10);
    HQGRBJIXXLIGLE-UHFFFAOYSA-N    		 CNC(=O)c1[nH]cc(Br)c1; CNC(=O)c1cc(c[nH]
    1)Br    		 4-bromanyl-~{N}-methyl-1~{H}-pyrrole-2-carboxamide
    32399
    PKV    		 4 C11 H16 B N4 O7 P S InChI=1S/C11H16BN4O7PS/c1
    -9-2-4-11(5-3-9)25(21,22)
    13-6-10-7-16(15-14-10)8-1
    2(17)23-24(18,19)20/h2-5,
    7,13,17H,6,8H2,1H3,(H2,18
    ,19,20);
    YPLPGLUGELKLDN-UHFFFAOYSA-N    		 B(Cn1cc(nn1)CNS(=O)(=O)c2ccc(cc2)C)(O)OP
    (=O)(O)O; Cc1ccc(cc1)[S](=O)(=O)NCc2cn(C
    B(O)O[P](O)(O)=O)nn2    		 [4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
    32400
    PKW    		 1 C17 H15 Cl N4 O2 InChI=1S/C17H15ClN4O2/c1-
    22-9-20-13-7-19-8-14(16(1
    3)22)21-17(23)11-4-5-24-1
    5-3-2-10(18)6-12(11)15/h2
    -3,6-9,11H,4-5H2,1H3,(H,2
    1,23)/t11-/m1/s1;
    BKYVVDKZFPPWFC-LLVKDONJSA-N    		 Cn1cnc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c12
    ; Cn1cnc2c1c(cnc2)NC(=O)C3CCOc4c3cc(cc4)
    Cl; Cn1cnc2c1c(cnc2)NC(=O)[C@@H]3CCOc4c3
    cc(cc4)Cl; Cn1cnc2cncc(NC(=O)[CH]3CCOc4c
    cc(Cl)cc34)c12; Cn1cnc2cncc(NC(=O)[C@@H]
    3CCOc4ccc(Cl)cc34)c12    		 (4R)-6-chloro-N-(1-methyl-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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