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  • Click # to view 2D diagram of the ligand.
  • 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
    32401
    PKY    		 4 C10 H12 B N4 O6 P InChI=1S/C10H12BN4O6P/c12
    -10(16)8-3-1-2-7(4-8)9-5-
    15(14-13-9)6-11(17)21-22(
    18,19)20/h1-5,17H,6H2,(H2
    ,12,16)(H2,18,19,20);
    FKHVACRDBKDASW-UHFFFAOYSA-N    		 NC(=O)c1cccc(c1)c2cn(CB(O)O[P](O)(O)=O)n
    n2; B(Cn1cc(nn1)c2cccc(c2)C(=O)N)(O)OP(=
    O)(O)O    		 [4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
    32402
    PKZ    		 19 C37 H66 N7 O17 P3 S InChI=1S/C37H66N7O17P3S/c
    1-4-5-6-7-8-9-10-11-12-13
    -14-15-16-17-28(46)65-21-
    20-39-27(45)18-19-40-35(4
    9)32(48)37(2,3)23-58-64(5
    5,56)61-63(53,54)57-22-26
    -31(60-62(50,51)52)30(47)
    36(59-26)44-25-43-29-33(3
    8)41-24-42-34(29)44/h24-2
    6,30-32,36,47-48H,4-23H2,
    1-3H3,(H,39,45)(H,40,49)(
    H,53,54)(H,55,56)(H2,38,4
    1,42)(H2,50,51,52)/t26-,3
    0-,31-,32+,36-/m1/s1;
    MNBKLUUYKPBKDU-BBECNAHFSA-N    		 CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C
    (C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2
    cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCCCCCCCCCC
    CCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)
    COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H](
    [C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O;
    CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C
    H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH
    ]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c
    (N)ncnc23; CCCCCCCCCCCCCCCC(=O)SCCNC(=O)
    CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(=O)O[P](
    O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P]
    (O)(O)=O)n2cnc3c(N)ncnc23; C(CC(SCCNC(CC
    NC(C(C(C)(COP(OP(OCC3C(C(C(n2c1ncnc(c1nc
    2)N)O3)O)OP(O)(O)=O)(=O)O)(O)=O)C)O)=O)=
    O)=O)CCCCCCCCCCCCC    		 Palmitoyl-CoA
    32403
    PL0
    CHEMBL14047
    ZINC000004276940    		 4 C7 H9 N3 InChI=1S/C7H9N3/c8-7(9)10
    -6-4-2-1-3-5-6/h1-5H,(H4,
    8,9,10);
    QRJZGVVKGFIGLI-UHFFFAOYSA-N    		 NC(=N)Nc1ccccc1; [N@H]=C(Nc1ccccc1)N; [H
    ]N=C(N)Nc1ccccc1; [H]/N=C(/N)\Nc1ccccc1    		 1-phenylguanidine
    32404
    PL1    		 0 C48 H68 Co N17 O12 S2 InChI=1S/C48H67N17O10S2.C
    o.H2O2/c1-22-35(62-42(65-
    40(22)51)29(16-33(50)67)5
    7-17-28(49)41(52)70)46(74
    )64-37(39(69)30-18-53-21-
    58-30)47(75)59-25(4)38(68
    )23(2)43(71)63-36(26(5)66
    )45(73)56-15-12-34-60-32(
    20-76-34)48-61-31(19-77-4
    8)44(72)55-14-9-13-54-24(
    3)27-10-7-6-8-11-27;;1-2/
    h6-8,10-11,18-21,23-26,28
    -29,36-39,54,57,66,68-69H
    ,9,12-17,49H2,1-5H3,(H2,5
    0,67)(H2,52,70)(H,53,58)(
    H,55,72)(H,56,73)(H,59,75
    )(H,63,71)(H,64,74)(H2,51
    ,62,65);;1-2H/q;+2;/p-1/t
    23-,24-,25+,26+,28-,29-,3
    6-,37-,38-,39-;;/m0../s1;
    ZRTJCPBCZBKABC-KKVQSTLKSA-M    		 C[CH](O)[CH](NC(=O)[CH](C)[CH](O)[CH](C)
    NC(=O)[CH](NC(=O)c1c(C)c(N)nc([CH](CC(N)
    =O)NC[CH](N)C(N)=O)[n+]1[Co]OO)[CH](O)c2
    c[nH]cn2)C(=O)NCCc3scc(n3)c4scc(n4)C(=O)
    NCCCN[CH](C)c5ccccc5; O=C(N)C(N)CNC(c1nc
    (N)c(c([n+]1[Co]OO)C(=O)NC(C(=O)NC(C)C(O
    )C(C(=O)NC(C(=O)NCCc2nc(cs2)c4nc(C(=O)NC
    CCNC(c3ccccc3)C)cs4)C(O)C)C)C(O)c5ncnc5)
    C)CC(=O)N; Cc1c([n+](c(nc1N)[C@H](CC(=O)
    N)NC[C@@H](C(=O)N)N)[Co]OO)C(=O)N[C@@H](
    [C@H](c2c[nH]cn2)O)C(=O)N[C@H](C)[C@H]([
    C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc
    3nc(cs3)c4nc(cs4)C(=O)NCCCN[C@@H](C)c5cc
    ccc5)O; Cc1c([n+](c(nc1N)C(CC(=O)N)NCC(C
    (=O)N)N)[Co]OO)C(=O)NC(C(c2c[nH]cn2)O)C(
    =O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCc3nc
    (cs3)c4nc(cs4)C(=O)NCCCNC(C)c5ccccc5)O;
    C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[
    C@@H](C)NC(=O)[C@@H](NC(=O)c1c(C)c(N)nc(
    [C@H](CC(N)=O)NC[C@H](N)C(N)=O)[n+]1[Co]
    OO)[C@@H](O)c2c[nH]cn2)C(=O)NCCc3scc(n3)
    c4scc(n4)C(=O)NCCCN[C@@H](C)c5ccccc5    		 COBALT (III)-DEGLYCOPEPLEOMYCIN
    32405
    PL2
    ZINC000016052261    		 14 C13 H24 N5 O5 P InChI=1S/C13H24N5O5P/c1-9
    -12(19)11(7-16-4-2-3-5-17
    -13(14)15)10(6-18-9)8-23-
    24(20,21)22/h6,16,19H,2-5
    ,7-8H2,1H3,(H4,14,15,17)(
    H2,20,21,22);
    SIKJBFNFPRPKQR-UHFFFAOYSA-N    		 [H]/N=C(/N)\NCCCCNCc1c(cnc(c1O)C)COP(=O)
    (O)O; Cc1ncc(CO[P](O)(O)=O)c(CNCCCCNC(N)
    =N)c1O; [H]N=C(N)NCCCCNCc1c(cnc(c1O)C)CO
    P(=O)(O)O; O=P(O)(O)OCc1cnc(c(O)c1CNCCCC
    NC(=[N@H])N)C    		 (4-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
    32406
    PL3
    CHEMBL706
    DB09494
    ZINC000008214519    		 15 C16 H34 O InChI=1S/C16H34O/c1-2-3-4
    -5-6-7-8-9-10-11-12-13-14
    -15-16-17/h17H,2-16H2,1H3;
    BXWNKGSJHAJOGX-UHFFFAOYSA-N    		 OCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCO HEXADECAN-1-OL
    32407
    PL4
    ZINC000058660314    		 4 C15 H24 N3 O9 P InChI=1S/C15H24N3O9P/c1-8
    -13(19)10(9(5-17-8)7-27-2
    8(24,25)26)6-18-12(15(22)
    23)4-2-3-11(16)14(20)21/h
    5,11-12,18-19H,2-4,6-7,16
    H2,1H3,(H,20,21)(H,22,23)
    (H2,24,25,26)/t11-,12-/m0
    /s1;
    AEPLLCAFHXWECU-RYUDHWBXSA-N    		 O=C(O)C(N)CCCC(C(=O)O)NCc1c(cnc(c1O)C)CO
    P(=O)(O)O; Cc1c(c(c(cn1)COP(=O)(O)O)CN[C
    @@H](CCC[C@@H](C(=O)O)N)C(=O)O)O; Cc1c(c
    (c(cn1)COP(=O)(O)O)CNC(CCCC(C(=O)O)N)C(=
    O)O)O; Cc1ncc(CO[P](O)(O)=O)c(CN[C@@H](C
    CC[C@H](N)C(O)=O)C(O)=O)c1O; Cc1ncc(CO[P
    ](O)(O)=O)c(CN[CH](CCC[CH](N)C(O)=O)C(O)
    =O)c1O    		 (2S,6S)-2-amino-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]heptanedioic acid
    32408
    PL5
    ZINC000058650202    		 2 C15 H22 N3 O9 P InChI=1S/C15H22N3O9P/c1-8
    -13(19)10(9(5-17-8)7-27-2
    8(24,25)26)6-18-12(15(22)
    23)4-2-3-11(16)14(20)21/h
    5-6,11-12,19H,2-4,7,16H2,
    1H3,(H,20,21)(H,22,23)(H2
    ,24,25,26)/b18-6+/t11-,12
    -/m0/s1;
    VHNMKXLQZMEZSG-NTQSYZAISA-N    		 O=C(O)C(N)CCCC(/N=C/c1c(cnc(c1O)C)COP(=O
    )(O)O)C(=O)O; Cc1c(c(c(cn1)COP(=O)(O)O)C
    =NC(CCCC(C(=O)O)N)C(=O)O)O; Cc1ncc(CO[P]
    (O)(O)=O)c(C=N[CH](CCC[CH](N)C(O)=O)C(O)
    =O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C
    @@H](CCC[C@@H](C(=O)O)N)C(=O)O)O; Cc1ncc
    (CO[P](O)(O)=O)c(C=N[C@@H](CCC[C@H](N)C(
    O)=O)C(O)=O)c1O    		 (2S,6S)-2-amino-6-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}heptanedioic acid
    32409
    PL6
    ZINC000058651782    		 17 C13 H17 N2 O9 P InChI=1S/C13H17N2O9P/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/h4-5,10,18
    H,2-3,6H2,1H3,(H,16,17)(H
    ,19,20)(H2,21,22,23)/b15-
    5+/t10-/m0/s1;
    ZZRWFCMLYWHYGX-XSFFOXFNSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=N[C@@H](CCC(O)=
    O)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)C
    =NC(CCC(=O)O)C(=O)O)O; Cc1c(c(c(cn1)COP(
    =O)(O)O)\C=N\[C@@H](CCC(=O)O)C(=O)O)O; O
    =C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)CC
    C(=O)O; Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](C
    CC(O)=O)C(O)=O)c1O    		 (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-glutamic acid
    32410
    PL7
    DB08401
    ZINC000053683126    		 1 C16 H18 N2 O9 InChI=1S/C16H18N2O9/c19-1
    3(9-26-10-4-2-1-3-5-10)17
    -12(16(24)25)8-27-18-11(1
    5(22)23)6-7-14(20)21/h1-5
    ,12H,6-9H2,(H,17,19)(H,20
    ,21)(H,22,23)(H,24,25)/b1
    8-11+/t12-/m0/s1;
    LDNKNKRRFZRLIG-HWQJWEFDSA-N    		 OC(=O)CC\C(=N/OC[C@H](NC(=O)COc1ccccc1)C
    (O)=O)C(O)=O; c1ccc(cc1)OCC(=O)NC(CON=C(
    CCC(=O)O)C(=O)O)C(=O)O; c1ccc(cc1)OCC(=O
    )N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O
    ; OC(=O)CCC(=NOC[CH](NC(=O)COc1ccccc1)C(
    O)=O)C(O)=O; O=C(O)CCC(=N\OCC(C(=O)O)NC(
    =O)COc1ccccc1)/C(=O)O    		 (2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYACETYL)AMINO]ETHOXY}IMINO)PENTANEDIOIC ACID;
    PHENYLACETYL LACTIVICIN
    32411
    PL8
    ZINC000098209305    		 4 C16 H22 N3 O7 P InChI=1S/C16H22N3O7P/c1-1
    0-15(21)13(11(7-17-10)9-2
    6-27(23,24)25)8-18-14-5-4
    -12(3-2-6-20)19-16(14)22/
    h4-5,7,18,20-21H,2-3,6,8-
    9H2,1H3,(H,19,22)(H2,23,2
    4,25);
    DNUFYYJENFLUSM-UHFFFAOYSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CC=C(NC2=O
    )CCCO)O; Cc1ncc(CO[P](O)(O)=O)c(CNC2=CC=
    C(CCCO)NC2=O)c1O; O=C2C(NCc1c(cnc(c1O)C)
    COP(=O)(O)O)=CC=C(N2)CCCO    		 [5-hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
    32412
    PL9    		 0 C53 H80 O2 InChI=1S/C53H80O2/c1-40(2
    )21-13-22-41(3)23-14-24-4
    2(4)25-15-26-43(5)27-16-2
    8-44(6)29-17-30-45(7)31-1
    8-32-46(8)33-19-34-47(9)3
    5-20-36-48(10)37-38-51-39
    -52(54)49(11)50(12)53(51)
    55/h21,23,25,27,29,31,33,
    35,37,39H,13-20,22,24,26,
    28,30,32,34,36,38H2,1-12H
    3;
    FKUYMLZIRPABFK-UHFFFAOYSA-N    		 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC
    CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=CC(=O
    )C(=C(C)C1=O)C; CC1=C(C(=O)C(=CC1=O)CC=C
    (C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C
    (C)CCC=C(C)CCC=C(C)CCC=C(C)C)C; O=C1C(=C
    C(=O)C(=C1C)C)C\C=C(/C)CC\C=C(/C)CC\C=C(
    /C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(
    /C)CC\C=C(/C)CC\C=C(/C)C    		 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE;
    PLASTOQUINONE 9
    32413
    PLA
    ZINC000003870760    		 17 C13 H19 N2 O9 P InChI=1S/C13H19N2O9P/c1-7
    -11(18)9(8(4-14-7)6-24-25
    (21,22)23)5-15-13(2,12(19
    )20)3-10(16)17/h4,15,18H,
    3,5-6H2,1-2H3,(H,16,17)(H
    ,19,20)(H2,21,22,23)/t13-
    /m0/s1;
    ZFKRUCNEKPIDBK-ZDUSSCGKSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(CN[C@@](C)(CC(O)=
    O)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)C
    NC(C)(CC(=O)O)C(=O)O)O; Cc1c(c(c(cn1)COP
    (=O)(O)O)CN[C@@](C)(CC(=O)O)C(=O)O)O; O=
    C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)(C)CC(
    =O)O; Cc1ncc(CO[P](O)(O)=O)c(CN[C](C)(CC
    (O)=O)C(O)=O)c1O    		 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID;
    N-PYRIDOXYL-2-METHYLASPARTIC ACID-5-MONOPHOSPHATE
    32414
    PLB
    CHEMBL1204498
    DB08402
    ZINC000012358153    		 7 C18 H11 Cl2 N3 O4 InChI=1S/C18H11Cl2N3O4/c1
    9-10-2-4-12(14(20)8-10)16
    (24)23-15-5-3-11(9-13(15)
    17(25)26)27-18-21-6-1-7-2
    2-18/h1-9H,(H,23,24)(H,25
    ,26);
    VNDRRWBKNSHALL-UHFFFAOYSA-N    		 OC(=O)c1cc(Oc2ncccn2)ccc1NC(=O)c3ccc(Cl)
    cc3Cl; Clc1ccc(c(Cl)c1)C(=O)Nc3c(C(=O)O)
    cc(Oc2ncccn2)cc3; c1cnc(nc1)Oc2ccc(c(c2)
    C(=O)O)NC(=O)c3ccc(cc3Cl)Cl    		 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID;
    5-(2-PYRIMIDINYLOXY)-2-BENZOYLAMINOBENZOIC ACID
    32415
    PLC
    DB02777
    ZINC000014880487    		 0 C32 H65 N O8 P InChI=1S/C32H64NO8P/c1-6-
    8-10-12-14-16-18-20-22-24
    -31(34)38-28-30(29-40-42(
    36,37)39-27-26-33(3,4)5)4
    1-32(35)25-23-21-19-17-15
    -13-11-9-7-2/h30H,6-29H2,
    1-5H3/p+1/t30-/m1/s1;
    IJFVSSZAOYLHEE-SSEXGKCCSA-O    		 CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N
    +](C)(C)C)OC(=O)CCCCCCCCCCC; O=C(OCC(OC(
    =O)CCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)
    CCCCCCCCCCC; CCCCCCCCCCCC(=O)OC[C@H](CO[
    P@@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC
    CCC; CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N
    +](C)(C)C)OC(=O)CCCCCCCCCCC; CCCCCCCCCCC
    C(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C
    )OC(=O)CCCCCCCCCCC    		 DIUNDECYL PHOSPHATIDYL CHOLINE
    32416
    PLD    		 0 C50 H101 N O8 P InChI=1S/C50H100NO8P/c1-6
    -8-10-12-14-16-18-20-22-2
    4-26-28-30-32-34-36-38-40
    -42-49(52)56-46-48(47-58-
    60(54,55)57-45-44-51(3,4)
    5)59-50(53)43-41-39-37-35
    -33-31-29-27-25-23-21-19-
    17-15-13-11-9-7-2/h48H,6-
    47H2,1-5H3/p+1/t48-/m1/s1;
    QFFSGJSMHPWZOB-QSCHNALKSA-O    		 CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@]
    (=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC
    CCCCCCCC; O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC
    CCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCC
    CCCCCCCCCC; CCCCCCCCCCCCCCCCCCCCC(=O)OCC
    (COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC
    CCCCCCCCCCCC; CCCCCCCCCCCCCCCCCCCCC(=O)O
    C[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)C
    CCCCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCCC
    CC(=O)OC[C@H](CO[P](O)(=O)OCC[N+](C)(C)C
    )OC(=O)CCCCCCCCCCCCCCCCCCCC    		 di-heneicosanoyl phosphatidyl choline
    32417
    PLE    		 0 C5 H14 N O3 P InChI=1S/C5H14NO3P/c1-4(2
    )3-5(6)10(7,8)9/h4-5H,3,6
    H2,1-2H3,(H2,7,8,9)/t5-/m
    1/s1;
    HGCAUCAWEADMPM-RXMQYKEDSA-N    		 CC(C)C[CH](N)[P](O)(O)=O; CC(C)C[C@H](N)
    P(=O)(O)O; CC(C)CC(N)P(=O)(O)O; CC(C)C[C
    @H](N)[P](O)(O)=O; O=P(O)(O)C(N)CC(C)C    		 [(1R)-1-amino-3-methylbutyl]phosphonic acid
    32418
    PLF
    ZINC000098209307    		 0 C9 H14 N4 O2 InChI=1S/C9H14N4O2/c1-6(9
    (14)15)13-5-8(11-12-13)7-
    3-2-4-10-7/h5-7,10H,2-4H2
    ,1H3,(H,14,15)/t6-,7-/m0/
    s1;
    QCMZXGNUTSEEHK-BQBZGAKWSA-N    		 CC(C(=O)O)n1cc(nn1)C2CCCN2; O=C(O)C(n1nn
    c(c1)C2NCCC2)C; C[C@@H](C(=O)O)n1cc(nn1)
    [C@@H]2CCCN2; C[CH](n1cc(nn1)[CH]2CCCN2)
    C(O)=O; C[C@H](n1cc(nn1)[C@@H]2CCCN2)C(O
    )=O    		 2-[5-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID
    32419
    PLG
    DB02824
    ZINC000002046831    		 240 C10 H15 N2 O7 P InChI=1S/C10H15N2O7P/c1-6
    -10(15)8(3-11-4-9(13)14)7
    (2-12-6)5-19-20(16,17)18/
    h2,11,15H,3-5H2,1H3,(H,13
    ,14)(H2,16,17,18);
    FEVQWBMNLWUBTF-UHFFFAOYSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(CNCC(O)=O)c1O; O=
    P(O)(O)OCc1cnc(c(O)c1CNCC(=O)O)C; Cc1c(c
    (c(cn1)COP(=O)(O)O)CNCC(=O)O)O    		 N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE];
    N-PYRIDOXYL-GLYCINE-5-MONOPHOSPHATE
    32420
    PLH
    CHEMBL11306
    DB08403    		 2 C18 H27 N3 O4 InChI=1S/C18H27N3O4/c1-12
    (2)9-14(11-16(22)21-25)17
    (23)20-15(18(24)19-3)10-1
    3-7-5-4-6-8-13/h4-8,12,14
    -15,25H,9-11H2,1-3H3,(H,1
    9,24)(H,20,23)(H,21,22)/t
    14-,15+/m1/s1;
    MOPRTFSMCQNUCT-CABCVRRESA-N    		 CC(C)CC(CC(=O)NO)C(=O)NC(Cc1ccccc1)C(=O)
    NC; CNC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC(
    C)C)CC(=O)NO; O=C(NO)CC(C(=O)NC(C(=O)NC)
    Cc1ccccc1)CC(C)C; CNC(=O)[C@H](Cc1ccccc1
    )NC(=O)[C@H](CC(C)C)CC(=O)NO; CC(C)C[C@H
    ](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N
    C    		 METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID
    32421
    PLI
    ZINC000058638361    		 5 C11 H15 N2 O7 P InChI=1S/C11H15N2O7P/c1-6
    -10(14)9(4-13-7(2)11(15)1
    6)8(3-12-6)5-20-21(17,18)
    19/h3-4,12,14H,5H2,1-2H3,
    (H,15,16)(H2,17,18,19)/b9
    -4-,13-7+;
    ADVVJYVQWSKPQC-ZAQQZXBOSA-N    		 CC1=C(O)C(=CN=C(C)C(O)=O)C(=CN1)CO[P](O)
    (O)=O; CC1=C(C(=CN=C(C)C(=O)O)C(=CN1)COP
    (=O)(O)O)O; CC1=C(/C(=C\N=C(/C)\C(=O)O)/
    C(=CN1)COP(=O)(O)O)O; CC1=C(O)C(=C\N=C(C
    )C(O)=O)/C(=CN1)CO[P](O)(O)=O; O=C(O)/C(
    =N/C=C1\C(O)=C(NC=C1COP(=O)(O)O)C)C    		 (2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4(1H)-YLIDENE}METHYL]IMINO}PROPANOIC ACID
    32422
    PLJ
    ZINC000053151192    		 0 C6 H11 N O2 InChI=1S/C6H11NO2/c1-9-6(
    8)5-3-2-4-7-5/h5,7H,2-4H2
    ,1H3/t5-/m0/s1;
    BLWYXBNNBYXPPL-YFKPBYRVSA-N    		 COC(=O)[CH]1CCCN1; COC(=O)C1CCCN1; COC(=
    O)[C@@H]1CCCN1; O=C(OC)C1NCCC1    		 methyl L-prolinate
    32423
    PLK
    ZINC000098209308    		 5 C15 H25 N2 O7 P InChI=1S/C15H25N2O7P/c1-9
    (2)4-12(5-14(18)19)17-7-1
    3-11(8-24-25(21,22)23)6-1
    6-10(3)15(13)20/h6,9,12,1
    7,20H,4-5,7-8H2,1-3H3,(H,
    18,19)(H2,21,22,23)/t12-/
    m1/s1;
    YMKBKDGGJWGJOL-GFCCVEGCSA-N    		 CC(C)C[C@H](CC(O)=O)NCc1c(O)c(C)ncc1CO[P
    ](O)(O)=O; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(
    CC(C)C)CC(=O)O)O; O=C(O)CC(NCc1c(cnc(c1O
    )C)COP(=O)(O)O)CC(C)C; CC(C)C[CH](CC(O)=
    O)NCc1c(O)c(C)ncc1CO[P](O)(O)=O; Cc1c(c(
    c(cn1)COP(=O)(O)O)CN[C@H](CC(C)C)CC(=O)O
    )O    		 (3R)-3-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]-5-METHYLHEXANOIC ACID;
    R-3-amino-5-methylhexanoicacid-pyridoxal-5p-phosphate
    32424
    PLL    		 33 C3 H5 Pd InChI=1S/C3H5.Pd/c1-3-2;/
    h3H,1-2H2;;
    WTWGCTVOVPTEEU-UHFFFAOYSA-N    		 [Pd].CCC; C1C2[Pd]1C2; [Pd]21CC1C2 Palladium(II) allyl complex
    32425
    PLM
    CHEMBL82293
    DB03796
    ZINC000006072466    		 82 C16 H32 O2 InChI=1S/C16H32O2/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16(17)18/h2-15H2,1H3
    ,(H,17,18);
    IPCSVZSSVZVIGE-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCC(=O)O; O=C(O)CCCCCCCCCCC
    CCCC; CCCCCCCCCCCCCCCC(O)=O    		 PALMITIC ACID
    32426
    PLO
    CHEMBL253363
    DB02789
    ZINC000003861150    		 7 C21 H32 O2 InChI=1S/C21H32O2/c1-13(2
    2)17-6-7-18-16-5-4-14-12-
    15(23)8-10-20(14,2)19(16)
    9-11-21(17,18)3/h4,15-19,
    23H,5-12H2,1-3H3/t15-,16-
    ,17+,18-,19-,20-,21+/m0/s
    1;
    ORNBQBCIOKFOEO-QGVNFLHTSA-N    		 CC(=O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C
    ]4(C)[CH]3CC[C]12C; CC(=O)C1CCC2C1(CCC3C
    2CC=C4C3(CCC(C4)O)C)C; CC(=O)[C@H]1CC[C@
    @H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[
    C@@H](C4)O)C)C; CC(=O)[C@H]1CC[C@H]2[C@@
    H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]
    12C; O=C(C)C2C1(CCC3C(C1CC2)CC=C4C3(CCC(
    O)C4)C)C    		 (3BETA)-3-HYDROXYPREGN-5-EN-20-ONE;
    PREGNENOLONE
    32427
    PLP
    CHEMBL82202
    DB00114
    ZINC000001532514    		 3547 C8 H10 N O6 P InChI=1S/C8H10NO6P/c1-5-8
    (11)7(3-10)6(2-9-5)4-15-1
    6(12,13)14/h2-3,11H,4H2,1
    H3,(H2,12,13,14);
    NGVDGCNFYWLIFO-UHFFFAOYSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O; Cc1c(c(c
    (cn1)COP(=O)(O)O)C=O)O; O=P(O)(O)OCc1cnc
    (c(O)c1C=O)C    		 PYRIDOXAL-5'-PHOSPHATE;
    VITAMIN B6 Phosphate
    32428
    PLQ
    CHEMBL8320
    ZINC000000895247    		 20 C6 H4 O2 InChI=1S/C6H4O2/c7-5-1-2-
    6(8)4-3-5/h1-4H;
    AZQWKYJCGOJGHM-UHFFFAOYSA-N    		 O=C1C=CC(=O)C=C1; C1=CC(=O)C=CC1=O 1,4-benzoquinone;
    cyclohexa-2,5-diene-1,4-dione;
    QUINONE RING OF THE PLASTOQUINONE 9
    32429
    PLR
    CHEMBL1235333
    ZINC000001656021    		 99 C8 H12 N O5 P InChI=1S/C8H12NO5P/c1-5-7
    (4-14-15(11,12)13)3-9-6(2
    )8(5)10/h3,10H,4H2,1-2H3,
    (H2,11,12,13);
    RBCOYOYDYNXAFA-UHFFFAOYSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C)c1O; O=P(O)(O)O
    Cc1cnc(c(O)c1C)C; Cc1c(cnc(c1O)C)COP(=O)
    (O)O    		 (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
    4'-DEOXYPYRIDOXINE PHOSPHATE
    32430
    PLS
    ZINC000002047254    		 68 C11 H17 N2 O8 P InChI=1S/C11H17N2O8P/c1-6
    -10(15)8(3-13-9(4-14)11(1
    6)17)7(2-12-6)5-21-22(18,
    19)20/h2,9,13-15H,3-5H2,1
    H3,(H,16,17)(H2,18,19,20)
    /t9-/m0/s1;
    ODVKKQWXKRZJLG-VIFPVBQESA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CO)C(=O)O)O
    ; Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C
    (=O)O)O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)
    (O)O)CO; Cc1ncc(CO[P](O)(O)=O)c(CN[CH](C
    O)C(O)=O)c1O; Cc1ncc(CO[P](O)(O)=O)c(CN[
    C@@H](CO)C(O)=O)c1O    		 [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE;
    PYRIDOXYL-SERINE-5-MONOPHOSPHATE
    32431
    PLT
    ZINC000038160238    		 3 C19 H20 N3 O7 P InChI=1S/C19H20N3O7P/c1-1
    1-18(23)15(13(8-20-11)10-
    29-30(26,27)28)9-22-17(19
    (24)25)6-12-7-21-16-5-3-2
    -4-14(12)16/h2-5,7-9,17,2
    1,23H,6,10H2,1H3,(H,24,25
    )(H2,26,27,28)/b22-9+/t17
    -/m0/s1;
    MFRRQHVPLFTBMS-NUYDQDRBSA-N    		 O=P(O)(O)OCc1cnc(c(O)c1/C=N/C(C(=O)O)Cc3
    c2ccccc2nc3)C; Cc1c(c(c(cn1)COP(=O)(O)O)
    C=NC(Cc2c[nH]c3c2cccc3)C(=O)O)O; Cc1c(c(
    c(cn1)COP(=O)(O)O)\C=N\[C@@H](Cc2c[nH]c3
    c2cccc3)C(=O)O)O; Cc1ncc(CO[P](O)(O)=O)c
    (C=N[CH](Cc2c[nH]c3ccccc23)C(O)=O)c1O; C
    c1ncc(CO[P](O)(O)=O)c(C=N[C@@H](Cc2c[nH]
    c3ccccc23)C(O)=O)c1O    		 [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE
    32432
    PLU
    CHEMBL40422
    DB02386
    ZINC000002047807    		 6 C5 H14 N O3 P InChI=1S/C5H14NO3P/c1-4(2
    )3-5(6)10(7,8)9/h4-5H,3,6
    H2,1-2H3,(H2,7,8,9)/t5-/m
    1/s1;
    HGCAUCAWEADMPM-RXMQYKEDSA-N    		 CC(C)C[CH](N)[P](O)(O)=O; CC(C)C[C@H](N)
    P(=O)(O)O; CC(C)CC(N)P(=O)(O)O; CC(C)C[C
    @H](N)[P](O)(O)=O; O=P(O)(O)C(N)CC(C)C    		 LEUCINE PHOSPHONIC ACID
    32433
    PLV
    ZINC000002047394    		 4 C12 H19 N2 O8 P InChI=1S/C12H19N2O8P/c1-7
    -11(15)9(4-14-10(6-21-2)1
    2(16)17)8(3-13-7)5-22-23(
    18,19)20/h3,10,14-15H,4-6
    H2,1-2H3,(H,16,17)(H2,18,
    19,20)/t10-/m0/s1;
    DEHSEGNQBACQEW-JTQLQIEISA-N    		 COC[C@H](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C
    (O)=O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O
    )O)COC; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(COC
    )C(=O)O)O; COC[CH](NCc1c(O)c(C)ncc1CO[P]
    (O)(O)=O)C(O)=O; Cc1c(c(c(cn1)COP(=O)(O)
    O)CN[C@@H](COC)C(=O)O)O    		 N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-O-METHYL-L-SERINE;
    PYRIDOXYL-(O-METHYL-SERINE)-5-MONOPHOSPHATE
    32434
    PLW
    ZINC000098209309    		 0 C10 H18 N4 O2 InChI=1S/C10H18N4O2/c1-4-
    6(2)9(11)8-5-12-13-14(8)7
    (3)10(15)16/h5-7,9H,4,11H
    2,1-3H3,(H,15,16)/t6-,7-,
    9-/m0/s1;
    DLMMPFLEEKGBCE-ZKWXMUAHSA-N    		 CCC(C)C(c1cnnn1C(C)C(=O)O)N; CC[C@H](C)[
    C@H](N)c1cnnn1[C@@H](C)C(O)=O; CC[C@H](C
    )[C@@H](c1cnnn1[C@@H](C)C(=O)O)N; O=C(O)
    C(n1nncc1C(N)C(C)CC)C; CC[CH](C)[CH](N)c
    1cnnn1[CH](C)C(O)=O    		 (2S)-2-[5-(1S,2S)-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID
    32435
    PLX
    ZINC000058638459    		 854 C42 H89 N O8 P InChI=1S/C42H88NO8P/c1-6-
    8-10-12-14-16-18-20-21-23
    -25-27-29-31-33-35-42(45)
    51-40(39-50-52(46,47)49-3
    7-36-43(3,4)5)38-48-41(44
    )34-32-30-28-26-24-22-19-
    17-15-13-11-9-7-2/h40-42,
    44-45H,6-39H2,1-5H3/p+1/t
    40-,41+,42+/m1/s1;
    YVNJQRQLQPWVSQ-IWSHAHEXSA-O    		 CCCCCCCCCCCCCCCCC[C@@H](O)O[C@H](CO[C@H]
    (O)CCCCCCCCCCCCCCC)CO[P@@](O)(=O)OCC[N+]
    (C)(C)C; CCCCCCCCCCCCCCCCCC(O)OC(COC(CCC
    CCCCCCCCCCCC)O)COP(=O)(O)OCC[N+](C)(C)C;
    CCCCCCCCCCCCCCCCC[CH](O)O[CH](CO[CH](O)
    CCCCCCCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C
    )C; O=P(OCC(OC(O)CCCCCCCCCCCCCCCCC)COC(O
    )CCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)O; CCCC
    CCCCCCCCCCCCC[C@@H](O)O[C@H](CO[C@@H](CC
    CCCCCCCCCCCCC)O)CO[P@](=O)(O)OCC[N+](C)(
    C)C    		 (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL
    32436
    PLY    		 0 C16 H32 O InChI=1/C16H32O/c1-2-3-4-
    5-6-7-8-9-10-11-12-13-14-
    15-16-17/h16H,2-15H2,1H3;
    NIOYUNMRJMEDGI-UHFFFAOYAM    		 O=CCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC=O PALMITOYL
    32437
    PLZ
    ZINC000013521244    		 14 C12 H19 N2 O7 P InChI=1S/C12H19N2O7P/c1-8
    -12(17)10(6-13-4-2-3-11(1
    5)16)9(5-14-8)7-21-22(18,
    19)20/h5,13,17H,2-4,6-7H2
    ,1H3,(H,15,16)(H2,18,19,2
    0);
    DOHWOHSLOVXAFH-UHFFFAOYSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCC(=O)O)O;
    Cc1ncc(CO[P](O)(O)=O)c(CNCCCC(O)=O)c1O;
    O=P(O)(O)OCc1cnc(c(O)c1CNCCCC(=O)O)C    		 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID
    32438
    PM0    		 1 C53 H72 O24 InChI=1S/C53H72O24/c1-18-
    29(73-34-14-30(43(58)21(4
    )69-34)74-33-13-28(55)42(
    57)20(3)68-33)12-26-10-25
    -11-27-48(67-9)47(62)38(1
    9(2)54)50(64)53(27,51(65)
    40(25)46(61)39(26)41(18)5
    6)77-36-16-32(45(60)23(6)
    71-36)75-35-15-31(44(59)2
    2(5)70-35)76-37-17-52(8,6
    6)49(63)24(7)72-37/h10,12
    ,20-24,27-28,30-37,42-45,
    48-49,55-63,66H,11,13-17H
    2,1-9H3/t20-,21-,22-,23-,
    24-,27+,28-,30-,31-,32-,3
    3+,34+,35+,36+,37+,42-,43
    -,44+,45-,48+,49-,52+,53-
    /m1/s1;
    HCTADUCAPFYREF-OFWAWROCSA-N    		 Cc1c(cc2cc3c(c(c2c1O)O)C(=O)C4(C(C3)C(C(
    =C(C4=O)C(=O)C)O)OC)OC5CC(C(C(O5)C)O)OC6
    CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)(C)O)OC8C
    C(C(C(O8)C)O)OC9CC(C(C(O9)C)O)O; Cc1c(cc
    2cc3c(c(c2c1O)O)C(=O)[C@]4([C@@H](C3)[C@
    @H](C(=C(C4=O)C(=O)C)O)OC)O[C@H]5C[C@H](
    [C@@H]([C@H](O5)C)O)O[C@H]6C[C@H]([C@H](
    [C@H](O6)C)O)O[C@H]7C[C@]([C@@H]([C@H](O
    7)C)O)(C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8
    )C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O
    ; CO[CH]1[CH]2Cc3cc4cc(O[CH]5C[CH](O[CH]
    6C[CH](O)[CH](O)[CH](C)O6)[CH](O)[CH](C)
    O5)c(C)c(O)c4c(O)c3C(=O)[C]2(O[CH]7C[CH]
    (O[CH]8C[CH](O[CH]9C[C](C)(O)[CH](O)[CH]
    (C)O9)[CH](O)[CH](C)O8)[CH](O)[CH](C)O7)
    C(=O)C(=C1O)C(C)=O; CO[C@H]1[C@@H]2Cc3cc
    4cc(O[C@H]5C[C@@H](O[C@H]6C[C@@H](O)[C@H
    ](O)[C@@H](C)O6)[C@H](O)[C@@H](C)O5)c(C)
    c(O)c4c(O)c3C(=O)[C@]2(O[C@H]7C[C@@H](O[
    C@H]8C[C@@H](O[C@H]9C[C@](C)(O)[C@H](O)[
    C@@H](C)O9)[C@@H](O)[C@@H](C)O8)[C@H](O)
    [C@@H](C)O7)C(=O)C(=C1O)C(C)=O; O=C8c4c(
    cc3cc(OC2OC(C)C(O)C(OC1OC(C)C(O)C(O)C1)C
    2)c(c(O)c3c4O)C)CC9C8(OC7OC(C(O)C(OC6OC(
    C)C(O)C(OC5OC(C)C(O)C(O)(C)C5)C6)C7)C)C(
    =O)C(C(=O)C)=C(O)C9OC    		 premithramycin B;
    (1S,4aS,12aS)-3-acetyl-9-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy} -2,6,7-trihydroxy-1-methoxy-8-methyl-4,5-dioxo-1,5,12,12a-tetrahydrotetracen-4a(4H)-yl 2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D- arabino-hexopyranoside
    32439
    PM1
    CHEMBL189607
    DB04006    		 1 C21 H13 F2 N3 O2 InChI=1S/C21H13F2N3O2/c22
    -14-7-4-8-15(23)17(14)19(
    27)13-9-10-16-25-21(24)18
    (26(16)11-13)20(28)12-5-2
    -1-3-6-12/h1-11H,24H2;
    WUGJIPFLBOATGL-UHFFFAOYSA-N    		 Fc1cccc(F)c1C(=O)c2ccc3nc(c(n3c2)C(=O)c4
    ccccc4)N; c1ccc(cc1)C(=O)c2c(nc3n2cc(cc3
    )C(=O)c4c(cccc4F)F)N; Nc1nc2ccc(cn2c1C(=
    O)c3ccccc3)C(=O)c4c(F)cccc4F    		 [2-AMINO-6-(2,6-DIFLUORO-BENZOYL)-IMIDAZO[1,2-A]PYRIDIN-3-YL]-PHENYL-METHANONE
    32440
    PM2
    DB04764
    ZINC000012080875    		 6 C26 H29 N3 O InChI=1S/C26H29N3O/c27-17
    -21-7-4-8-24(15-21)23-11-
    13-29(14-12-23)26(30)25-1
    6-22(18-28-19-25)10-9-20-
    5-2-1-3-6-20/h1-8,15-16,1
    8-19,23H,9-14,17,27H2;
    CCLHROFBSWWOQO-UHFFFAOYSA-N    		 O=C(c1cc(cnc1)CCc2ccccc2)N4CCC(c3cccc(c3
    )CN)CC4; c1ccc(cc1)CCc2cc(cnc2)C(=O)N3CC
    C(CC3)c4cccc(c4)CN; NCc1cccc(c1)C2CCN(CC
    2)C(=O)c3cncc(CCc4ccccc4)c3    		 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE;
    [4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE
    32441
    PM3
    ZINC000001550959    		 0 C10 H14 N O5 P InChI=1S/C10H14NO5P/c11-9
    (10(12)13)5-7-1-3-8(4-2-7
    )6-17(14,15)16/h1-4,9H,5-
    6,11H2,(H,12,13)(H2,14,15
    ,16)/t9-/m0/s1;
    SAQLLHDEEMZENJ-VIFPVBQESA-N    		 O=C(O)C(N)Cc1ccc(cc1)CP(=O)(O)O; c1cc(cc
    c1CC(C(=O)O)N)CP(=O)(O)O; c1cc(ccc1C[C@@
    H](C(=O)O)N)CP(=O)(O)O; N[CH](Cc1ccc(C[P
    ](O)(O)=O)cc1)C(O)=O; N[C@@H](Cc1ccc(C[P
    ](O)(O)=O)cc1)C(O)=O    		 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-PROPIONIC ACID
    32442
    PM4
    DB08404
    ZINC000053683128    		 2 C17 H33 N2 O7 P S InChI=1S/C17H33N2O7PS/c1-
    4-5-6-7-14(21)28-11-10-18
    -13(20)8-9-19-16(23)15(22
    )17(2,3)12-26-27(24)25/h1
    5,22,27H,4-12H2,1-3H3,(H,
    18,20)(H,19,23)(H,24,25)/
    t15-/m0/s1;
    RXYQLYCKZTXHTF-HNNXBMFYSA-N    		 CCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(
    =O)O)O; CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H
    ](C(C)(C)CO[P@H](=O)O)O; CCCCCC(=O)SCCNC
    (=O)CCNC(=O)[C@H](O)C(C)(C)CO[PH](O)=O;
    CCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C
    )CO[PH](O)=O; O=C(SCCNC(=O)CCNC(=O)C(O)C
    (C)(C)COP(=O)O)CCCCC    		 S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEXANETHIOATE
    32443
    PM5
    DB08405
    ZINC000053683133    		 2 C18 H35 N2 O7 P S InChI=1S/C18H35N2O7PS/c1-
    4-5-6-7-8-15(22)29-12-11-
    19-14(21)9-10-20-17(24)16
    (23)18(2,3)13-27-28(25)26
    /h16,23,28H,4-13H2,1-3H3,
    (H,19,21)(H,20,24)(H,25,2
    6)/t16-/m0/s1;
    IPSBILXXAVXCDA-INIZCTEOSA-N    		 CCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP
    (=O)O)O; CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@
    @H](C(C)(C)CO[P@H](=O)O)O; O=C(SCCNC(=O)
    CCNC(=O)C(O)C(C)(C)COP(=O)O)CCCCCC; CCCC
    CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)C
    O[PH](O)=O; CCCCCCC(=O)SCCNC(=O)CCNC(=O)
    [CH](O)C(C)(C)CO[PH](O)=O    		 S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEPTANETHIOATE
    32444
    PM6
    CHEMBL1425
    DB01033
    ZINC000004658290    		 6 C5 H4 N4 S InChI=1S/C5H4N4S/c10-5-3-
    4(7-1-6-3)8-2-9-5/h1-2H,(
    H2,6,7,8,9,10);
    GLVAUDGFNGKCSF-UHFFFAOYSA-N    		 c1[nH]c2c(n1)c(ncn2)S; Sc1ncnc2[nH]cnc12
    ; n2c1c(ncn1)c(nc2)S    		 9H-purine-6-thiol;
    6-Mercaptopurine
    32445
    PM7
    CHEMBL461324
    ZINC000040392159    		 14 C21 H25 N3 O InChI=1S/C21H25N3O/c1-19(
    2)16-11-21-8-5-9-24(21)12
    -20(16,23-18(21)25)10-14-
    13-6-3-4-7-15(13)22-17(14
    )19/h3-4,6-7,16,22H,5,8-1
    2H2,1-2H3,(H,23,25)/t16-,
    20+,21-/m0/s1;
    LBTZXCFDJFHPMI-DQLDELGASA-N    		 CC1(C)[C@@H]2C[C@]34CCCN3C[C@@]2(Cc5c1[n
    H]c6ccccc56)NC4=O; N2C(=O)C61CCCN1CC23C(
    C(c5c(C3)c4c(cccc4)n5)(C)C)C6; CC1(C)[CH
    ]2C[C]34CCCN3C[C]2(Cc5c1[nH]c6ccccc56)NC
    4=O; CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1
    C[C@@]6(CCCN6C4)C(=O)N5)C; CC1(c2c(c3ccc
    cc3[nH]2)CC45C1CC6(CCCN6C4)C(=O)N5)C    		 (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one;
    premalbrancheamide E
    32446
    PM8
    ZINC000058660945    		 15 C21 H41 N2 O7 P S InChI=1S/C21H41N2O7PS/c1-
    4-5-6-7-8-9-10-11-18(25)3
    2-15-14-22-17(24)12-13-23
    -20(27)19(26)21(2,3)16-30
    -31(28)29/h19,26,31H,4-16
    H2,1-3H3,(H,22,24)(H,23,2
    7)(H,28,29)/t19-/m0/s1;
    BPRKYNVKIAROET-IBGZPJMESA-N    		 CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C
    (C)(C)CO[PH](O)=O; O=C(SCCNC(=O)CCNC(=O)
    C(O)C(C)(C)COP(=O)O)CCCCCCCCC; CCCCCCCCC
    C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)O)
    O; CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H]
    (C(C)(C)CO[P@H](=O)O)O; CCCCCCCCCC(=O)SC
    CNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[PH](O)=O    		 S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) DECANETHIOATE
    32447
    PM9
    ZINC000058638491    		 2 C13 H19 N2 O7 P S InChI=1S/C13H19N2O7PS/c1-
    8-12(16)10(6-15-11(13(17)
    18)3-4-24-2)9(5-14-8)7-22
    -23(19,20)21/h5-6,14,16H,
    3-4,7H2,1-2H3,(H,17,18)(H
    2,19,20,21)/b10-6-,15-11+;
    UNHRYMFMFMQCNK-JNVWRRHBSA-N    		 CC1=C(/C(=C\N=C(/CCSC)\C(=O)O)/C(=CN1)CO
    P(=O)(O)O)O; CSCCC(=NC=C1C(=C(C)NC=C1CO[
    P](O)(O)=O)O)C(O)=O; CC1=C(C(=CN=C(CCSC)
    C(=O)O)C(=CN1)COP(=O)(O)O)O; CSCCC(=N\C=
    C1/C(=C(C)NC=C1CO[P](O)(O)=O)O)C(O)=O; O
    =C(O)/C(=N/C=C1\C(O)=C(NC=C1COP(=O)(O)O)
    C)CCSC    		 (2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4(1H)-YLIDENE}METHYL]IMINO}-4-(METHYLSULFANYL)BUTANOIC ACID
    32448
    PMA
    CHEMBL1235346
    DB02749
    ZINC000000391925    		 2 C10 H6 O8 InChI=1S/C10H6O8/c11-7(12
    )3-1-4(8(13)14)6(10(17)18
    )2-5(3)9(15)16/h1-2H,(H,1
    1,12)(H,13,14)(H,15,16)(H
    ,17,18);
    CYIDZMCFTVVTJO-UHFFFAOYSA-N    		 OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(O)=O; O=
    C(O)c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O; c1c(
    c(cc(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O    		 PYROMELLITIC ACID
    32449
    PMB
    DB02983    		 14 C6 H5 Hg O3 S InChI=1S/C6H5O3S.Hg/c7-10
    (8,9)6-4-2-1-3-5-6;/h2-5H
    ,(H,7,8,9);;
    KQAOIKIZSJJTII-UHFFFAOYSA-N    		 c1cc(ccc1S(=O)(=O)O)[Hg]; O[S](=O)(=O)c1
    ccc([Hg])cc1; [Hg]c1ccc(cc1)S(=O)(=O)O    		 PARA-MERCURY-BENZENESULFONIC ACID
    32450
    PMC
    CHEMBL354773
    DB04406    		 24 C7 H8 N O5 P InChI=1S/C7H8NO5P/c9-7(10
    )6-5(2-1-3-8-6)4-14(11,12
    )13/h1-3H,4H2,(H,9,10)(H2
    ,11,12,13);
    ROSWJUKEABEPFJ-UHFFFAOYSA-N    		 OC(=O)c1ncccc1C[P](O)(O)=O; O=C(O)c1nccc
    c1CP(=O)(O)O; c1cc(c(nc1)C(=O)O)CP(=O)(O
    )O    		 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID
    32451
    PMD
    CHEMBL301769
    DB08406
    ZINC000002043425    		 1 C21 H17 N7 InChI=1S/C21H17N7/c22-19-
    18-20(27-21(23)26-19)24-1
    1-15(25-18)12-28-16-7-3-1
    -5-13(16)9-10-14-6-2-4-8-
    17(14)28/h1-11H,12H2,(H4,
    22,23,24,26,27);
    NXCCIJQEAKMFGW-UHFFFAOYSA-N    		 n1cc(nc2c1nc(nc2N)N)CN5c3ccccc3C=Cc4c5cc
    cc4; c1ccc2c(c1)C=Cc3ccccc3N2Cc4cnc5c(n4
    )c(nc(n5)N)N; Nc1nc(N)c2nc(CN3c4ccccc4C=
    Cc5ccccc35)cnc2n1    		 [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE
    32452
    PME
    CHEMBL171679
    DB00168
    ZINC000001532132    		 4 C14 H18 N2 O5 InChI=1S/C14H18N2O5/c1-21
    -14(20)11(7-9-5-3-2-4-6-9
    )16-13(19)10(15)8-12(17)1
    8/h2-6,10-11H,7-8,15H2,1H
    3,(H,16,19)(H,17,18)/t10-
    ,11-/m0/s1;
    IAOZJIPTCAWIRG-QWRGUYRKSA-N    		 COC(=O)[CH](Cc1ccccc1)NC(=O)[CH](N)CC(O)
    =O; COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](
    N)CC(O)=O; COC(=O)C(Cc1ccccc1)NC(=O)C(CC
    (=O)O)N; O=C(O)CC(N)C(=O)NC(C(=O)OC)Cc1c
    cccc1; COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H
    ](CC(=O)O)N    		 N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-METHYL ESTER;
    ASPARTAME
    32453
    PMF
    CHEMBL190503
    ZINC000008220691    		 3 C7 H7 F O2 S InChI=1S/C7H7FO2S/c8-11(9
    ,10)6-7-4-2-1-3-5-7/h1-5H
    ,6H2;
    YBYRMVIVWMBXKQ-UHFFFAOYSA-N    		 c1ccc(cc1)CS(=O)(=O)F; FS(=O)(=O)Cc1cccc
    c1    		 PHENYLMETHYLSULFONYL FLUORIDE;
    PMSF
    32454
    PMG
    DB04765
    ZINC000012504501    		 4 C14 H21 N2 O9 P InChI=1S/C14H21N2O9P/c1-8
    -12(19)10(9(5-15-8)7-25-2
    6(22,23)24)6-16-14(2,13(2
    0)21)4-3-11(17)18/h5,16,1
    9H,3-4,6-7H2,1-2H3,(H,17,
    18)(H,20,21)(H2,22,23,24)
    /t14-/m0/s1;
    CNIVMJHNGQZEAY-AWEZNQCLSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(CN[C@@](C)(CCC(O)
    =O)C(O)=O)c1O; Cc1ncc(CO[P](O)(O)=O)c(CN
    [C](C)(CCC(O)=O)C(O)=O)c1O; Cc1c(c(c(cn1
    )COP(=O)(O)O)CN[C@@](C)(CCC(=O)O)C(=O)O)
    O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)(
    C)CCC(=O)O; Cc1c(c(c(cn1)COP(=O)(O)O)CNC
    (C)(CCC(=O)O)C(=O)O)O    		 N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-2-METHYL-L-GLUTAMIC ACID;
    N-PYRIDOXYL-2-METHYL-L-GLUTAMIC ACID-5'-MONOPHOSPHATE
    32455
    PMH
    DB03097
    ZINC000002046808    		 8 C11 H14 N3 O7 P InChI=1S/C11H14N3O7P/c1-6
    -10(15)8(3-13-9-5-20-14-1
    1(9)16)7(2-12-6)4-21-22(1
    7,18)19/h2,5,13,15H,3-4H2
    ,1H3,(H,14,16)(H2,17,18,1
    9);
    PXWFNGNWQUPGPJ-UHFFFAOYSA-N    		 O=P(O)(O)OCc1c(c(O)c(nc1)C)CNc2conc2O; C
    c1c(c(c(cn1)COP(=O)(O)O)CNc2conc2O)O; Cc
    1ncc(CO[P](O)(O)=O)c(CNc2conc2O)c1O    		 (5-HYDROXY-4-{[(3-HYDROXYISOXAZOL-4-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
    PMP-HYDROXYISOXAZOLE;
    PYRIDOXAMINE-5-PHOSPHATE-HYDROXYISOXAZOLE
    32456
    PMI
    ZINC000013525586    		 16 C9 H12 N O3 P InChI=1S/C9H12NO3P/c10-9(
    14(11,12)13)5-7-3-1-2-4-8
    (7)6-9/h1-4H,5-6,10H2,(H2
    ,11,12,13);
    YJFRDRWPYDVEIH-UHFFFAOYSA-N    		 NC1(Cc2ccccc2C1)[P](O)(O)=O; O=P(O)(O)C2
    (N)Cc1ccccc1C2; c1ccc2c(c1)CC(C2)(N)P(=O
    )(O)O    		 (2-AMINO-2,3-DIHYDRO-1H-INDEN-2-YL)PHOSPHONIC ACID;
    2-AMINOINDAN-2-PHOSPHONIC ACID
    32457
    PMJ
    CHEMBL1809211
    ZINC000003925356    		 4 C23 H32 N8 O4 S InChI=1S/C23H32N8O4S/c24-
    21(25)18-10-8-16(9-11-18)
    13-29-20(32)14-30-22(33)1
    9(7-4-12-28-23(26)27)31-3
    6(34,35)15-17-5-2-1-3-6-1
    7/h1-3,5-6,8-11,19,31H,4,
    7,12-15H2,(H3,24,25)(H,29
    ,32)(H,30,33)(H4,26,27,28
    )/t19-/m1/s1;
    MVMUALCRWZYTQR-LJQANCHMSA-N    		 NC(=N)NCCC[C@@H](N[S](=O)(=O)Cc1ccccc1)C
    (=O)NCC(=O)NCc2ccc(cc2)C(N)=N; c1ccc(cc1
    )CS(=O)(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NCc
    2ccc(cc2)C(=N)N; NC(=N)NCCC[CH](N[S](=O)
    (=O)Cc1ccccc1)C(=O)NCC(=O)NCc2ccc(cc2)C(
    N)=N; [H]/N=C(/c1ccc(cc1)CNC(=O)CNC(=O)[
    C@@H](CCCN/C(=N/[H])/N)NS(=O)(=O)Cc2cccc
    c2)\\N; O=S(=O)(NC(C(=O)NCC(=O)NCc1ccc(C
    (=[N@H])N)cc1)CCCNC(=[N@H])N)Cc2ccccc2    		 N~2~-(benzylsulfonyl)-D-arginyl-N-(4-carbamimidoylbenzyl)glycinamide
    32458
    PMK
    ZINC000213029846    		 1 C32 H67 O4 P InChI=1S/C32H67O4P/c1-7-8
    -9-10-11-17-28(2)18-12-19
    -29(3)20-13-21-30(4)22-14
    -23-31(5)24-15-25-32(6)26
    -16-27-36-37(33,34)35/h28
    -32H,7-27H2,1-6H3,(H2,33,
    34,35)/t28-,29+,30+,31+,3
    2-/m1/s1;
    WLNOCCJMGSEDAT-GCIGRYLYSA-N    		 CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C
    CCOP(=O)(O)O; O=P(OCCCC(CCCC(C)CCCC(C)CC
    CC(C)CCCC(C)CCCCCCC)C)(O)O; CCCCCCC[CH](
    C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](
    C)CCCO[P](O)(O)=O; CCCCCCC[C@@H](C)CCC[C
    @H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)
    CCCOP(=O)(O)O; CCCCCCC[C@@H](C)CCC[C@H](
    C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCO
    [P](O)(O)=O    		 (4R,8S,16S,20R)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate
    32459
    PML
    CHEMBL1235351
    DB01856
    ZINC000001529489    		 11 C7 H12 O4 InChI=1S/C7H12O4/c8-6(9)4
    -2-1-3-5-7(10)11/h1-5H2,(
    H,8,9)(H,10,11);
    WLJVNTCWHIRURA-UHFFFAOYSA-N    		 OC(=O)CCCCCC(O)=O; O=C(O)CCCCCC(=O)O; C(
    CCC(=O)O)CCC(=O)O    		 PIMELIC ACID
    32460
    PMM
    CHEMBL1159902
    DB03592
    ZINC000005973848    		 9 C7 H8 N5 O5 P InChI=1S/C7H8N5O5P/c8-7-1
    1-5-4(6(13)12-7)10-3(1-9-
    5)2-17-18(14,15)16/h1H,2H
    2,(H2,14,15,16)(H3,8,9,11
    ,12,13);
    AJXFJEHKGGCFNM-UHFFFAOYSA-N    		 NC1=Nc2ncc(CO[P](O)(O)=O)nc2C(=O)N1; c1c
    (nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O; O=P(O)
    (O)OCc1nc2C(=O)NC(=Nc2nc1)N    		 PTERIN-6-YL-METHYL-MONOPHOSPHATE
    32461
    PMN
    CHEMBL411278
    DB08407
    ZINC000029050726    		 4 C24 H27 N O7 InChI=1S/C24H27NO7/c1-22(
    7-6-17(28)25-18-14(26)4-3
    -13(19(18)29)21(30)31)16(
    27)5-8-24-10-12-9-15(20(2
    2)24)32-23(12,2)11-24/h3-
    5,8,12,15,20,26,29H,6-7,9
    -11H2,1-2H3,(H,25,28)(H,3
    0,31)/t12-,15+,20+,22-,23
    +,24+/m1/s1;
    CSOMAHTTWTVBFL-OFBLZTNGSA-N    		 C[C]12C[C]34C[CH]1C[CH](O2)[CH]3[C](C)(C
    CC(=O)Nc5c(O)ccc(C(O)=O)c5O)C(=O)C=C4; C
    [C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C
    (=O)C=C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O
    )O2; CC12CC34CC1CC(C3C(C(=O)C=C4)(C)CCC(
    =O)Nc5c(ccc(c5O)C(=O)O)O)O2; O=C(O)c1c(O
    )c(c(O)cc1)NC(=O)CCC4(C(=O)C=CC53CC2(OC(
    CC2C3)C45)C)C; C[C@]12C[C@]34C[C@H]1C[C@
    H](O2)[C@H]3[C@](C)(CCC(=O)Nc5c(O)ccc(C(
    O)=O)c5O)C(=O)C=C4    		 PLATENSIMYCIN
    32462
    PMO
    DB04176
    ZINC000005889652    		 1 C13 H17 N2 O8 P InChI=1S/C13H17N2O8P/c1-2
    1-7-2-3-9-8(4-7)14-6-15(9
    )13-12(17)11(16)10(23-13)
    5-22-24(18,19)20/h2-4,6,1
    0-13,16-17H,5H2,1H3,(H2,1
    8,19,20)/t10-,11-,12-,13+
    /m1/s1;
    VYUPJUKSTVHSQI-LPWJVIDDSA-N    		 O=P(O)(O)OCC3OC(n2cnc1cc(OC)ccc12)C(O)C3
    O; COc1ccc2c(c1)ncn2C3C(C(C(O3)COP(=O)(O
    )O)O)O; COc1ccc2n(cnc2c1)[CH]3O[CH](CO[P
    ](O)(O)=O)[CH](O)[CH]3O; COc1ccc2c(c1)nc
    n2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(
    O)O)O)O; COc1ccc2n(cnc2c1)[C@H]3O[C@H](C
    O[P](O)(O)=O)[C@@H](O)[C@H]3O    		 N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-METHOXYBENZIMIDAZOLE;
    PHOSPORIC ACID MONO-[3,4-DIHYDROXY-5-(5-METHOXY-BENZOIMIDAZOL-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER
    32463
    PMP
    CHEMBL1235353
    DB02142
    ZINC000001532708    		 316 C8 H13 N2 O5 P InChI=1S/C8H13N2O5P/c1-5-
    8(11)7(2-9)6(3-10-5)4-15-
    16(12,13)14/h3,11H,2,4,9H
    2,1H3,(H2,12,13,14);
    ZMJGSOSNSPKHNH-UHFFFAOYSA-N    		 O=P(O)(O)OCc1cnc(c(O)c1CN)C; Cc1c(c(c(cn
    1)COP(=O)(O)O)CN)O; Cc1ncc(CO[P](O)(O)=O
    )c(CN)c1O    		 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
    PYRIDOXAMINE-5'-PHOSPHATE
    32464
    PMQ
    ZINC000011535717    		 2 C8 H9 N O2 InChI=1S/C8H9NO2/c10-8(11
    )9-6-7-4-2-1-3-5-7/h1-5,9
    H,6H2,(H,10,11);
    RRIWSQXXBIFKQM-UHFFFAOYSA-N    		 OC(=O)NCc1ccccc1; c1ccc(cc1)CNC(=O)O; O=
    C(O)NCc1ccccc1    		 benzylcarbamic acid
    32465
    PMR    		 54 C35 H32 Mg N4 O5 InChI=1S/C35H34N4O5.Mg/c1
    -8-19-15(3)22-12-24-17(5)
    21(10-11-28(40)41)32(38-2
    4)30-31(35(43)44-7)34(42)
    29-18(6)25(39-33(29)30)14
    -27-20(9-2)16(4)23(37-27)
    13-26(19)36-22;/h8,12-14,
    31H,1,9-11H2,2-7H3,(H3,36
    ,37,38,39,40,41,42);/q;+4
    /p-2/b22-12-,23-13-,24-12
    -,25-14-,26-13-,27-14-,32
    -30-;/t31-;/m1./s1;
    ZHFORNQMLKGQNN-KKNVGXODSA-L    		 CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8
    c(c9[n+]6c(c4)C(=C9CCC(=O)O)C)C(C(=O)c8c
    7C)C(=O)OC)C)C=C)C; CCC1=C(c2cc3c(c(c4n3
    [Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(=C9C
    CC(=O)O)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C
    )C; CCC1=C(C)C2=[N+]3C1=Cc4n5c6C(=C7C(=C
    (C)C8=[N+]7[Mg]35[N]9C(=C8)C(=C(C=C)C9=C
    2)C)CCC(O)=O)[CH](C(=O)OC)C(=O)c6c4C; CC
    C1=C(C)C2=[N@+]3C1=Cc4n5c6C(=C7C(=C(C)C8
    =[N@+]7[Mg]35[N@]9C(=C8)C(=C(C=C)C9=C2)C
    )CCC(O)=O)[C@@H](C(=O)OC)C(=O)c6c4C    		 Protochlorophyllide
    32466
    PMS
    CHEMBL1171433
    DB03297
    ZINC000001593155    		 0 C7 H8 O3 S InChI=1S/C7H8O3S/c8-11(9,
    10)6-7-4-2-1-3-5-7/h1-5H,
    6H2,(H,8,9,10);
    NIXKBAZVOQAHGC-UHFFFAOYSA-N    		 c1ccc(cc1)CS(=O)(=O)O; O=S(=O)(O)Cc1cccc
    c1; O[S](=O)(=O)Cc1ccccc1    		 phenylmethanesulfonic acid
    32467
    PMT
    ZINC000016051552    		 5 C18 H30 N4 O15 P2 InChI=1S/C18H30N4O15P2/c1
    -18(2,8-35-38(29,30)31)14
    (26)15(27)20-5-3-11(23)37
    -39(32,33)34-7-9-12(24)13
    (25)16(36-9)22-6-4-10(19)
    21-17(22)28/h4,6,9,12-14,
    16,24-26H,3,5,7-8H2,1-2H3
    ,(H,20,27)(H,32,33)(H2,19
    ,21,28)(H2,29,30,31)/t9-,
    12-,13-,14+,16-/m1/s1;
    JURRMAHLXBVXRF-FIEZRUJPSA-N    		 CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)
    O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2
    C=CC(=NC2=O)N; CC(C)(COP(=O)(O)O)[C@H](C
    (=O)NCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H](
    [C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O; C
    C(C)(CO[P](O)(O)=O)[C@@H](O)C(=O)NCCC(=O
    )O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@
    H]1O)N2C=CC(=NC2=O)N; O=P(O)(O)OCC(C)(C)
    C(O)C(=O)NCCC(=O)OP(=O)(O)OCC2OC(N1C(=O)
    N=C(N)C=C1)C(O)C2O; CC(C)(COP(=O)(O)O)C(
    C(=O)NCCC(=O)OP(=O)(O)OCC1C(C(C(O1)N2C=C
    C(=NC2=O)N)O)O)O    		 PHOSPHORIC ACID MONO-[3-(3-{[5-(4-AMINO-2-OXO-2H-PYRIMIDIN-1-YL)-3,4- DIHYDROXY-TETRAHYDRO-FURAN-2- YLMETHOXY]-HYDROXY-PHOSPHORYLOXY}-3-OXO-PROPYLCARBAMOYL)-3-HYDROXY-2,2- DIMETHYL-PROPYL] ESTER;
    4'-PHOSPHOPANTOTHENOYL- CYTIDINE-5'-MONOPHOSPHATE
    32468
    PMU
    CHEMBL1800452
    ZINC000072109034    		 1 C17 H22 N4 O3 InChI=1S/C17H22N4O3/c1-9(
    2)12-6-13(20-17(18)19-12)
    11-5-10(3-4-14(11)22)21-7
    -15(23)16(24)8-21/h3-6,9,
    15-16,22-24H,7-8H2,1-2H3,
    (H2,18,19,20)/t15-,16-/m0
    /s1;
    VIUGBRHEHAGOFV-HOTGVXAUSA-N    		 CC(C)c1cc(nc(n1)N)c2cc(ccc2O)N3CC(C(C3)O
    )O; CC(C)c1cc(nc(N)n1)c2cc(ccc2O)N3C[C@H
    ](O)[C@@H](O)C3; CC(C)c1cc(nc(N)n1)c2cc(
    ccc2O)N3C[CH](O)[CH](O)C3; CC(C)c1cc(nc(
    n1)N)c2cc(ccc2O)N3C[C@@H]([C@H](C3)O)O;
    n1c(cc(nc1N)c2c(O)ccc(c2)N3CC(O)C(O)C3)C
    (C)C    		 (3S,4S)-1-{3-[2-amino-6-(propan-2-yl)pyrimidin-4-yl]-4-hydroxyphenyl}pyrrolidine-3,4-diol
    32469
    PMV
    ZINC000001532853    		 11 C6 H13 O7 P InChI=1S/C6H13O7P/c1-6(9,
    4-5(7)8)2-3-13-14(10,11)1
    2/h9H,2-4H2,1H3,(H,7,8)(H
    2,10,11,12)/t6-/m1/s1;
    OKZYCXHTTZZYSK-ZCFIWIBFSA-N    		 CC(CCOP(=O)(O)O)(CC(=O)O)O; C[C](O)(CCO[
    P](O)(O)=O)CC(O)=O; C[C@@](O)(CCO[P](O)(
    O)=O)CC(O)=O; C[C@@](CCOP(=O)(O)O)(CC(=O
    )O)O; O=P(O)(O)OCCC(O)(C)CC(=O)O    		 (3R)-3-HYDROXY-3-METHYL-5-(PHOSPHONOOXY)PENTANOIC ACID;
    PHOSPHOMEVALONATE
    32470
    PMW
    CHEMBL5075205    		 2 C22 H23 Cl N4 O2 S InChI=1S/C22H23ClN4O2S/c1
    -6-16(22(28)29-5)19-20-26
    -25-13(4)27(20)21-17(11(2
    )12(3)30-21)18(24-19)14-7
    -9-15(23)10-8-14/h7-10,16
    ,19H,6H2,1-5H3/t16-,19+/m
    1/s1;
    WLKVOOMXHSBIOW-APWZRJJASA-N    		 CC[C@H]([C@H]1c2nnc(n2-c3c(c(c(s3)C)C)C(
    =N1)c4ccc(cc4)Cl)C)C(=O)OC; CC[CH]([CH]1
    N=C(c2ccc(Cl)cc2)c3c(C)c(C)sc3n4c(C)nnc1
    4)C(=O)OC; CCC(C1c2nnc(n2-c3c(c(c(s3)C)C
    )C(=N1)c4ccc(cc4)Cl)C)C(=O)OC; CC[C@H]([
    C@@H]1N=C(c2ccc(Cl)cc2)c3c(C)c(C)sc3n4c(
    C)nnc14)C(=O)OC    		 methyl (2R)-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate
    32471
    PMX
    CHEMBL463134
    ZINC000013347539    		 1 C14 H14 Cl N O6 InChI=1S/C14H14ClNO6/c1-2
    2-13(19)5-4-12(18)16-10(1
    4(20)21)7-8-2-3-11(17)9(1
    5)6-8/h2-6,10,17H,7H2,1H3
    ,(H,16,18)(H,20,21)/b5-4+
    /t10-/m0/s1;
    KCOKHEIACSQLBQ-YEZKRMTDSA-N    		 COC(=O)C=CC(=O)N[CH](Cc1ccc(O)c(Cl)c1)C(
    O)=O; Clc1cc(ccc1O)CC(C(=O)O)NC(=O)\C=C\
    C(=O)OC; COC(=O)C=CC(=O)NC(Cc1ccc(c(c1)C
    l)O)C(=O)O; COC(=O)\C=C\C(=O)N[C@@H](Cc1
    ccc(O)c(Cl)c1)C(O)=O; COC(=O)/C=C/C(=O)N
    [C@@H](Cc1ccc(c(c1)Cl)O)C(=O)O    		 3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine;
    (+)-Xylariamide A
    32472
    PMY    		 0 C48 H67 N17 O10 S2 InChI=1S/C48H67N17O10S2/c
    1-22-35(62-42(65-40(22)51
    )29(16-33(50)67)57-17-28(
    49)41(52)70)46(74)64-37(3
    9(69)30-18-53-21-58-30)47
    (75)59-25(4)38(68)23(2)43
    (71)63-36(26(5)66)45(73)5
    6-15-12-34-60-32(20-76-34
    )48-61-31(19-77-48)44(72)
    55-14-9-13-54-24(3)27-10-
    7-6-8-11-27/h6-8,10-11,18
    -21,23-26,28-29,36-39,54,
    57,66,68-69H,9,12-17,49H2
    ,1-5H3,(H2,50,67)(H2,52,7
    0)(H,53,58)(H,55,72)(H,56
    ,73)(H,59,75)(H,63,71)(H,
    64,74)(H2,51,62,65)/t23-,
    24-,25+,26+,28-,29-,36-,3
    7-,38-,39-/m0/s1;
    RTKDONJKKYUNIT-HJVYYLMSSA-N    		 O=C(N)C(N)CNC(c1nc(N)c(c(n1)C(=O)NC(C(=O
    )NC(C)C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c4n
    c(C(=O)NCCCNC(c3ccccc3)C)cs4)C(O)C)C)C(O
    )c5ncnc5)C)CC(=O)N; Cc1c(nc(nc1N)C(CC(=O
    )N)NCC(C(=O)N)N)C(=O)NC(C(c2c[nH]cn2)O)C
    (=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCc3n
    c(cs3)c4nc(cs4)C(=O)NCCCNC(C)c5ccccc5)O;
    C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)
    [C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1
    C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@H](
    O)c2c[nH]cn2)C(=O)NCCc3scc(n3)c4scc(n4)C
    (=O)NCCCN[C@@H](C)c5ccccc5; C[CH](O)[CH]
    (NC(=O)[CH](C)[CH](O)[CH](C)NC(=O)[CH](N
    C(=O)c1nc(nc(N)c1C)[CH](CC(N)=O)NC[CH](N
    )C(N)=O)[CH](O)c2c[nH]cn2)C(=O)NCCc3scc(
    n3)c4scc(n4)C(=O)NCCCN[CH](C)c5ccccc5; C
    c1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)
    N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O)C(=O
    )N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@
    @H](C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)N
    CCCN[C@@H](C)c5ccccc5)O    		 AGLYCON OF PEPLOMYCIN;
    AGLYCON OF (S)-N1-[3-[(1-PHENYLETHYL)AMINO]-PROPYL]BLEOMYCINAMIDE
    32473
    PMZ
    CHEMBL39560
    DB01614
    ZINC000000057198    		 0 C19 H22 N2 O S InChI=1S/C19H22N2OS/c1-14
    (22)15-9-10-19-17(13-15)2
    1(12-6-11-20(2)3)16-7-4-5
    -8-18(16)23-19/h4-5,7-10,
    13H,6,11-12H2,1-3H3;
    NOSIYYJFMPDDSA-UHFFFAOYSA-N    		 CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(C)=O; O=
    C(c2cc1N(c3c(Sc1cc2)cccc3)CCCN(C)C)C; CC
    (=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C    		 1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-PHENOTHIAZIN-2-YL]-ETHANONE;
    ACETYLPROMAZINE
    32474
    PN0
    CHEMBL75094
    DB05100
    ZINC000000580328    		 8 C18 H21 N3 O5 S2 InChI=1S/C18H21N3O5S2/c1-
    18(2)16(17(22)20-23)21(11
    -12-27-18)28(24,25)15-5-3
    -13(4-6-15)26-14-7-9-19-1
    0-8-14/h3-10,16,23H,11-12
    H2,1-2H3,(H,20,22)/t16-/m
    0/s1;
    YKPYIPVDTNNYCN-INIZCTEOSA-N    		 CC1(C(N(CCS1)S(=O)(=O)c2ccc(cc2)Oc3ccncc
    3)C(=O)NO)C; O=S(=O)(N1C(C(=O)NO)C(SCC1)
    (C)C)c3ccc(Oc2ccncc2)cc3; CC1(C)SCCN([C@
    H]1C(=O)NO)[S](=O)(=O)c2ccc(Oc3ccncc3)cc
    2; CC1([C@@H](N(CCS1)S(=O)(=O)c2ccc(cc2)
    Oc3ccncc3)C(=O)NO)C; CC1(C)SCCN([CH]1C(=
    O)NO)[S](=O)(=O)c2ccc(Oc3ccncc3)cc2    		 Prinomastat;
    (3S)-N-hydroxy-2,2-dimethyl-4-{[4-(pyridin-4-yloxy)phenyl]sulfonyl}thiomorpholine-3-carboxamide
    32475
    PN1
    ZINC000004062610    		 2 C16 H19 N3 O4 S InChI=1S/C16H19N3O4S/c1-1
    6(2)11(15(22)23)19-13(21)
    10(14(19)24-16)18-12(20)9
    (17)8-6-4-3-5-7-8/h3-7,9-
    11,14H,17H2,1-2H3,(H,18,2
    0)(H,22,23)/t9-,10+,11-,1
    4+/m0/s1;
    AVKUERGKIZMTKX-BBGACYKPSA-N    		 O=C(O)C2N3C(=O)C(NC(=O)C(c1ccccc1)N)C3SC
    2(C)C; CC1(C(N2C(S1)C(C2=O)NC(=O)C(c3ccc
    cc3)N)C(=O)O)C; CC1([C@@H](N2[C@H](S1)[C
    @@H](C2=O)NC(=O)[C@H](c3ccccc3)N)C(=O)O)
    C; CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3
    ccccc3)C(=O)N2[C@H]1C(O)=O; CC1(C)S[CH]2
    [CH](NC(=O)[CH](N)c3ccccc3)C(=O)N2[CH]1C
    (O)=O    		 (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
    32476
    PN2
    ZINC000033409231    		 0 C14 H26 N3 O8 P S InChI=1S/C14H26N3O8PS/c1-
    14(2,9-25-26(22,23)24-8-1
    0(15)7-18)12(20)13(21)17-
    4-3-11(19)16-5-6-27/h12,2
    0,27H,3-6,8-9,15H2,1-2H3,
    (H,16,19)(H,17,21)(H,22,2
    3)/t12-/m0/s1;
    ZGRYNLLRYMHWCW-LBPRGKRZSA-N    		 CC(C)(CO[P@@](O)(=O)OCC(N)=C=O)[C@@H](O)
    C(=O)NCCC(=O)NCCS; CC(C)(CO[P](O)(=O)OCC
    (N)=C=O)[CH](O)C(=O)NCCC(=O)NCCS; CC(C)(
    COP(=O)(O)OCC(=C=O)N)C(C(=O)NCCC(=O)NCCS
    )O; CC(C)(CO[P@](=O)(O)OCC(=C=O)N)[C@H](
    C(=O)NCCC(=O)NCCS)O; O=C(NCCS)CCNC(=O)C(
    O)C(C)(C)COP(=O)(O)OCC(=C=O)/N    		 4'-(3-AMINOPROPIONIC) PHOSPHOPANTETHEINE;
    2-AMINO-3-(HYDROXY-(3-HYDROXY-3-[2-(MERCAPTO-ETHYLCARBAMOYL]-2,2-DIMETHYL-PROPOXY-PHOSPHORYLOXY)-PROPIONIC ACID
    32477
    PN3
    ZINC000033977105    		 3 C15 H22 N2 O4 InChI=1S/C15H22N2O4/c1-15
    (2,3)21-14(19)16-13(10-17
    (20)11-18)9-12-7-5-4-6-8-
    12/h4-8,11,13,20H,9-10H2,
    1-3H3,(H,16,19)/t13-/m0/s
    1;
    WLOCWKYZMRXKHU-ZDUSSCGKSA-N    		 CC(C)(C)OC(=O)N[CH](CN(O)C=O)Cc1ccccc1;
    O=CN(O)CC(NC(=O)OC(C)(C)C)Cc1ccccc1; CC(
    C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN(C=O)O; C
    C(C)(C)OC(=O)N[C@H](CN(O)C=O)Cc1ccccc1;
    CC(C)(C)OC(=O)NC(Cc1ccccc1)CN(C=O)O    		 tert-butyl {(2S)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl}carbamate
    32478
    PN4
    CHEMBL447943
    ZINC000006716044    		 7 C14 H28 N2 O4 InChI=1S/C14H28N2O4/c1-4-
    5-6-8-15-11(18)7-9-16-13(
    20)12(19)14(2,3)10-17/h12
    ,17,19H,4-10H2,1-3H3,(H,1
    5,18)(H,16,20)/t12-/m0/s1;
    HWNKKPMQPCHGBA-LBPRGKRZSA-N    		 CCCCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO; CC
    CCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO; O=C(N
    CCC(=O)NCCCCC)C(O)C(C)(C)CO; CCCCCNC(=O)
    CCNC(=O)C(C(C)(C)CO)O; CCCCCNC(=O)CCNC(=
    O)[C@@H](C(C)(C)CO)O    		 (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide;
    N-Pentylpantothenamide
    32479
    PN5
    DB08408
    ZINC000013522155    		 2 C16 H30 N2 O5 S InChI=1S/C16H30N2O5S/c1-1
    5(2,3)14(22)23-10-16(4,5)
    12(20)13(21)18-7-6-11(19)
    17-8-9-24/h12,20,24H,6-10
    H2,1-5H3,(H,17,19)(H,18,2
    1)/t12-/m0/s1;
    KVQSHCZSRKQWCB-LBPRGKRZSA-N    		 CC(C)(C)C(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC
    (=O)NCCS; CC(C)(C)C(=O)OCC(C)(C)[CH](O)C
    (=O)NCCC(=O)NCCS; O=C(NCCS)CCNC(=O)C(O)C
    (C)(C)COC(=O)C(C)(C)C; CC(C)(C)C(=O)OCC(
    C)(C)C(C(=O)NCCC(=O)NCCS)O; CC(C)(C)C(=O
    )OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCS)O    		 (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate
    32480
    PN6
    CHEMBL1096380
    DB05992
    ZINC000003819466    		 6 C19 H20 N4 O2 InChI=1S/C19H20N4O2/c1-19
    (2,3)16-13(20-11-21-16)10
    -15-18(25)22-14(17(24)23-
    15)9-12-7-5-4-6-8-12/h4-1
    1H,1-3H3,(H,20,21)(H,22,2
    5)(H,23,24)/b14-9-,15-10-;
    UNRCMCRRFYFGFX-TYPNBTCFSA-N    		 CC(C)(C)c1[nH]cnc1C=C2NC(=O)C(NC2=O)=Cc3
    ccccc3; [C@H](c1ncnc1C(C)(C)C)=C2NC(=O)C
    (NC2=O)=[C@H]c3ccccc3; CC(C)(C)c1c(nc[nH
    ]1)/C=C\2/C(=O)N/C(=C\c3ccccc3)/C(=O)N2;
    CC(C)(C)c1c(nc[nH]1)C=C2C(=O)NC(=Cc3ccc
    cc3)C(=O)N2; CC(C)(C)c1[nH]cnc1/C=C/2NC(
    =O)C(/NC/2=O)=C/c3ccccc3    		 (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione;
    Plinabulin
    32481
    PN7    		 17 C11 H23 N2 O7 P S InChI=1S/C11H23N2O7PS/c1-
    11(2,7-20-21(17,18)19)9(1
    5)10(16)13-4-3-8(14)12-5-
    6-22/h9,15,22H,3-7H2,1-2H
    3,(H,12,14)(H,13,16)(H2,1
    7,18,19)/t9-/m1/s1;
    JDMUPRLRUUMCTL-SECBINFHSA-N    		 OC(C(C)(COP(O)(O)=O)C)C(=O)NCCC(NCCS)=O;
    CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O
    ; CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=
    O)NCCS; CC(C)(CO[P](O)(O)=O)[C@H](O)C(=O
    )NCCC(=O)NCCS; CC(C)(COP(=O)(O)O)[C@@H](
    C(=O)NCCC(=O)NCCS)O    		 N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide
    32482
    PN8    		 2 C7 H14 N3 O4 InChI=1S/C7H14N3O4/c8-10-
    9-2-3-4(11)1-5(12)7(14)6(
    3)13/h3-7,9,11-14H,1-2H2/
    t3-,4-,5-,6+,7+/m0/s1;
    FBFTWYYGVGMNEW-YPPKRKOXSA-N    		 O[C@H]1C[C@H](O)[C@H](CN[N]#N)[C@@H](O)[
    C@@H]1O; O[CH]1C[CH](O)[CH](CN[N]#N)[CH]
    (O)[CH]1O; C1[C@@H]([C@@H]([C@H]([C@@H](
    [C@H]1O)O)O)CN[N]#N)O; C1C(C(C(C(C1O)O)O
    )CN[N]#N)O    		 (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[($l^{5}-azanylidyne-$l^{5}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol
    32483
    PN9
    ZINC000058638491    		 3 C13 H19 N2 O7 P S InChI=1S/C13H19N2O7PS/c1-
    8-12(16)10(6-15-11(13(17)
    18)3-4-24-2)9(5-14-8)7-22
    -23(19,20)21/h5-6,14,16H,
    3-4,7H2,1-2H3,(H,17,18)(H
    2,19,20,21)/b10-6-,15-11+;
    UNHRYMFMFMQCNK-JNVWRRHBSA-N    		 CSCCC(=[NH+]C=C1C(=C(C)NC=C1CO[P](O)(O)=
    O)[O-])C(O)=O; CC1=C(C(=C[NH+]=C(CCSC)C(
    =O)O)C(=CN1)COP(=O)(O)O)[O-]; CC1=C(/C(=
    C\[NH+]=C(/CCSC)\C(=O)O)/C(=CN1)COP(=O)(
    O)O)[O-]; CSCCC(=[NH+]\C=C1/C(=C(C)NC=C1
    CO[P](O)(O)=O)[O-])C(O)=O; O=C(O)C(\CCSC
    )=[NH+]\C=C1/C([O-])=C(C)NC=C1COP(=O)(O)
    O    		 (4Z)-4-({[(1E)-1-carboxy-3-(methylsulfanyl)propylidene]azaniumyl}methylidene)-2-methyl-5-[(phosphonooxy)methyl]-1,4-dihydropyridin-3-olate;
    PLP-Met adduct intermediate in zwitterionic form
    32484
    PNA
    CHEMBL1173567
    ZINC000004282153    		 6 C12 H15 N O8 InChI=1S/C12H15NO8/c14-5-
    8-9(15)10(16)11(17)12(21-
    8)20-7-3-1-6(2-4-7)13(18)
    19/h1-4,8-12,14-17H,5H2/t
    8-,9-,10+,11+,12+/m1/s1;
    IFBHRQDFSNCLOZ-GCHJQGSQSA-N    		 [O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)c
    c2; c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@H](
    [C@H]([C@@H]([C@H](O2)CO)O)O)O; c1cc(ccc
    1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O; OC
    [CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](
    O)[CH](O)[CH]1O; OC[C@H]1O[C@H](Oc2ccc(c
    c2)[N+]([O-])=O)[C@@H](O)[C@@H](O)[C@@H]
    1O    		 4-nitrophenyl alpha-D-mannopyranoside;
    4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDE;
    4-nitrophenyl alpha-D-mannoside;
    4-nitrophenyl D-mannoside;
    4-nitrophenyl mannoside
    32485
    PNB
    DB08409    		 8 C13 H17 N2 O8 P InChI=1S/C13H17N2O8P/c16-
    12(14-8-13(17)18)2-1-7-24
    (21,22)23-9-10-3-5-11(6-4
    -10)15(19)20/h3-6H,1-2,7-
    9H2,(H,14,16)(H,17,18)(H,
    21,22);
    LNMNPGKCSJFAGN-UHFFFAOYSA-N    		 c1cc(ccc1COP(=O)(CCCC(=O)NCC(=O)O)O)[N+]
    (=O)[O-]; O=C(O)CNC(=O)CCCP(=O)(OCc1ccc(
    cc1)[N+]([O-])=O)O; c1cc(ccc1CO[P@](=O)(
    CCCC(=O)NCC(=O)O)O)[N+](=O)[O-]; OC(=O)C
    NC(=O)CCC[P](O)(=O)OCc1ccc(cc1)[N+]([O-]
    )=O; OC(=O)CNC(=O)CCC[P@@](O)(=O)OCc1ccc
    (cc1)[N+]([O-])=O    		 4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYCINE
    32486
    PNC
    DB08410
    ZINC000002043202    		 2 C14 H17 N3 O6 InChI=1S/C14H17N3O6/c18-1
    2(2-1-3-13(19)16-9-14(20)
    21)15-8-10-4-6-11(7-5-10)
    17(22)23/h4-7H,1-3,8-9H2,
    (H,15,18)(H,16,19)(H,20,2
    1);
    UCFVFUIGNWHAJJ-UHFFFAOYSA-N    		 OC(=O)CNC(=O)CCCC(=O)NCc1ccc(cc1)[N+]([O
    -])=O; O=C(O)CNC(=O)CCCC(=O)NCc1ccc(cc1)
    [N+]([O-])=O; c1cc(ccc1CNC(=O)CCCC(=O)NC
    C(=O)O)[N+](=O)[O-]    		 PARA-NITROBENZYL GLUTARYL GLYCINIC ACID
    32487
    PND
    ZINC000003860923    		 2 C6 H7 N3 O2 InChI=1S/C6H7N3O2/c7-8-5-
    1-3-6(4-2-5)9(10)11/h1-4,
    8H,7H2;
    KMVPXBDOWDXXEN-UHFFFAOYSA-N    		 c1cc(ccc1NN)[N+](=O)[O-]; NNc1ccc(cc1)[N
    +]([O-])=O; [O-][N+](=O)c1ccc(NN)cc1    		 P-NITROPHENYLHYDRAZINE
    32488
    PNE
    DB08377
    ZINC000006491491    		 2 C13 H17 N2 O8 P InChI=1S/C13H17N2O8P/c1-9
    (13(17)18)14-12(16)3-2-8-
    24(21,22)23-11-6-4-10(5-7
    -11)15(19)20/h4-7,9H,2-3,
    8H2,1H3,(H,14,16)(H,17,18
    )(H,21,22)/t9-/m1/s1;
    KBXXIYHMPQZHCH-SECBINFHSA-N    		 O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)CCCC(=O)N
    C(C(=O)O)C; C[CH](NC(=O)CCC[P](O)(=O)Oc1
    ccc(cc1)[N+]([O-])=O)C(O)=O; C[C@@H](NC(
    =O)CCC[P@](O)(=O)Oc1ccc(cc1)[N+]([O-])=O
    )C(O)=O; CC(C(=O)O)NC(=O)CCCP(=O)(O)Oc1c
    cc(cc1)[N+](=O)[O-]; CC(C(=O)O)NC(=O)CCC
    [P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]    		 PARA-NITROPHENYL PHOSPHONOBUTANOYL L-ALANINE
    32489
    PNF
    DB08412
    ZINC000006536225    		 2 C16 H23 N2 O8 P InChI=1S/C16H23N2O8P/c19-
    15(17-11-3-1-2-6-16(20)21
    )5-4-12-27(24,25)26-14-9-
    7-13(8-10-14)18(22)23/h7-
    10H,1-6,11-12H2,(H,17,19)
    (H,20,21)(H,24,25);
    WYHHVZLGTMCKOR-UHFFFAOYSA-N    		 OC(=O)CCCCCNC(=O)CCC[P](O)(=O)Oc1ccc(cc1
    )[N+]([O-])=O; c1cc(ccc1[N+](=O)[O-])OP(
    =O)(CCCC(=O)NCCCCCC(=O)O)O; c1cc(ccc1[N+
    ](=O)[O-])O[P@@](=O)(CCCC(=O)NCCCCCC(=O)
    O)O; OC(=O)CCCCCNC(=O)CCC[P@](O)(=O)Oc1c
    cc(cc1)[N+]([O-])=O; O=P(Oc1ccc(cc1)[N+]
    ([O-])=O)(O)CCCC(=O)NCCCCCC(=O)O    		 6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
    32490
    PNG
    CHEMBL1235365
    ZINC000004282228    		 10 C12 H15 N O8 InChI=1S/C12H15NO8/c14-5-
    8-9(15)10(16)11(17)12(21-
    8)20-7-3-1-6(2-4-7)13(18)
    19/h1-4,8-12,14-17H,5H2/t
    8-,9-,10+,11-,12+/m1/s1;
    IFBHRQDFSNCLOZ-ZIQFBCGOSA-N    		 OC[C@H]1O[C@H](Oc2ccc(cc2)[N+]([O-])=O)[
    C@H](O)[C@@H](O)[C@@H]1O; [O-][N+](=O)c2
    ccc(OC1OC(C(O)C(O)C1O)CO)cc2; c1cc(ccc1[
    N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H](
    [C@H](O2)CO)O)O)O; c1cc(ccc1[N+](=O)[O-]
    )OC2C(C(C(C(O2)CO)O)O)O; OC[CH]1O[CH](Oc
    2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]
    1O    		 4-nitrophenyl alpha-D-glucopyranoside;
    4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE;
    4-nitrophenyl alpha-D-glucoside;
    4-nitrophenyl D-glucoside;
    4-nitrophenyl glucoside
    32491
    PNH
    CHEMBL45345
    ZINC000000901192    		 4 C5 H10 O InChI=1S/C5H10O/c1-3-4-5(
    2)6/h3-4H2,1-2H3;
    XNLICIUVMPYHGG-UHFFFAOYSA-N    		 O=C(C)CCC; CCCC(C)=O; CCCC(=O)C pentan-2-one
    32492
    PNI    		 0 C44 H36 N8 Ni InChI=1S/C44H36N8.Ni/c1-4
    9-21-13-29(14-22-49)41-33
    -5-7-35(45-33)42(30-15-23
    -50(2)24-16-30)37-9-11-39
    (47-37)44(32-19-27-52(4)2
    8-20-32)40-12-10-38(48-40
    )43(36-8-6-34(41)46-36)31
    -17-25-51(3)26-18-31;/h5-
    28H,1-4H3;/q-4;+4;
    KZZFAYDWICISAM-UHFFFAOYSA-N    		 c76/C(c%11n4c(/C(c1n5c(cc1)/C(=C2/C=CN(C
    =C2)C)c3ccc/9n3[Ni]45n6c(cc7)C\9=C8/C=CN
    (C=C8)C)=C%10/C=CN(C=C%10)C)cc%11)=C%12\
    C=CN(C=C%12)C; CN1C=CC(=C2c3ccc4n3[Ni]56
    n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C2
    C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C)C
    =C1; CN1C=CC(C=C1)=C2c3ccc4n3[Ni]56n7c2c
    cc7C(=C8C=CN(C)C=C8)c9ccc(n59)C(=C%10C=C
    N(C)C=C%10)c%11ccc(n6%11)C4=C%12C=CN(C)C
    =C%12    		 TETRA[N-METHYL-PYRIDYL] PORPHYRIN-NICKEL
    32493
    PNJ    		 4 C12 H16 N2 O7 InChI=1S/C12H16N2O7/c13-9
    -11(17)10(16)8(5-15)21-12
    (9)20-7-3-1-6(2-4-7)14(18
    )19/h1-4,8-12,15-17H,5,13
    H2/t8-,9-,10-,11-,12-/m1/
    s1;
    ZRNBGANFPXCMFT-LZQZFOIKSA-N    		 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H
    ]([C@@H]([C@H](O2)CO)O)O)N; c1cc(ccc1[N+
    ](=O)[O-])OC2C(C(C(C(O2)CO)O)O)N; N[CH]1
    [CH](O)[CH](O)[CH](CO)O[CH]1Oc2ccc(cc2)[
    N+]([O-])=O; N[C@@H]1[C@@H](O)[C@H](O)[C
    @@H](CO)O[C@H]1Oc2ccc(cc2)[N+]([O-])=O    		 4-nitrophenyl 2-amino-2-deoxy-beta-D-glucopyranoside;
    PNP-BETA-D-GLUCOSAMINE;
    4-nitrophenyl 2-amino-2-deoxy-beta-D-glucoside;
    4-nitrophenyl 2-amino-2-deoxy-D-glucoside;
    4-nitrophenyl 2-amino-2-deoxy-glucoside
    32494
    PNK
    CHEMBL1235368
    ZINC000004576930    		 10 C16 H20 N2 O5 S InChI=1S/C16H20N2O5S/c1-1
    6(2)12(15(22)23)18-13(24-
    16)11(14(20)21)17-10(19)8
    -9-6-4-3-5-7-9/h3-7,11-13
    ,18H,8H2,1-2H3,(H,17,19)(
    H,20,21)(H,22,23)/t11-,12
    -,13+/m0/s1;
    HCYWNSXLUZRKJX-RWMBFGLXSA-N    		 CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)Cc2c
    cccc2)C(O)=O; CC1(C)S[C@@H](N[C@H]1C(O)=
    O)[C@H](NC(=O)Cc2ccccc2)C(O)=O; CC1(C(NC
    (S1)C(C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)C; C
    C1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)
    Cc2ccccc2)C(=O)O)C; O=C(NC(C(=O)O)C1SC(C
    (N1)C(=O)O)(C)C)Cc2ccccc2    		 (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;
    Penicillin, hydroxylated form
    32495
    PNL    		 0 C3 H6 O InChI=1/C3H6O/c1-2-3-4/h3
    H,2H2,1H3;
    NBBJYMSMWIIQGU-UHFFFAOYAZ    		 CCC=O; O=CCC PROPANAL
    32496
    PNM
    ZINC000006591277    		 48 C16 H20 N2 O4 S InChI=1S/C16H20N2O4S/c1-1
    6(2)13(15(21)22)18-14(23-
    16)11(9-19)17-12(20)8-10-
    6-4-3-5-7-10/h3-7,9,11,13
    -14,18H,8H2,1-2H3,(H,17,2
    0)(H,21,22)/t11-,13+,14-/
    m1/s1;
    OGFZUTGOGYUTKZ-KWCYVHTRSA-N    		 CC1(C(NC(S1)C(C=O)NC(=O)Cc2ccccc2)C(=O)O
    )C; CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=
    O)Cc2ccccc2)C(=O)O)C; O=C(NC(C=O)C1SC(C(
    N1)C(=O)O)(C)C)Cc2ccccc2; CC1(C)S[C@@H](
    N[C@H]1C(O)=O)[C@H](NC(=O)Cc2ccccc2)C=O;
    CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)Cc2
    ccccc2)C=O    		 OPEN FORM - PENICILLIN G
    32497
    PNN
    CHEMBL29
    DB01053
    ZINC000003871701    		 14 C16 H18 N2 O4 S InChI=1S/C16H18N2O4S/c1-1
    6(2)12(15(21)22)18-13(20)
    11(14(18)23-16)17-10(19)8
    -9-6-4-3-5-7-9/h3-7,11-12
    ,14H,8H2,1-2H3,(H,17,19)(
    H,21,22)/t11-,12+,14-/m1/
    s1;
    JGSARLDLIJGVTE-MBNYWOFBSA-N    		 CC1(C)S[CH]2[CH](NC(=O)Cc3ccccc3)C(=O)N2
    [CH]1C(O)=O; CC1(C)S[C@@H]2[C@H](NC(=O)C
    c3ccccc3)C(=O)N2[C@H]1C(O)=O; CC1(C(N2C(
    S1)C(C2=O)NC(=O)Cc3ccccc3)C(=O)O)C; CC1(
    [C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3c
    cccc3)C(=O)O)C; O=C(O)C2N3C(=O)C(NC(=O)C
    c1ccccc1)C3SC2(C)C    		 PENICILLIN G
    32498
    PNO    		 0 C H6 N O2 P InChI=1S/CH6NO2P/c1-5(2,3
    )4/h1H3,(H3,2,3,4);
    XQJNSUNTLIFUSQ-UHFFFAOYSA-N    		 O=P(O)(N)C; CP(=O)(N)O; C[P@](=O)(N)O; C
    [P@](N)(O)=O; C[P](N)(O)=O    		 P-METHYL AMINOPHOSPHINIC ACID
    32499
    PNP
    DB08413    		 8 C7 H8 N O5 P InChI=1S/C7H8NO5P/c1-14(1
    1,12)13-7-4-2-6(3-5-7)8(9
    )10/h2-5H,1H3,(H,11,12);
    VJPXTXIEAOSJBR-UHFFFAOYSA-N    		 CP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-]; O=P(Oc
    1ccc(cc1)[N+]([O-])=O)(O)C; C[P@@](=O)(O
    )Oc1ccc(cc1)[N+](=O)[O-]; C[P](O)(=O)Oc1
    ccc(cc1)[N+]([O-])=O; C[P@](O)(=O)Oc1ccc
    (cc1)[N+]([O-])=O    		 METHYL-PHOSPHONIC ACID MONO-(4-NITRO-PHENYL) ESTER;
    4-NITROPHENYL HYDROGEN METHYLPHOSPHONATE
    32500
    PNQ    		 1 C8 H11 Be F3 N2 O9 P2 InChI=1S/C8H12N2O9P2.Be.3
    FH/c11-10(12)8-3-1-7(2-4-
    8)9-5-6-18-21(16,17)19-20
    (13,14)15;;;;/h1-4,9H,5-6
    H2,(H,16,17)(H2,13,14,15)
    ;;3*1H/q;+4;;;/p-4;
    VQFXKFKMXDVHLH-UHFFFAOYSA-J    		 [Be](OP(=O)(O)OP(=O)(O)OCCNc1ccc(cc1)[N+
    ](=O)[O-])(F)(F)F; O[P](=O)(OCCNc1ccc(cc
    1)[N+]([O-])=O)O[P](O)(=O)O[Be](F)(F)F;
    [Be](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccc(
    cc1)[N+](=O)[O-])(F)(F)F; O[P@](=O)(OCCN
    c1ccc(cc1)[N+]([O-])=O)O[P@@](O)(=O)O[Be
    ](F)(F)F    		 P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE
    32501
    PNR
    ZINC000076945641    		 3 C22 H35 N O4 InChI=1S/C22H35NO4/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    14-15-22(24)27-21-18-16-2
    0(17-19-21)23(25)26/h16-1
    9H,2-15H2,1H3;
    LVZSQWIWCANHPF-UHFFFAOYSA-N    		 O=C(Oc1ccc(cc1)[N+]([O-])=O)CCCCCCCCCCCC
    CCC; CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+]
    (=O)[O-]; CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1
    )[N+]([O-])=O    		 4-nitrophenyl hexadecanoate;
    paranitrophenyl palmitate
    32502
    PNS
    DB03912    		 220 C11 H23 N2 O7 P S InChI=1S/C11H23N2O7PS/c1-
    11(2,7-20-21(17,18)19)9(1
    5)10(16)13-4-3-8(14)12-5-
    6-22/h9,15,22H,3-7H2,1-2H
    3,(H,12,14)(H,13,16)(H2,1
    7,18,19)/t9-/m0/s1;
    JDMUPRLRUUMCTL-VIFPVBQESA-N    		 CC(C)(CO[P](O)(O)=O)[C@@H](O)C(=O)NCCC(=
    O)NCCS; O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(
    =O)(O)O; CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=
    O)NCCS)O; CC(C)(COP(=O)(O)O)[C@H](C(=O)N
    CCC(=O)NCCS)O; CC(C)(CO[P](O)(O)=O)[CH](
    O)C(=O)NCCC(=O)NCCS    		 4'-PHOSPHOPANTETHEINE
    32503
    PNT
    CHEMBL55
    DB00738
    ZINC000001530775    		 13 C19 H24 N4 O2 InChI=1S/C19H24N4O2/c20-1
    8(21)14-4-8-16(9-5-14)24-
    12-2-1-3-13-25-17-10-6-15
    (7-11-17)19(22)23/h4-11H,
    1-3,12-13H2,(H3,20,21)(H3
    ,22,23);
    XDRYMKDFEDOLFX-UHFFFAOYSA-N    		 O(c1ccc(cc1)C(=[N@H])N)CCCCCOc2ccc(C(=[N
    @H])N)cc2; NC(=N)c1ccc(OCCCCCOc2ccc(cc2)
    C(N)=N)cc1; c1cc(ccc1C(=N)N)OCCCCCOc2ccc
    (cc2)C(=N)N    		 1,5-BIS(4-AMIDINOPHENOXY)PENTANE
    32504
    PNU
    CHEMBL280541
    DB08414    		 2 C13 H11 Cl N4 O S InChI=1S/C13H11ClN4OS/c1-
    7(20-13-17-11(14)5-12(15)
    18-13)9-4-8-2-3-19-10(8)6
    -16-9/h2-7H,1H3,(H2,15,17
    ,18)/t7-/m0/s1;
    ATCRIOJPQXDFNY-ZETCQYMHSA-N    		 CC(c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N; C[C@H
    ](Sc1nc(N)cc(Cl)n1)c2cc3ccoc3cn2; C[C@@H
    ](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N; C[CH](
    Sc1nc(N)cc(Cl)n1)c2cc3ccoc3cn2; Clc1nc(n
    c(N)c1)SC(c2ncc3occc3c2)C    		 6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-YLAMINE
    32505
    PNV
    CHEMBL615
    DB00417
    ZINC000003831282    		 4 C16 H18 N2 O5 S InChI=1S/C16H18N2O5S/c1-1
    6(2)12(15(21)22)18-13(20)
    11(14(18)24-16)17-10(19)8
    -23-9-6-4-3-5-7-9/h3-7,11
    -12,14H,8H2,1-2H3,(H,17,1
    9)(H,21,22)/t11-,12+,14-/
    m1/s1;
    BPLBGHOLXOTWMN-MBNYWOFBSA-N    		 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)
    COc3ccccc3)C(=O)O)C; CC1(C)S[CH]2[CH](NC
    (=O)COc3ccccc3)C(=O)N2[CH]1C(O)=O; CC1(C
    (N2C(S1)C(C2=O)NC(=O)COc3ccccc3)C(=O)O)C
    ; c1c(cccc1)OCC(NC2C(N3C2SC(C)(C)C3C(=O)
    O)=O)=O; CC1(C)S[C@@H]2[C@H](NC(=O)COc3c
    cccc3)C(=O)N2[C@H]1C(O)=O    		 (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID;
    PENICILLIN V
    32506
    PNW
    CHEMBL152723
    ZINC000004028812    		 4 C12 H15 N O8 InChI=1S/C12H15NO8/c14-5-
    8-9(15)10(16)11(17)12(21-
    8)20-7-3-1-6(2-4-7)13(18)
    19/h1-4,8-12,14-17H,5H2/t
    8-,9-,10+,11-,12-/m1/s1;
    IFBHRQDFSNCLOZ-RMPHRYRLSA-N    		 [O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)c
    c2; c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H](
    [C@H]([C@@H]([C@H](O2)CO)O)O)O; OC[C@H]1
    O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)
    [C@@H](O)[C@@H]1O; c1cc(ccc1[N+](=O)[O-]
    )OC2C(C(C(C(O2)CO)O)O)O; OC[CH]1O[CH](Oc
    2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]
    1O    		 4-nitrophenyl beta-D-glucopyranoside;
    4'-NITROPHENYL-BETA-D-GLUCOPYRANOSIDE;
    4-nitrophenyl beta-D-glucoside;
    4-nitrophenyl D-glucoside;
    4-nitrophenyl glucoside
    32507
    PNX
    CHEMBL628
    DB00806
    ZINC000001530776    		 11 C13 H18 N4 O3 InChI=1S/C13H18N4O3/c1-9(
    18)6-4-5-7-17-12(19)10-11
    (14-8-15(10)2)16(3)13(17)
    20/h8H,4-7H2,1-3H3;
    BYPFEZZEUUWMEJ-UHFFFAOYSA-N    		 Cn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12; O
    =C2N(c1ncn(c1C(=O)N2CCCCC(=O)C)C)C; CC(=
    O)CCCCN1C(=O)c2c(ncn2C)N(C1=O)C    		 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE;
    PENTOXIFYLLINE
    32508
    PNY
    CHEMBL1738861
    ZINC000003869684    		 8 C11 H22 N2 O4 S InChI=1S/C11H22N2O4S/c1-1
    1(2,7-14)9(16)10(17)13-4-
    3-8(15)12-5-6-18/h9,14,16
    ,18H,3-7H2,1-2H3,(H,12,15
    )(H,13,17)/t9-/m0/s1;
    ZNXZGRMVNNHPCA-VIFPVBQESA-N    		 CC(C)(CO)[CH](O)C(=O)NCCC(=O)NCCS; CC(C)
    (CO)[C@H](C(=O)NCCC(=O)NCCS)O; CC(C)(CO)
    [C@@H](O)C(=O)NCCC(=O)NCCS; CC(C)(CO)C(C
    (=O)NCCC(=O)NCCS)O; O=C(NCCS)CCNC(=O)C(O
    )C(C)(C)CO    		 (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide;
    pantetheine;
    (R)-2,4-Dihydroxy-N-(3-((2-mercaptoethyl)amino)-3-oxopropyl)-3,3-dimethylbutanamide
    32509
    PNZ
    CHEMBL1235374
    ZINC000001703646    		 10 C7 H8 N2 O2 InChI=1S/C7H8N2O2/c8-5-6-
    1-3-7(4-2-6)9(10)11/h1-4H
    ,5,8H2;
    ODVBBZFQPGORMJ-UHFFFAOYSA-N    		 [O-][N+](=O)c1ccc(cc1)CN; NCc1ccc(cc1)[N
    +]([O-])=O; c1cc(ccc1CN)[N+](=O)[O-]    		 P-NITRO-BENZYLAMINE
    32510
    PO0    		 0 C10 H15 N InChI=1S/C10H15N/c1-2-10(
    11)8-9-6-4-3-5-7-9/h3-7,1
    0H,2,8,11H2,1H3/t10-/m1/s
    1;
    IOLQWLOHKZENDW-SNVBAGLBSA-N    		 CC[C@@H](N)Cc1ccccc1; CCC(Cc1ccccc1)N; C
    C[C@H](Cc1ccccc1)N; CC[CH](N)Cc1ccccc1;
    NC(Cc1ccccc1)CC    		 1-BENZYL-(R)-PROPYLAMINE
    32511
    PO1
    CHEMBL218382
    DB08416
    ZINC000003975451    		 2 C19 H28 N2 O7 S2 InChI=1S/C19H28N2O7S2/c1-
    19-8-7-12-13(15(19)5-6-18
    (19)28-30(21,24)25)4-3-11
    -9-17(27-29(20,22)23)16(2
    6-2)10-14(11)12/h9-10,12-
    13,15,18H,3-8H2,1-2H3,(H2
    ,20,22,23)(H2,21,24,25)/t
    12-,13+,15-,18-,19-/m0/s1;
    AQSNIXKAKUZPSI-SSTWWWIQSA-N    		 O=S(=O)(Oc1cc4c(cc1OC)C3CCC2(C(CCC2OS(=O
    )(=O)N)C3CC4)C)N; CC12CCC3c4cc(c(cc4CCC3
    C1CCC2OS(=O)(=O)N)OS(=O)(=O)N)OC; COc1cc
    2[CH]3CC[C]4(C)[CH](CC[CH]4[CH]3CCc2cc1O
    [S](N)(=O)=O)O[S](N)(=O)=O; C[C@]12CC[C@
    @H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OS
    (=O)(=O)N)OS(=O)(=O)N)OC; COc1cc2[C@H]3C
    C[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2cc1O[S
    ](N)(=O)=O)O[S](N)(=O)=O    		 (9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE
    32512
    PO2
    DB04053    		 3 O2 P InChI=1S/HO2P/c1-3-2/h(H,
    1,2)/p-1;
    GQZXNSPRSGFJLY-UHFFFAOYSA-M    		 [O-]P=O HYPOPHOSPHITE
    32513
    PO3    		 53 O3 P InChI=1S/O3P/c1-4(2)3/q-3;
    AQSJGOWTSHOLKH-UHFFFAOYSA-N    		 [O-][P-]([O-])=O; [O-][PH2-]([O-])=O; [O
    -][P-](=O)[O-]    		 PHOSPHITE ION
    32514
    PO4
    DB14523    		 3495 O4 P InChI=1S/H3O4P/c1-5(2,3)4
    /h(H3,1,2,3,4)/p-3;
    NBIIXXVUZAFLBC-UHFFFAOYSA-K    		 [O-][P]([O-])([O-])=O; [O-]P([O-])([O-])
    =O; [O-]P(=O)([O-])[O-]    		 PHOSPHATE ION
    32515
    PO5
    ZINC000034285242    		 1 C25 H30 N8 O3 InChI=1S/C25H30N8O3/c1-31
    (2)16-19(34)17-36-20-5-3-
    18(4-6-20)28-25-26-10-9-2
    2(29-25)21-15-27-33-23(21
    )7-8-24(30-33)32-11-13-35
    -14-12-32/h3-10,15,19,34H
    ,11-14,16-17H2,1-2H3,(H,2
    6,28,29)/t19-/m0/s1;
    GBRORGYPYNNDGL-IBGZPJMESA-N    		 CN(C)CC(COc1ccc(cc1)Nc2nccc(n2)c3cnn4c3c
    cc(n4)N5CCOCC5)O; CN(C)C[C@@H](COc1ccc(c
    c1)Nc2nccc(n2)c3cnn4c3ccc(n4)N5CCOCC5)O;
    CN(C)C[C@H](O)COc1ccc(Nc2nccc(n2)c3cnn4
    nc(ccc34)N5CCOCC5)cc1; CN(C)C[CH](O)COc1
    ccc(Nc2nccc(n2)c3cnn4nc(ccc34)N5CCOCC5)c
    c1; n4n3ncc(c1nc(ncc1)Nc2ccc(OCC(O)CN(C)
    C)cc2)c3ccc4N5CCOCC5    		 (2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol
    32516
    PO6
    CHEMBL1717544
    ZINC000000123519    		 6 C8 H9 N O2 InChI=1S/C8H9NO2/c9-8(10)
    6-11-7-4-2-1-3-5-7/h1-5H,
    6H2,(H2,9,10);
    AOPRXJXHLWYPQR-UHFFFAOYSA-N    		 c1ccc(cc1)OCC(=O)N; NC(=O)COc1ccccc1; O=
    C(N)COc1ccccc1    		 2-phenoxyacetamide
    32517
    PO7    		 2 C19 H18 F2 N4 O2 InChI=1S/C19H18F2N4O2/c1-
    19(2,3)16-13(22-9-23-16)8
    -15-18(27)24-14(17(26)25-
    15)7-10-6-11(20)4-5-12(10
    )21/h4-9H,1-3H3,(H,22,23)
    (H,24,27)(H,25,26)/b14-7?
    ,15-8-;
    YRMXYQDFDXFFPU-QEJIEUBGSA-N    		 CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)NC(=Cc3c
    c(ccc3F)F)C(=O)N2; CC(C)(C)c1c([nH]cn1)C
    =C2C(=O)NC(=Cc3cc(ccc3F)F)C(=O)N2; CC(C)
    (C)c1nc[nH]c1C=C2NC(=O)C(NC2=O)=Cc3cc(F)
    ccc3F; CC(C)(C)c1nc[nH]c1\C=C2/NC(=O)\C(
    NC2=O)=C\c3cc(F)ccc3F    		 (6Z)-3-[[2,5-bis(fluoranyl)phenyl]methylidene]-6-[(4-tert-butyl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione
    32518
    PO8    		 3 C7 H16 N O5 InChI=1S/C7H15NO5/c8-3-2(
    1-9)4(10)6(12)7(13)5(3)11
    /h2-7,9-13H,1,8H2/p+1/t2-
    ,3+,4+,5-,6-,7-/m0/s1;
    SWVTZDDSAFUTKS-ARYBSUEZSA-O    		 [NH3+][CH]1[CH](O)[CH](O)[CH](O)[CH](O)[
    CH]1CO; [NH3+][C@H]1[C@H](O)[C@H](O)[C@@
    H](O)[C@H](O)[C@H]1CO; C([C@H]1[C@H]([C@
    @H]([C@@H]([C@H]([C@@H]1O)O)O)O)[NH3+])O
    ; C(C1C(C(C(C(C1O)O)O)O)[NH3+])O    		 (1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
    32519
    PO9
    ZINC000085590680    		 2 C40 H78 O13 P2 InChI=1S/C40H78O13P2/c1-3
    -5-7-9-11-13-15-17-18-20-
    21-23-25-27-29-31-39(42)4
    9-35-38(36-52-55(47,48)51
    -34-37(41)33-50-54(44,45)
    46)53-40(43)32-30-28-26-2
    4-22-19-16-14-12-10-8-6-4
    -2/h17-18,37-38,41H,3-16,
    19-36H2,1-2H3,(H,47,48)(H
    2,44,45,46)/b18-17-/t37-,
    38+/m0/s1;
    WQMDYQSTTXRXLQ-HGWHEPCSSA-N    		 CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC
    C/C=C\CCCCCCCC)COP(=O)(O)OC[C@H](COP(=O)
    (O)O)O; CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=
    O)CCCCCCC\C=C/CCCCCCCC)CO[P](O)(=O)OC[C@
    @H](O)CO[P](O)(O)=O; CCCCCCCCCCCCCCCC(=O
    )OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)
    OCC(COP(=O)(O)O)O; CCCCCCCCCCCCCCCC(=O)O
    [CH](COC(=O)CCCCCCCC=CCCCCCCCC)CO[P](O)(
    =O)OC[CH](O)CO[P](O)(O)=O    		 [(2R)-2-hexadecanoyloxy-3-[oxidanyl-[(2S)-2-oxidanyl-3-phosphonooxy-propoxy]phosphoryl]oxy-propyl] (Z)-octadec-9-enoate
    32520
    POA
    DB03174    		 20 C2 H5 O4 P InChI=1S/C2H5O4P/c3-1-2-7
    (4,5)6/h1H,2H2,(H2,4,5,6);
    YEMKIGUKNDOZEG-UHFFFAOYSA-N    		 O[P](O)(=O)CC=O; C(C=O)P(=O)(O)O; O=CCP(
    =O)(O)O    		 PHOSPHONOACETALDEHYDE
    32521
    POB
    ZINC000003581150    		 1 C6 H15 N O8 P2 InChI=1S/C6H15NO8P2/c1-3-
    5(6(8)9)14-16(10,4(2)7)15
    -17(11,12)13/h4-5H,3,7H2,
    1-2H3,(H,8,9)(H2,11,12,13
    )/t4-,5+,16+/m0/s1;
    LSPLWPXJPPQFJE-RJPXELBVSA-N    		 CC[C@@H](O[P@@](=O)(O[P](O)(O)=O)[C@@H](
    C)N)C(O)=O; O=P(O)(OP(=O)(OC(C(=O)O)CC)C
    (N)C)O; CC[C@H](C(=O)O)O[P@](=O)([C@@H](
    C)N)OP(=O)(O)O; CC[CH](O[P](=O)(O[P](O)(
    O)=O)[CH](C)N)C(O)=O; CCC(C(=O)O)OP(=O)(
    C(C)N)OP(=O)(O)O    		 2-[(1-AMINO-ETHYL)-PHOSPHATE-PHOSPHINOYLOXY]-BUTYRIC ACID
    32522
    POC    		 0 C5 H15 N O4 P InChI=1/C5H14NO4P/c1-6(2,
    3)4-5-10-11(7,8)9/h4-5H2,
    1-3H3,(H-,7,8,9)/p+1/fC5H
    15NO4P/h7-8H/q+1;
    YHHSONZFOIEMCP-JDXNDFPICG    		 O=P(O)(O)OCC[N+](C)(C)C; C[N+](C)(C)CCO[
    P](O)(O)=O; C[N+](C)(C)CCOP(=O)(O)O    		 PHOSPHOCHOLINE
    32523
    POD
    CHEMBL61
    DB01179
    ZINC000003861806    		 2 C22 H22 O8 InChI=1S/C22H22O8/c1-25-1
    6-4-10(5-17(26-2)21(16)27
    -3)18-11-6-14-15(30-9-29-
    14)7-12(11)20(23)13-8-28-
    22(24)19(13)18/h4-7,13,18
    -20,23H,8-9H2,1-3H3/t13-,
    18+,19-,20-/m0/s1;
    YJGVMLPVUAXIQN-XVVDYKMHSA-N    		 COc1cc(cc(c1OC)OC)C2c3cc4c(cc3C(C5C2C(=O
    )OC5)O)OCO4; COc1cc(cc(OC)c1OC)[CH]2[CH]
    3[CH](COC3=O)[CH](O)c4cc5OCOc5cc24; O=C4
    OCC5C(O)c2cc1OCOc1cc2C(c3cc(OC)c(OC)c(OC
    )c3)C45; COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c
    (cc3[C@@H]([C@@H]5C2C(=O)OC5)O)OCO4; COc
    1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O
    )[C@@H](O)c4cc5OCOc5cc24    		 9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3-D][1,3]DIOXOL-6(5AH)-ONE;
    PODOPHYLLOTOXIN
    32524
    POF
    CHEMBL1235380
    DB08418
    ZINC000003988972    		 1 C24 H27 N3 O5 S InChI=1S/C24H27N3O5S/c1-2
    4-9-8-19-18-7-5-17(32-33(
    25,30)31)11-16(18)4-6-20(
    19)21(24)12-22(28)27(23(2
    4)29)14-15-3-2-10-26-13-1
    5/h2-3,5,7,10-11,13,19-21
    H,4,6,8-9,12,14H2,1H3,(H2
    ,25,30,31)/t19-,20-,21+,2
    4+/m1/s1;
    LSJKARAMQNGZDF-YOEKFXIASA-N    		 CC12CCC3c4ccc(cc4CCC3C1CC(=O)N(C2=O)Cc5c
    ccnc5)OS(=O)(=O)N; C[C]12CC[CH]3[CH](CCc
    4cc(O[S](N)(=O)=O)ccc34)[CH]1CC(=O)N(Cc5
    cccnc5)C2=O; C[C@]12CC[C@H]3[C@@H](CCc4c
    c(O[S](N)(=O)=O)ccc34)[C@@H]1CC(=O)N(Cc5
    cccnc5)C2=O; O=S(=O)(Oc1cc3c(cc1)C2CCC4(
    C(=O)N(C(=O)CC4C2CC3)Cc5cccnc5)C)N; C[C@
    ]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC(=
    O)N(C2=O)Cc5cccnc5)OS(=O)(=O)N    		 (4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate
    32525
    POG    		 28 C21 H44 O8 InChI=1S/C21H44O8/c1-15(2
    3)9-24-17(3)11-26-19(5)13
    -28-21(7)14-29-20(6)12-27
    -18(4)10-25-16(2)8-22/h15
    -23H,8-14H2,1-7H3/t15-,16
    ?,17?,18?,19?,20?,21?/m1/
    s1;
    OWRNLGZKEZSHGO-QAWAPDBNSA-N    		 C[C@H](CO)OC[C@@H](C)OC[C@@H](C)OC[C@@H]
    (C)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O; C[
    C@@H](O)COC(C)COC(C)COC(C)COC(C)COC(C)CO
    C(C)CO; CC(CO)OCC(C)OCC(C)OCC(C)OCC(C)OC
    C(C)OCC(C)O; O(CC(O)C)C(COC(C)COC(C)COC(
    C)COC(C)COC(C)CO)C; C[CH](O)COC(C)COC(C)
    COC(C)COC(C)COC(C)COC(C)CO    		 (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL;
    POLYPROPYLENE GLYCOL;
    HEPTAPROPYLENE GLYCOL
    32526
    POH
    CHEMBL65606    		 0 C44 H38 N8 InChI=1S/C44H37N8/c1-49-2
    1-13-29(14-22-49)41-33-5-
    7-35(45-33)42(30-15-23-50
    (2)24-16-30)37-9-11-39(47
    -37)44(32-19-27-52(4)28-2
    0-32)40-12-10-38(48-40)43
    (36-8-6-34(41)46-36)31-17
    -25-51(3)26-18-31/h5-28H,
    1-4H3,(H,45,46,47,48)/q+3
    /p+1/b41-33-,41-34-,42-35
    -,42-37-,43-36-,43-38-,44
    -39-,44-40-;
    ABCGFHPGHXSVKI-LWQDQPMZSA-O    		 C[n+]1ccc(cc1)/c/2c\3/nc(/c(c/4\[nH]/c(c
    (\c5n/c(c(\c6[nH]c2cc6)/c7cc[n+](cc7)C)/
    C=C5)/c8cc[n+](cc8)C)/cc4)/c9cc[n+](cc9)
    C)C=C3; n5c6c(c1nc(cc1)c(c2cc[n+](cc2)C)
    c3nc(C=C3)c(c4cc[n+](cc4)C)c8ccc(c(c5C=C
    6)c7cc[n+](cc7)C)n8)c9cc[n+](cc9)C; C[n+
    ]1ccc(cc1)c2c3ccc([nH]3)c(c4nc(c(c5ccc([
    nH]5)c(c6nc2C=C6)c7cc[n+](cc7)C)c8cc[n+]
    (cc8)C)C=C4)c9cc[n+](cc9)C; C[n+]1ccc(cc
    1)c2c3[nH]c(cc3)c(c4cc[n+](C)cc4)c5ccc(n
    5)c(c6[nH]c(cc6)c(c7cc[n+](C)cc7)c8ccc2n
    8)c9cc[n+](C)cc9    		 (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin;
    TMPyP4
    32527
    POI
    ZINC000016051622    		 4 C15 H24 N3 O8 P InChI=1S/C15H24N3O8P/c1-9
    -14(20)12(11(6-17-9)8-26-
    27(23,24)25)7-16-5-3-4-13
    (15(21)22)18-10(2)19/h6,1
    3,16,20H,3-5,7-8H2,1-2H3,
    (H,18,19)(H,21,22)(H2,23,
    24,25)/t13-/m0/s1;
    QIZZUQLTAZUUFQ-ZDUSSCGKSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCC(C(=O)O)N
    C(=O)C)O; Cc1c(c(c(cn1)COP(=O)(O)O)CNCCC
    [C@@H](C(=O)O)NC(=O)C)O; CC(=O)N[CH](CCC
    NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O; O=
    C(O)C(NC(=O)C)CCCNCc1c(cnc(c1O)C)COP(=O)
    (O)O; CC(=O)N[C@@H](CCCNCc1c(O)c(C)ncc1C
    O[P](O)(O)=O)C(O)=O    		 N~2~-ACETYL-N~5~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-ORNITHINE
    32528
    POJ
    CHEMBL5090401    		 1 C23 H27 F3 N4 O4 S InChI=1S/C23H27F3N4O4S/c2
    4-23(25,26)17-3-5-18(6-4-
    17)27-22(31)28-19-7-9-21(
    10-8-19)35(32,33)30-11-1-
    2-20(30)16-29-12-14-34-15
    -13-29/h3-10,20H,1-2,11-1
    6H2,(H2,27,28,31)/t20-/m0
    /s1;
    ZPMULUKHFNMJPF-FQEVSTJZSA-N    		 FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)[S](=O)(=
    O)N3CCC[C@H]3CN4CCOCC4)cc1; c1cc(ccc1C(F
    )(F)F)NC(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCC3C
    N4CCOCC4; FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2
    )[S](=O)(=O)N3CCC[CH]3CN4CCOCC4)cc1; c2(
    ccc(NC(Nc1ccc(cc1)C(F)(F)F)=O)cc2)S(N4CC
    CC4CN3CCOCC3)(=O)=O; c1cc(ccc1C(F)(F)F)N
    C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCC[C@H]3CN4C
    COCC4    		 N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea
    32529
    POK    		 0 C8 H16 N4 O4 InChI=1S/C8H16N4O4/c9-5(7
    (15)16)2-1-3-11-8(10)12-4
    -6(13)14/h5H,1-4,9H2,(H,1
    3,14)(H,15,16)(H3,10,11,1
    2)/t5-/m0/s1;
    AZYVWHCRKHJLRB-YFKPBYRVSA-N    		 [H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCC(=O)O;
    N[CH](CCCNC(=N)NCC(O)=O)C(O)=O; N[C@@H](
    CCCNC(=N)NCC(O)=O)C(O)=O; C(CC(C(=O)O)N)
    CNC(=N)NCC(=O)O    		 2-[[~{N}-[(4~{S})-4-azanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]ethanoic acid
    32530
    POL
    CHEMBL14687
    DB03175
    ZINC000000895969    		 78 C3 H8 O InChI=1S/C3H8O/c1-2-3-4/h
    4H,2-3H2,1H3;
    BDERNNFJNOPAEC-UHFFFAOYSA-N    		 CCCO; OCCC N-PROPANOL;
    1-PROPONOL
    32531
    POM    		 0 C6 H9 N O3 InChI=1S/C6H9NO3/c1-3-5(8
    )2-4(7-3)6(9)10/h3-4,7H,2
    H2,1H3,(H,9,10)/t3-,4-/m0
    /s1;
    QQBMOLVYWYXMIA-IMJSIDKUSA-N    		 CC1C(=O)CC(N1)C(=O)O; O=C1C(NC(C(=O)O)C1
    )C; C[C@H]1C(=O)C[C@H](N1)C(=O)O; C[CH]1
    N[CH](CC1=O)C(O)=O; C[C@@H]1N[C@@H](CC1=
    O)C(O)=O    		 CIS-5-METHYL-4-OXOPROLINE
    32532
    PON    		 2 H3 N O6 P2 InChI=1S/H4NO6P2/c1-8(2,3
    )7-9(4,5)6/h(H4-,1,2,3,4,
    5,6)/q-1/p-1;
    VYBCVOULKDXKCH-UHFFFAOYSA-M    		 N=[P@@](O)([O-])O[P@](=O)(O)[O-]; O[P@@]
    ([O-])(=N)O[P](O)([O-])=O; N=P(O)([O-])O
    P(=O)(O)[O-]; O[P]([O-])(=N)O[P](O)([O-]
    )=O    		 IMIDO DIPHOSPHATE
    32533
    POO
    ZINC000013646579    		 1 C31 H39 N3 O3 InChI=1S/C31H39N3O3/c1-32
    -17-9-10-22(19-32)20-33(2
    )28(35)21-34-27-18-25(31(
    36)37)15-16-26(27)29(23-1
    1-5-3-6-12-23)30(34)24-13
    -7-4-8-14-24/h4,7-8,13-16
    ,18,22-23H,3,5-6,9-12,17,
    19-21H2,1-2H3,(H,36,37)/t
    22-/m1/s1;
    AWVLDLUQVKNAMT-JOCHJYFZSA-N    		 C[N@]1CCC[C@H](C1)CN(C)C(=O)Cn2c3cc(ccc3
    c(c2c4ccccc4)C5CCCCC5)C(=O)O; CN1CCC[C@H
    ](C1)CN(C)C(=O)Cn2c3cc(ccc3c(C4CCCCC4)c2
    c5ccccc5)C(O)=O; CN1CCC[CH](C1)CN(C)C(=O
    )Cn2c3cc(ccc3c(C4CCCCC4)c2c5ccccc5)C(O)=
    O; O=C(O)c1ccc3c(c1)n(c(c2ccccc2)c3C4CCC
    CC4)CC(=O)N(CC5CCCN(C)C5)C; CN1CCCC(C1)C
    N(C)C(=O)Cn2c3cc(ccc3c(c2c4ccccc4)C5CCCC
    C5)C(=O)O    		 3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-3-YL)METHYL]AMINO}-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID
    32534
    POP    		 726 H2 O7 P2 InChI=1S/H4O7P2/c1-8(2,3)
    7-9(4,5)6/h(H2,1,2,3)(H2,
    4,5,6)/p-2;
    XPPKVPWEQAFLFU-UHFFFAOYSA-L    		 O[P@@](=O)([O-])O[P@@](=O)(O)[O-]; O[P](
    [O-])(=O)O[P](O)([O-])=O; [O-]P(=O)(O)OP
    ([O-])(=O)O; OP(=O)([O-])OP(=O)(O)[O-]    		 PYROPHOSPHATE 2-
    32535
    POQ    		 0 C16 H33 O20 P3 InChI=1S/C16H33O20P3/c1-3
    -29-38(25,26)35-13-11(19)
    9(17)7(33-15(13)21)5-31-3
    7(23,24)32-6-8-10(18)12(2
    0)14(16(22)34-8)36-39(27,
    28)30-4-2/h7-22H,3-6H2,1-
    2H3,(H,23,24)(H,25,26)(H,
    27,28)/t7-,8?,9-,10-,11+,
    12+,13-,14-,15-,16-/m1/s1;
    QTCHWELPTUAUQX-ASCZGESISA-N    		 CCOP(=O)(O)OC1C(C(C(OC1O)COP(=O)(O)OCC2C
    (C(C(C(O2)O)OP(=O)(O)OCC)O)O)O)O; O=P(O)
    (OCC)OC1C(O)C(O)C(OC1O)COP(=O)(O)OCC2OC(
    O)C(OP(=O)(O)OCC)C(O)C2O; CCO[P](O)(=O)O
    [CH]1[CH](O)O[CH](CO[P](O)(=O)OC[CH]2O[C
    H](O)[CH](O[P](O)(=O)OCC)[CH](O)[CH]2O)[
    CH](O)[CH]1O; CCO[P@](O)(=O)O[C@H]1[C@H]
    (O)O[C@@H](CO[P@@](O)(=O)OC[C@H]2O[C@@H]
    (O)[C@H](O[P@](O)(=O)OCC)[C@@H](O)[C@@H]
    2O)[C@@H](O)[C@@H]1O; CCO[P@@](=O)(O)O[C
    @@H]1[C@H]([C@@H](C(O[C@H]1O)COP(=O)(O)O
    CC2[C@H]([C@@H]([C@H]([C@@H](O2)O)O[P@@]
    (=O)(O)OCC)O)O)O)O    		 BIS(((3S,4S,5R,6R)-5-(ETHYL(PHOSPHORYLOXY))-3,4,6-TRIHYDROXY-TETRAHYDRO-2H-PYRAN-2-YL)METHYL) HYDROGEN PHOSPHATE
    32536
    POR    		 1 C20 H12 Fe N4 InChI=1S/C20H12N4.Fe/c1-2
    -14-10-16-5-6-18(23-16)12
    -20-8-7-19(24-20)11-17-4-
    3-15(22-17)9-13(1)21-14;/
    h1-12H;/q-2;+2/b13-9-,14-
    10-,15-9-,16-10-,17-11-,1
    8-12-,19-11-,20-12-;;
    XVFTZEQSXCJEIQ-QDJBTJTOSA-N    		 c1cc2n3c1C=C4C=CC5=[N]4[Fe]36[N]7=C(C=CC
    7=C2)C=C8N6C(=C5)C=C8; [Fe]1n2c3ccc2C=C4
    C=CC(=N4)C=C5C=CC(=CC6=NC(=C3)C=C6)N15    		 PORPHYRIN FE(III)
    32537
    POS
    ZINC000003870503    		 1 C27 H32 N4 O6 S InChI=1S/C27H32N4O6S/c1-1
    9(2)16-25(31-26(33)20-12-
    14-28-15-13-20)27(34)29-1
    7-21(32)18-30-38(35,36)24
    -10-8-23(9-11-24)37-22-6-
    4-3-5-7-22/h3-15,19,21,25
    ,30,32H,16-18H2,1-2H3,(H,
    29,34)(H,31,33)/t21-,25+/
    m1/s1;
    RNXGMLBGKGGGPZ-BWKNWUBXSA-N    		 CC(C)C[CH](NC(=O)c1ccncc1)C(=O)NC[CH](O)
    CN[S](=O)(=O)c2ccc(Oc3ccccc3)cc2; O=C(NC
    (C(=O)NCC(O)CNS(=O)(=O)c2ccc(Oc1ccccc1)c
    c2)CC(C)C)c3ccncc3; CC(C)C[C@H](NC(=O)c1
    ccncc1)C(=O)NC[C@@H](O)CN[S](=O)(=O)c2cc
    c(Oc3ccccc3)cc2; CC(C)CC(C(=O)NCC(CNS(=O
    )(=O)c1ccc(cc1)Oc2ccccc2)O)NC(=O)c3ccncc
    3; CC(C)C[C@@H](C(=O)NC[C@H](CNS(=O)(=O)
    c1ccc(cc1)Oc2ccccc2)O)NC(=O)c3ccncc3    		 1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]-3-[[N/N-(4-PYRIDINYLCARBONYL)-L-LEUCYL]AMINO]-2-PROPANOL
    32538
    POT
    DB08419    		 1 C11 H16 Cl O3 P InChI=1S/C11H16ClO3P/c1-3
    -10(15-16(2,12)13)9-14-11
    -7-5-4-6-8-11/h4-8,10H,3,
    9H2,1-2H3/t10-,16+/m0/s1;
    YEIXDWIEYXZUBR-MGPLVRAMSA-N    		 CCC(COc1ccccc1)OP(=O)(C)Cl; CC[C@@H](COc
    1ccccc1)O[P@](=O)(C)Cl; CC[C@@H](COc1ccc
    cc1)O[P@](C)(Cl)=O; CC[CH](COc1ccccc1)O[
    P](C)(Cl)=O; ClP(=O)(OC(COc1ccccc1)CC)C    		 (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE;
    (RP,SP)-O-(2S)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE
    32539
    POU
    CHEMBL4218957
    ZINC000098209315    		 8 C27 H48 O11 InChI=1S/C27H48O11/c1-8-1
    6(14-28)9-15(2)19-10-17(3
    4-5)13-22(29)26(3,4)27(33
    )24(31)21(36-7)12-18(38-2
    7)11-20(35-6)23(30)25(32)
    37-19/h9,16-24,28-31,33H,
    8,10-14H2,1-7H3/b15-9-/t1
    6-,17-,18+,19+,20-,21-,22
    +,23+,24-,27+/m1/s1;
    NETARJWZTMGMRM-QOXVJYTGSA-N    		 CC[CH](CO)C=C(C)[CH]1C[CH](C[CH](O)C(C)(
    C)[C]2(O)O[CH](C[CH](OC)[CH](O)C(=O)O1)C
    [CH](OC)[CH]2O)OC; CC[C@@H](CO)/C=C(/C)\
    [C@@H]1C[C@H](C[C@@H](C([C@@]2([C@@H]([C
    @@H](C[C@@H](O2)C[C@H]([C@@H](C(=O)O1)O)
    OC)OC)O)O)(C)C)O)OC; CCC(CO)C=C(C)C1CC(C
    C(C(C2(C(C(CC(O2)CC(C(C(=O)O1)O)OC)OC)O)
    O)(C)C)O)OC; CC[C@@H](CO)\C=C(\C)[C@@H]1
    C[C@H](C[C@H](O)C(C)(C)[C@@]2(O)O[C@@H](
    C[C@@H](OC)[C@H](O)C(=O)O1)C[C@@H](OC)[C
    @H]2O)OC; O=C1OC(C(=C/C(CC)CO)\C)CC(OC)C
    C(O)C(C)(C)C2(O)OC(CC(OC)C1O)CC(OC)C2O    		 Peloruside A;
    (1R,3R,4S,7S,9S,11S,13R,14R,15R)-4,11,13,14-tetrahydroxy-7-[(2Z,4R)-4-(hydroxymethyl)hex-2-en-2-yl]-3,9,15-trimethoxy-12,12-dimethyl-6,17-dioxabicyclo[11.3.1]heptadecan-5-one
    32540
    POV    		 0 C42 H82 N O8 P InChI=1S/C42H82NO8P/c1-6-
    8-10-12-14-16-18-20-21-23
    -25-27-29-31-33-35-42(45)
    51-40(39-50-52(46,47)49-3
    7-36-43(3,4)5)38-48-41(44
    )34-32-30-28-26-24-22-19-
    17-15-13-11-9-7-2/h20-21,
    40H,6-19,22-39H2,1-5H3/b2
    1-20-/t40-/m0/s1;
    WTJKGGKOPKCXLL-PFDVCBLKSA-N    		 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC
    [N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC; CC
    CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P]([O-])(=
    O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCC
    CCC; CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@]
    (=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C
    =C\CCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC[CH](
    CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC
    CCCC=CCCCCCCCC; O=C(OCC(OC(=O)CCCCCCC\C=
    C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)C
    CCCCCCCCCCCCCC    		 (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate;
    POPC
    32541
    POW
    ZINC000004213008    		 1 C22 H27 N3 O4 InChI=1S/C22H27N3O4/c26-2
    1(23-18-10-4-1-5-11-18)28
    -17-20(16-25-14-8-3-9-15-
    25)29-22(27)24-19-12-6-2-
    7-13-19/h1-2,4-7,10-13,20
    H,3,8-9,14-17H2,(H,23,26)
    (H,24,27)/t20-/m1/s1;
    YUGZHQHSNYIFLG-HXUWFJFHSA-N    		 c1ccc(cc1)NC(=O)OC[C@@H](CN2CCCCC2)OC(=O
    )Nc3ccccc3; c1ccc(cc1)NC(=O)OCC(CN2CCCCC
    2)OC(=O)Nc3ccccc3; O=C(Nc1ccccc1)OC[CH](
    CN2CCCCC2)OC(=O)Nc3ccccc3; O=C(Nc1ccccc1
    )OC[C@@H](CN2CCCCC2)OC(=O)Nc3ccccc3    		 Diperodon;
    [(2~{R})-2-(phenylcarbamoyloxy)-3-piperidin-1-yl-propyl] ~{N}-phenylcarbamate
    32542
    POX
    CHEMBL255237
    ZINC000016052679    		 1 C22 H22 F N7 O2 InChI=1S/C22H22FN7O2/c1-3
    1-7-8-32-28-12-19-21(24)2
    5-14-26-22(19)29-18-5-6-2
    0-16(10-18)11-27-30(20)13
    -15-3-2-4-17(23)9-15/h2-6
    ,9-12,14H,7-8,13H2,1H3,(H
    3,24,25,26,29)/b28-12+;
    KSGYKTRNRCPDHT-KVSWJAHQSA-N    		 Fc1cccc(c1)Cn3ncc2cc(ccc23)Nc4ncnc(N)c4\
    C=N\OCCOC; COCCO/N=C/c1c(N)ncnc1Nc2ccc3n
    (Cc4cccc(F)c4)ncc3c2; COCCON=Cc1c(ncnc1N
    c2ccc3c(c2)cnn3Cc4cccc(c4)F)N; COCCO/N=C
    /c1c(ncnc1Nc2ccc3c(c2)cnn3Cc4cccc(c4)F)N
    ; COCCON=Cc1c(N)ncnc1Nc2ccc3n(Cc4cccc(F)
    c4)ncc3c2    		 4-amino-6-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}pyrimidine-5-carbaldehyde O-(2-methoxyethyl)oxime
    32543
    POY
    CHEMBL1079905
    DB06479
    ZINC000001915505    		 5 C15 H22 N4 O3 InChI=1S/C15H22N4O3/c1-4-
    8-18-10-16-13-12(18)14(21
    )19(15(22)17(13)3)9-6-5-7
    -11(2)20/h10H,4-9H2,1-3H3;
    RBQOQRRFDPXAGN-UHFFFAOYSA-N    		 CCCn1cnc2c1C(=O)N(C(=O)N2C)CCCCC(=O)C; C
    CCn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12;
    O=C2c1n(cnc1N(C(=O)N2CCCCC(=O)C)C)CCC    		 3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione;
    Propentofylline
    32544
    POZ
    ZINC000058632326    		 1 C37 H42 F2 N8 O4 InChI=1S/C37H42F2N8O4/c1-
    3-35(26(2)48)47-36(49)46(
    25-42-47)30-7-5-28(6-8-30
    )43-16-18-44(19-17-43)29-
    9-11-31(12-10-29)50-21-32
    -14-15-37(51-32,22-45-24-
    40-23-41-45)33-13-4-27(38
    )20-34(33)39/h4-13,20,23-
    26,32,35,48H,3,14-19,21-2
    2H2,1-2H3/t26-,32-,35-,37
    +/m0/s1;
    IEAWASLYDSYMSP-OLBKAPGZSA-N    		 CC[CH]([CH](C)O)N1N=CN(C1=O)c2ccc(cc2)N3
    CCN(CC3)c4ccc(OC[CH]5CC[C](Cn6cncn6)(O5)
    c7ccc(F)cc7F)cc4; CC[C@@H]([C@H](C)O)N1N
    =CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@
    @H]5CC[C@](Cn6cncn6)(O5)c7ccc(F)cc7F)cc4
    ; CCC(C(C)O)N1C(=O)N(C=N1)c2ccc(cc2)N3CC
    N(CC3)c4ccc(cc4)OCC5CCC(O5)(Cn6cncn6)c7c
    cc(cc7F)F; O=C1N(N=CN1c2ccc(cc2)N7CCN(c6
    ccc(OCC4OC(c3ccc(F)cc3F)(CC4)Cn5ncnc5)cc
    6)CC7)C(CC)C(O)C; CC[C@@H]([C@H](C)O)N1C
    (=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4
    )OC[C@@H]5CC[C@@](O5)(Cn6cncn6)c7ccc(cc7
    F)F
    32545
    PP0
    ZINC000020861097    		 1 C23 H31 N3 O3 InChI=1S/C23H31N3O3/c1-5-
    26-18(4)20(17(3)21(26)23(
    28)29-6-2)22(27)25-14-12-
    24(13-15-25)16-19-10-8-7-
    9-11-19/h7-11H,5-6,12-16H
    2,1-4H3;
    BEPDKTMMVYTHND-UHFFFAOYSA-N    		 CCOC(=O)c1n(CC)c(C)c(c1C)C(=O)N2CCN(CC2)
    Cc3ccccc3; O=C(OCC)c1c(c(c(n1CC)C)C(=O)N
    3CCN(Cc2ccccc2)CC3)C; CCn1c(c(c(c1C(=O)O
    CC)C)C(=O)N2CCN(CC2)Cc3ccccc3)C    		 ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
    32546
    PP1
    CHEMBL306380
    DB01809
    ZINC000002047275    		 10 C16 H19 N5 InChI=1S/C16H19N5/c1-10-5
    -7-11(8-6-10)13-12-14(17)
    18-9-19-15(12)21(20-13)16
    (2,3)4/h5-9H,1-4H3,(H2,17
    ,18,19);
    ZVPDNRVYHLRXLX-UHFFFAOYSA-N    		 Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N; C
    c1ccc(cc1)c2nn(c3ncnc(N)c23)C(C)(C)C; n1
    c(c2c(nc1)n(nc2c3ccc(cc3)C)C(C)(C)C)N    		 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
    32547
    PP2
    DB03023    		 11 C15 H17 Cl N5 InChI=1S/C15H16ClN5/c1-15
    (2,3)21-14-11(13(17)18-8-
    19-14)12(20-21)9-4-6-10(1
    6)7-5-9/h4-8H,1-3H3,(H2,1
    7,18,19)/p+1;
    PBBRWFOVCUAONR-UHFFFAOYSA-O    		 Clc3ccc(c1[nH+]n(c2ncnc(c12)N)C(C)(C)C)c
    c3; CC(C)(C)n1[nH+]c(c2ccc(Cl)cc2)c3c(N)
    ncnc13; CC(C)(C)n1c2c(c([nH+]1)c3ccc(cc3
    )Cl)c(ncn2)N    		 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
    32548
    PP3
    DB04467
    ZINC000002046812    		 11 C11 H17 N2 O7 P InChI=1S/C11H17N2O7P/c1-6
    -10(14)9(4-13-7(2)11(15)1
    6)8(3-12-6)5-20-21(17,18)
    19/h3,7,13-14H,4-5H2,1-2H
    3,(H,15,16)(H2,17,18,19)/
    t7-/m0/s1;
    WACJCHFWJNNBPR-ZETCQYMHSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O
    )O)O; C[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=
    O)C(O)=O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O
    )(O)O)C; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)
    C(=O)O)O; C[C@H](NCc1c(O)c(C)ncc1CO[P](O
    )(O)=O)C(O)=O    		 ALANYL-PYRIDOXAL-5'-PHOSPHATE;
    PYRIDOXYL-ALANINE-5-PHOSPHATE;
    VITAMIN B6 COMPLEXED WITH ALANINE
    32549
    PP4    		 1 C28 H32 N2 O7 P InChI=1S/C28H33N2O7P/c1-1
    9(2)26(29-18-31)27(32)30-
    25(17-21-13-14-22-11-7-8-
    12-23(22)15-21)38(34,35)3
    7-24(28(33)36-3)16-20-9-5
    -4-6-10-20/h4-15,18-19,24
    -26H,16-17H2,1-3H3,(H,29,
    31)(H,30,32)(H,34,35)/p-1
    /t24-,25+,26-/m0/s1;
    SBIPQEWAZQAMRY-NXCFDTQHSA-M    		 CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc2ccccc2c1
    )[P@@](=O)([O-])O[C@@H](Cc3ccccc3)C(=O)O
    C)NC=O; COC(=O)[C@H](Cc1ccccc1)O[P]([O-]
    )(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](
    NC=O)C(C)C; COC(=O)[CH](Cc1ccccc1)O[P]([
    O-])(=O)[CH](Cc2ccc3ccccc3c2)NC(=O)[CH](
    NC=O)C(C)C; O=CNC(C(=O)NC(Cc2cc1ccccc1cc
    2)P([O-])(=O)OC(C(=O)OC)Cc3ccccc3)C(C)C;
    CC(C)C(C(=O)NC(Cc1ccc2ccccc2c1)P(=O)([O
    -])OC(Cc3ccccc3)C(=O)OC)NC=O    		 METHYL (2S)-[1-((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE
    32550
    PP5    		 1 C28 H32 N2 O7 P InChI=1S/C28H33N2O7P/c1-1
    9(2)26(30-25(31)17-22-14-
    9-13-21-12-7-8-15-23(21)2
    2)27(32)29-18-38(34,35)37
    -24(28(33)36-3)16-20-10-5
    -4-6-11-20/h4-15,19,24,26
    H,16-18H2,1-3H3,(H,29,32)
    (H,30,31)(H,34,35)/p-1/t2
    4-,26-/m0/s1;
    AYDPZCGMCQBSDG-AHWVRZQESA-M    		 COC(=O)[C@H](Cc1ccccc1)O[P]([O-])(=O)CNC
    (=O)[C@@H](NC(=O)Cc2cccc3ccccc23)C(C)C;
    O=C(NC(C(=O)NCP([O-])(=O)OC(C(=O)OC)Cc1c
    cccc1)C(C)C)Cc3c2ccccc2ccc3; CC(C)C(C(=O
    )NCP(=O)([O-])OC(Cc1ccccc1)C(=O)OC)NC(=O
    )Cc2cccc3c2cccc3; CC(C)[C@@H](C(=O)NC[P@
    ](=O)([O-])O[C@@H](Cc1ccccc1)C(=O)OC)NC(
    =O)Cc2cccc3c2cccc3; COC(=O)[CH](Cc1ccccc
    1)O[P]([O-])(=O)CNC(=O)[CH](NC(=O)Cc2ccc
    c3ccccc23)C(C)C    		 METHYL (2S)-[1-((N-(NAPHTHALENEACETYL))-L-VALYL)AMINOMETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE
    32551
    PP6    		 2 C29 H32 N2 O7 P InChI=1S/C29H33N2O7P/c1-1
    8(2)27-28(33)31-26(39(35,
    36)38-24(29(34)37-3)15-19
    -8-5-4-6-9-19)16-20-12-13
    -21-10-7-11-22(23(21)14-2
    0)17-25(32)30-27/h4-14,18
    ,24,26-27H,15-17H2,1-3H3,
    (H,30,32)(H,31,33)(H,35,3
    6)/p-1/t24-,26+,27-/m0/s1;
    BJANYCOFDSBOJK-OIKPOIBNSA-M    		 CC(C)[C@H]1C(=O)N[C@@H](Cc2ccc3cccc(c3c2
    )CC(=O)N1)[P@@](=O)([O-])O[C@@H](Cc4cccc
    c4)C(=O)OC; O=C(OC)C(OP([O-])(=O)C3NC(=O
    )C(NC(=O)Cc1c2c(ccc1)ccc(c2)C3)C(C)C)Cc4
    ccccc4; CC(C)C1C(=O)NC(Cc2ccc3cccc(c3c2)
    CC(=O)N1)P(=O)([O-])OC(Cc4ccccc4)C(=O)OC
    ; COC(=O)[CH](Cc1ccccc1)O[P]([O-])(=O)[C
    H]2Cc3ccc4cccc(CC(=O)N[CH](C(C)C)C(=O)N2
    )c4c3; COC(=O)[C@H](Cc1ccccc1)O[P]([O-])
    (=O)[C@@H]2Cc3ccc4cccc(CC(=O)N[C@@H](C(C
    )C)C(=O)N2)c4c3    		 METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE]
    32552
    PP7
    CHEMBL541675
    ZINC000026501085    		 1 C30 H47 N4 O9 P InChI=1S/C30H47N4O9P/c1-1
    7(2)11-25(36)33-27(19(5)6
    )29(38)32-22-15-24(35)31-
    16-21-10-8-9-20(13-21)14-
    23(30(39)42-7)43-44(40,41
    )26(12-18(3)4)34-28(22)37
    /h8-10,13,17-19,22-23,26-
    27H,11-12,14-16H2,1-7H3,(
    H,31,35)(H,32,38)(H,33,36
    )(H,34,37)(H,40,41)/t22-,
    23-,26+,27-/m0/s1;
    BOYAGOIPWLIWCX-IDJLGEMNSA-N    		 COC(=O)[CH]1Cc2cccc(CNC(=O)C[CH](NC(=O)[
    CH](NC(=O)CC(C)C)C(C)C)C(=O)N[CH](CC(C)C
    )[P](O)(=O)O1)c2; CC(C)CC1NC(=O)C(CC(=O)
    NCc2cccc(c2)CC(OP1(=O)O)C(=O)OC)NC(=O)C(
    C(C)C)NC(=O)CC(C)C; COC(=O)[C@@H]1Cc2ccc
    c(CNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)CC(C)
    C)C(C)C)C(=O)N[C@@H](CC(C)C)[P@](O)(=O)O
    1)c2; CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)NCc
    2cccc(c2)C[C@H](O[P@]1(=O)O)C(=O)OC)NC(=
    O)[C@H](C(C)C)NC(=O)CC(C)C; O=C(NC(C(=O)
    NC2C(=O)NC(CC(C)C)P(=O)(O)OC(C(=O)OC)Cc1
    cc(ccc1)CNC(=O)C2)C(C)C)CC(C)C    		 METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL)PHENYLPROPANOATE
    32553
    PP8
    CHEMBL557341
    ZINC000015297976    		 1 C29 H47 N4 O9 P InChI=1S/C29H47N4O9P/c1-1
    7(2)13-24(35)32-26(19(5)6
    )28(37)31-21(16-23(30)34)
    27(36)33-25(14-18(3)4)43(
    39,40)42-22(29(38)41-7)15
    -20-11-9-8-10-12-20/h8-12
    ,17-19,21-22,25-26H,13-16
    H2,1-7H3,(H2,30,34)(H,31,
    37)(H,32,35)(H,33,36)(H,3
    9,40)/t21-,22-,25+,26-/m0
    /s1;
    SGKZZKPYLILTJX-RLBRRGQKSA-N    		 CC(C)CC(NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC
    (=O)CC(C)C)P(=O)(O)OC(Cc1ccccc1)C(=O)OC;
    O=C(NC(C(=O)NC(C(=O)NC(CC(C)C)P(=O)(OC(
    C(=O)OC)Cc1ccccc1)O)CC(=O)N)C(C)C)CC(C)C
    ; COC(=O)[CH](Cc1ccccc1)O[P](O)(=O)[CH](
    CC(C)C)NC(=O)[CH](CC(N)=O)NC(=O)[CH](NC(
    =O)CC(C)C)C(C)C; CC(C)C[C@H](NC(=O)[C@H]
    (CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)
    [P@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC; CO
    C(=O)[C@H](Cc1ccccc1)O[P@](O)(=O)[C@H](C
    C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N
    C(=O)CC(C)C)C(C)C    		 2-[(1R)-1-(N-(3-METHYLBUTANOYL)-L-VALYL-L-ASPARAGINYL)-AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOIC ACID METHYLESTER
    32554
    PP9
    CHEMBL1618319    		 27 C34 H34 N4 O4 InChI=1S/C34H34N4O4/c1-7-
    21-17(3)25-13-26-19(5)23(
    9-11-33(39)40)31(37-26)16
    -32-24(10-12-34(41)42)20(
    6)28(38-32)15-30-22(8-2)1
    8(4)27(36-30)14-29(21)35-
    25/h7-8,13-16,36-37H,1-2,
    9-12H2,3-6H3,(H,39,40)(H,
    41,42)/b25-13-,26-13-,27-
    14-,28-15-,29-14-,30-15-,
    31-16-,32-16-;
    FEDYMSUPMFCVOD-UJJXFSCMSA-N    		 Cc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(C)c
    5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O
    ; Cc1c2cc3nc(cc4c(c(c([nH]4)cc5nc(cc(c1C
    CC(=O)O)[nH]2)C(=C5C)CCC(=O)O)C=C)C)C(=C
    3C)C=C; O=C(O)CCc5c2nc(cc4nc(cc1c(c(\C=C
    )c(n1)cc3nc(c2)C(=C3C)CCC(=O)O)C)C(\C=C)
    =C4C)c5C; Cc1c2\cc\3/nc(\cc/4\c(c(/c(/[n
    H]4)c/c5n/c(c\c(c1CCC(=O)O)[nH]2)/C(=C5C
    )CCC(=O)O)C=C)C)C(=C3C)C=C    		 PROTOPORPHYRIN IX
    32555
    PPB
    DB08420
    ZINC000169748507    		 1 C23 H27 B N4 O4 InChI=1S/C23H27BN4O4/c25-
    15-18-9-4-8-17(12-18)14-2
    1(24(31)32)27-22(29)20-10
    -5-11-28(20)23(30)19(26)1
    3-16-6-2-1-3-7-16/h1-4,6-
    9,12,19-21,31-32H,5,10-11
    ,13-14,26H2,(H,27,29)/t19
    -,20+,21+/m1/s1;
    UFOIPTZMXQILSG-HKBOAZHASA-N    		 N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[
    C@@H](Cc3cccc(c3)C#N)B(O)O; B(C(Cc1cccc(
    c1)C#N)NC(=O)C2CCCN2C(=O)C(Cc3ccccc3)N)(
    O)O; N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O
    )N[CH](Cc3cccc(c3)C#N)B(O)O; O=C(NC(B(O)
    O)Cc1cccc(C#N)c1)C3N(C(=O)C(N)Cc2ccccc2)
    CCC3; B([C@H](Cc1cccc(c1)C#N)NC(=O)[C@@H
    ]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)(O)O    		 1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID;
    (D)PHE-PRO-BOROPHE(M-CN)
    32556
    PPC
    DB04294
    ZINC000012504276    		 7 C6 H15 O13 P3 InChI=1S/C6H15O13P3/c7-4-
    3(1-17-22(14,15)16)18-6(5
    (4)8)19-21(12,13)2-20(9,1
    0)11/h3-8H,1-2H2,(H,12,13
    )(H2,9,10,11)(H2,14,15,16
    )/t3-,4-,5-,6-/m1/s1;
    JFMKBQDEISBIPL-KVTDHHQDSA-N    		 O=P(OC1OC(C(O)C1O)COP(=O)(O)O)(O)CP(=O)(
    O)O; C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@
    ](=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O; O[C@H
    ]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(O)=O)O
    [P@@](O)(=O)C[P](O)(O)=O; C(C1C(C(C(O1)O
    P(=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O; O[CH]
    1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)
    (=O)C[P](O)(O)=O    		 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose;
    5-PHOSPHORIBOSYL-1-(BETA-METHYLENE) PYROPHOSPHATE;
    1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribose;
    1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-D-ribose;
    1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-ribose
    32557
    PPD
    ZINC000015278583    		 9 C12 H17 N2 O9 P InChI=1S/C12H17N2O9P/c1-6
    -11(17)8(4-14-9(12(18)19)
    2-10(15)16)7(3-13-6)5-23-
    24(20,21)22/h3,9,14,17H,2
    ,4-5H2,1H3,(H,15,16)(H,18
    ,19)(H2,20,21,22)/t9-/m0/
    s1;
    UKHLSCZNRCHWTM-VIFPVBQESA-N    		 Cc1ncc(CO[P](O)(O)=O)c(CN[C@@H](CC(O)=O)
    C(O)=O)c1O; O=C(O)CC(C(=O)O)NCc1c(cnc(c1
    O)C)COP(=O)(O)O; Cc1ncc(CO[P](O)(O)=O)c(
    CN[CH](CC(O)=O)C(O)=O)c1O; Cc1c(c(c(cn1)
    COP(=O)(O)O)CNC(CC(=O)O)C(=O)O)O; Cc1c(c
    (c(cn1)COP(=O)(O)O)CN[C@@H](CC(=O)O)C(=O
    )O)O    		 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYLENE)-AMINO]-SUCCINIC ACID;
    PYRIDOXYL-ASPARTIC ACID-5-MONOPHOSPHATE
    32558
    PPE
    DB01813    		 10 C13 H20 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)/p
    +1/t10-/m0/s1;
    JMRKOGDJNHPMHS-JTQLQIEISA-O    		 Cc1c(c(c(c[nH+]1)COP(=O)(O)O)CN[C@@H](CC
    C(=O)O)C(=O)O)O; Cc1[nH+]cc(CO[P](O)(O)=
    O)c(CN[CH](CCC(O)=O)C(O)=O)c1O; Cc1[nH+]
    cc(CO[P](O)(O)=O)c(CN[C@@H](CCC(O)=O)C(O
    )=O)c1O; Cc1c(c(c(c[nH+]1)COP(=O)(O)O)CN
    C(CCC(=O)O)C(=O)O)O; O=C(O)C(NCc1c(c[nH+
    ]c(c1O)C)COP(=O)(O)O)CCC(=O)O    		 4-[(1,3-DICARBOXY-PROPYLAMINO)-METHYL]-3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDINIUM;
    PYRIDOXYL-GLUTAMIC ACID-5'-MONOPHOSPHATE
    32559
    PPF
    CHEMBL666
    DB00529
    ZINC000008101109    		 16 C H3 O5 P InChI=1S/CH3O5P/c2-1(3)7(
    4,5)6/h(H,2,3)(H2,4,5,6);
    ZJAOAACCNHFJAH-UHFFFAOYSA-N    		 OC(=O)[P](O)(O)=O; O=C(O)P(=O)(O)O; C(=O
    )(O)P(=O)(O)O    		 PHOSPHONOFORMIC ACID
    32560
    PPG
    DB03287
    ZINC000098209316    		 18 C14 H20 N3 O8 P InChI=1S/C14H20N3O8P/c1-9
    -13(18)11(10(6-16-9)8-25-
    26(21,22)23)7-17-12(14(19
    )20)2-4-24-5-3-15/h2,4,6,
    18H,3,5,7-8,15H2,1H3,(H,1
    9,20)(H2,21,22,23)/b4-2+,
    17-12+;
    OBCQKAZQAHYUOZ-CALQLVRRSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CN=C(C=COCCN)C(
    =O)O)O; O=P(O)(O)OCc1cnc(c(O)c1C/N=C(\C=
    C\OCCN)C(=O)O)C; Cc1ncc(CO[P](O)(O)=O)c(
    CN=C(\C=C\OCCN)C(O)=O)c1O; Cc1ncc(CO[P](
    O)(O)=O)c(CN=C(C=COCCN)C(O)=O)c1O; Cc1c(
    c(c(cn1)COP(=O)(O)O)C/N=C(\C=C\OCCN)/C(=
    O)O)O    		 (2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid
    32561
    PPH
    CHEMBL40813
    ZINC000003953934    		 10 C8 H12 N O3 P InChI=1S/C8H12NO3P/c9-8(1
    3(10,11)12)6-7-4-2-1-3-5-
    7/h1-5,8H,6,9H2,(H2,10,11
    ,12)/t8-/m1/s1;
    FQCNOURLMNHAQN-MRVPVSSYSA-N    		 c1ccc(cc1)CC(N)P(=O)(O)O; c1ccc(cc1)C[C@
    H](N)P(=O)(O)O; N[CH](Cc1ccccc1)[P](O)(O
    )=O; N[C@@H](Cc1ccccc1)[P](O)(O)=O; O=P(
    O)(O)C(N)Cc1ccccc1    		 [(1R)-1-amino-2-phenylethyl]phosphonic acid
    32562
    PPI
    CHEMBL14021
    DB03766
    ZINC000006050663    		 0 C3 H6 O2 InChI=1S/C3H6O2/c1-2-3(4)
    5/h2H2,1H3,(H,4,5);
    XBDQKXXYIPTUBI-UHFFFAOYSA-N    		 CCC(=O)O; CCC(O)=O; O=C(O)CC PROPANOIC ACID
    32563
    PPJ
    ZINC000058632774    		 4 C13 H19 N2 O8 P InChI=1S/C13H19N2O8P/c1-7
    (16)3-11(13(18)19)15-5-10
    -9(6-23-24(20,21)22)4-14-
    8(2)12(10)17/h4-5,7,11,16
    -17H,3,6H2,1-2H3,(H,18,19
    )(H2,20,21,22)/b15-5+/t7-
    ,11-/m0/s1;
    XZPXXYMXESJHME-PMICCBOBSA-N    		 C[CH](O)C[CH](N=Cc1c(O)c(C)ncc1CO[P](O)(
    O)=O)C(O)=O; C[C@H](O)C[C@H](N=Cc1c(O)c(
    C)ncc1CO[P](O)(O)=O)C(O)=O; Cc1c(c(c(cn1
    )COP(=O)(O)O)C=NC(CC(C)O)C(=O)O)O; Cc1c(
    c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](C[C@H](C
    )O)C(=O)O)O; O=C(O)C(/N=C/c1c(cnc(c1O)C)
    COP(=O)(O)O)CC(O)C    		 N-(HYDROXY{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)NORVALINE
    32564
    PPK
    DB03075    		 60 H6 N O9 P3 InChI=1S/H6NO9P3/c2-11(3,
    4)1-12(5,6)10-13(7,8)9/h(
    H2,7,8,9)(H4,1,2,3,4,5,6);
    PELPUMGXMYVGSQ-UHFFFAOYSA-N    		 O[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O; O=P(
    OP(=O)(O)O)(O)NP(=O)(O)O; N(P(=O)(O)O)P(
    =O)(O)OP(=O)(O)O; N(P(=O)(O)O)[P@](=O)(O
    )OP(=O)(O)O; O[P](O)(=O)N[P@@](O)(=O)O[P
    ](O)(O)=O    		 (DIPHOSPHONO)AMINOPHOSPHONIC ACID
    32565
    PPL    		 0 C10 H20 N2 O InChI=1S/C10H20N2O/c1-10(
    2,3)12-9(13)8-6-4-5-7-11-
    8/h8,11H,4-7H2,1-3H3,(H,1
    2,13)/t8-/m0/s1;
    BZRGONFHSWNSQA-QMMMGPOBSA-N    		 O=C(NC(C)(C)C)C1NCCCC1; CC(C)(C)NC(=O)[C
    @@H]1CCCCN1; CC(C)(C)NC(=O)C1CCCCN1; CC(
    C)(C)NC(=O)[CH]1CCCCN1    		 PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE
    32566
    PPM    		 0 C H5 O3 P InChI=1/CH5O3P/c1-5(2,3)4
    /h1H3,(H2,2,3,4)/f/h2-3H;
    YACKEPLHDIMKIO-IBIRENAJCP    		 C[P](O)(O)=O; CP(=O)(O)O; O=P(O)(O)C PHOSPHONOMETHYL GROUP
    32567
    PPN
    ZINC000000043864    		 2 C9 H10 N2 O4 InChI=1S/C9H10N2O4/c10-8(
    9(12)13)5-6-1-3-7(4-2-6)1
    1(14)15/h1-4,8H,5,10H2,(H
    ,12,13)/t8-/m0/s1;
    GTVVZTAFGPQSPC-QMMMGPOBSA-N    		 c1cc(ccc1C[C@@H](C(=O)O)N)[N+](=O)[O-];
    N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(O)=O;
    c1cc(ccc1CC(C(=O)O)N)[N+](=O)[O-]; N[CH]
    (Cc1ccc(cc1)[N+]([O-])=O)C(O)=O; [O-][N+
    ](=O)c1ccc(cc1)CC(N)C(=O)O    		 PARA-NITROPHENYLALANINE
    32568
    PPO
    DB03153
    ZINC000012503118    		 2 C5 H4 N4 O InChI=1S/C5H4N4O/c10-5-4-
    3(1-8-9-4)6-2-7-5/h2H,1H2
    ,(H,6,7,10);
    OGCXIHWGXUQTCQ-UHFFFAOYSA-N    		 c1nc2c(c(n1)O)N=NC2; Oc1ncnc2CN=Nc12; n2
    c1c(N=NC1)c(nc2)O    		 3H-PYRAZOLO[4,3-D]PYRIMIDIN-7-OL
    32569
    PPP    		 0 C9 H12 O2 InChI=1S/C9H12O2/c10-7-9(
    11)6-8-4-2-1-3-5-8/h1-5,9
    -11H,6-7H2/t9-/m0/s1;
    JHWQMXKQJVAWKI-VIFPVBQESA-N    		 c1ccc(cc1)CC(CO)O; c1ccc(cc1)C[C@@H](CO)
    O; OC[CH](O)Cc1ccccc1; OC(Cc1ccccc1)CO;
    OC[C@@H](O)Cc1ccccc1    		 3-PHENYL-1,2-PROPANDIOL
    32570
    PPQ
    CHEMBL145114
    ZINC000000902209    		 29 C5 H12 N O4 P InChI=1S/C5H12NO4P/c1-11(
    9,10)3-2-4(6)5(7)8/h4H,2-
    3,6H2,1H3,(H,7,8)(H,9,10)
    /t4-/m0/s1;
    IAJOBQBIJHVGMQ-BYPYZUCNSA-N    		 C[P@](O)(=O)CC[C@H](N)C(O)=O; O=P(O)(C)C
    CC(C(=O)O)N; CP(=O)(CCC(C(=O)O)N)O; C[P@
    ](=O)(CC[C@@H](C(=O)O)N)O; C[P](O)(=O)CC
    [CH](N)C(O)=O    		 PHOSPHINOTHRICIN;
    2-AMINO-4-(HYDROXYMETHYL-PHOSPHINYL)BUTANOIC ACID
    32571
    PPR
    DB02522
    ZINC000004095926    		 2 C3 H5 O6 P InChI=1S/C3H5O6P/c4-2(3(5
    )6)1-10(7,8)9/h1H2,(H,5,6
    )(H2,7,8,9);
    CHDDAVCOAOFSLD-UHFFFAOYSA-N    		 O=C(O)C(=O)CP(=O)(O)O; OC(=O)C(=O)C[P](O
    )(O)=O; C(C(=O)C(=O)O)P(=O)(O)O    		 PHOSPHONOPYRUVATE
    32572
    PPS
    DB02902
    ZINC000004228233    		 19 C10 H15 N5 O13 P2 S InChI=1S/C10H15N5O13P2S/c
    11-8-5-9(13-2-12-8)15(3-1
    4-5)10-6(16)7(27-29(17,18
    )19)4(26-10)1-25-30(20,21
    )28-31(22,23)24/h2-4,6-7,
    10,16H,1H2,(H,20,21)(H2,1
    1,12,13)(H2,17,18,19)(H,2
    2,23,24)/t4-,6-,7-,10-/m1
    /s1;
    GACDQMDRPRGCTN-KQYNXXCUSA-N    		 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(
    =O)O[S](O)(=O)=O)[C@@H](O[P](O)(O)=O)[C@
    H]3O; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O
    )(=O)O[S](O)(=O)=O)[CH](O[P](O)(O)=O)[CH
    ]3O; O=S(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(n
    cnc12)N)C(O)C3OP(=O)(O)O; c1nc(c2c(n1)n(
    cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@]
    (=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N; c1nc(
    c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OS(=O)
    (=O)O)OP(=O)(O)O)O)N    		 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE
    32573
    PPT
    CHEMBL1235413
    DB03400
    ZINC000000135745    		 1 C10 H12 O2 InChI=1S/C10H12O2/c1-8-2-
    4-9(5-3-8)6-7-10(11)12/h2
    -5H,6-7H2,1H3,(H,11,12);
    LDYGRLNSOKABMM-UHFFFAOYSA-N    		 O=C(O)CCc1ccc(cc1)C; Cc1ccc(CCC(O)=O)cc1
    ; Cc1ccc(cc1)CCC(=O)O    		 3-(P-TOLYL)PROPIONIC ACID
    32574
    PPU
    ZINC000058632803    		 0 C22 H30 N7 O8 P InChI=1S/C22H30N7O8P/c1-2
    8(2)19-17-20(25-10-24-19)
    29(11-26-17)22-18(30)16(1
    5(37-22)9-36-38(32,33)34)
    27-21(31)14(23)8-12-4-6-1
    3(35-3)7-5-12/h4-7,10-11,
    14-16,18,22,30H,8-9,23H2,
    1-3H3,(H,27,31)(H2,32,33,
    34)/t14-,15+,16+,18+,22+/
    m0/s1;
    NYICMZBLMICLBS-NVWDDTSBSA-N    		 CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H
    ]([C@H](O3)COP(=O)(O)O)NC(=O)[C@H](Cc4cc
    c(cc4)OC)N)O; CN(C)c1c2c(ncn1)n(cn2)C3C(
    C(C(O3)COP(=O)(O)O)NC(=O)C(Cc4ccc(cc4)OC
    )N)O; COc1ccc(C[CH](N)C(=O)N[CH]2[CH](O)
    [CH](O[CH]2CO[P](O)(O)=O)n3cnc4c(ncnc34)
    N(C)C)cc1; COc1ccc(C[C@H](N)C(=O)N[C@H]2
    [C@@H](O)[C@@H](O[C@@H]2CO[P](O)(O)=O)n3
    cnc4c(ncnc34)N(C)C)cc1; O=P(O)(O)OCC4OC(
    n2cnc1c2ncnc1N(C)C)C(O)C4NC(=O)C(N)Cc3cc
    c(OC)cc3    		 PUROMYCIN-5'-MONOPHOSPHATE
    32575
    PPV
    CHEMBL1160571
    DB04160
    ZINC000006827695    		 85 H4 O7 P2 InChI=1S/H4O7P2/c1-8(2,3)
    7-9(4,5)6/h(H2,1,2,3)(H2,
    4,5,6);
    XPPKVPWEQAFLFU-UHFFFAOYSA-N    		 O=P(O)(O)OP(=O)(O)O; O[P](O)(=O)O[P](O)(
    O)=O; OP(=O)(O)OP(=O)(O)O    		 PYROPHOSPHATE
    32576
    PPW
    ZINC000058638362    		 0 C10 H14 N5 O7 P InChI=1S/C10H14N5O7P/c11-
    10-13-8-4(9(17)14-10)2-12
    -15(8)7-1-5(16)6(22-7)3-2
    1-23(18,19)20/h2,5-7,16H,
    1,3H2,(H2,18,19,20)(H3,11
    ,13,14,17)/t5-,6+,7+/m0/s
    1;
    KGWPGOYMIMMQGK-RRKCRQDMSA-N    		 c1c2c(n(n1)[C@H]3C[C@@H]([C@H](O3)COP(=O
    )(O)O)O)N=C(NC2=O)N; O=C1c2cnn(c2N=C(N)N
    1)C3OC(C(O)C3)COP(=O)(O)O; c1c2c(n(n1)C3
    CC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)N; NC1=N
    c2n(ncc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](
    O)(O)=O)O3; NC1=Nc2n(ncc2C(=O)N1)[C@H]3C
    [C@H](O)[C@@H](CO[P](O)(O)=O)O3    		 7-DEAZA-8-AZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
    32577
    PPX
    CHEMBL65273
    DB08422
    ZINC000003871334    		 1 C21 H27 N5 O2 InChI=1S/C21H27N5O2/c22-1
    8(15-16-5-2-1-3-6-16)21(2
    8)26-14-4-7-19(26)20(27)2
    5-13-12-24-17-8-10-23-11-
    9-17/h1-3,5-6,8-11,18-19H
    ,4,7,12-15,22H2,(H,23,24)
    (H,25,27)/t18-,19+/m1/s1;
    GEIDRYBJURDUSW-MOPGFXCFSA-N    		 c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCCNc3ccnc
    c3)N; N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C
    (=O)NCCNc3ccncc3; N[CH](Cc1ccccc1)C(=O)N
    2CCC[CH]2C(=O)NCCNc3ccncc3; O=C(NCCNc1cc
    ncc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3; c1ccc(
    cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCCNc3cc
    ncc3)N    		 [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE
    32578
    PPY
    CHEMBL1162488
    DB03884
    ZINC000000901485    		 41 C9 H8 O3 InChI=1S/C9H8O3/c10-8(9(1
    1)12)6-7-4-2-1-3-5-7/h1-5
    H,6H2,(H,11,12);
    BTNMPGBKDVTSJY-UHFFFAOYSA-N    		 c1ccc(cc1)CC(=O)C(=O)O; OC(=O)C(=O)Cc1cc
    ccc1; O=C(C(=O)O)Cc1ccccc1    		 3-PHENYLPYRUVIC ACID
    32579
    PPZ
    DB01994
    ZINC000003581236    		 0 C11 H11 N5 O InChI=1S/C11H11N5O/c17-6-
    4-12-10-9-11(14-7-13-10)1
    6-5-2-1-3-8(16)15-9/h1-3,
    5,7,17H,4,6H2,(H,12,13,14
    );
    QBILBVYKWQWDQJ-UHFFFAOYSA-N    		 OCCNc1ncnc2n3ccccc3nc12; OCCNc3ncnc2c3nc
    1ccccn12; c1ccn2c(c1)nc3c2ncnc3NCCO    		 2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETHANOL
    32580
    PQ0
    CHEMBL577120
    DB03074
    ZINC000005973818    		 11 C7 H5 N5 O InChI=1S/C7H5N5O/c8-1-3-2
    -10-5-4(3)6(13)12-7(9)11-
    5/h2H,(H4,9,10,11,12,13);
    FMKSMYDYKXQYRV-UHFFFAOYSA-N    		 NC1=Nc2[nH]cc(C#N)c2C(=O)N1; c1c(c2c([nH
    ]1)N=C(NC2=O)N)C#N; N#Cc1cnc2N=C(NC(=O)c
    12)N    		 2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE;
    7-DEAZA-7-CYANO-GUANINE
    32581
    PQ1
    ZINC000058638898    		 0 C12 H18 N5 O8 P InChI=1S/C12H18N5O8P/c13-
    1-4-2-17(9-6(4)10(20)16-1
    2(14)15-9)11-8(19)7(18)5(
    25-11)3-24-26(21,22)23/h2
    ,5,7-8,11,18-19H,1,3,13H2
    ,(H2,21,22,23)(H3,14,15,1
    6,20)/t5-,7-,8-,11-/m1/s1;
    GIQSPNMTDJCDKB-IOSLPCCCSA-N    		 O=C1c2c(N=C(N)N1)n(cc2CN)C3OC(C(O)C3O)CO
    P(=O)(O)O; c1c(c2c(n1C3C(C(C(O3)COP(=O)(
    O)O)O)O)N=C(NC2=O)N)CN; NCc1cn([CH]2O[CH
    ](CO[P](O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC
    (=O)c13; c1c(c2c(n1[C@H]3[C@@H]([C@@H]([
    C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN;
    NCc1cn([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H
    ](O)[C@H]2O)c3N=C(N)NC(=O)c13    		 PHOSPHORIC ACID MONO-[5-(2-AMINO-5-AMINOMETHYL-4-OXO-3,5-DIHYDRO-4H-PYRIDO[2,3-D]PYRIMIDIN-8-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER
    32582
    PQ2    		 2 C42 H48 N4 O16 InChI=1S/C42H48N4O16/c1-4
    1(17-39(59)60)23(5-9-35(5
    1)52)29-14-27-21(11-37(55
    )56)19(3-7-33(47)48)25(43
    -27)13-26-20(4-8-34(49)50
    )22(12-38(57)58)28(44-26)
    15-31-42(2,18-40(61)62)24
    (6-10-36(53)54)30(46-31)1
    6-32(41)45-29/h14-16,23-2
    4,43-44,46H,3-13,17-18H2,
    1-2H3,(H,47,48)(H,49,50)(
    H,51,52)(H,53,54)(H,55,56
    )(H,57,58)(H,59,60)(H,61,
    62)/b29-14-,30-16-,31-15-
    /t23?,24?,41-,42-/m0/s1;
    CSWLXNNNLVVXKD-ORDMNHKBSA-N    		 CC\1(C(/C/2=C/C3=N/C(=C\c4c(c(c([nH]4)Cc
    5c(c(c([nH]5)/C=C1\N2)CC(=O)O)CCC(=O)O)C
    CC(=O)O)CC(=O)O)/C(C3(C)CC(=O)O)CCC(=O)O
    )CCC(=O)O)CC(=O)O; N3=C4C=C5C(C(C(=Cc1nc
    (c(CCC(O)=O)c1CC(O)=O)Cc2c(c(c(n2)C=C3C(
    C4(CC(=O)O)C)CCC(O)=O)CC(O)=O)CCC(O)=O)N
    5)(C)CC(O)=O)CCC(O)=O; CC1(C(C2=CC3=NC(=
    Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C=C1N2)CC(
    =O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)C(C3(C)CC
    (=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O; C[C@]\1
    (CC(O)=O)[C@H](CCC(O)=O)/C2=C/C3=N\C(=C/
    c4[nH]c(Cc5[nH]c(/C=C\1N2)c(CC(O)=O)c5CC
    C(O)=O)c(CCC(O)=O)c4CC(O)=O)[C@@H](CCC(O
    )=O)[C@]3(C)CC(O)=O; C[C]1(CC(O)=O)[CH](
    CCC(O)=O)C2=CC3=NC(=Cc4[nH]c(Cc5[nH]c(C=
    C1N2)c(CC(O)=O)c5CCC(O)=O)c(CCC(O)=O)c4C
    C(O)=O)[CH](CCC(O)=O)[C]3(C)CC(O)=O    		 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1 2,18-tetrayl]tetrapropanoic acid;
    Precorrin-2
    32583
    PQ3    		 0 C34 H26 N6 O2 InChI=1S/C34H24N6O2/c1-39
    -19-25(17-23-7-3-5-9-29(2
    3)39)35-33(41)27-15-13-21
    -11-12-22-14-16-28(38-32(
    22)31(21)37-27)34(42)36-2
    6-18-24-8-4-6-10-30(24)40
    (2)20-26/h3-20H,1-2H3/p+2;
    CTOLNXAGCUTHBW-UHFFFAOYSA-P    		 C[n+]1cc(cc2c1cccc2)NC(=O)c3ccc4ccc5ccc(
    nc5c4n3)C(=O)Nc6cc7ccccc7[n+](c6)C; C[n+
    ]1cc(cc2ccccc21)NC(=O)c1nc2c(cc1)ccc1ccc
    (nc12)C(=O)Nc1cc2ccccc2[n+](C)c1; C[n+]1
    cc(NC(=O)c2ccc3ccc4ccc(nc4c3n2)C(=O)Nc5c
    c6ccccc6[n+](C)c5)cc7ccccc17    		 N2,N9-bis(1-methylquinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide;
    Phen-DC3
    32584
    PQ4    		 0 C9 H9 N O3 InChI=1S/C9H9NO3/c10-8(9(
    12)13)5-6-1-3-7(11)4-2-6/
    h1-5,11H,10H2,(H,12,13)/b
    8-5-;
    VWVGLOXKDVGAFA-YVMONPNESA-N    		 c1cc(ccc1C=C(C(=O)O)N)O; c1cc(ccc1/C=C(/
    C(=O)O)\N)O; NC(=Cc1ccc(O)cc1)C(O)=O; N\
    C(=C/c1ccc(O)cc1)C(O)=O    		 (2Z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoic acid
    32585
    PQ5
    CHEMBL4795226    		 8 C17 H16 N4 O4 InChI=1S/C17H16N4O4/c22-1
    7(23)12-2-1-11-9-14(12)25
    -8-7-24-6-4-18-15-3-5-21-
    16(20-15)13(11)10-19-21/h
    1-3,5,9-10H,4,6-8H2,(H,18
    ,20)(H,22,23);
    ZZVWSUCYWBUTCA-UHFFFAOYSA-N    		 OC(=O)c1ccc2cc1OCCOCCNc3ccn4ncc2c4n3; c1
    cc(c2cc1-c3cnn4c3nc(cc4)NCCOCCO2)C(=O)O    		 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid
    32586
    PQ6    		 3 C20 H18 Cl N3 O2 InChI=1S/C20H18ClN3O2/c21
    -14-5-6-18-16(9-14)20(12-
    22,7-8-26-18)19(25)24-17-
    11-23-10-13-3-1-2-4-15(13
    )17/h1-6,9-11H,7-8,12,22H
    2,(H,24,25)/t20-/m0/s1;
    ILSGMAUMNXSNQB-FQEVSTJZSA-N    		 c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)C
    l)CN; Clc1ccc2OCCC(CN)(c2c1)C(=O)Nc1cncc
    2ccccc21; c1ccc2c(c1)cncc2NC(=O)[C@@]3(C
    COc4c3cc(cc4)Cl)CN; NC[C@]1(CCOc2ccc(Cl)
    cc12)C(=O)Nc3cncc4ccccc34; NC[C]1(CCOc2c
    cc(Cl)cc12)C(=O)Nc3cncc4ccccc34    		 (4R)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    32587
    PQ7
    CHEMBL3140162
    ZINC000103262564    		 1 C34 H42 N4 InChI=1S/C34H42N4/c1-35(2
    )33-17-23-36(24-18-33)27-
    31-13-9-29(10-14-31)7-3-4
    -8-30-11-15-32(16-12-30)2
    8-37-25-19-34(20-26-37)38
    -21-5-6-22-38/h9-20,23-26
    H,3-8,21-22,27-28H2,1-2H3
    /q+2;
    OXXBKOUHROTSGV-UHFFFAOYSA-N    		 CN(C)c1cc[n+](Cc2ccc(CCCCc3ccc(C[n+]4ccc
    (cc4)N5CCCC5)cc3)cc2)cc1; C([n+]1ccc(cc1
    )N(C)C)c5ccc(CCCCc4ccc(C[n+]2ccc(cc2)N3C
    CCC3)cc4)cc5; CN(C)c1cc[n+](cc1)Cc2ccc(c
    c2)CCCCc3ccc(cc3)C[n+]4ccc(cc4)N5CCCC5    		 4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin-1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium
    32588
    PQ8
    CHEMBL4793819    		 2 C22 H26 N4 O7 InChI=1S/C22H26N4O7/c1-22
    (2,3)33-21(31)25(8-10-32-
    11-9-27)18-6-7-26-19(24-1
    8)16(13-23-26)14-4-5-15(2
    0(29)30)17(28)12-14/h4-7,
    12-13,27-28H,8-11H2,1-3H3
    ,(H,29,30);
    DBCKRCZJYUIKNW-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)N(CCOCCO)c1ccn2c(n1)c(cn2)
    c3ccc(c(c3)O)C(=O)O; CC(C)(C)OC(=O)N(CCO
    CCO)c1ccn2ncc(c3ccc(C(O)=O)c(O)c3)c2n1    		 4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid
    32589
    PQ9
    ZINC000058638363    		 0 C43 H64 O2 InChI=1S/C43H64O2/c1-32(2
    )17-11-18-33(3)19-12-20-3
    4(4)21-13-22-35(5)23-14-2
    4-36(6)25-15-26-37(7)27-1
    6-28-38(8)29-30-41-31-42(
    44)39(9)40(10)43(41)45/h1
    7,19,21,23,25,27,29,31H,1
    1-16,18,20,22,24,26,28,30
    H2,1-10H3/b33-19+,34-21+,
    35-23+,36-25+,37-27+,38-2
    9+;
    JXUCGUASMMLSBH-HOHOQCMASA-N    		 CC1=C(C(=O)C(=CC1=O)C/C=C(\C)/CC/C=C(\C)
    /CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C
    (\C)/CCC=C(C)C)C; CC(C)=CCCC(C)=CCCC(C)=
    CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=CC(
    =O)C(=C(C)C1=O)C; CC1=C(C(=O)C(=CC1=O)CC
    =C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC
    =C(C)CCC=C(C)C)C; CC(C)=CCCC(/C)=C/CCC(/
    C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/
    C)=C/CC1=CC(=O)C(=C(C)C1=O)C; O=C1C(=CC(
    =O)C(=C1C)C)C\C=C(/C)CC\C=C(/C)CC\C=C(/C
    )CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C
    )C    		 5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE
    32590
    PQA
    DB08423
    ZINC000053683154    		 1 C21 H21 F N4 O2 InChI=1S/C21H21FN4O2/c22-
    15-4-6-16(7-5-15)26-21(23
    )19(13-25-26)20(27)14-2-1
    -3-18(12-14)28-17-8-10-24
    -11-9-17/h1-7,12-13,17,24
    H,8-11,23H2;
    QKZZJXRGCHXIAI-UHFFFAOYSA-N    		 Nc1n(ncc1C(=O)c2cccc(OC3CCNCC3)c2)c4ccc(
    F)cc4; Fc1ccc(cc1)n2ncc(c2N)C(=O)c4cc(OC
    3CCNCC3)ccc4; c1cc(cc(c1)OC2CCNCC2)C(=O)
    c3cnn(c3N)c4ccc(cc4)F    		 [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE
    32591
    PQB
    CHEMBL203567
    DB08424    		 2 C19 H18 F N3 O4 InChI=1S/C19H18FN3O4/c20-
    13-4-6-14(7-5-13)23-19(21
    )17(9-22-23)18(26)12-2-1-
    3-16(8-12)27-11-15(25)10-
    24/h1-9,15,24-25H,10-11,2
    1H2/t15-/m0/s1;
    IJDQETGUEUJVTB-HNNXBMFYSA-N    		 Fc3ccc(n1ncc(c1N)C(=O)c2cccc(OCC(O)CO)c2
    )cc3; c1cc(cc(c1)OCC(CO)O)C(=O)c2cnn(c2N
    )c3ccc(cc3)F; Nc1n(ncc1C(=O)c2cccc(OC[CH
    ](O)CO)c2)c3ccc(F)cc3; Nc1n(ncc1C(=O)c2c
    ccc(OC[C@@H](O)CO)c2)c3ccc(F)cc3; c1cc(c
    c(c1)OC[C@H](CO)O)C(=O)c2cnn(c2N)c3ccc(c
    c3)F    		 [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
    32592
    PQC
    ZINC000066165940    		 2 C22 H16 N4 O2 S2 InChI=1S/C22H16N4O2S2/c23
    -30(27,28)17-8-4-7-16(11-
    17)25-22-24-13-15-9-10-19
    -18(21(15)26-22)12-20(29-
    19)14-5-2-1-3-6-14/h1-13H
    ,(H2,23,27,28)(H,24,25,26
    );
    ZSSGEBJSMMYEMX-UHFFFAOYSA-N    		 O=S(=O)(N)c1cccc(c1)Nc2nc4c(cn2)ccc3sc(c
    c34)c5ccccc5; c1ccc(cc1)c2cc3c(s2)ccc4c3
    nc(nc4)Nc5cccc(c5)S(=O)(=O)N; N[S](=O)(=
    O)c1cccc(Nc2ncc3ccc4sc(cc4c3n2)c5ccccc5)
    c1    		 3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide
    32593
    PQD    		 1 C17 H16 N6 InChI=1S/C17H16N6/c18-11-
    3-1-2-10(8-11)9-23-7-6-12
    -14(23)5-4-13-15(12)16(19
    )22-17(20)21-13/h1-8H,9,1
    8H2,(H4,19,20,21,22);
    DNYUNVSBWOHMOD-UHFFFAOYSA-N    		 Nc1cccc(Cn2ccc3c2ccc4nc(N)nc(N)c34)c1; c
    1cc(cc(c1)N)Cn2ccc3c2ccc4c3c(nc(n4)N)N;
    c1c(N)cccc1Cn4c3ccc2nc(N)nc(c2c3cc4)N    		 7-[(3-aminophenyl)methyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
    32594
    PQE
    ZINC000058638364    		 3 C29 H60 O8 InChI=1S/C29H60O8/c1-2-3-
    4-5-6-7-8-9-10-12-16-31-2
    1-24-35-26-28-37-29-27-36
    -25-22-33-18-14-11-13-17-
    32-20-23-34-19-15-30/h30H
    ,2-29H2,1H3;
    GEEFJAPPTAALTR-UHFFFAOYSA-N    		 O(CCCCCOCCOCCO)CCOCCOCCOCCOCCCCCCCCCCCC;
    CCCCCCCCCCCCOCCOCCOCCOCCOCCCCCOCCOCCO    		 3,6,12,15,18,21,24-HEPTAOXAHEXATRIACONTAN-1-OL;
    ANAPOE-C12E8
    32595
    PQF
    CHEMBL5028051    		 1 C30 H32 F N5 O2 InChI=1S/C30H32FN5O2/c1-1
    8-28(35(4)34-33-18)21-14-
    26-27(32-17-21)22-15-24(3
    1)23(30(2,3)37)16-25(22)3
    6(26)29(19-8-6-5-7-9-19)2
    0-10-12-38-13-11-20/h5-9,
    14-17,20,29,37H,10-13H2,1
    -4H3/t29-/m1/s1;
    UJARZGSRRXPOTK-GDLZYMKVSA-N    		 Cn1nnc(C)c1c2cnc3c(c2)n([C@@H](C4CCOCC4)
    c5ccccc5)c6cc(c(F)cc36)C(C)(C)O; CC(C)(O
    )c1cc2n(c3cc(cnc3c2cc1F)c1c(C)nnn1C)C(C1
    CCOCC1)c1ccccc1; Cc1c(n(nn1)C)c2cc3c(c4c
    c(c(cc4n3C(c5ccccc5)C6CCOCC6)C(C)(C)O)F)
    nc2; Cc1c(n(nn1)C)c2cc3c(c4cc(c(cc4n3[C@
    H](c5ccccc5)C6CCOCC6)C(C)(C)O)F)nc2; Cn1
    nnc(C)c1c2cnc3c(c2)n([CH](C4CCOCC4)c5ccc
    cc5)c6cc(c(F)cc36)C(C)(C)O    		 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol
    32596
    PQG    		 0 C13 H17 N O2 InChI=1S/C13H17NO2/c14-13
    (12(15)16)8-6-11(7-9-13)1
    0-4-2-1-3-5-10/h1-5,11H,6
    -9,14H2,(H,15,16)/t11-,13
    +;
    TWAYLYPZRSXEOS-BJHJDKERSA-N    		 c1ccc(cc1)C2CCC(CC2)(C(=O)O)N; c1(ccccc1
    )C2CCC(N)(C(O)=O)CC2; N[C]1(CC[CH](CC1)c
    2ccccc2)C(O)=O; N[C@]1(CC[C@H](CC1)c2ccc
    cc2)C(O)=O    		 cis-1-amino-4-phenylcyclohexane-1-carboxylic acid
    32597
    PQH
    CHEMBL4644620
    ZINC000032627358    		 1 C7 H6 F3 N O2 InChI=1S/C7H6F3NO2/c1-3-4
    (6(12)13)2-5(11-3)7(8,9)1
    0/h2,11H,1H3,(H,12,13);
    FZYQYTJVKWEWQJ-UHFFFAOYSA-N    		 Cc1[nH]c(cc1C(O)=O)C(F)(F)F; Cc1c(cc([nH
    ]1)C(F)(F)F)C(=O)O    		 2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid
    32598
    PQI    		 2 C23 H25 Cl N4 O2 InChI=1S/C23H25ClN4O2/c1-
    3-20(29)28-9-8-27-11-15-5
    -6-17(22(24)23(15)30-13-1
    6(27)12-28)21-14(2)4-7-19
    -18(21)10-25-26-19/h4-7,1
    0,16H,3,8-9,11-13H2,1-2H3
    ,(H,25,26)/t16-/m0/s1;
    TUSIXDDNOBGGRH-INIZCTEOSA-N    		 CCC(=O)N1CCN2Cc3ccc(c(c3OC[C@@H]2C1)Cl)c
    4c(ccc5c4c[nH]n5)C; CCC(=O)N1CCN2Cc3ccc(
    c(c3OCC2C1)Cl)c4c(ccc5c4c[nH]n5)C; CCC(=
    O)N1CCN2Cc3ccc(c(Cl)c3OC[C@@H]2C1)c4c(C)
    ccc5n[nH]cc45; CCC(=O)N1CCN2Cc3ccc(c(Cl)
    c3OC[CH]2C1)c4c(C)ccc5n[nH]cc45    		 1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one
    32599
    PQJ    		 50 C19 H43 N O4 P InChI=1S/C19H43NO4P/c1-5-
    6-7-8-9-10-11-12-13-14-15
    -16-18-23-25(21,22)24-19-
    17-20(2,3)4/h5-19H2,1-4H3
    ,(H,21,22);
    JOPCRKJIQSCIFM-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C; CC
    CCCCCCCCCCCCO[P](O)(=O)OCC[N](C)(C)C    		 fos-choline-14;
    tetradecyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate
    32600
    PQK
    CHEMBL1577069
    ZINC000000159030    		 1 C10 H13 N O2 InChI=1S/C10H13NO2/c1-6-5
    -9(10(12)13)7(2)11(6)8-3-
    4-8/h5,8H,3-4H2,1-2H3,(H,
    12,13);
    VOOZJPFNBFNPEK-UHFFFAOYSA-N    		 Cc1cc(c(n1C2CC2)C)C(=O)O; Cc1cc(C(O)=O)c
    (C)n1C2CC2    		 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid
    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)(download the PDF file).
  • 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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