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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    33401
    POP    		 728 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-
    33402
    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
    33403
    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)
    33404
    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
    33405
    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
    33406
    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
    33407
    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
    33408
    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
    33409
    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
    33410
    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
    33411
    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
    33412
    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
    33413
    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
    33414
    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
    33415
    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
    33416
    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
    33417
    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
    33418
    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]
    33419
    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
    33420
    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
    33421
    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
    33422
    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)
    33423
    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
    33424
    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
    33425
    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
    33426
    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
    33427
    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
    33428
    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
    33429
    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
    33430
    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
    33431
    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
    33432
    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
    33433
    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
    33434
    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
    33435
    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
    33436
    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
    33437
    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
    33438
    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
    33439
    PPS
    DB02902
    ZINC000004228233    		 20 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
    33440
    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
    33441
    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
    33442
    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
    33443
    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
    33444
    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
    33445
    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
    33446
    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
    33447
    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
    33448
    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
    33449
    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
    33450
    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
    33451
    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
    33452
    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
    33453
    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
    33454
    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
    33455
    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
    33456
    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
    33457
    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
    33458
    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
    33459
    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
    33460
    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
    33461
    PQE
    ZINC000058638364    		 5 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
    33462
    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
    33463
    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
    33464
    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
    33465
    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
    33466
    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
    33467
    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
    33468
    PQL    		 1 C22 H30 F3 N5 O4 S2 InChI=1S/C22H30F3N5O4S2/c
    1-20(2,3)15(29-19(34)22(2
    3,24)25)18(33)30-11-21(35
    -6-7-36-21)9-14(30)17(32)
    28-13(10-26)8-12-4-5-27-1
    6(12)31/h12-15H,4-9,11H2,
    1-3H3,(H,27,31)(H,28,32)(
    H,29,34)/t12-,13-,14-,15+
    /m0/s1;
    LQBRGTAIBBFUJJ-ZQDZILKHSA-N    		 CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1CC2(C
    [CH]1C(=O)N[CH](C[CH]3CCNC3=O)C#N)SCCS2;
    CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CC2
    (C[C@H]1C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N
    )SCCS2; CC(C)(C)C(C(=O)N1CC2(CC1C(=O)NC(
    CC3CCNC3=O)C#N)SCCS2)NC(=O)C(F)(F)F; CC(
    C)(C)[C@@H](C(=O)N1CC2(C[C@H]1C(=O)N[C@@
    H](C[C@@H]3CCNC3=O)C#N)SCCS2)NC(=O)C(F)(
    F)F    		 (8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
    33469
    PQM
    CHEMBL4539725
    ZINC000001437372    		 1 C12 H9 N O2 InChI=1S/C12H9NO2/c14-12(
    15)10-5-3-9(4-6-10)11-2-1
    -7-13-8-11/h1-8H,(H,14,15
    );
    GYUKEVKPDRXPAB-UHFFFAOYSA-N    		 OC(=O)c1ccc(cc1)c2cccnc2; c1cc(cnc1)c2cc
    c(cc2)C(O)=O; c1cc(cnc1)c2ccc(cc2)C(=O)O    		 4-(pyridin-3-yl)benzoic acid
    33470
    PQN
    CHEMBL1550
    DB01022
    ZINC000003831332    		 391 C31 H46 O2 InChI=1S/C31H46O2/c1-22(2
    )12-9-13-23(3)14-10-15-24
    (4)16-11-17-25(5)20-21-27
    -26(6)30(32)28-18-7-8-19-
    29(28)31(27)33/h7-8,18-20
    ,22-24H,9-17,21H2,1-6H3/b
    25-20+/t23-,24-/m1/s1;
    MBWXNTAXLNYFJB-NKFFZRIASA-N    		 CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCCC(C)CC
    CC(C)CCCC(C)C; O=C2c1c(cccc1)C(=O)C(=C2C
    )C\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C; CC1=C(
    C(=O)c2ccccc2C1=O)C\C=C(/C)\CCC[C@H](C)C
    CC[C@H](C)CCCC(C)C; CC(C)CCC[CH](C)CCC[C
    H](C)CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O;
    CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(/C)=C
    /CC1=C(C)C(=O)c2ccccc2C1=O    		 PHYLLOQUINONE;
    VITAMIN K1;
    2-METHYL-3-PHYTYL-1,4-NAPHTHOQUINONE
    33471
    PQO
    CHEMBL5268084    		 1 C6 H5 Br N2 O3 InChI=1S/C6H5BrN2O3/c7-3-
    1-2(10)5(11)4(9-3)6(8)12/
    h1,11H,(H2,8,12)(H,9,10);
    WVSCZJMUZSYCEH-UHFFFAOYSA-N    		 NC(=O)C1=C(O)C(=O)C=C(Br)N1; OC1=C(NC(Br
    )=CC1=O)C(N)=O; C1=C(NC(=C(C1=O)O)C(=O)N
    )Br    		 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide
    33472
    PQP
    CHEMBL4543910
    ZINC000000158888    		 1 C10 H8 N2 O2 InChI=1S/C10H8N2O2/c13-10
    (14)8-1-3-9(4-2-8)12-6-5-
    11-7-12/h1-7H,(H,13,14);
    LFIDZIWWYNTQOQ-UHFFFAOYSA-N    		 OC(=O)c1ccc(cc1)n2ccnc2; c1cc(ccc1C(=O)O
    )n2ccnc2; c1cn(cn1)c2ccc(C(O)=O)cc2    		 4-(1H-imidazol-1-yl)benzoic acid
    33473
    PQQ
    CHEMBL1235421
    DB03205
    ZINC000001532545    		 109 C14 H6 N2 O8 InChI=1S/C14H6N2O8/c17-10
    -4-2-6(14(23)24)15-8(4)7-
    3(12(19)20)1-5(13(21)22)1
    6-9(7)11(10)18/h1-2,15H,(
    H,19,20)(H,21,22)(H,23,24
    );
    MMXZSJMASHPLLR-UHFFFAOYSA-N    		 c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)
    C(=O)O)C(=O)O; OC(=O)c1[nH]c2c(c1)C(=O)C
    (=O)c3nc(cc(C(O)=O)c23)C(O)=O; O=C(O)c1c
    3c(nc(C(=O)O)c1)C(=O)C(=O)c2cc(C(=O)O)nc
    23    		 PYRROLOQUINOLINE QUINONE
    33474
    PQR
    CHEMBL1256623
    ZINC000003870870    		 3 C7 H8 N2 O3 InChI=1S/C7H8N2O3/c1-9(8-
    12)5-2-3-6(10)7(11)4-5/h2
    -4,10-11H,1H3;
    XAKAQCMEMMZUEO-UHFFFAOYSA-N    		 O=NN(c1cc(O)c(O)cc1)C; CN(c1ccc(c(c1)O)O
    )N=O; CN(N=O)c1ccc(O)c(O)c1    		 4-[methyl(nitroso)amino]benzene-1,2-diol;
    Methyl-3,4-dephostatin
    33475
    PQS
    CHEMBL3542351
    ZINC000000338742    		 2 C12 H9 N O2 InChI=1S/C12H9NO2/c14-12(
    15)10-6-4-9(5-7-10)11-3-1
    -2-8-13-11/h1-8H,(H,14,15
    );
    AQIPNZHMXANQRC-UHFFFAOYSA-N    		 c1ccnc(c1)c2ccc(cc2)C(=O)O; OC(=O)c1ccc(
    cc1)c2ccccn2; c2(ccc(c1ccccn1)cc2)C(O)=O    		 4-(pyridin-2-yl)benzoic acid
    33476
    PQT
    ZINC000084499328    		 1 C11 H12 Cl N O2 InChI=1S/C11H12ClNO2/c12-
    9-3-1-2-4-10(9)13-6-5-8(7
    -13)11(14)15/h1-4,8H,5-7H
    2,(H,14,15)/t8-/m1/s1;
    FPGYADRKFPWWLU-MRVPVSSYSA-N    		 OC(=O)[CH]1CCN(C1)c2ccccc2Cl; c1ccc(c(c1
    )N2CCC(C2)C(=O)O)Cl; c1ccc(c(c1)N2CC[C@H
    ](C2)C(=O)O)Cl; OC(=O)[C@@H]1CCN(C1)c2cc
    ccc2Cl    		 (3~{R})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
    33477
    PQU    		 3 C21 H17 N3 O4 InChI=1S/C21H17N3O4/c1-21
    (15-12-13-18(22-14-15)27-
    17-10-6-3-7-11-17)19(25)2
    4(20(26)28-21)23-16-8-4-2
    -5-9-16/h2-14,23H,1H3/t21
    -/m0/s1;
    QOFLFGUNPBNKDO-NRFANRHFSA-N    		 CC1(OC(=O)N(Nc2ccccc2)C1=O)c1cnc(Oc2cccc
    c2)cc1; CC1(C(=O)N(C(=O)O1)Nc2ccccc2)c3c
    cc(nc3)Oc4ccccc4; C[C]1(OC(=O)N(Nc2ccccc
    2)C1=O)c3ccc(Oc4ccccc4)nc3; C[C@@]1(C(=O
    )N(C(=O)O1)Nc2ccccc2)c3ccc(nc3)Oc4ccccc4
    ; C[C@]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc
    4ccccc4)nc3    		 (5S)-3-anilino-5-methyl-5-(6-phenoxypyridin-3-yl)-1,3-oxazolidine-2,4-dione
    33478
    PQV
    ZINC000013957020    		 4 C10 H19 N3 O2 InChI=1S/C10H19N3O2/c14-1
    0(9-12-15)11-5-8-13-6-3-1
    -2-4-7-13/h9,15H,1-8H2,(H
    ,11,14)/b12-9+;
    VIABFASHQHHYNB-FMIVXFBMSA-N    		 C1CCCN(CC1)CCNC(=O)C=NO; C1CCCN(CC1)CCNC
    (=O)/C=N/O; ON=CC(=O)NCCN1CCCCCC1; O/N=C
    /C(=O)NCCN1CCCCCC1; C1N(CCCCC1)CCNC(\C=N
    \O)=O    		 (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide
    33479
    PQW
    CHEMBL3327299
    ZINC000098209317    		 5 C27 H27 N5 O2 S2 InChI=1S/C27H27N5O2S2/c28
    -26(24-6-2-12-35-24)31-18
    -8-10-21(11-9-18)33-17-20
    -15-23(16-30-20)34-22-5-1
    -4-19(14-22)32-27(29)25-7
    -3-13-36-25/h1-14,20,23,3
    0H,15-17H2,(H2,28,31)(H2,
    29,32)/t20-,23+/m0/s1;
    MVLJJSCAHWVTFO-NZQKXSOJSA-N    		 NC(=Nc1ccc(OC[CH]2C[CH](CN2)Oc3cccc(NC(=
    N)c4sccc4)c3)cc1)c5sccc5; c1cc(cc(c1)OC2
    CC(NC2)COc3ccc(cc3)N=C(c4cccs4)N)NC(=N)c
    5cccs5; N(/c4ccc(OCC3NCC(Oc2cccc(NC(=[N@
    H])c1sccc1)c2)C3)cc4)=C(\N)c5sccc5; [H]/
    N=C(/c1cccs1)\Nc2cccc(c2)O[C@@H]3C[C@H](
    NC3)COc4ccc(cc4)N=C(c5cccs5)N; NC(=Nc1cc
    c(OC[C@@H]2C[C@H](CN2)Oc3cccc(NC(=N)c4sc
    cc4)c3)cc1)c5sccc5    		 N'-[4-[[(2S,4R)-4-[3-[(C-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]phenyl]thiophene-2-carboximidamide
    33480
    PQX    		 0 C18 H21 N O2 InChI=1S/C18H21NO2/c1-13(
    19-11-9-15(10-12-19)18(20
    )21)16-8-4-6-14-5-2-3-7-1
    7(14)16/h2-8,13,15H,9-12H
    2,1H3,(H,20,21)/t13-/m1/s
    1;
    KGMWLBRRSONKQK-CYBMUJFWSA-N    		 CC(c1cccc2c1cccc2)N3CCC(CC3)C(=O)O; C[CH
    ](N1CCC(CC1)C(O)=O)c2cccc3ccccc23; C[C@@
    H](N1CCC(CC1)C(O)=O)c2cccc3ccccc23; C[C@
    H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)O    		 1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
    33481
    PQY    		 1 C13 H24 N6 O4 InChI=1S/C13H24N6O4/c20-1
    2(10-16-22)14-2-6-18-4-1-
    5-19(9-8-18)7-3-15-13(21)
    11-17-23/h10-11,22-23H,1-
    9H2,(H,14,20)(H,15,21)/b1
    6-10+,17-11+;
    DFNMYOZHKNITMF-OTYYAQKOSA-N    		 O\N=C\C(=O)NCCN1CCCN(CCNC(=O)\C=N\O)CC1;
    N1(CCNC(\C=N\O)=O)CCN(CCNC([C@H]=NO)=O)
    CCC1; C1CN(CCN(C1)CCNC(=O)C=NO)CCNC(=O)C
    =NO; C1CN(CCN(C1)CCNC(=O)/C=N/O)CCNC(=O)
    /C=N/O; ON=CC(=O)NCCN1CCCN(CCNC(=O)C=NO)
    CC1    		 (2E,2'E)-N,N'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide]
    33482
    PQZ
    CHEMBL4647574
    ZINC000022212771    		 1 C11 H15 N O2 InChI=1S/C11H15NO2/c1-7-5
    -10(11(13)14)8(2)12(7)6-9
    -3-4-9/h5,9H,3-4,6H2,1-2H
    3,(H,13,14);
    IRPSDSAYDMWHCN-UHFFFAOYSA-N    		 Cc1cc(C(O)=O)c(C)n1CC2CC2; Cc1cc(c(n1CC2
    CC2)C)C(=O)O    		 1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid
    33483
    PR    		 2 Pr InChI=1S/Pr/q+3;
    WCWKKSOQLQEJTE-UHFFFAOYSA-N    		 [Pr+3] PRASEODYMIUM ION
    33484
    PR0    		 0 C10 H15 N O InChI=1S/C10H15NO/c1-8(12
    )10(11)7-9-5-3-2-4-6-9/h2
    -6,8,10,12H,7,11H2,1H3/t8
    -,10+/m1/s1;
    SMZUMFSKQVVOOV-SCZZXKLOSA-N    		 CC(C(Cc1ccccc1)N)O; C[C@H]([C@H](Cc1cccc
    c1)N)O; C[CH](O)[CH](N)Cc1ccccc1; C[C@@H
    ](O)[C@@H](N)Cc1ccccc1; OC(C(N)Cc1ccccc1
    )C    		 3(S)-AMINO-4-PHENYL-BUTAN-2(R)-OL
    33485
    PR1
    CHEMBL330572
    DB02744
    ZINC000003873901    		 1 C19 H19 N5 O4 S2 InChI=1S/C19H19N5O4S2/c20
    -18(21)11-3-4-15(25)12(8-
    11)10-24-7-5-13(19(24)26)
    23-30(27,28)17-9-14-16(29
    -17)2-1-6-22-14/h1-4,6,8-
    9,13,23,25H,5,7,10H2,(H3,
    20,21)/t13-/m0/s1;
    PQJGWYQPOHCEDO-ZDUSSCGKSA-N    		 NC(=N)c1ccc(O)c(CN2CC[CH](N[S](=O)(=O)c3
    sc4cccnc4c3)C2=O)c1; c1cc2c(cc(s2)S(=O)(
    =O)NC3CCN(C3=O)Cc4cc(ccc4O)C(=N)N)nc1; O
    =C2N(Cc1cc(C(=[N@H])N)ccc1O)CCC2NS(=O)(=
    O)c4sc3cccnc3c4; c1cc2c(cc(s2)S(=O)(=O)N
    [C@H]3CCN(C3=O)Cc4cc(ccc4O)C(=N)N)nc1; N
    C(=N)c1ccc(O)c(CN2CC[C@H](N[S](=O)(=O)c3
    sc4cccnc4c3)C2=O)c1    		 4-HYDROXY-3-[2-OXO-3-(THIENO[3,2-B]PYRIDINE-2-SULFONYLAMINO)-PYRROLIDIN-1-YLMETHYL]-BENZAMIDINE;
    RPR131247
    33486
    PR2
    CHEMBL1235423
    DB08426
    ZINC000003815573    		 1 C19 H17 N5 O3 S2 InChI=1S/C19H17N5O3S2/c25
    -19-14(23-29(26,27)18-9-1
    5-17(28-18)2-1-5-21-15)4-
    7-24(19)11-13-8-12-3-6-20
    -10-16(12)22-13/h1-3,5-6,
    8-10,14,22-23H,4,7,11H2/t
    14-/m0/s1;
    PLXOQMHGHDZMSX-AWEZNQCLSA-N    		 c1cc2c(cc(s2)S(=O)(=O)NC3CCN(C3=O)Cc4cc5
    ccncc5[nH]4)nc1; O=C1[C@H](CCN1Cc2[nH]c3
    cnccc3c2)N[S](=O)(=O)c4sc5cccnc5c4; O=C3
    N(Cc2cc1ccncc1n2)CCC3NS(=O)(=O)c5sc4cccn
    c4c5; c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C
    3=O)Cc4cc5ccncc5[nH]4)nc1; O=C1[CH](CCN1
    Cc2[nH]c3cnccc3c2)N[S](=O)(=O)c4sc5cccnc
    5c4    		 THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE;
    RPR208707
    33487
    PR3
    DB03654
    ZINC000053684033    		 0 C6 H13 N O S2 InChI=1S/C6H13NOS2/c1-2-3
    -9-10-5-6(7)4-8/h4,6H,2-3
    ,5,7H2,1H3/t6-/m1/s1;
    JOUZYBMKOXDVCY-ZCFIWIBFSA-N    		 CCCSSCC(C=O)N; CCCSSC[C@H](N)C=O; O=CC(N
    )CSSCCC; CCCSSC[CH](N)C=O; CCCSSC[C@@H](
    C=O)N    		 S,S-PROPYLTHIOCYSTEINE
    33488
    PR4
    ZINC000058638492    		 0 C8 H13 N O5 InChI=1S/C8H13NO5/c10-6(8
    (13)14)4-9-3-1-2-5(9)7(11
    )12/h5-6,10H,1-4H2,(H,11,
    12)(H,13,14)/t5-,6+/m0/s1;
    VWTJOUUXTYKUIB-NTSWFWBYSA-N    		 C1C[C@H]([N@@](C1)C[C@H](C(=O)O)O)C(=O)O
    ; C1CC(N(C1)CC(C(=O)O)O)C(=O)O; O=C(O)C(
    O)CN1C(C(=O)O)CCC1; O[C@H](CN1CCC[C@H]1C
    (O)=O)C(O)=O; O[CH](CN1CCC[CH]1C(O)=O)C(
    O)=O    		 1-[(2R)-2-carboxy-2-hydroxyethyl]-L-proline
    33489
    PR5    		 0 C10 H13 N4 O7 P InChI=1/C10H13N4O7P/c15-7
    -6(2-20-22(17,18)19)21-10
    (8(7)16)14-4-13-5-1-11-3-
    12-9(5)14/h1,3-4,6-8,10,1
    5-16H,2H2,(H2,17,18,19)/t
    6-,7-,8-,10-/m1/s1/f/h17-
    18H;
    MCWDCZIDTUQRHK-DUAZENTCDO    		 c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@
    H](O3)COP(=O)(O)O)O)O; O[CH]1[CH](O)[CH]
    (O[CH]1CO[P](O)(O)=O)n2cnc3cncnc23; c1c2
    c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O;
    O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)
    (O)=O)n2cnc3cncnc23; O=P(O)(O)OCC3OC(n2c
    nc1cncnc12)C(O)C3O    		 PURINE RIBOSIDE-5'-MONOPHOSPHATE
    33490
    PR6    		 10 C3 H3 Cl O3 InChI=1S/C3H3ClO3/c4-2(5)
    1-3(6)7/h1H2,(H,6,7);
    UUOFSRVHZJTWDE-UHFFFAOYSA-N    		 C(C(=O)O)C(=O)Cl; OC(=O)CC(Cl)=O; ClC(=O
    )CC(=O)O    		 3-chloro-3-oxopropanoic acid
    33491
    PR7
    ZINC000066166270    		 0 C8 H13 N O5 InChI=1S/C8H13NO5/c10-6(8
    (13)14)4-9-3-1-2-5(9)7(11
    )12/h5-6,10H,1-4H2,(H,11,
    12)(H,13,14)/t5-,6-/m0/s1;
    VWTJOUUXTYKUIB-WDSKDSINSA-N    		 C1C[C@H]([N@@](C1)C[C@@H](C(=O)O)O)C(=O)
    O; C1CC(N(C1)CC(C(=O)O)O)C(=O)O; O[C@@H]
    (CN1CCC[C@H]1C(O)=O)C(O)=O; O=C(O)C(O)CN
    1C(C(=O)O)CCC1; O[CH](CN1CCC[CH]1C(O)=O)
    C(O)=O    		 1-[(2S)-2-carboxy-2-hydroxyethyl]-L-proline
    33492
    PR8
    ZINC000058660594    		 4 C15 H21 N6 O8 P InChI=1S/C15H21N6O8P/c16-
    12-9-13(19-5-18-12)21(6-2
    0-9)14-11(23)10(22)8(28-1
    4)4-27-30(25,26)29-15(24)
    7-2-1-3-17-7/h5-8,10-11,1
    4,17,22-23H,1-4H2,(H,25,2
    6)(H2,16,18,19)/t7-,8+,10
    +,11+,14+/m0/s1;
    KQFKHTAASHMYDJ-TWBCTODHSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O
    C(=O)C4CCCN4)O)O)N; c1nc(c2c(n1)n(cn2)[C
    @H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O
    )OC(=O)[C@@H]4CCCN4)O)O)N; Nc1ncnc2n(cnc
    12)[C@@H]3O[C@H](CO[P](O)(=O)OC(=O)[C@@H
    ]4CCCN4)[C@@H](O)[C@H]3O; Nc1ncnc2n(cnc1
    2)[CH]3O[CH](CO[P](O)(=O)OC(=O)[CH]4CCCN
    4)[CH](O)[CH]3O; O=P(OC(=O)C1NCCC1)(O)OC
    C4OC(n3cnc2c(ncnc23)N)C(O)C4O    		 5'-O-[(R)-hydroxy{[(2S)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine;
    prolyl-adenylate
    33493
    PR9
    ZINC000000391899    		 0 C5 H10 N2 O InChI=1S/C5H10N2O/c6-5(8)
    4-2-1-3-7-4/h4,7H,1-3H2,(
    H2,6,8)/t4-/m1/s1;
    VLJNHYLEOZPXFW-SCSAIBSYSA-N    		 NC(=O)[CH]1CCCN1; C1CC(NC1)C(=O)N; C1C[C
    @@H](NC1)C(=O)N; NC(=O)[C@H]1CCCN1; O=C(
    N)C1NCCC1    		 D-PROLINAMIDE
    33494
    PRA
    CHEMBL276864
    DB04410
    ZINC000001561633    		 6 C9 H13 N InChI=1S/C9H13N/c10-8-4-7
    -9-5-2-1-3-6-9/h1-3,5-6H,
    4,7-8,10H2;
    LYUQWQRTDLVQGA-UHFFFAOYSA-N    		 C(CCc1ccccc1)N; c1ccc(cc1)CCCN; NCCCc1cc
    ccc1    		 3-PHENYLPROPYLAMINE
    33495
    PRB
    CHEMBL1235429
    DB04376
    ZINC000013521034    		 1 C22 H30 O7 InChI=1S/C22H30O7/c1-10-6
    -15-20(27,17(10)25)8-13(9
    -23)7-14-16-19(4,5)22(16,
    29-12(3)24)18(26)11(2)21(
    14,15)28/h6-7,11,14-16,18
    ,23,26-28H,8-9H2,1-5H3/t1
    1-,14+,15-,16-,18-,20-,21
    -,22-/m1/s1;
    SDSVJYOOAPRSDA-RPCQODIISA-N    		 CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=
    C3)CO)O)C)O)OC(=O)C)O; C[CH]1[CH](O)[C]2
    (OC(C)=O)[CH]([CH]3C=C(CO)C[C]4(O)[CH](C
    =C(C)C4=O)[C]13O)C2(C)C; C[C@@H]1[C@@H](
    O)[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@
    @]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C;
    C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H
    ]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)
    O)C)O)OC(=O)C)O; O=C1C(=CC2C3(O)C(C)C(O)
    C4(OC(=O)C)C(C3C=C(CO)CC12O)C4(C)C)C    		 13-ACETYLPHORBOL
    33496
    PRC
    DB03878
    ZINC000008656718    		 2 C22 H18 N6 O InChI=1S/C22H18N6O/c1-15-
    6-7-18(26-21(29)17-5-3-10
    -24-14-17)12-20(15)28-22-
    25-11-8-19(27-22)16-4-2-9
    -23-13-16/h2-14H,1H3,(H,2
    6,29)(H,25,27,28);
    YWQVBESSYLICRX-UHFFFAOYSA-N    		 Cc1ccc(NC(=O)c2cccnc2)cc1Nc3nccc(n3)c4cc
    cnc4; O=C(c1cccnc1)Nc2cc(c(cc2)C)Nc3nc(c
    cn3)c4cccnc4; Cc1ccc(cc1Nc2nccc(n2)c3ccc
    nc3)NC(=O)c4cccnc4    		 N-[4-METHYL-3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE
    33497
    PRD
    CHEMBL32113
    DB02583    		 1 C17 H20 N6 O2 InChI=1S/C17H20N6O2/c1-23
    (9-10-6-12(24-2)4-5-14(10
    )25-3)11-7-13-15(18)21-17
    (19)22-16(13)20-8-11/h4-8
    H,9H2,1-3H3,(H4,18,19,20,
    21,22);
    HZTFNSCZLJLPEO-UHFFFAOYSA-N    		 C[N@](Cc1cc(ccc1OC)OC)c2cc3c(nc(nc3nc2)N
    )N; n1cc(cc2c1nc(nc2N)N)N(Cc3cc(OC)ccc3O
    C)C; COc1ccc(OC)c(CN(C)c2cnc3nc(N)nc(N)c
    3c2)c1; CN(Cc1cc(ccc1OC)OC)c2cc3c(nc(nc3
    nc2)N)N    		 N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE
    33498
    PRE
    DB08427
    ZINC000100036740    		 31 C10 H10 O6 InChI=1S/C10H10O6/c11-6-1
    -3-10(4-2-6,9(15)16)5-7(1
    2)8(13)14/h1-4,6,11H,5H2,
    (H,13,14)(H,15,16)/t6-,10
    +;
    FPWMCUPFBRFMLH-XGAOUMNUSA-N    		 O=C(C(=O)O)CC1(C=CC(O)C=C1)C(=O)O; C1=CC
    (C=CC1O)(CC(=O)C(=O)O)C(=O)O; O[C@H]1C=C
    [C@](CC(=O)C(O)=O)(C=C1)C(O)=O; O[CH]1C=
    C[C](CC(=O)C(O)=O)(C=C1)C(O)=O    		 PREPHENIC ACID
    33499
    PRF
    CHEMBL1235432
    DB03304
    ZINC000003869370    		 23 C7 H9 N5 O InChI=1S/C7H9N5O/c8-1-3-2
    -10-5-4(3)6(13)12-7(9)11-
    5/h2H,1,8H2,(H4,9,10,11,1
    2,13);
    MEYMBLGOKYDGLZ-UHFFFAOYSA-N    		 NCc1c[nH]c2N=C(N)NC(=O)c12; c1c(c2c([nH]
    1)N=C(NC2=O)N)CN; O=C1c2c(cnc2N=C(N1)N)C
    N    		 7-DEAZA-7-AMINOMETHYL-GUANINE
    33500
    PRH
    DB03015    		 6 C10 H15 N4 O5 InChI=1S/C10H14N4O5/c15-1
    -4-6(16)7(17)10(19-4)14-3
    -13-5-8(14)11-2-12-9(5)18
    /h2-4,6-7,9-10,15-18H,1H2
    ,(H,11,12)/p+1/t4-,6-,7-,
    9+,10-/m1/s1;
    WGRXVKRHIMUTPD-YOHZANMFSA-O    		 c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O
    3)CO)O)O)N=CN[C@H]2O; OC[C@H]1O[C@H]([C@
    H](O)[C@@H]1O)n2c[nH+]c3[C@H](O)NC=Nc23;
    OC1c2[nH+]cn(c2N=CN1)C3OC(C(O)C3O)CO; c
    1[nH+]c2c(n1C3C(C(C(O3)CO)O)O)N=CNC2O; O
    C[CH]1O[CH]([CH](O)[CH]1O)n2c[nH+]c3[CH]
    (O)NC=Nc23    		 6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOSIDE
    33501
    PRI
    ZINC000005849612    		 4 C5 H9 N O InChI=1S/C5H9NO/c7-4-5-2-
    1-3-6-5/h4-6H,1-3H2/t5-/m
    0/s1;
    JIDDDPVQQUHACU-YFKPBYRVSA-N    		 C1CC(NC1)C=O; O=C[CH]1CCCN1; C1C[C@H](NC
    1)C=O; O=CC1NCCC1; O=C[C@@H]1CCCN1    		 PYRROLIDINE-2-CARBALDEHYDE;
    PROLINOL
    33502
    PRJ    		 0 C9 H15 N O3 InChI=1S/C9H15NO3/c11-6-2
    -1-5-3-8(9(12)13)10-7(5)4
    -6/h5-8,10-11H,1-4H2,(H,1
    2,13)/t5-,6+,7-,8-/m0/s1;
    LKYGWJKCHDDFLW-YWIQKCBGSA-N    		 O[CH]1CC[CH]2C[CH](N[CH]2C1)C(O)=O; C1C[
    C@H](C[C@H]2[C@@H]1C[C@H](N2)C(=O)O)O; O
    [C@@H]1CC[C@H]2C[C@H](N[C@H]2C1)C(O)=O;
    O=C(O)C1NC2CC(O)CCC2C1; C1CC(CC2C1CC(N2)
    C(=O)O)O    		 (2S,3aS,6R,7aS)-6-hydroxyoctahydro-1H-indole-2-carboxylic acid
    33503
    PRK
    ZINC000013545298    		 0 C9 H18 N2 O3 InChI=1S/C9H18N2O3/c1-2-8
    (12)11-6-4-3-5-7(10)9(13)
    14/h7H,2-6,10H2,1H3,(H,11
    ,12)(H,13,14)/t7-/m0/s1;
    PCANIHQHQYUJPY-ZETCQYMHSA-N    		 CCC(=O)NCCCCC(C(=O)O)N; O=C(O)C(N)CCCCNC
    (=O)CC; CCC(=O)NCCCC[C@@H](C(=O)O)N; CCC
    (=O)NCCCC[CH](N)C(O)=O; CCC(=O)NCCCC[C@H
    ](N)C(O)=O    		 N~6~-propanoyl-L-lysine;
    N(6)-Propionyllysine
    33504
    PRL
    CHEMBL55400
    DB01123
    ZINC000003775644    		 14 C13 H11 N3 InChI=1S/C13H11N3/c14-10-
    3-1-8-5-9-2-4-11(15)7-13(
    9)16-12(8)6-10/h1-7H,14-1
    5H2;
    WDVSHHCDHLJJJR-UHFFFAOYSA-N    		 n1c3c(cc2c1cc(N)cc2)ccc(c3)N; Nc1ccc2cc3
    ccc(N)cc3nc2c1; c1cc(cc2c1cc3ccc(cc3n2)N
    )N    		 PROFLAVIN
    33505
    PRM
    CHEMBL332935
    DB02166
    ZINC000000622264    		 3 C27 H34 N4 InChI=1S/C27H33N4/c1-4-31
    (3,5-2)17-9-16-30-26-19-2
    2(29)13-15-24(26)23-14-12
    -21(28)18-25(23)27(30)20-
    10-7-6-8-11-20/h6-8,10-15
    ,18-19,29H,4-5,9,16-17,28
    H2,1-3H3/q+1/p+1;
    ZDWVWKDAWBGPDN-UHFFFAOYSA-O    		 CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c
    1c4ccccc4)N)N; CC[N+](C)(CC)CCC[n+]1c2cc
    (N)ccc2c3ccc(N)cc3c1c4ccccc4; c4c3c1ccc(
    cc1c(c2ccccc2)[n+](c3cc(N)c4)CCC[N+](CC)
    (CC)C)N    		 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM;
    PROPIDIUM
    33506
    PRN
    ZINC000033422238    		 0 C10 H13 N4 O6 P InChI=1S/C10H13N4O6P/c15-
    7-1-9(20-8(7)3-19-21(16,1
    7)18)14-5-13-6-2-11-4-12-
    10(6)14/h2,4-5,7-9,15H,1,
    3H2,(H2,16,17,18)/t7-,8+,
    9+/m0/s1;
    OQIJGDJDESHELC-DJLDLDEBSA-N    		 O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2c
    nc3cncnc23; O=P(O)(O)OCC3OC(n2cnc1cncnc1
    2)CC3O; c1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([
    C@H](O3)COP(=O)(O)O)O; O[CH]1C[CH](O[CH]
    1CO[P](O)(O)=O)n2cnc3cncnc23; c1c2c(ncn1
    )n(cn2)C3CC(C(O3)COP(=O)(O)O)O    		 PURINE 2'-DEOXYRIBO-5'-MONOPHOSPHATE
    33507
    PRO
    CHEMBL54922
    DB00172
    ZINC000000895360    		 382 C5 H9 N O2 InChI=1S/C5H9NO2/c7-5(8)4
    -2-1-3-6-4/h4,6H,1-3H2,(H
    ,7,8)/t4-/m0/s1;
    ONIBWKKTOPOVIA-BYPYZUCNSA-N    		 C1C[C@H](NC1)C(=O)O; OC(=O)[C@@H]1CCCN1;
    OC(=O)[CH]1CCCN1; C1CC(NC1)C(=O)O; O=C(
    O)C1NCCC1    		 PROLINE
    33508
    PRP
    DB01632
    ZINC000008215630    		 208 C5 H13 O14 P3 InChI=1S/C5H13O14P3/c6-3-
    2(1-16-20(8,9)10)17-5(4(3
    )7)18-22(14,15)19-21(11,1
    2)13/h2-7H,1H2,(H,14,15)(
    H2,8,9,10)(H2,11,12,13)/t
    2-,3-,4-,5-/m1/s1;
    PQGCEDQWHSBAJP-TXICZTDVSA-N    		 C(C1C(C(C(O1)OP(=O)(O)OP(=O)(O)O)O)O)OP(
    =O)(O)O; C([C@@H]1[C@H]([C@H]([C@H](O1)O
    [P@@](=O)(O)OP(=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)O[P](O)(O)=O; O=P(OC1OC(C(O)C1O)
    COP(=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)O[P](O)(O)=O    		 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose;
    ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC ACID;
    1-O-pyrophosphono-5-O-phosphono-alpha-D-ribose;
    1-O-pyrophosphono-5-O-phosphono-D-ribose;
    1-O-pyrophosphono-5-O-phosphono-ribose
    33509
    PRQ
    ZINC000000161426    		 0 C9 H10 N2 O4 InChI=1S/C9H10N2O4/c10-7(
    5-9(12)13)6-3-1-2-4-8(6)1
    1(14)15/h1-4,7H,5,10H2,(H
    ,12,13)/t7-/m0/s1;
    XXBOYULKNZTOMN-ZETCQYMHSA-N    		 c1ccc(c(c1)C(CC(=O)O)N)[N+](=O)[O-]; c1c
    cc(c(c1)[C@H](CC(=O)O)N)[N+](=O)[O-]; N[
    C@@H](CC(O)=O)c1ccccc1[N+]([O-])=O; N[CH
    ](CC(O)=O)c1ccccc1[N+]([O-])=O; [O-][N+]
    (=O)c1ccccc1C(N)CC(=O)O    		 (3S)-3-amino-3-(2-nitrophenyl)propanoic acid
    33510
    PRR
    ZINC000006933184    		 0 C9 H13 N2 O2 InChI=1S/C9H12N2O2/c1-11-
    4-2-3-7(6-11)5-8(10)9(12)
    13/h2-4,6,8H,5,10H2,1H3/p
    +1/t8-/m0/s1;
    KGWLTLVMGZDZJW-QMMMGPOBSA-O    		 C[n+]1cccc(C[CH](N)C(O)=O)c1; C[n+]1cccc
    (C[C@H](N)C(O)=O)c1; C[n+]1cccc(c1)C[C@@
    H](C(=O)O)N; C[n+]1cccc(c1)CC(C(=O)O)N;
    O=C(O)C(N)Cc1ccc[n+](c1)C    		 3-(METHYL-PYRIDINIUM)ALANINE
    33511
    PRS
    CHEMBL1235440
    DB02846
    ZINC000000967473    		 3 C4 H7 N O2 S InChI=1S/C4H7NO2S/c6-4(7)
    3-1-8-2-5-3/h3,5H,1-2H2,(
    H,6,7)/t3-/m0/s1;
    DZLNHFMRPBPULJ-VKHMYHEASA-N    		 C1[C@H](NCS1)C(=O)O; OC(=O)[C@@H]1CSCN1;
    OC(=O)[CH]1CSCN1; O=C(O)C1NCSC1; C1C(NC
    S1)C(=O)O    		 THIOPROLINE
    33512
    PRT    		 6 C15 H25 N5 O20 P4 InChI=1S/C15H25N5O20P4/c1
    6-12-7-13(18-4-19(12)14-1
    0(23)8(21)5(37-14)1-35-41
    (25,26)27)20(3-17-7)15-11
    (24)9(22)6(38-15)2-36-43(
    31,32)40-44(33,34)39-42(2
    8,29)30/h3-6,8-11,14-16,2
    1-24H,1-2H2,(H,31,32)(H,3
    3,34)(H2,25,26,27)(H2,28,
    29,30)/b16-12-/t5-,6-,8-,
    9-,10-,11-,14-,15-/m1/s1;
    RKNHJBVBFHDXGR-DNVSJNHSSA-N    		 [H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H](
    [C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
    )O)N=CN1[C@H]4[C@@H]([C@@H]([C@H](O4)COP
    (=O)(O)O)O)O; c1nc2c(n1C3C(C(C(O3)COP(=O
    )(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CN(C2=N)C4
    C(C(C(O4)COP(=O)(O)O)O)O; O[CH]1[CH](O)[
    CH](O[CH]1CO[P](O)(O)=O)N2C=Nc3n(cnc3C2=
    N)[CH]4O[CH](CO[P](O)(=O)O[P](O)(=O)O[P]
    (O)(O)=O)[CH](O)[CH]4O; O[C@H]1[C@@H](O)
    [C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=Nc3n(cn
    c3C2=N)[C@@H]4O[C@H](CO[P](O)(=O)O[P](O)
    (=O)O[P](O)(O)=O)[C@@H](O)[C@H]4O    		 PHOSPHORIBOSYL ATP ;
    [[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanylidene-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
    33513
    PRU
    ZINC000039958480    		 2 C12 H18 O8 InChI=1S/C12H18O8/c1-6(10
    (15)16)4-8(12(19)20)5-7(1
    1(17)18)2-3-9(13)14/h6-8H
    ,2-5H2,1H3,(H,13,14)(H,15
    ,16)(H,17,18)(H,19,20)/t6
    -,7-,8-/m1/s1;
    UEYGDIASMOPQFG-BWZBUEFSSA-N    		 CC(CC(CC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O;
    O=C(O)C(CC(C(=O)O)CCC(=O)O)CC(C(=O)O)C;
    C[CH](C[CH](C[CH](CCC(O)=O)C(O)=O)C(O)=O
    )C(O)=O; C[C@H](C[C@H](C[C@@H](CCC(O)=O)
    C(O)=O)C(O)=O)C(O)=O; C[C@H](C[C@H](C[C@
    @H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O    		 (3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid;
    Polyacrylic acid
    33514
    PRV
    ZINC000026894896    		 0 C8 H8 N2 O4 InChI=1S/C8H8N2O4/c9-7(8(
    11)12)5-3-1-2-4-6(5)10(13
    )14/h1-4,7H,9H2,(H,11,12)
    /t7-/m1/s1;
    CEBXNGWSHWJBHX-SSDOTTSWSA-N    		 N[CH](C(O)=O)c1ccccc1[N+]([O-])=O; N[C@@
    H](C(O)=O)c1ccccc1[N+]([O-])=O; [O-][N+]
    (=O)c1ccccc1C(N)C(=O)O; c1ccc(c(c1)C(C(=
    O)O)N)[N+](=O)[O-]; c1ccc(c(c1)[C@H](C(=
    O)O)N)[N+](=O)[O-]    		 (2R)-amino(2-nitrophenyl)ethanoic acid;
    2-(NITRO)PHENYLGLYCINE
    33515
    PRW    		 0 C4 H9 N O4 InChI=1S/C4H9NO4/c5-1-2(6
    )3(7)4(8)9/h2-3,6-7H,1,5H
    2,(H,8,9)/t2-,3-/m1/s1;
    WITVYMTUWTVRND-PWNYCUMCSA-N    		 O=C(O)C(O)C(O)CN; C([C@H]([C@H](C(=O)O)O
    )O)N; NC[CH](O)[CH](O)C(O)=O; C(C(C(C(=O
    )O)O)O)N; NC[C@@H](O)[C@@H](O)C(O)=O    		 (2R,3R)-4-AMINO-2,3-DIHYDROXYBUTANOIC ACID
    33516
    PRX
    DB03230
    ZINC000015894146    		 31 C13 H20 N5 O7 P InChI=1S/C13H20N5O7P/c1-2
    -3-23-26(21,22)24-4-7-9(1
    9)10(20)13(25-7)18-6-17-8
    -11(14)15-5-16-12(8)18/h5
    -7,9-10,13,19-20H,2-4H2,1
    H3,(H,21,22)(H2,14,15,16)
    /t7-,9-,10-,13-/m1/s1;
    XAMXMSZRQHPMRX-QYVSTXNMSA-N    		 CCCOP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)
    O)O; CCCO[P](O)(=O)OC[C@H]1O[C@H]([C@H](
    O)[C@@H]1O)n2cnc3c(N)ncnc23; OC1C(OC(COP
    (=O)(O)OCCC)C1O)n2cnc3c2ncnc3N; CCCO[P@@
    ](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n
    2cnc3c2ncnc3N)O)O; CCCO[P](O)(=O)OC[CH]1
    O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23    		 ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER;
    ADENOSINE-5'-PROPYLPHOSPHATE
    33517
    PRY
    DB02970
    ZINC000002039219    		 1 C9 H13 N InChI=1S/C9H13N/c1-2-5-8-
    6-3-4-7-9(8)10/h3-4,6-7H,
    2,5,10H2,1H3;
    WKURVXXDGMYSDP-UHFFFAOYSA-N    		 CCCc1ccccc1N; Nc1ccccc1CCC 2-PROPYL-ANILINE
    33518
    PRZ
    CHEMBL97355
    DB04512
    ZINC000000156517    		 8 C9 H14 N2 O InChI=1S/C9H14N2O/c1-7(2)
    6-8-9(12-3)11-5-4-10-8/h4
    -5,7H,6H2,1-3H3;
    UXFSPRAGHGMRSQ-UHFFFAOYSA-N    		 O(c1nccnc1CC(C)C)C; CC(C)Cc1c(nccn1)OC;
    COc1nccnc1CC(C)C    		 2-ISOBUTYL-3-METHOXYPYRAZINE
    33519
    PS0    		 0 C10 H15 N O InChI=1S/C10H15NO/c1-8(12
    )10(11)7-9-5-3-2-4-6-9/h2
    -6,8,10,12H,7,11H2,1H3/t8
    -,10-/m0/s1;
    SMZUMFSKQVVOOV-WPRPVWTQSA-N    		 CC(C(Cc1ccccc1)N)O; C[C@@H]([C@H](Cc1ccc
    cc1)N)O; C[CH](O)[CH](N)Cc1ccccc1; OC(C(
    N)Cc1ccccc1)C; C[C@H](O)[C@@H](N)Cc1cccc
    c1    		 3(S)-AMINO-4-PHENYL-BUTAN-2(S)-OL
    33520
    PS1    		 3 C26 H49 N O10 P InChI=1S/C26H50NO10P/c1-3
    -5-7-9-11-13-15-17-24(28)
    34-19-22(20-35-38(32,33)3
    6-21-23(27)26(30)31)37-25
    (29)18-16-14-12-10-8-6-4-
    2/h22-23H,3-21,27H2,1-2H3
    ,(H,30,31)(H,32,33)/p-1/t
    22-,23+/m1/s1;
    LRIPXDCMGANCAE-PKTZIBPZSA-M    		 CCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OC[
    C@H](N)C(O)=O)OC(=O)CCCCCCCCC; O=C(OCC(O
    C(=O)CCCCCCCCC)COP([O-])(=O)OCC(N)C(=O)O
    )CCCCCCCCC; CCCCCCCCCC(=O)OCC(COP(=O)([O
    -])OCC(C(=O)O)N)OC(=O)CCCCCCCCC; CCCCCCC
    CCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH](N)C(
    O)=O)OC(=O)CCCCCCCCC; CCCCCCCCCC(=O)OC[C
    @H](CO[P@](=O)([O-])OC[C@@H](C(=O)O)N)OC
    (=O)CCCCCCCCC    		 1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE]
    33521
    PS2
    ZINC000150345151    		 1 C40 H76 Br2 N O10 P InChI=1S/C40H76Br2NO10P/c
    1-3-5-7-9-11-12-13-14-15-
    16-17-21-25-29-38(44)50-3
    1-34(32-51-54(48,49)52-33
    -37(43)40(46)47)53-39(45)
    30-26-22-18-20-24-28-36(4
    2)35(41)27-23-19-10-8-6-4
    -2/h34-37H,3-33,43H2,1-2H
    3,(H,46,47)(H,48,49)/t34-
    ,35+,36+,37+/m1/s1;
    HQCXPRBKTHCWQI-HQPLKVBUSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(
    O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC[C@@H](
    [C@H](CCCCCCCC)Br)Br; CCCCCCCCCCCCCCCC(=
    O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCC
    CCC(C(CCCCCCCC)Br)Br; CCCCCCCCCCCCCCCC(=
    O)OC[C@H](CO[P@](O)(=O)OC[C@H](N)C(O)=O)
    OC(=O)CCCCCCC[C@H](Br)[C@@H](Br)CCCCCCCC
    ; O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)C
    CCCCCCCCCCCCCC)CCCCCCCC(Br)C(Br)CCCCCCCC
    ; CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O
    )OC[CH](N)C(O)=O)OC(=O)CCCCCCC[CH](Br)[C
    H](Br)CCCCCCCC    		 O-[{[(2R)-2-{[(9S,10S)-9,10-DIBROMOOCTADECANOYL]OXY}-3-(PALMITOYLOXY)PROPYL]OXY}(HYDROXY)PHOSPHORYL]-L-SERINE;
    DIBROMINATED PHOSPHATIDYLSERINE;
    1-PALMITOYL-2-STEAROYL(9,10-DIBROMO)-SN-GLYCERO-3-[PHOSPHO-L-SERINE](SODIUM SALT)
    33522
    PS4
    CHEMBL564249
    DB08429
    ZINC000039279922    		 2 C23 H28 Cl N3 O4 S InChI=1S/C23H28ClN3O4S/c1
    -32(30,31)21-9-3-6-17(13-
    21)23(29)26-15-20-8-4-10-
    27(20)22(28)14-19(25)12-1
    6-5-2-7-18(24)11-16/h2-3,
    5-7,9,11,13,19-20H,4,8,10
    ,12,14-15,25H2,1H3,(H,26,
    29)/t19-,20+/m1/s1;
    QRGBOABBMKYMLG-UXHICEINSA-N    		 CS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]2CCCN2C
    (=O)C[C@@H](Cc3cccc(c3)Cl)N; C[S](=O)(=O
    )c1cccc(c1)C(=O)NC[CH]2CCCN2C(=O)C[CH](N
    )Cc3cccc(Cl)c3; C[S](=O)(=O)c1cccc(c1)C(
    =O)NC[C@@H]2CCCN2C(=O)C[C@H](N)Cc3cccc(C
    l)c3; CS(=O)(=O)c1cccc(c1)C(=O)NCC2CCCN2
    C(=O)CC(Cc3cccc(c3)Cl)N; O=C(N1CCCC1CNC(
    =O)c2cccc(c2)S(=O)(=O)C)CC(N)Cc3cccc(Cl)
    c3    		 N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide
    33523
    PS5
    DB02956    		 7 S5 InChI=1S/H2S5/c1-3-5-4-2/
    h1-2H/p-2;
    FBNHIFPJXGPDIP-UHFFFAOYSA-L    		 [S-]SSS[S-] PENTASULFIDE-SULFUR
    33524
    PS6
    ZINC000058649698    		 12 C26 H50 N O10 P InChI=1S/C26H50NO10P/c1-3
    -5-7-8-9-10-11-12-13-14-1
    6-17-24(28)34-19-22(37-25
    (29)18-15-6-4-2)20-35-38(
    32,33)36-21-23(27)26(30)3
    1/h22-23H,3-21,27H2,1-2H3
    ,(H,30,31)(H,32,33)/t22-,
    23+/m0/s1;
    HXSPCZGHXODQMW-XZOQPEGZSA-N    		 CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O
    )OC[C@H](C(=O)O)N)OC(=O)CCCCC; CCCCCCCCC
    CCCCC(=O)OC[C@@H](CO[P@](O)(=O)OC[C@@H](
    N)C(O)=O)OC(=O)CCCCC; CCCCCCCCCCCCCC(=O)
    OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCC;
    CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[
    CH](N)C(O)=O)OC(=O)CCCCC; O=C(OC(COP(=O)
    (OCC(C(=O)O)N)O)COC(=O)CCCCCCCCCCCCC)CCC
    CC    		 O-[(S)-{[(2S)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-D-serine
    33525
    PS7
    ZINC000030724760    		 7 C30 H52 O7 P2 InChI=1S/C30H52O7P2/c1-23
    (2)13-9-15-25(5)17-11-18-
    27(7)21-28-29(22-36-39(34
    ,35)37-38(31,32)33)30(28,
    8)20-12-19-26(6)16-10-14-
    24(3)4/h13-14,17,19,21,28
    -29H,9-12,15-16,18,20,22H
    2,1-8H3,(H,34,35)(H2,31,3
    2,33)/b25-17+,26-19+,27-2
    1+/t28-,29-,30-/m1/s1;
    ATZKAUGGNMSCCY-VVFNRDJMSA-N    		 CC(C)=CCCC(C)=CCCC(C)=C[CH]1[CH](CO[P](O
    )(=O)O[P](O)(O)=O)[C]1(C)CCC=C(C)CCC=C(C
    )C; CC(=CCC/C(=C/CC/C(=C/[C@@H]1[C@H]([C
    @]1(C)CC/C=C(\C)/CCC=C(C)C)CO[P@](=O)(O)
    OP(=O)(O)O)/C)/C)C; CC(C)=CCCC(/C)=C/CCC
    (/C)=C/[C@@H]1[C@@H](CO[P](O)(=O)O[P](O)
    (O)=O)[C@]1(C)CC\C=C(/C)CCC=C(C)C; CC(=C
    CCC(=CCCC(=CC1C(C1(C)CCC=C(C)CCC=C(C)C)C
    OP(=O)(O)OP(=O)(O)O)C)C)C    		 {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate
    33526
    PS8
    CHEMBL1951293
    ZINC000082156492    		 1 C21 H24 Cl2 N6 O2 S InChI=1S/C21H24Cl2N6O2S/c
    1-13-20(14(2)28(3)26-13)2
    7-32(30,31)21-17(22)10-16
    (11-18(21)23)15-4-5-19(25
    -12-15)29-8-6-24-7-9-29/h
    4-5,10-12,24,27H,6-9H2,1-
    3H3;
    HOIAFTVGAXSASA-UHFFFAOYSA-N    		 Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c
    3ccc(nc3)N4CCNCC4)Cl; Clc3cc(c1ccc(nc1)N
    2CCNCC2)cc(Cl)c3S(=O)(=O)Nc4c(n(nc4C)C)C
    ; Cn1nc(C)c(N[S](=O)(=O)c2c(Cl)cc(cc2Cl)
    c3ccc(nc3)N4CCNCC4)c1C    		 2,6-DICHLORO-4-(6-PIPERAZIN-1-YLPYRIDIN-3-YL)-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE
    33527
    PS9
    CHEMBL1235452
    DB09353    		 19 S8 InChI=1S/S8/c1-2-4-6-8-7-
    5-3-1;
    JLQNHALFVCURHW-UHFFFAOYSA-N    		 S1SSSSSSS1 octathiocane
    33528
    PSA
    ZINC000002526314    		 0 C11 H15 N O3 InChI=1S/C11H15NO3/c12-9(
    10(13)7-11(14)15)6-8-4-2-
    1-3-5-8/h1-5,9-10,13H,6-7
    ,12H2,(H,14,15)/t9-,10-/m
    0/s1;
    JAJQQUQHMLWDFB-UWVGGRQHSA-N    		 O=C(O)CC(O)C(N)Cc1ccccc1; N[CH](Cc1ccccc
    1)[CH](O)CC(O)=O; N[C@@H](Cc1ccccc1)[C@@
    H](O)CC(O)=O; c1ccc(cc1)C[C@@H]([C@H](CC
    (=O)O)O)N; c1ccc(cc1)CC(C(CC(=O)O)O)N    		 3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID
    33529
    PSB
    CHEMBL297273
    DB03231
    ZINC000013559921    		 1 C25 H21 N7 O3 S InChI=1S/C25H21N7O3S/c26-
    25-28-22-21(24(35)29-25)3
    0-32(31-22)18-9-5-8-15(12
    -18)23(34)27-13-16-6-1-3-
    10-19(16)36-20-11-4-2-7-1
    7(20)14-33/h1-12,33H,13-1
    4H2,(H,27,34)(H3,26,28,29
    ,31,35);
    IXDQOBDHBWEZOH-UHFFFAOYSA-N    		 O=C(NCc2ccccc2Sc1ccccc1CO)c3cc(ccc3)n4nc
    5nc(nc(O)c5n4)N; Nc1nc(O)c2nn(nc2n1)c3cc
    cc(c3)C(=O)NCc4ccccc4Sc5ccccc5CO; c1ccc(
    c(c1)CNC(=O)c2cccc(c2)n3nc4c(n3)nc(nc4O)
    N)Sc5ccccc5CO    		 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-(HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE
    33530
    PSC
    ZINC000098209319    		 14 C42 H81 N O8 P InChI=1S/C42H80NO8P/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/h14,16,
    20-21,40H,6-13,15,17-19,2
    2-39H2,1-5H3/p+1/b16-14+,
    21-20-/t40-/m1/s1;
    JLPULHDHAOZNQI-AUSZDXHESA-O    		 CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O
    CC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC;
    O=C(OCC(OC(=O)CCCCCCC\C=C/C/C=C/CCCCC)C
    OP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCC;
    CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N
    +](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC; CCC
    CCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)O
    CC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CC=CCCCC
    C; CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)
    (=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C/C
    =C/CCCCC    		 (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE;
    PHOSPHATIDYLCHOLINE;
    2-LINOLEOYL-1-PALMITOYL-SN-GYCEROL-3-PHOSPHOCHOLINE
    33531
    PSD    		 0 C15 H22 N7 O7 P InChI=1S/C15H22N7O7P/c16-
    12-9-13(19-5-18-12)22(6-2
    0-9)15-11(24)10(23)8(29-1
    5)4-28-30(26,27)21-14(25)
    7-2-1-3-17-7/h5-8,10-11,1
    5,17,23-24H,1-4H2,(H2,16,
    18,19)(H2,21,25,26,27)/t7
    -,8+,10+,11+,15+/m0/s1;
    BIVNOVXAWQKFMF-JVEUSOJLSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CO[P@@](=O)(NC(=O)[C@@H]4CCCN4)O)
    O)O)N; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](
    O)(=O)NC(=O)[CH]4CCCN4)[CH](O)[CH]3O; c1
    nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(NC(=O
    )C4CCCN4)O)O)O)N; Nc1ncnc2n(cnc12)[C@@H]
    3O[C@H](CO[P@@](O)(=O)NC(=O)[C@@H]4CCCN4
    )[C@@H](O)[C@H]3O; O=C(NP(=O)(O)OCC3OC(n
    2cnc1c(ncnc12)N)C(O)C3O)C4NCCC4    		 5'-O-[N-(PROLYL)-SULFAMOYL]ADENOSINE
    33532
    PSE    		 4 C3 H10 N O5 P InChI=1S/C3H10NO5P/c4-3(1
    -5)2-9-10(6,7)8/h3,5H,1-2
    ,4H2,(H2,6,7,8)/t3-/m1/s1;
    WDWYJNPKBKWDBL-GSVOUGTGSA-N    		 C(C(COP(=O)(O)O)N)O; O=P(O)(O)OCC(N)CO;
    C([C@H](COP(=O)(O)O)N)O; N[CH](CO)CO[P](
    O)(O)=O; N[C@H](CO)CO[P](O)(O)=O    		 O-PHOSPHOETHANOLAMINE
    33533
    PSF    		 15 C18 H34 N O10 P InChI=1S/C18H34NO10P/c1-3
    -5-7-9-16(20)26-11-14(29-
    17(21)10-8-6-4-2)12-27-30
    (24,25)28-13-15(19)18(22)
    23/h14-15H,3-13,19H2,1-2H
    3,(H,22,23)(H,24,25)/t14-
    ,15+/m1/s1;
    MIQYPPGTNIFAPO-CABCVRRESA-N    		 CCCCCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@H](N
    )C(O)=O)OC(=O)CCCCC; CCCCCC(=O)OCC(COP(=
    O)(O)OCC(C(=O)O)N)OC(=O)CCCCC; CCCCCC(=O
    )OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=
    O)CCCCC; CCCCCC(=O)OCC(CO[P@@](=O)(O)OC[
    C@@H](C(=O)O)N)OC(=O)CCCCC; O=C(OC(COP(=
    O)(OCC(C(=O)O)N)O)COC(=O)CCCCC)CCCCC    		 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE;
    PHOSPHATIDYLSERINE
    33534
    PSG
    CHEMBL1235458
    DB08430
    ZINC000013520501    		 2 C12 H15 N O7 S InChI=1S/C12H15NO7S/c14-5
    -8-9(15)10(16)11(17)12(20
    -8)21-7-3-1-6(2-4-7)13(18
    )19/h1-4,8-12,14-17H,5H2/
    t8-,9-,10+,11-,12+/m1/s1;
    IXFOBQXJWRLXMD-ZIQFBCGOSA-N    		 OC[CH]1O[CH](Sc2ccc(cc2)[N+]([O-])=O)[CH
    ](O)[CH](O)[CH]1O; [O-][N+](=O)c2ccc(SC1
    OC(C(O)C(O)C1O)CO)cc2; c1cc(ccc1[N+](=O)
    [O-])SC2C(C(C(C(O2)CO)O)O)O; OC[C@H]1O[C
    @@H](Sc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@
    @H](O)[C@@H]1O; c1cc(ccc1[N+](=O)[O-])SC
    2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O    		 4-nitrophenyl 1-thio-beta-D-glucopyranoside;
    PARA-NITROPHENYL 1-THIO-BETA-D-GLUCOPYRANOSIDE;
    4-nitrophenyl 1-thio-beta-D-glucoside;
    4-nitrophenyl 1-thio-D-glucoside;
    4-nitrophenyl 1-thio-glucoside
    33535
    PSH    		 0 C6 H10 N3 O4 P S InChI=1S/C6H10N3O4PS/c7-5
    (6(10)11)1-4-2-9(3-8-4)14
    (12,13)15/h2-3,5H,1,7H2,(
    H,10,11)(H2,12,13,15)/t5-
    /m0/s1;
    CGXKMFUQMXYWIF-YFKPBYRVSA-N    		 O=C(O)C(N)Cc1ncn(c1)P(=O)(S)O; N[C@@H](C
    c1cn(cn1)[P@@](O)(S)=O)C(O)=O; c1c(ncn1P
    (=O)(O)S)CC(C(=O)O)N; c1c(ncn1[P@@](=O)(
    O)S)C[C@@H](C(=O)O)N; N[CH](Cc1cn(cn1)[P
    ](O)(S)=O)C(O)=O    		 1-thiophosphono-L-histidine
    33536
    PSI
    CHEMBL49004
    DB04191
    ZINC000003935186    		 5 C29 H47 N5 O7 InChI=1S/C29H47N5O7/c1-16
    (2)24(28(39)34-25(17(3)4)
    29(40)41-7)33-23(36)14-13
    -22(35)21(15-20-11-9-8-10
    -12-20)32-27(38)19(6)31-2
    6(37)18(5)30/h8-12,16-19,
    21-22,24-25,35H,13-15,30H
    2,1-7H3,(H,31,37)(H,32,38
    )(H,33,36)(H,34,39)/t18-,
    19-,21-,22-,24-,25-/m0/s1;
    IUDCAKKZLXFOQA-QJAPXLAMSA-N    		 COC(=O)[CH](NC(=O)[CH](NC(=O)CC[CH](O)[C
    H](Cc1ccccc1)NC(=O)[CH](C)NC(=O)[CH](C)N
    )C(C)C)C(C)C; C[C@@H](C(=O)N[C@@H](C)C(=
    O)N[C@@H](Cc1ccccc1)[C@H](CCC(=O)N[C@@H]
    (C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)N; C
    OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H](
    O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C
    @H](C)N)C(C)C)C(C)C; O=C(OC)C(NC(=O)C(NC
    (=O)CCC(O)C(NC(=O)C(NC(=O)C(N)C)C)Cc1ccc
    cc1)C(C)C)C(C)C; CC(C)C(C(=O)NC(C(C)C)C(
    =O)OC)NC(=O)CCC(C(Cc1ccccc1)NC(=O)C(C)NC
    (=O)C(C)N)O    		 methyl N-{(4S,5S)-5-[(L-alanyl-L-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate;
    SKF 107457
    33537
    PSJ
    CHEMBL1235460
    DB15087
    ZINC000005132035    		 56 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3(9
    )5(11)6(12)4(10)2-8/h3,5-
    9,11-12H,1-2H2/t3-,5-,6+/
    m1/s1;
    BJHIKXHVCXFQLS-PUFIMZNGSA-N    		 C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O; OC[
    C@@H](O)[C@@H](O)[C@@H](O)C(=O)CO; O=C(C
    (O)C(O)C(O)CO)CO; C(C(C(C(C(=O)CO)O)O)O)
    O; OC[CH](O)[CH](O)[CH](O)C(=O)CO    		 D-psicose
    33538
    PSK
    DB08431
    ZINC000053683157    		 2 C7 H15 O4 P InChI=1S/C7H15O4P/c1-3-6(
    8)5(2)7(9)4-12(10)11/h5-6
    ,8,12H,3-4H2,1-2H3,(H,10,
    11)/t5-,6+/m1/s1;
    UXHVQAJQXZWLAW-RITPCOANSA-N    		 CC[C@@H]([C@@H](C)C(=O)C[P@@H](=O)O)O; O
    =C(C(C(O)CC)C)CP(=O)O; CCC(C(C)C(=O)CP(=
    O)O)O; CC[CH](O)[CH](C)C(=O)C[PH](O)=O;
    CC[C@H](O)[C@@H](C)C(=O)C[P@H](O)=O    		 [(3R,4S)-4-HYDROXY-3-METHYL-2-OXOHEXYL]PHOSPHONIC ACID
    33539
    PSL    		 4 O7 S2 InChI=1S/H2O7S2/c1-8(2,3)
    7-9(4,5)6/h(H,1,2,3)(H,4,
    5,6)/p-2;
    VFNGKCDDZUSWLR-UHFFFAOYSA-L    		 [O-]S(=O)(=O)OS(=O)(=O)[O-]; [O-][S](=O)
    (=O)O[S]([O-])(=O)=O; [O-]S(=O)(=O)OS([O
    -])(=O)=O    		 PYROSULFATE
    33540
    PSM
    DB04767
    ZINC000012504502    		 1 C20 H33 N5 O5 S2 InChI=1S/C20H33N5O5S2/c1-
    4-11-32(29,30)25-17(13(2)
    26)20(28)24-16(9-10-31-3)
    19(27)23-12-14-5-7-15(8-6
    -14)18(21)22/h5-8,13,16-1
    7,25-26H,4,9-12H2,1-3H3,(
    H3,21,22)(H,23,27)(H,24,2
    8)/t13-,16-,17+/m0/s1;
    AIIJKVORRBMJHS-RRQGHBQHSA-N    		 CCC[S](=O)(=O)N[CH]([CH](C)O)C(=O)N[CH](
    CCSC)C(=O)NCc1ccc(cc1)C(N)=N; CCC[S](=O)
    (=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CCSC)C
    (=O)NCc1ccc(cc1)C(N)=N; CCCS(=O)(=O)NC(C
    (C)O)C(=O)NC(CCSC)C(=O)NCc1ccc(cc1)C(=N)
    N; O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C
    (=[N@H])N)CCSC)C(O)C)CCC; CCCS(=O)(=O)N[
    C@H]([C@H](C)O)C(=O)N[C@@H](CCSC)C(=O)NC
    c1ccc(cc1)C(=N)N    		 N-[DIHYDROXY(PROPYL)-LAMBDA~4~-SULFANYL]THREONYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}METHIONINAMIDE;
    N-[1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-3-METHYLSULFANYL-PROPYL]-3-HYDROXY-2-PROPOXYAMINO-BUTYRAMID
    33541
    PSN
    CHEMBL148630
    DB03078
    ZINC000012503012    		 1 C14 H13 O5 P InChI=1S/C14H13O5P/c15-10
    -13-8-4-5-9-14(13)19-20(1
    6,17)18-11-12-6-2-1-3-7-1
    2/h1-10H,11H2,(H,16,17);
    PWDTUFYQEUEVQD-UHFFFAOYSA-N    		 c1ccc(cc1)COP(=O)(O)Oc2ccccc2C=O; O[P](=
    O)(OCc1ccccc1)Oc2ccccc2C=O; c1ccc(cc1)CO
    [P@@](=O)(O)Oc2ccccc2C=O; O=P(OCc1ccccc1
    )(Oc2ccccc2C=O)O; O[P@](=O)(OCc1ccccc1)O
    c2ccccc2C=O    		 BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE;
    PASBN
    33542
    PSO
    ZINC000000057349    		 0 C15 H14 O4 InChI=1S/C15H14O4/c1-7-4-
    13(17)19-14-8(2)15-11(5-1
    0(7)14)12(6-16)9(3)18-15/
    h4-5,16H,6H2,1-3H3;
    RGJSDHXSAKMPNM-UHFFFAOYSA-N    		 O=C3Oc2c(c1oc(c(c1cc2C(=C3)C)CO)C)C; Cc1
    c2c(cc3c1OC(=O)C=C3C)c(c(o2)C)CO; Cc1oc2
    c(C)c3OC(=O)C=C(C)c3cc2c1CO    		 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN
    33543
    PSP
    CHEMBL32778
    ZINC000016970567    		 0 C15 H18 N4 O2 InChI=1S/C15H16N4O2/c20-1
    6-12-14-2-8-18(9-3-14)6-1
    -7-19-10-4-15(5-11-19)13-
    17-21/h2-5,8-13H,1,6-7H2/
    p+2;
    LJYGXPCCGGSATE-UHFFFAOYSA-P    		 O\N=C\c1cc[n+](cc1)CCC[n+]2ccc(\C=N\O)cc
    2; c1c[n+](ccc1C=NO)CCC[n+]2ccc(cc2)C=NO
    ; c1c[n+](ccc1\C=N\O)CCC[n+]2ccc(cc2)C=N
    O; ON=Cc1cc[n+](CCC[n+]2ccc(cc2)C=NO)cc1
    ; O\N=C\c1cc[n+](CCC[n+]2ccc(cc2)\C=N\O)
    cc1    		 1,3-PROPYLENE-BIS-N,N'-SYN-4-PYRIDINIUMALDOXIME
    33544
    PSQ
    DB02965    		 3 C5 H15 N4 O6 P S InChI=1S/C5H15N4O6PS/c6-4
    (5(10)11)2-1-3-8-16(7,12)
    9-17(13,14)15/h4H,1-3,6H2
    ,(H,10,11)(H,13,14,15)(H4
    ,7,8,9,12)/t4-,16+/m0/s1;
    MDGVOXPIIICZEK-FOIQGAMDSA-N    		 C(CC(C(=O)O)N)CNP(=O)(N)NS(=O)(=O)O; C(C
    [C@@H](C(=O)O)N)CN[P@](=O)(N)NS(=O)(=O)O
    ; N[C@@H](CCCN[P@@](N)(=O)N[S](O)(=O)=O)
    C(O)=O; N[CH](CCCN[P](N)(=O)N[S](O)(=O)=
    O)C(O)=O; O=P(NCCCC(C(=O)O)N)(NS(=O)(=O)
    O)N    		 NDELTA-(N'-SULPHODIAMINOPHOSPHINYL)-L-ORNITHINE
    33545
    PSR
    ZINC000031976806    		 4 C15 H29 N2 O8 P S InChI=1S/C15H29N2O8PS/c1-
    4-5-12(19)27-9-8-16-11(18
    )6-7-17-14(21)13(20)15(2,
    3)10-25-26(22,23)24/h13,2
    0H,4-10H2,1-3H3,(H,16,18)
    (H,17,21)(H2,22,23,24)/t1
    3-/m1/s1;
    PZIQDUSGQUZEBS-CYBMUJFWSA-N    		 CCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O
    )(O)O)O; CCCC(=O)SCCNC(=O)CCNC(=O)[CH](O
    )C(C)(C)CO[P](O)(O)=O; CCCC(=O)SCCNC(=O)
    CCNC(=O)[C@@H](O)C(C)(C)CO[P](O)(O)=O; O
    =C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O
    )O)CCC; CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C
    (C)(C)COP(=O)(O)O)O    		 THIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER
    33546
    PSS    		 0 C17 H24 N2 O3 InChI=1S/C17H24N2O3/c1-2-
    3-9-15(17(21)22)19-11-10-
    18-14(16(19)20)12-13-7-5-
    4-6-8-13/h4-8,14-15,18H,2
    -3,9-12H2,1H3,(H,21,22)/t
    14-,15+/m1/s1;
    XGTNRXVUBSVMCM-CABCVRRESA-N    		 CCCCC(C(=O)O)N1CCNC(C1=O)Cc2ccccc2; CCCC
    [C@H](N1CCN[C@H](Cc2ccccc2)C1=O)C(O)=O;
    O=C(O)C(N1C(=O)C(NCC1)Cc2ccccc2)CCCC; CC
    CC[CH](N1CCN[CH](Cc2ccccc2)C1=O)C(O)=O;
    CCCC[C@@H](C(=O)O)N1CCN[C@@H](C1=O)Cc2cc
    ccc2    		 (2S)-2-[(3R)-3-benzyl-2-oxopiperazin-1-yl]hexanoic acid
    33547
    PST
    DB08432    		 4 C10 H15 N2 O7 P S InChI=1S/C10H15N2O7PS/c1-
    5-3-12(10(15)11-9(5)14)8-
    2-6(13)7(19-8)4-18-20(16,
    17)21/h3,6-8,13H,2,4H2,1H
    3,(H,11,14,15)(H2,16,17,2
    1)/t6-,7+,8+/m0/s1;
    OJRKJKYGUAALCJ-XLPZGREQSA-N    		 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2
    )COP(=S)(O)O)O; CC1=CN(C(=O)NC1=O)C2CC(C
    (O2)COP(=S)(O)O)O; CC1=CN([CH]2C[CH](O)[
    CH](CO[P](O)(O)=S)O2)C(=O)NC1=O; O=C1NC(
    =O)N(C=C1C)C2OC(C(O)C2)COP(=S)(O)O; CC1=
    CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=S)O
    2)C(=O)NC1=O    		 THYMIDINE-5'-THIOPHOSPHATE
    33548
    PSU
    DB03829
    ZINC000004095566    		 5 C9 H13 N2 O9 P InChI=1S/C9H13N2O9P/c12-5
    -4(2-19-21(16,17)18)20-7(
    6(5)13)3-1-10-9(15)11-8(3
    )14/h1,4-7,12-13H,2H2,(H2
    ,16,17,18)(H2,10,11,14,15
    )/t4-,5-,6-,7+/m1/s1;
    MOBMOJGXNHLLIR-GBNDHIKLSA-N    		 O=P(OCC2OC(C1=CNC(=O)NC1=O)C(O)C2O)(O)O;
    O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)C
    2=CNC(=O)NC2=O; C1=C(C(=O)NC(=O)N1)[C@H]
    2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O;
    O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)
    (O)=O)C2=CNC(=O)NC2=O; C1=C(C(=O)NC(=O)N
    1)C2C(C(C(O2)COP(=O)(O)O)O)O    		 PSEUDOURIDINE-5'-MONOPHOSPHATE
    33549
    PSV    		 8 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3-4
    (9)5(10)6(11,2-8)12-3/h3-
    5,7-11H,1-2H2/t3-,4-,5-,6
    +/m1/s1;
    RFSUNEUAIZKAJO-KAZBKCHUSA-N    		 C([C@@H]1[C@H]([C@H]([C@@](O1)(CO)O)O)O)
    O; OC1C(O)C(OC1(O)CO)CO; OC[CH]1O[C](O)(
    CO)[CH](O)[CH]1O; C(C1C(C(C(O1)(CO)O)O)O
    )O; OC[C@H]1O[C@@](O)(CO)[C@H](O)[C@@H]1
    O    		 alpha-D-psicofuranose;
    alpha-D-psicose;
    D-psicose;
    psicose
    33550
    PSW    		 0 C3 H7 N O2 S Se InChI=1S/C3H7NO2SSe/c4-2(
    1-8-7)3(5)6/h2,7H,1,4H2,(
    H,5,6)/t2-/m0/s1;
    SPXWFQKISDCWEH-REOHCLBHSA-N    		 N[C@@H](C[Se]S)C(O)=O; C([C@@H](C(=O)O)N
    )[Se]S; O=C(O)C(N)C[Se]S; N[CH](C[Se]S)C
    (O)=O; C(C(C(=O)O)N)[Se]S    		 3-(SULFANYLSELANYL)-L-ALANINE
    33551
    PSX
    ZINC000038792230    		 2 C7 H17 O5 P InChI=1S/C7H17O5P/c1-3-6(
    8)5(2)7(9)4-13(10,11)12/h
    5-9H,3-4H2,1-2H3,(H2,10,1
    1,12)/t5-,6+,7-/m1/s1;
    SBJOFBHUNGKURT-DSYKOEDSSA-N    		 CC[C@@H]([C@@H](C)[C@@H](CP(=O)(O)O)O)O;
    CC[C@H](O)[C@@H](C)[C@H](O)C[P](O)(O)=O
    ; CCC(C(C)C(CP(=O)(O)O)O)O; CC[CH](O)[CH
    ](C)[CH](O)C[P](O)(O)=O; O=P(O)(O)CC(O)C
    (C(O)CC)C    		 [(2S,3R,4S)-2,4-DIHYDROXY-3-METHYLHEXYL]PHOSPHONIC ACID
    33552
    PSY
    DB08433
    ZINC000002167094    		 2 C8 H8 O3 S InChI=1S/C8H8O3S/c1-2-12(
    9,10)11-8-6-4-3-5-7-8/h2-
    7H,1H2;
    CILDJVVXNMDAGY-UHFFFAOYSA-N    		 C=C[S](=O)(=O)Oc1ccccc1; C=CS(=O)(=O)Oc1
    ccccc1; O=S(=O)(Oc1ccccc1)\C=C    		 phenyl ethenesulfonate
    33553
    PSZ
    ZINC000034553600    		 15 C13 H15 N2 O7 P S InChI=1S/C13H15N2O7PS/c1-
    7-12(16)10(8(3-14-7)5-22-
    23(19,20)21)4-15-9-2-11(1
    3(17)18)24-6-9/h2-3,6,15-
    16H,4-5H2,1H3,(H,17,18)(H
    2,19,20,21);
    SUKBSASAEROGCJ-UHFFFAOYSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(sc2)C(=O
    )O)O; Cc1ncc(CO[P](O)(O)=O)c(CNc2csc(c2)
    C(O)=O)c1O; O=P(O)(O)OCc1c(c(O)c(nc1)C)C
    Nc2cc(sc2)C(=O)O    		 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID
    33554
    PT    		 22 Pt InChI=1S/Pt/q+2;
    HRGDZIGMBDGFTC-UHFFFAOYSA-N    		 [Pt++]; [Pt+2] PLATINUM (II) ION
    33555
    PT0
    ZINC000098209321    		 0 C9 H20 N O4 P InChI=1S/C9H20NO4P/c1-4-1
    4-9(11)6-15(12,13)8(10)5-
    7(2)3/h7-8H,4-6,10H2,1-3H
    3,(H,12,13)/t8-/m1/s1;
    SJWYOBZTQADRCY-MRVPVSSYSA-N    		 CCOC(=O)CP(=O)(C(CC(C)C)N)O; O=P(O)(C(N)
    CC(C)C)CC(=O)OCC; CCOC(=O)C[P](O)(=O)[CH
    ](N)CC(C)C; CCOC(=O)C[P](O)(=O)[C@@H](N)
    CC(C)C; CCOC(=O)C[P@](=O)([C@H](CC(C)C)N
    )O    		 (R)-[(1R)-1-amino-3-methylbutyl](2-ethoxy-2-oxoethyl)phosphinic acid
    33556
    PT1
    CHEMBL341824
    DB04196
    ZINC000006628789    		 21 C14 H12 N6 O3 InChI=1S/C14H12N6O3/c15-1
    4-19-11-10(12(21)20-14)18
    -9(6-17-11)5-16-8-3-1-7(2
    -4-8)13(22)23/h1-4,6,16H,
    5H2,(H,22,23)(H3,15,17,19
    ,20,21);
    JOAQINSXLLMRCV-UHFFFAOYSA-N    		 Nc1nc(O)c2nc(CNc3ccc(cc3)C(O)=O)cnc2n1;
    c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O
    ; O=C(O)c1ccc(cc1)NCc2nc3c(nc2)nc(nc3O)N    		 PTEROIC ACID
    33557
    PT2    		 0 C14 H14 N4 Pt InChI=1S/C12H8N2.C2H6N2.P
    t/c1-3-9-5-6-10-4-2-8-14-
    12(10)11(9)13-7-1;3-1-2-4
    ;/h1-8H;3-4H,1-2H2;/q;-2;
    +4;
    ZHOUVMJPJJXSDV-UHFFFAOYSA-N    		 c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Pt]45NCCN5
    ; c2cc[n+]4c3c1[n+](cccc1ccc23)[Pt]45NCC
    N5; C1CN[Pt]2(N1)[n+]3cccc4ccc5ccc[n+]2c
    5c34    		 [ethane-1,2-diaminato(2-)-kappa~2~N,N'](1,10-phenanthroline-kappa~2~N~1~,N~10~)platinum(2+)
    33558
    PT3
    DB03390
    ZINC000002043169    		 5 C7 H13 N O5 InChI=1S/C7H13NO5/c1-2-3-
    8-6(11)4(9)5(10)7(12)13/h
    4-5,9-10H,2-3H2,1H3,(H,8,
    11)(H,12,13)/t4-,5-/m1/s1;
    LNEZKQHJUNIZIS-RFZPGFLSSA-N    		 CCCNC(=O)[C@@H]([C@H](C(=O)O)O)O; CCCNC(
    =O)C(C(C(=O)O)O)O; CCCNC(=O)[CH](O)[CH](
    O)C(O)=O; CCCNC(=O)[C@H](O)[C@@H](O)C(O)
    =O; O=C(NCCC)C(O)C(O)C(=O)O    		 N-PROPYL-TARTRAMIC ACID
    33559
    PT4    		 0 Pt InChI=1S/Pt/q+4;
    NDBYXKQCPYUOMI-UHFFFAOYSA-N    		 [Pt+4] PLATINUM (IV) ION
    33560
    PT5    		 106 C47 H85 O19 P3 InChI=1S/C47H85O19P3/c1-3
    -5-7-9-11-13-15-17-19-20-
    22-24-26-28-30-32-34-36-4
    1(49)63-39(37-61-40(48)35
    -33-31-29-27-25-23-21-18-
    16-14-12-10-8-6-4-2)38-62
    -69(59,60)66-45-42(50)43(
    51)46(64-67(53,54)55)47(4
    4(45)52)65-68(56,57)58/h1
    1,13,17,19,22,24,28,30,39
    ,42-47,50-52H,3-10,12,14-
    16,18,20-21,23,25-27,29,3
    1-38H2,1-2H3,(H,59,60)(H2
    ,53,54,55)(H2,56,57,58)/b
    13-11?,19-17?,24-22-,30-2
    8?/t39-,42-,43+,44+,45-,4
    6-,47-/m1/s1;
    CNWINRVXAYPOMW-HJBQCNPJSA-N    		 CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O
    )O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[
    CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCC=CCC=C
    CC=CCC=CCCCCC; CCCCCCCCCCCCCCCCCC(=O)OCC
    (COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(
    =O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCC
    C; CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O
    )(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[P]
    (O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O)OC(=
    O)CCC\C=C/C\C=C/C/C=C/CC=CCCCCC; CCCCCCC
    CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]
    1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=
    O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CC/C=C\
    CC=CCC=CCCCCC    		 [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate;
    Phosphatidylinositol 4,5-bisphosphate;
    PtdIns(4,5)P2
    33561
    PT6
    CHEMBL488937
    DB12347
    ZINC000016696900    		 14 C19 H20 N2 O2 S InChI=1S/C19H20N2O2S/c1-1
    4-15(4-2-6-18(14)20)13-21
    -9-7-16(12-19(21)22)23-10
    -8-17-5-3-11-24-17/h2-7,9
    ,11-12H,8,10,13,20H2,1H3;
    YCLREGRRHGLOAK-UHFFFAOYSA-N    		 Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3; O
    =C2C=C(OCCc1sccc1)C=CN2Cc3cccc(N)c3C; Cc
    1c(N)cccc1CN2C=CC(=CC2=O)OCCc3sccc3    		 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one
    33562
    PT7    		 6 C29 H23 Cl N P Pt InChI=1S/C18H15P.C11H8N.C
    lH.Pt/c1-4-10-16(11-5-1)1
    9(17-12-6-2-7-13-17)18-14
    -8-3-9-15-18;1-2-6-10(7-3
    -1)11-8-4-5-9-12-11;;/h1-
    15H;1-6,8-9H;1H;/q;;;+2;
    KHJLZDWNJSEPIZ-UHFFFAOYSA-N    		 c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pt+2]4
    (c5ccccc5C6=CC=CC=[N]64)Cl; Cl[Pt++]c1cc
    ccc1c2ccccn2.c3ccc(cc3)P(c4ccccc4)c5cccc
    c5; [Pt+2]2(n1ccccc1c3ccccc23)(Cl)P(c4cc
    ccc4)(c5ccccc5)c6ccccc6    		 chloro[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~](triphenyl-lambda~5~-phosphanyl)platinum(2+);
    PtII(2-phenylpyridine)(tri-phenylphosphine)Cl
    33563
    PT9    		 0 C20 H16 N6 Pt InChI=1S/C20H16N6.Pt/c1-3
    -13-21-17(9-1)25-19-11-5-
    7-15(23-19)16-8-6-12-20(2
    4-16)26-18-10-2-4-14-22-1
    8;/h1-14H,(H,21,23,25)(H,
    22,24,26);;
    ZLWQJMSFYZEZJF-UHFFFAOYSA-N    		 C1=CC2=[N](C=C1)[Pt]34[N]5=C(C=CC=C5)NC6
    =CC=CC(=[N]63)C7=[N]4C(=CC=C7)N2; [Pt].N
    (c1ccccn1)c2cccc(n2)c3cccc(Nc4ccccn4)n3    		 [Pt(H2bapbpy)] platinum
    33564
    PTA
    ZINC000006358149    		 0 C7 H16 N O4 P InChI=1S/C7H16NO4P/c1-5(2
    )3-6(8)13(11,12)4-7(9)10/
    h5-6H,3-4,8H2,1-2H3,(H,9,
    10)(H,11,12)/t6-/m1/s1;
    QLKPCHBADCFRHB-ZCFIWIBFSA-N    		 CC(C)C[C@H](N)[P@@](=O)(CC(=O)O)O; CC(C)
    CC(N)P(=O)(CC(=O)O)O; CC(C)C[CH](N)[P](O
    )(=O)CC(O)=O; CC(C)C[C@H](N)[P](O)(=O)CC
    (O)=O; O=C(O)CP(=O)(O)C(N)CC(C)C    		 [(1-AMINO-3-METHYL-BUTYL)-HYDROXY-PHOSPHINOYL]-ACETIC ACID
    33565
    PTB
    CHEMBL403772
    DB03833
    ZINC000005950679    		 1 C11 H17 N3 O2 InChI=1S/C11H17N3O2/c1-11
    (2,3)10-14-13-9(16-10)8(1
    5)7-5-4-6-12-7/h7,12H,4-6
    H2,1-3H3/t7-/m0/s1;
    YUKGJYBQODPVBL-ZETCQYMHSA-N    		 CC(C)(C)c1oc(nn1)C(=O)[CH]2CCCN2; CC(C)(
    C)c1oc(nn1)C(=O)[C@@H]2CCCN2; CC(C)(C)c1
    nnc(o1)C(=O)[C@@H]2CCCN2; CC(C)(C)c1nnc(
    o1)C(=O)C2CCCN2; O=C(c1nnc(o1)C(C)(C)C)C
    2NCCC2    		 (5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)[(2R)-PYRROLIDIN-2-YL]METHANONE;
    2-PROLYL-5-TERT-BUTYL-[1,3,4]OXADIAZOLE
    33566
    PTC    		 0 C12 H14 N O7 P InChI=1S/C12H14NO7P/c1-13
    -11(14)9-8(10(9)12(15)16)
    6-2-4-7(5-3-6)20-21(17,18
    )19/h2-5,8-10H,1H3,(H,13,
    14)(H,15,16)(H2,17,18,19)
    /t8-,9+,10+/m0/s1;
    GIIUHKRUTUSHAB-IVZWLZJFSA-N    		 CNC(=O)C1C(C1C(=O)O)c2ccc(cc2)OP(=O)(O)O
    ; CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)O)c2cc
    c(cc2)OP(=O)(O)O; CNC(=O)[CH]1[CH]([CH]1
    c2ccc(O[P](O)(O)=O)cc2)C(O)=O; O=C(NC)C2
    C(c1ccc(OP(=O)(O)O)cc1)C2C(=O)O; CNC(=O)
    [C@H]1[C@@H]([C@H]1c2ccc(O[P](O)(O)=O)cc
    2)C(O)=O    		 2-METHYLCARBAMOYL-3-(4-PHOSPHONOOXY-PHENYL)-CYCLOPROPANECARBOXYLIC ACID
    33567
    PTD
    CHEMBL1235482
    DB03266
    ZINC000001729593    		 41 C5 H8 O2 InChI=1S/C5H8O2/c6-4-2-1-
    3-5-7/h4-5H,1-3H2;
    SXRSQZLOMIGNAQ-UHFFFAOYSA-N    		 C(CC=O)CC=O; O=CCCCC=O PENTANEDIAL
    33568
    PTE    		 10 C20 H22 Mg N10 O14 P2 S4 W InChI=1S/2C10H14N5O6PS2.M
    g.2H2O.W/c2*11-10-14-7-4(
    8(16)15-10)12-3-6(24)5(23
    )2(21-9(3)13-7)1-20-22(17
    ,18)19;;;;/h2*2-3,9,12,23
    -24H,1H2,(H2,17,18,19)(H4
    ,11,13,14,15,16);;2*1H2;/
    q;;+4;;;+4/p-8/t2*2-,3+,9
    -;;;;/m11..../s1;
    DYJJSYQWWQOQKE-MAAILCHMSA-F    		 O.O.NC1=NC2=C(N[CH]3[CH](N2)O[CH]4CO[P](
    O)(=O)O[Mg]O[P](O)(=O)OC[CH]5O[CH]6NC7=C
    (N[CH]6C8=C5S[W]9(SC4=C3S9)S8)C(=O)NC(=N
    7)N)C(=O)N1; C1C2C3=C(C4C(O2)NC5=C(N4)C(
    =O)NC(=N5)N)S[W]6(S3)SC7=C(S6)C8C(NC9=C(
    N8)C(=O)NC(=N9)N)OC7COP(=O)(O[Mg](OP(=O)
    (O1)O)([O])[O])O; O.O.NC1=NC2=C(N[C@@H]3
    [C@H](N2)O[C@@H]4CO[P](O)(=O)O[Mg]O[P](O
    )(=O)OC[C@H]5O[C@H]6NC7=C(N[C@H]6C8=C5S[
    W]9(SC4=C3S9)S8)C(=O)NC(=N7)N)C(=O)N1; C
    1[C@@H]2C3=C([C@H]4[C@@H](O2)NC5=C(N4)C(
    =O)NC(=N5)N)S[W]6(S3)SC7=C(S6)[C@H]8[C@H
    ](NC9=C(N8)C(=O)NC(=N9)N)O[C@@H]7COP(=O)
    (O[Mg](OP(=O)(O1)O)([O])[O])O    		 TUNGSTOPTERIN COFACTOR
    33569
    PTF    		 0 C8 H10 S InChI=1S/C8H10S/c1-9-7-8-
    5-3-2-4-6-8/h2-6H,7H2,1H3;
    OFQPKKGMNWASPN-UHFFFAOYSA-N    		 CSCc1ccccc1; sulfide [(METHYLSULFANYL)METHYL]BENZENE
    33570
    PTG
    CHEMBL1210221
    DB08435
    ZINC000038139032    		 7 C20 H28 O3 InChI=1S/C20H28O3/c1-2-3-
    4-5-6-10-13-18-17(15-16-1
    9(18)21)12-9-7-8-11-14-20
    (22)23/h6-7,9-10,13,15-17
    H,2-5,8,11-12,14H2,1H3,(H
    ,22,23)/b9-7+,10-6+,18-13
    -/t17-/m0/s1;
    VHRUMKCAEVRUBK-XOVNXQNQSA-N    		 CCCCC\C=C\C=C1[C@H](C=CC1=O)C\C=C\CCCC(=
    O)O; CCCCC\C=C\C=C/1[C@@H](C\C=C\CCCC(O)
    =O)C=CC/1=O; O=C\1C=CC(C/1=C\C=C\CCCCC)C
    /C=C/CCCC(=O)O; CCCCCC=CC=C1[CH](CC=CCCC
    C(O)=O)C=CC1=O; CCCCCC=CC=C1C(C=CC1=O)CC
    =CCCCC(=O)O    		 (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid;
    15-deoxy-delta(12,14)-prostaglandin J2
    33571
    PTH
    ZINC000033423088    		 0 C10 H14 N O7 P InChI=1S/C10H14NO7P/c11-8
    (10(13)14)4-6-1-2-9(7(3-6
    )5-12)18-19(15,16)17/h1-3
    ,8,12H,4-5,11H2,(H,13,14)
    (H2,15,16,17)/t8-/m0/s1;
    QPZIXFGNLVEBKM-QMMMGPOBSA-N    		 N[CH](Cc1ccc(O[P](O)(O)=O)c(CO)c1)C(O)=O
    ; c1cc(c(cc1CC(C(=O)O)N)CO)OP(=O)(O)O; c
    1cc(c(cc1C[C@@H](C(=O)O)N)CO)OP(=O)(O)O;
    N[C@@H](Cc1ccc(O[P](O)(O)=O)c(CO)c1)C(O
    )=O; O=P(Oc1ccc(cc1CO)CC(C(=O)O)N)(O)O    		 CE1-METHYLENE-HYDROXY-PHOSPHOTYROSINE
    33572
    PTI
    DB04471
    ZINC000005934385    		 1 C28 H32 N2 O2 InChI=1S/C28H32N2O2/c31-2
    5-11-14-27-23(21-25)15-18
    -30(24-7-3-1-4-8-24)28(27
    )22-9-12-26(13-10-22)32-2
    0-19-29-16-5-2-6-17-29/h1
    ,3-4,7-14,21,28,31H,2,5-6
    ,15-20H2/t28-/m1/s1;
    FMWVCTJKLAVRPB-MUUNZHRXSA-N    		 Oc1ccc2[CH](N(CCc2c1)c3ccccc3)c4ccc(OCCN
    5CCCCC5)cc4; c1ccc(cc1)N2CCc3cc(ccc3[C@H
    ]2c4ccc(cc4)OCCN5CCCCC5)O; O(c1ccc(cc1)C
    4c2ccc(O)cc2CCN4c3ccccc3)CCN5CCCCC5; c1c
    cc(cc1)N2CCc3cc(ccc3C2c4ccc(cc4)OCCN5CCC
    CC5)O; Oc1ccc2[C@H](N(CCc2c1)c3ccccc3)c4
    ccc(OCCN5CCCCC5)cc4    		 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL
    33573
    PTJ
    ZINC000098209322    		 4 C16 H25 N5 O13 P2 InChI=1S/C16H25N5O13P2/c1
    -16(2,4-32-35(26,27)28)11
    (24)15(25)34-36(29,30)31-
    3-7-9(22)10(23)14(33-7)21
    -6-20-8-12(17)18-5-19-13(
    8)21/h5-7,9-11,14,22-24H,
    3-4H2,1-2H3,(H,29,30)(H2,
    17,18,19)(H2,26,27,28)/t7
    -,9-,10-,11+,14-/m1/s1;
    OMCOLJSEXCHENT-FSRKKXLISA-N    		 CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)O[P](O)(
    =O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)
    ncnc23; CC(C)(CO[P](O)(O)=O)[C@@H](O)C(=
    O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@
    H]1O)n2cnc3c(N)ncnc23; O=P(O)(O)OCC(C)(C
    )C(O)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12
    )N)C(O)C3O; CC(C)(COP(=O)(O)O)C(C(=O)OP(
    =O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O;
    CC(C)(COP(=O)(O)O)[C@H](C(=O)OP(=O)(O)O
    C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc
    nc3N)O)O)O    		 5'-O-[(S)-hydroxy{[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]oxy}phosphoryl]adenosine
    33574
    PTK
    ZINC000004262432    		 1 C16 H10 O12 S4 InChI=1S/C16H10O12S4/c17-
    29(18,19)11-5-13(31(23,24
    )25)9-3-4-10-14(32(26,27)
    28)6-12(30(20,21)22)8-2-1
    -7(11)15(9)16(8)10/h1-6H,
    (H,17,18,19)(H,20,21,22)(
    H,23,24,25)(H,26,27,28);
    CZLSHVQVNDDHDQ-UHFFFAOYSA-N    		 O[S](=O)(=O)c1cc(c2ccc3c4c(ccc1c24)c(cc3
    [S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O;
    c1cc2c(cc(c3c2c4c1c(cc(c4cc3)S(=O)(=O)O)
    S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O; O=S(=O
    )(O)c4cc(c2ccc1c(cc(c3c1c2c4cc3)S(=O)(=O
    )O)S(=O)(=O)O)S(=O)(=O)O    		 pyrene-1,3,6,8-tetrasulfonic acid;
    1,3,6,8-pyrenetetrasulfonic acid
    33575
    PTL
    CHEMBL18602
    DB01919
    ZINC000001667603    		 4 C5 H10 O InChI=1S/C5H10O/c1-2-3-4-
    5-6/h5H,2-4H2,1H3;
    HGBOYTHUEUWSSQ-UHFFFAOYSA-N    		 CCCCC=O; O=CCCCC PENTANAL
    33576
    PTM
    ZINC000033821485    		 0 C10 H14 N O6 P InChI=1S/C10H14NO6P/c1-10
    (11,9(12)13)6-7-2-4-8(5-3
    -7)17-18(14,15)16/h2-5H,6
    ,11H2,1H3,(H,12,13)(H2,14
    ,15,16)/t10-/m0/s1;
    ZXNVWXYLFYKNAE-JTQLQIEISA-N    		 C[C@](Cc1ccc(cc1)OP(=O)(O)O)(C(=O)O)N; C
    [C](N)(Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O; C
    C(Cc1ccc(cc1)OP(=O)(O)O)(C(=O)O)N; O=P(O
    c1ccc(cc1)CC(C(=O)O)(N)C)(O)O; C[C@](N)(
    Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O    		 ALPHA-METHYL-O-PHOSPHOTYROSINE
    33577
    PTN    		 0 H9 N3 Pt InChI=1S/3H3N.Pt/h3*1H3;/
    q;;;+2;
    OMAFVUDQJABSNM-UHFFFAOYSA-N    		 N.N.N.[Pt++]; [NH3][Pt+2]([NH3])[NH3] PLATINUM TRIAMINE ION
    33578
    PTO
    CHEMBL1235490
    DB04026
    ZINC000100019971    		 2 C8 H15 N O InChI=1S/C8H15NO/c1-9-6-2
    -3-7(9)5-8(10)4-6/h6-8,10
    H,2-5H2,1H3/t6-,7+,8-;
    CYHOMWAPJJPNMW-RNLVFQAGSA-N    		 CN1[C@H]2CC[C@@H]1CC(O)C2; OC2CC1N(C)C(C
    C1)C2; CN1[CH]2CC[CH]1CC(O)C2; CN1[C@H]2
    CC[C@@H]1CC(C2)O; CN1C2CCC1CC(C2)O    		 PSEUDOTROPINE
    33579
    PTP    		 0 C10 H16 N2 O11 P2 InChI=1/C10H16N2O11P2/c1-
    5-3-12(10(14)11-9(5)13)8-
    2-6(23-25(18,19)20)7(22-8
    )4-21-24(15,16)17/h3,6-8H
    ,2,4H2,1H3,(H,11,13,14)(H
    2,15,16,17)(H2,18,19,20)/
    t6-,7+,8+/m0/s1/f/h11,15-
    16,18-19H;
    CSNCBOPUCJOHLS-AAFSSDHBDI    		 CC1=CN([CH]2C[CH](O[P](O)(O)=O)[CH](CO[P
    ](O)(O)=O)O2)C(=O)NC1=O; O=C1NC(=O)N(C=C
    1C)C2OC(C(OP(=O)(O)O)C2)COP(=O)(O)O; CC1
    =CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)OP(
    =O)(O)O; CC1=CN([C@H]2C[C@H](O[P](O)(O)=
    O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O; CC
    1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C
    OP(=O)(O)O)OP(=O)(O)O    		 THYMIDINE-3',5'-DIPHOSPHATE
    33580
    PTQ
    ZINC000004282257    		 13 C14 H20 O5 S InChI=1S/C14H20O5S/c15-8-
    10-11(16)12(17)13(18)14(1
    9-10)20-7-6-9-4-2-1-3-5-9
    /h1-5,10-18H,6-8H2/t10-,1
    1+,12+,13-,14+/m1/s1;
    ZNAMMSOYKPMPGC-HTOAHKCRSA-N    		 OC[C@H]1O[C@@H](SCCc2ccccc2)[C@H](O)[C@@
    H](O)[C@H]1O; c1ccc(cc1)CCSC2C(C(C(C(O2)
    CO)O)O)O; OC[CH]1O[CH](SCCc2ccccc2)[CH](
    O)[CH](O)[CH]1O; c1ccc(cc1)CCS[C@H]2[C@@
    H]([C@H]([C@H]([C@H](O2)CO)O)O)O; S(CCc1
    ccccc1)C2OC(C(O)C(O)C2O)CO    		 2-phenylethyl 1-thio-beta-D-galactopyranoside;
    2-Phenylethyl beta-D-thiogalactoside, PETG
    33581
    PTR
    CHEMBL286939
    DB01962
    ZINC000001530464    		 12 C9 H12 N O6 P InChI=1S/C9H12NO6P/c10-8(
    9(11)12)5-6-1-3-7(4-2-6)1
    6-17(13,14)15/h1-4,8H,5,1
    0H2,(H,11,12)(H2,13,14,15
    )/t8-/m0/s1;
    DCWXELXMIBXGTH-QMMMGPOBSA-N    		 c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O; N[
    CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O; N[C@
    @H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O; c1cc
    (ccc1CC(C(=O)O)N)OP(=O)(O)O; O=P(Oc1ccc(
    cc1)CC(C(=O)O)N)(O)O    		 O-PHOSPHOTYROSINE;
    PHOSPHONOTYROSINE
    33582
    PTS
    CHEMBL475
    ZINC000006932783    		 1 C8 H12 N2 O4 S3 InChI=1S/C8H12N2O4S3/c1-4
    -2-6(9)5-3-7(17(10,13)14)
    15-8(5)16(4,11)12/h3-4,6H
    ,2,9H2,1H3,(H2,10,13,14)/
    t4-,6-/m0/s1;
    HVURBRAECUMAHY-NJGYIYPDSA-N    		 O=S(=O)(c1sc2c(c1)C(N)CC(C)S2(=O)=O)N; C
    [C@H]1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)
    N)N; C[CH]1C[CH](N)c2cc(sc2[S]1(=O)=O)[S
    ](N)(=O)=O; CC1CC(c2cc(sc2S1(=O)=O)S(=O)
    (=O)N)N; C[C@H]1C[C@H](N)c2cc(sc2[S]1(=O
    )=O)[S](N)(=O)=O    		 (4S-TRANS)-4-(AMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO (2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE
    33583
    PTT    		 4 C21 H25 Mg N10 O13 P2 S4 W InChI=1S/C11H16N5O6PS2.C1
    0H14N5O6PS2.Mg.H2O.W/c1-2
    0-9-5-8(15-11(12)16-9)14-
    10-4(13-5)7(25)6(24)3(22-
    10)2-21-23(17,18)19;11-10
    -14-7-4(8(16)15-10)12-3-6
    (24)5(23)2(21-9(3)13-7)1-
    20-22(17,18)19;;;/h3-4,10
    ,13,24-25H,2H2,1H3,(H2,17
    ,18,19)(H3,12,14,15,16);2
    -3,9,12,23-24H,1H2,(H2,17
    ,18,19)(H4,11,13,14,15,16
    );;1H2;/q;;+2;;+5/p-7/t3-
    ,4+,10-;2-,3+,9-;;;/m11..
    ./s1;
    OMJGSXGVFAOTGU-BYZPVVMBSA-G    		 COc1c2c(nc(n1)N)N[C@H]3[C@@H](N2)C4=C5[C
    @H](O3)COP(=O)(O[Mg]OP(=O)(OC[C@@H]6C7=C
    ([C@H]8[C@@H](O6)NC9=C(N8)C(=O)NC(=N9)N)
    S[W](S5)(S7)(S4)O)O)O; O=P7(O)OCC2OC8Nc9
    nc(nc(OC)c9NC8C=1S[W]3(SC=12)(SC4=C(S3)C
    (OC5NC=6N=C(N)NC(=O)C=6NC45)COP(=O)(O)O[
    Mg]O7)O)N; COc1c2c(nc(n1)N)NC3C(N2)C4=C5
    C(O3)COP(=O)(O[Mg]OP(=O)(OCC6C7=C(C8C(O6
    )NC9=C(N8)C(=O)NC(=N9)N)S[W](S5)(S7)(S4)
    O)O)O; COc1nc(N)nc2N[CH]3O[CH]4CO[P](O)(
    =O)O[Mg]O[P](O)(=O)OC[CH]5O[CH]6NC7=C(N[
    CH]6C8=C5S[W]9(O)(SC4=C(S9)[CH]3Nc12)S8)
    C(=O)NC(=N7)N; COc1nc(N)nc2N[C@@H]3O[C@@
    H]4CO[P](O)(=O)O[Mg]O[P](O)(=O)OC[C@H]5O
    [C@H]6NC7=C(N[C@H]6C8=C5S[W]9(O)(SC4=C(S
    9)[C@@H]3Nc12)S8)C(=O)NC(=N7)N    		 TUNGSTOPTERIN
    33584
    PTU
    CHEMBL451666
    DB03707
    ZINC000006001367    		 4 C9 H12 N2 S InChI=1S/C9H12N2S/c1-2-12
    -9(10)11-8-6-4-3-5-7-8/h3
    -7H,2H2,1H3,(H2,10,11);
    LAXNJIWNBHHMDO-UHFFFAOYSA-N    		 CCSC(N)=Nc1ccccc1; S(\C(=N/c1ccccc1)N)CC
    ; CCSC(=Nc1ccccc1)N    		 2-ETHYL-1-PHENYL-ISOTHIOUREA;
    S-ETHYL-N-PHENYL-ISOTHIOUREA
    33585
    PTV
    ZINC000044858596    		 1 C13 H10 N4 O S2 InChI=1S/C13H10N4OS2/c18-
    10(11-2-1-7-19-11)8-20-13
    -15-12(16-17-13)9-3-5-14-
    6-4-9/h1-7H,8H2,(H,15,16,
    17);
    PCHCUBVZNSWLHT-UHFFFAOYSA-N    		 c1cc(sc1)C(=O)CSc2nc([nH]n2)c3ccncc3; O=
    C(CSc1n[nH]c(n1)c2ccncc2)c3sccc3; O=C(c1
    sccc1)CSc3nc(c2ccncc2)nn3    		 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone
    33586
    PTW
    ZINC000019318998    		 2 C6 H12 N3 P InChI=1S/C6H12N3P/c1-7-2-
    9-3-8(1)5-10(4-7)6-9/h1-6
    H2;
    FXXRPTKTLVHPAR-UHFFFAOYSA-N    		 N13CN2CN(CP(C1)C2)C3; C1N2CN3CN1CP(C2)C3 1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane;
    1,3,5-Triaza-7-phosphaadamantane
    33587
    PTX
    ZINC000038377622    		 2 C7 H11 N4 O5 P S InChI=1S/C7H11N4O5PS/c1-1
    6-11-5(4-2-18-7(8)10-4)6(
    12)9-3-17(13,14)15/h2H,3H
    2,1H3,(H2,8,10)(H,9,12)(H
    2,13,14,15)/b11-5-;
    NUSMEMKZJLGCTR-WZUFQYTHSA-N    		 O=P(O)(O)CNC(=O)C(=N\OC)/c1nc(sc1)N; CO/
    N=C(/c1csc(n1)N)\C(=O)NCP(=O)(O)O; CO\N=
    C(/C(=O)NC[P](O)(O)=O)c1csc(N)n1; CON=C(
    c1csc(n1)N)C(=O)NCP(=O)(O)O; CON=C(C(=O)
    NC[P](O)(O)=O)c1csc(N)n1    		 {[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ETHANOYL]AMINO}METHYLPHOSPHONIC ACID
    33588
    PTY
    ZINC000024540325    		 14 C40 H80 N O8 P InChI=1S/C40H80NO8P/c1-3-
    5-7-9-11-13-15-17-18-19-2
    0-21-23-25-27-29-31-33-40
    (43)49-38(37-48-50(44,45)
    47-35-34-41)36-46-39(42)3
    2-30-28-26-24-22-16-14-12
    -10-8-6-4-2/h38H,3-37,41H
    2,1-2H3,(H,44,45)/t38-/m1
    /s1;
    NJGIRBISCGPRPF-KXQOOQHDSA-N    		 CCCCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCC
    CCCCCCCCCCC)CO[P](O)(=O)OCCN; CCCCCCCCCC
    CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC
    CC)CO[P@](O)(=O)OCCN; O=C(OCC(OC(=O)CCCC
    CCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCC
    CCCCC; CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O
    )CCCCCCCCCCCCCC)COP(=O)(O)OCCN; CCCCCCCC
    CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC
    CCCC)CO[P@@](=O)(O)OCCN    		 PHOSPHATIDYLETHANOLAMINE
    33589
    PTZ
    CHEMBL172066
    ZINC000095082477    		 7 C10 H10 N2 S InChI=1S/C10H10N2S/c1-7-9
    (12-10(11)13-7)8-5-3-2-4-
    6-8/h2-6H,1H3,(H2,11,12);
    HTXQOROHFFYFMC-UHFFFAOYSA-N    		 n2c(c1ccccc1)c(sc2N)C; Cc1sc(N)nc1c2cccc
    c2; Cc1c(nc(s1)N)c2ccccc2    		 5-methyl-4-phenyl-1,3-thiazol-2-amine;
    2-Amino-5-methyl-4-phenylthiazole
    33590
    PU
    ZINC000058661157    		 0 C22 H30 N7 O8 P InChI=1S/C22H30N7O8P/c1-2
    8(2)19-17-20(24-10-23-19)
    29(11-25-17)22-18(31)16(1
    5(9-30)37-22)26-21(32)14(
    27-38(33,34)35)8-12-4-6-1
    3(36-3)7-5-12/h4-7,10-11,
    14-16,18,22,30-31H,8-9H2,
    1-3H3,(H,26,32)(H3,27,33,
    34,35)/t14-,15+,16+,18+,2
    2+/m0/s1;
    FHDMBNGCWMYGNF-NVWDDTSBSA-N    		 CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H
    ]([C@H](O3)CO)NC(=O)[C@H](Cc4ccc(cc4)OC)
    NP(=O)(O)O)O; COc1ccc(C[C@H](N[P](O)(O)=
    O)C(=O)N[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO
    )n3cnc4c(ncnc34)N(C)C)cc1; CN(C)c1c2c(nc
    n1)n(cn2)C3C(C(C(O3)CO)NC(=O)C(Cc4ccc(cc
    4)OC)NP(=O)(O)O)O; O=P(O)(O)NC(C(=O)NC3C
    (OC(n2cnc1c2ncnc1N(C)C)C3O)CO)Cc4ccc(OC)
    cc4; COc1ccc(C[CH](N[P](O)(O)=O)C(=O)N[C
    H]2[CH](O)[CH](O[CH]2CO)n3cnc4c(ncnc34)N
    (C)C)cc1    		 PUROMYCIN-N-AMINOPHOSPHONIC ACID
    33591
    PU0
    CHEMBL326651
    DB04054
    ZINC000006380071    		 1 C18 H22 F N5 O2 InChI=1S/C18H22FN5O2/c1-4
    -5-8-24-14(21-15-16(20)22
    -18(19)23-17(15)24)10-11-
    9-12(25-2)6-7-13(11)26-3/
    h6-7,9H,4-5,8,10H2,1-3H3,
    (H2,20,22,23);
    PASRTKOWXJDFFV-UHFFFAOYSA-N    		 CCCCn1c(Cc2cc(OC)ccc2OC)nc3c(N)nc(F)nc13
    ; Fc1nc(c2nc(n(c2n1)CCCC)Cc3cc(OC)ccc3OC
    )N; CCCCn1c(nc2c1nc(nc2N)F)Cc3cc(ccc3OC)
    OC    		 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
    33592
    PU1
    CHEMBL112953
    DB02550
    ZINC000001552694    		 2 C20 H21 Cl F N5 O3 InChI=1S/C20H21ClFN5O3/c1
    -5-6-7-8-27-13(24-15-18(2
    3)25-20(22)26-19(15)27)10
    -11-9-12(28-2)16(29-3)17(
    30-4)14(11)21/h1,9H,6-8,1
    0H2,2-4H3,(H2,23,25,26);
    KCIOVTSUEXGUFJ-UHFFFAOYSA-N    		 Clc1c(OC)c(OC)c(OC)cc1Cc3nc2c(nc(F)nc2n3
    CCCC#C)N; COc1cc(Cc2nc3c(N)nc(F)nc3n2CCC
    C#C)c(Cl)c(OC)c1OC; COc1cc(c(c(c1OC)OC)C
    l)Cc2nc3c(nc(nc3n2CCCC#C)F)N    		 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE
    33593
    PU2
    CHEMBL324951
    DB03093
    ZINC000003833893    		 1 C14 H14 F N5 O2 InChI=1S/C14H14FN5O2/c1-2
    1-8-3-4-9(22-2)7(5-8)6-10
    -17-11-12(16)19-14(15)20-
    13(11)18-10/h3-5H,6H2,1-2
    H3,(H3,16,17,18,19,20);
    MWHAHELTVGJGFJ-UHFFFAOYSA-N    		 COc1ccc(OC)c(Cc2[nH]c3c(N)nc(F)nc3n2)c1;
    COc1ccc(c(c1)Cc2[nH]c3c(nc(nc3n2)F)N)OC
    ; Fc2nc1nc(nc1c(n2)N)Cc3cc(OC)ccc3OC    		 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
    33594
    PU3
    CHEMBL113690
    DB02754
    ZINC000003832013    		 2 C19 H25 N5 O3 InChI=1S/C19H25N5O3/c1-5-
    6-7-24-15(23-16-18(20)21-
    11-22-19(16)24)10-12-8-13
    (25-2)17(27-4)14(9-12)26-
    3/h8-9,11H,5-7,10H2,1-4H3
    ,(H2,20,21,22);
    TUOSCZDRWRYPRS-UHFFFAOYSA-N    		 CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)O
    C; CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2)nc3c(N)
    ncnc13; n1c(c2nc(n(c2nc1)CCCC)Cc3cc(OC)c
    (OC)c(OC)c3)N    		 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-9H-PURIN-6-AMINE
    33595
    PU4
    CHEMBL112834
    DB03899    		 1 C17 H21 N5 O InChI=1S/C17H21N5O/c1-3-4
    -9-22-14(10-12-5-7-13(23-
    2)8-6-12)21-15-16(18)19-1
    1-20-17(15)22/h5-8,11H,3-
    4,9-10H2,1-2H3,(H2,18,19,
    20);
    NVYATAJRTRFKSW-UHFFFAOYSA-N    		 CCCCn1c(Cc2ccc(OC)cc2)nc3c(N)ncnc13; n1c
    (c2nc(n(c2nc1)CCCC)Cc3ccc(OC)cc3)N; CCCC
    n1c(nc2c1ncnc2N)Cc3ccc(cc3)OC    		 9-BUTYL-8-(4-METHOXYBENZYL)-9H-PURIN-6-AMINE
    33596
    PU5
    CHEMBL109612
    DB03809
    ZINC000012503928    		 1 C17 H21 N5 O InChI=1S/C17H21N5O/c1-3-4
    -8-22-14(10-12-6-5-7-13(9
    -12)23-2)21-15-16(18)19-1
    1-20-17(15)22/h5-7,9,11H,
    3-4,8,10H2,1-2H3,(H2,18,1
    9,20);
    BWLWUGBHOXIUBP-UHFFFAOYSA-N    		 CCCCn1c(Cc2cccc(OC)c2)nc3c(N)ncnc13; CCC
    Cn1c(nc2c1ncnc2N)Cc3cccc(c3)OC; n1c(c2nc
    (n(c2nc1)CCCC)Cc3cccc(OC)c3)N    		 9-BUTYL-8-(3-METHOXYBENZYL)-9H-PURIN-6-AMINE
    33597
    PU6
    CHEMBL326564
    DB08436
    ZINC000003832017    		 1 C17 H19 N5 O2 InChI=1S/C17H19N5O2/c1-2-
    3-6-22-14(21-15-16(18)19-
    9-20-17(15)22)8-11-4-5-12
    -13(7-11)24-10-23-12/h4-5
    ,7,9H,2-3,6,8,10H2,1H3,(H
    2,18,19,20);
    JCDXXNIRWRRGBX-UHFFFAOYSA-N    		 CCCCn1c(nc2c1ncnc2N)Cc3ccc4c(c3)OCO4; O1
    c2ccc(cc2OC1)Cc3nc4c(ncnc4n3CCCC)N; CCCC
    n1c(Cc2ccc3OCOc3c2)nc4c(N)ncnc14    		 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-
    33598
    PU7
    CHEMBL113194
    DB02359
    ZINC000003832018    		 1 C18 H23 N5 O2 InChI=1S/C18H23N5O2/c1-4-
    5-8-23-15(22-16-17(19)20-
    11-21-18(16)23)10-12-9-13
    (24-2)6-7-14(12)25-3/h6-7
    ,9,11H,4-5,8,10H2,1-3H3,(
    H2,19,20,21);
    PPFZLLAIQRZNJE-UHFFFAOYSA-N    		 CCCCn1c(nc2c1ncnc2N)Cc3cc(ccc3OC)OC; n1c
    (c2nc(n(c2nc1)CCCC)Cc3cc(OC)ccc3OC)N; CC
    CCn1c(Cc2cc(OC)ccc2OC)nc3c(N)ncnc13    		 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE
    33599
    PU8
    CHEMBL112896
    DB03504
    ZINC000003832020    		 1 C19 H24 Cl N5 O3 InChI=1S/C19H24ClN5O3/c1-
    5-6-7-25-13(24-15-18(21)2
    2-10-23-19(15)25)9-11-8-1
    2(26-2)16(27-3)17(28-4)14
    (11)20/h8,10H,5-7,9H2,1-4
    H3,(H2,21,22,23);
    IVPCTHKPOPQMSX-UHFFFAOYSA-N    		 Clc1c(OC)c(OC)c(OC)cc1Cc3nc2c(ncnc2n3CCC
    C)N; CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2Cl)nc3
    c(N)ncnc13; CCCCn1c(nc2c1ncnc2N)Cc3cc(c(
    c(c3Cl)OC)OC)OC    		 9-BUTYL-8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE
    33600
    PU9
    CHEMBL326523
    DB04505
    ZINC000005853200    		 1 C20 H22 Cl N5 O3 InChI=1S/C20H22ClN5O3/c1-
    5-6-7-8-26-14(25-16-19(22
    )23-11-24-20(16)26)10-12-
    9-13(27-2)17(28-3)18(29-4
    )15(12)21/h1,9,11H,6-8,10
    H2,2-4H3,(H2,22,23,24);
    WUJFGZAAFADPSF-UHFFFAOYSA-N    		 COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(ncnc3n2CCC
    C#C)N; COc1cc(Cc2nc3c(N)ncnc3n2CCCC#C)c(
    Cl)c(OC)c1OC; Clc1c(OC)c(OC)c(OC)cc1Cc3n
    c2c(ncnc2n3CCCC#C)N    		 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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