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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.
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  • If multiple SMILES strings exists for the same ligand, different SMILES are separated by semicolon ";".

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    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    33201
    PIZ    		 2 C41 H82 O22 P4 InChI=1S/C41H82O22P4/c1-3
    -5-7-9-11-13-15-17-19-21-
    23-25-27-29-34(42)57-31-3
    3(59-35(43)30-28-26-24-22
    -20-18-16-14-12-10-8-6-4-
    2)32-58-67(55,56)63-38-36
    (44)39(60-64(46,47)48)41(
    62-66(52,53)54)40(37(38)4
    5)61-65(49,50)51/h33,36-4
    1,44-45H,3-32H2,1-2H3,(H,
    55,56)(H2,46,47,48)(H2,49
    ,50,51)(H2,52,53,54)/t33-
    ,36-,37-,38-,39+,40-,41-/
    m0/s1;
    ZSZXYWFCIKKZBT-XMZWCAJNSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O
    [CH]1[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](
    O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)C
    CCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OCC(
    COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=
    O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCC
    C; CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P](O)
    (=O)O[C@@H]1[C@H](O)[C@H](O[P](O)(O)=O)[
    C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C
    @H]1O)OC(=O)CCCCCCCCCCCCCCC; O=C(OCC(OC(
    =O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(OP
    (=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)C
    CCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC[C
    @@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([
    C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)
    O)OC(=O)CCCCCCCCCCCCCCC    		 (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate;
    PI(3,4,5)P3 dipalmitoyl (16:0, 16:0)
    33202
    PJ0
    CHEMBL5186479
    ZINC000022628281    		 1 C9 H9 N3 InChI=1S/C9H9N3/c1-6-5-8-
    7(12-9(6)10)3-2-4-11-8/h2
    -5H,1H3,(H2,10,12);
    QRLYUZQZBLJANT-UHFFFAOYSA-N    		 Cc1cc2ncccc2nc1N; Cc1cc2c(cccn2)nc1N 3-methyl-1,5-naphthyridin-2-amine
    33203
    PJ1    		 1 C13 H16 Cl N3 O InChI=1S/C13H16ClN3O/c1-1
    6(12-4-2-11(14)3-5-12)8-1
    3(18)9-17-7-6-15-10-17/h2
    -7,10,13,18H,8-9H2,1H3/t1
    3-/m1/s1;
    KGEMWOTUFKRWDE-CYBMUJFWSA-N    		 CN(CC(Cn1ccnc1)O)c2ccc(cc2)Cl; CN(C[C@@H
    ](O)Cn1ccnc1)c2ccc(Cl)cc2; CN(C[C@H](Cn1
    ccnc1)O)c2ccc(cc2)Cl; CN(C[CH](O)Cn1ccnc
    1)c2ccc(Cl)cc2; c1(ccc(cc1)Cl)N(CC(Cn2cc
    nc2)O)C    		 (2R)-1-[(4-chlorophenyl)(methyl)amino]-3-(1H-imidazol-1-yl)propan-2-ol
    33204
    PJ2
    ZINC000100612358    		 3 C20 H30 O4 InChI=1S/C20H30O4/c1-2-3-
    6-10-17(21)13-14-18-16(12
    -15-19(18)22)9-7-4-5-8-11
    -20(23)24/h4,7,12,14-17,2
    1H,2-3,5-6,8-11,13H2,1H3,
    (H,23,24)/b7-4-,18-14-/t1
    6-,17-/m0/s1;
    TUXFWOHFPFBNEJ-WHYHPIPXSA-N    		 CCCCC[C@H](O)C\C=C/1[C@@H](C\C=C/CCCC(O)
    =O)C=CC/1=O; CCCCCC(CC=C1C(C=CC1=O)CC=CC
    CCC(=O)O)O; CCCCC[C@@H](C/C=C\1/[C@H](C=
    CC1=O)C/C=C\CCCC(=O)O)O; CCCCC[CH](O)CC=
    C1[CH](CC=CCCCC(O)=O)C=CC1=O; O=C(O)CCC/
    C=C\CC1C=CC(=O)\C1=C/CC(O)CCCCC    		 (5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid;
    delta12-prostaglandine J2
    33205
    PJ3    		 0 C17 H25 N8 O9 P InChI=1S/C17H25N8O9P/c1-2
    3-6-25(13-10(23)14(28)22-
    17(19)21-13)15-12(27)11(2
    6)9(34-15)4-33-35(31,32)2
    4-3-7(20-5-24)2-8(18)16(2
    9)30/h3,5,8-9,11-12,15,26
    -27H,2,4,6,18H2,1H3,(H,29
    ,30)(H,31,32)(H3,19,21,22
    ,28)/t8-,9+,11+,12+,15+/m
    0/s1;
    GHFKLICNYXEREV-OPYVMVOTSA-N    		 CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C
    @@H]([C@H](O3)COP(=O)(n4cc(nc4)C[C@@H](C
    (=O)O)N)O)O)O; CN1CN([C@@H]2O[C@H](CO[P]
    (O)(=O)n3cnc(C[C@H](N)C(O)=O)c3)[C@@H](O
    )[C@H]2O)C4=C1C(=O)NC(=N4)N; CN1CN(C2=C1
    C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(n4cc(nc
    4)CC(C(=O)O)N)O)O)O; CN1CN([CH]2O[CH](CO
    [P](O)(=O)n3cnc(C[CH](N)C(O)=O)c3)[CH](O
    )[CH]2O)C4=C1C(=O)NC(=N4)N    		 (2~{S})-2-azanyl-3-[1-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-4-yl]propanoic acid;
    7GMP capped histidine
    33206
    PJ4    		 1 C14 H18 Cl N3 InChI=1S/C14H18ClN3/c1-17
    -6-8-18(9-7-17)14-12-5-3-
    2-4-11(12)10-13(15)16-14/
    h2-5,14H,6-10H2,1H3;
    CNZUDFLBFGHIKZ-UHFFFAOYSA-N    		 CN1CCN(CC1)C2c3ccccc3CC(=N2)Cl; c12C(N=C
    (Cl)Cc1cccc2)N3CCN(CC3)C; CN1CCN(CC1)[CH
    ]2N=C(Cl)Cc3ccccc23; CN1CCN(CC1)[C@H]2N=
    C(Cl)Cc3ccccc23    		 (1S)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline
    33207
    PJ5    		 1 C6 H12 O4 InChI=1S/C6H12O4/c7-2-3-1
    -4(8)6(10)5(3)9/h3-10H,1-
    2H2/t3-,4-,5-,6-/m0/s1;
    PHKHGSSZAJVEQK-BXKVDMCESA-N    		 OC[CH]1C[CH](O)[CH](O)[CH]1O; C1C(C(C(C1
    O)O)O)CO; C1[C@H]([C@@H]([C@H]([C@H]1O)O
    )O)CO; OC[C@@H]1C[C@H](O)[C@H](O)[C@H]1O    		 (1~{S},2~{S},3~{S},4~{S})-4-(hydroxymethyl)cyclopentane-1,2,3-triol
    33208
    PJ6    		 5 C20 H17 Cl N2 O3 InChI=1S/C20H17ClN2O3/c1-
    25-20(8-9-26-18-7-6-14(21
    )10-16(18)20)19(24)23-17-
    12-22-11-13-4-2-3-5-15(13
    )17/h2-7,10-12H,8-9H2,1H3
    ,(H,23,24)/t20-/m0/s1;
    FRAUGLSYTUOOAF-FQEVSTJZSA-N    		 Clc1ccc2OCCC(OC)(c2c1)C(=O)Nc1cncc2ccccc
    21; CO[C@]1(CCOc2ccc(Cl)cc12)C(=O)Nc3cnc
    c4ccccc34; CO[C]1(CCOc2ccc(Cl)cc12)C(=O)
    Nc3cncc4ccccc34; COC1(CCOc2c1cc(cc2)Cl)C
    (=O)Nc3cncc4c3cccc4; CO[C@]1(CCOc2c1cc(c
    c2)Cl)C(=O)Nc3cncc4c3cccc4    		 (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    33209
    PJ7    		 2 C5 H5 N O3 InChI=1S/C5H5NO3/c6-3-1-4
    (5(7)8)9-2-3/h1-2H,6H2,(H
    ,7,8);
    JZMYAVSMLZDPMH-UHFFFAOYSA-N    		 O=C(O)c1occ(N)c1; c1c(coc1C(=O)O)N; Nc1c
    oc(c1)C(O)=O    		 4-aminofuran-2-carboxylic acid
    33210
    PJ8
    CHEMBL3185332
    ZINC000008217397    		 2 C17 H36 InChI=1S/C17H36/c1-3-5-7-
    9-11-13-15-17-16-14-12-10
    -8-6-4-2/h3-17H2,1-2H3;
    NDJKXXJCMXVBJW-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCCC heptadecane
    33211
    PJA
    CHEMBL176570
    ZINC000001598047    		 1 C18 H14 O8 InChI=1S/C18H14O8/c1-7-4-
    11(20)10(6-19)15-13(7)18(
    23)26-14-8(2)12(24-3)5-9(
    17(21)22)16(14)25-15/h4-6
    ,20H,1-3H3,(H,21,22);
    FUCWJKJZOHOLEO-UHFFFAOYSA-N    		 O=C(O)c1c2Oc3c(C(=O)Oc2c(c(OC)c1)C)c(cc(
    O)c3C=O)C; COc1cc(C(O)=O)c2Oc3c(C=O)c(O)
    cc(C)c3C(=O)Oc2c1C; Cc1cc(c(c2c1C(=O)Oc3
    c(c(cc(c3O2)C(=O)O)OC)C)C=O)O    		 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid;
    Psoromic acid
    33212
    PJB    		 1 C17 H16 N4 O4 S InChI=1S/C17H16N4O4S/c1-2
    5-11-6-7-14(22)13(8-11)15
    -19-20-17(26)21(15)18-9-1
    0-4-2-3-5-12(10)16(23)24/
    h2-8,18,22H,9H2,1H3,(H,20
    ,26)(H,23,24);
    OLMZFBBODPIUOT-UHFFFAOYSA-N    		 COc1ccc(c(c1)C2=NNC(=S)N2NCc3ccccc3C(=O)
    O)O; COc1ccc(O)c(c1)C2=NNC(=S)N2NCc3cccc
    c3C(O)=O    		 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid
    33213
    PJC
    CHEMBL1235315
    ZINC000058650199    		 1 C22 H16 F3 N5 O3 InChI=1S/C22H16F3N5O3/c23
    -22(24,25)14-10-27-21(30-
    7-5-11(31)6-8-30)28-18(14
    )17-16(19(32)29-20(17)33)
    13-9-26-15-4-2-1-3-12(13)
    15/h1-4,9-10,26H,5-8H2,(H
    ,29,32,33);
    MYIILBMNTUDZDH-UHFFFAOYSA-N    		 c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4c(
    cnc(n4)N5CCC(=O)CC5)C(F)(F)F; FC(F)(F)c1
    cnc(nc1C2=C(C(=O)NC2=O)c3c[nH]c4ccccc34)
    N5CCC(=O)CC5    		 3-(1H-indol-3-yl)-4-[2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrole-2,5-dione
    33214
    PJD
    ZINC000000138587    		 1 C8 H8 Cl2 O2 S InChI=1S/C8H8Cl2O2S/c1-13
    (11,12)5-6-7(9)3-2-4-8(6)
    10/h2-4H,5H2,1H3;
    YQGFLUVOLNGRET-UHFFFAOYSA-N    		 c1(c(cccc1Cl)Cl)CS(C)(=O)=O; CS(=O)(=O)C
    c1c(cccc1Cl)Cl; C[S](=O)(=O)Cc1c(Cl)cccc
    1Cl    		 1,3-dichloro-2-[(methylsulfonyl)methyl]benzene
    33215
    PJE
    ZINC000146379090    		 0 C9 H14 N2 O3 InChI=1S/C9H14N2O3/c10-7(
    1-2-8(12)13)5-6-3-4-11-9(
    6)14/h1-2,6-7H,3-5,10H2,(
    H,11,14)(H,12,13)/b2-1+/t
    6-,7+/m0/s1;
    DGQBDXFRBIXHDR-FJZRIBRESA-N    		 N[C@@H](C[C@@H]1CCNC1=O)/C=C/C(O)=O; N[C
    H](C[CH]1CCNC1=O)C=CC(O)=O; C1CNC(=O)C1C
    C(C=CC(=O)O)N; C1CNC(=O)[C@@H]1C[C@@H](/
    C=C/C(=O)O)N    		 (E,4S)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoic acid
    33216
    PJF
    CHEMBL5290620    		 14 C24 H22 Cl N5 O InChI=1S/C24H22ClN5O/c25-
    20-6-4-17(5-7-20)15-30-23
    (31)21-16-28(14-19-3-1-2-
    18(12-19)13-26)10-8-22(21
    )29-11-9-27-24(29)30/h1-7
    ,12H,8-11,14-16H2;
    QFVFQQBTVHHWBZ-UHFFFAOYSA-N    		 Clc1ccc(CN2C(=O)C3=C(CCN(Cc4cccc(c4)C#N)
    C3)N5CCN=C25)cc1; c1cc(cc(c1)C#N)CN2CCC3
    =C(C2)C(=O)N(C4=NCCN34)Cc5ccc(cc5)Cl; Cl
    c1ccc(cc1)CN1C2=NCCN2C=2CCN(Cc3cccc(C#N)
    c3)CC=2C1=O    		 3-{[(10R)-4-[(4-chlorophenyl)methyl]-5-oxo-1,2,4,5,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-7(6H)-yl]methyl}benzonitrile
    33217
    PJG    		 0 C12 H22 N2 InChI=1S/C12H22N2/c13-1-2
    -14-12-6-9-3-10(7-12)5-11
    (4-9)8-12/h9-11,14H,1-8,1
    3H2/t9-,10+,11-,12-;
    IQMUFNISQFPZJC-CDECOKDKSA-N    		 NCCNC12CC3CC(CC(C3)C1)C2; C1C2CC3CC1CC(C
    2)(C3)NCCN; C13(CC2CC(CC(C1)C2)C3)NCCN    		 N~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine
    33218
    PJH
    CHEMBL11978
    DB08840
    ZINC000000404444    		 2 C7 H8 N2 O InChI=1S/C7H8N2O/c1-8-7(1
    0)6-3-2-4-9-5-6/h2-5H,1H3
    ,(H,8,10);
    ZYVXHFWBYUDDBM-UHFFFAOYSA-N    		 CNC(=O)c1cccnc1 ~{N}-methylpyridine-3-carboxamide
    33219
    PJI    		 1 C40 H57 Cl N3 O3 InChI=1S/C40H56ClN3O3/c1-
    39(2)32-18-10-12-20-34(32
    )43(5)36(39)22-17-23-37-4
    0(3,4)33-19-11-13-21-35(3
    3)44(37)27-15-8-9-24-38(4
    5)42-26-29-47-31-30-46-28
    -16-7-6-14-25-41/h10-13,1
    7-23H,6-9,14-16,24-31H2,1
    -5H3/p+1;
    PMDIAZIQXAWRGJ-UHFFFAOYSA-O    		 CC1(c2ccccc2[N+](=C1C=CC=C3C(c4ccccc4N3C
    )(C)C)CCCCCC(=O)NCCOCCOCCCCCCCl)C; CN\1c
    2ccccc2C(C)(C)C\1=C\C=C\C3=[N+](CCCCCC(=
    O)NCCOCCOCCCCCCCl)c4ccccc4C3(C)C; CN1c2c
    cccc2C(C)(C)C1=CC=CC3=[N+](CCCCCC(=O)NCC
    OCCOCCCCCCCl)c4ccccc4C3(C)C; CC1(c2ccccc
    2[N+](=C1/C=C/C=C3C(c4ccccc4N3C)(C)C)CCC
    CCC(=O)NCCOCCOCCCCCCCl)C    		 ~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-6-[3,3-dimethyl-2-[(~{E})-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]indol-1-ium-1-yl]hexanamide
    33220
    PJJ
    ZINC000098209304    		 0 C19 H23 N O3 InChI=1S/C19H23NO3/c20-17
    (12-15-9-5-2-6-10-15)18(2
    1)13-16(19(22)23)11-14-7-
    3-1-4-8-14/h1-10,16-18,21
    H,11-13,20H2,(H,22,23)/t1
    6-,17+,18+/m1/s1;
    FXTZKZFWIYSHRP-SQNIBIBYSA-N    		 c1ccc(cc1)CC(CC(C(Cc2ccccc2)N)O)C(=O)O;
    O=C(O)C(Cc1ccccc1)CC(O)C(N)Cc2ccccc2; N[
    C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc2cccc
    c2)C(O)=O; c1ccc(cc1)C[C@H](C[C@@H]([C@H
    ](Cc2ccccc2)N)O)C(=O)O; N[CH](Cc1ccccc1)
    [CH](O)C[CH](Cc2ccccc2)C(O)=O    		 (2R,4S,5S)-5-amino-2-benzyl-4-hydroxy-6-phenylhexanoic acid
    33221
    PJK
    CHEMBL4637220    		 1 C12 H11 Cl F3 N O2 InChI=1S/C12H11ClF3NO2/c1
    3-10-2-1-8(5-9(10)12(14,1
    5)16)17-4-3-7(6-17)11(18)
    19/h1-2,5,7H,3-4,6H2,(H,1
    8,19)/t7-/m0/s1;
    XTYYFZCQCKEYKG-ZETCQYMHSA-N    		 c1cc(c(cc1N2CCC(C2)C(=O)O)C(F)(F)F)Cl; O
    C(=O)[CH]1CCN(C1)c2ccc(Cl)c(c2)C(F)(F)F;
    OC(=O)[C@H]1CCN(C1)c2ccc(Cl)c(c2)C(F)(F
    )F; c1cc(c(cc1N2CC[C@@H](C2)C(=O)O)C(F)(
    F)F)Cl    		 (3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
    33222
    PJL    		 2 C6 H7 N O4 InChI=1S/C6H7NO4/c8-4-2-5
    (9)7-3-1-6(10)11/h2-4,8H,
    1H2,(H,10,11)/b4-2+,7-3+;
    FVWUPCWGBLBUEE-JKEDICHKSA-N    		 C(/C=N/C(=O)/C=C/O)C(=O)O; O\C=C\C(=O)N=
    CCC(O)=O; C(C=NC(=O)C=CO)C(=O)O; OC=CC(=
    O)N=CCC(O)=O    		 (3~{E})-3-[(~{E})-3-oxidanylprop-2-enoyl]iminopropanoic acid
    33223
    PJM
    CHEMBL4522116    		 2 C36 H23 Cl F3 N7 O2 InChI=1S/C36H23ClF3N7O2/c
    37-30-16-24(21-5-8-27(38)
    9-6-21)7-10-29(30)32(18-4
    7-12-11-41-20-47)44-34(48
    )22-1-3-23(4-2-22)35-45-4
    6-36(49-35)26-13-25(14-28
    (39)15-26)33-31(40)17-42-
    19-43-33/h1-17,19-20,32H,
    18H2,(H,44,48)/t32-/m0/s1;
    ZSDQWZVUVIKSDR-YTTGMZPUSA-N    		 Fc1ccc(cc1)c2ccc([CH](Cn3ccnc3)NC(=O)c4c
    cc(cc4)c5oc(nn5)c6cc(F)cc(c6)c7ncncc7F)c
    (Cl)c2; c1(ncncc1F)c2cc(F)cc(c2)c3oc(nn3
    )c4ccc(cc4)C(=O)NC(Cn5ccnc5)c6c(Cl)cc(cc
    6)c7ccc(F)cc7; c1cc(ccc1c2nnc(o2)c3cc(cc
    (c3)F)c4c(cncn4)F)C(=O)N[C@@H](Cn5ccnc5)
    c6ccc(cc6Cl)c7ccc(cc7)F; c1cc(ccc1c2nnc(
    o2)c3cc(cc(c3)F)c4c(cncn4)F)C(=O)NC(Cn5c
    cnc5)c6ccc(cc6Cl)c7ccc(cc7)F; Fc1ccc(cc1
    )c2ccc([C@H](Cn3ccnc3)NC(=O)c4ccc(cc4)c5
    oc(nn5)c6cc(F)cc(c6)c7ncncc7F)c(Cl)c2    		 N-[(1R)-1-(3-chloro-4'-fluoro[1,1'-biphenyl]-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[3-fluoro-5-(5-fluoropyrimidin-4-yl)phenyl]-1,3,4-oxadiazol-2-yl}benzamide
    33224
    PJN    		 1 C23 H16 N2 O6 InChI=1S/C23H16N2O6/c26-1
    8-9-5-4-8-17(18)24-20(14-
    10-12-16(13-11-14)25(30)3
    1)19(22(28)23(24)29)21(27
    )15-6-2-1-3-7-15/h1-13,20
    ,26,28H/t20-/m1/s1;
    UQZFYWKUHIJIEJ-HXUWFJFHSA-N    		 Oc1ccccc1N2[C@H](c3ccc(cc3)[N](=O)=O)C(=
    C(O)C2=O)C(=O)c4ccccc4; c1ccc(cc1)C(=O)C
    2=C(C(=O)N(C2c3ccc(cc3)N(=O)=O)c4ccccc4O
    )O; Oc1ccccc1N2[CH](c3ccc(cc3)[N](=O)=O)
    C(=C(O)C2=O)C(=O)c4ccccc4; c1ccc(cc1)C(=
    O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)N(=O)=O)c
    4ccccc4O)O    		 (2~{R})-1-(2-hydroxyphenyl)-2-(4-nitrophenyl)-4-oxidanyl-3-(phenylcarbonyl)-2~{H}-pyrrol-5-one
    33225
    PJO
    CHEMBL232201
    DB13277
    ZINC000003875456    		 2 C17 H12 I2 O3 InChI=1S/C17H12I2O3/c1-2-
    13-15(10-5-3-4-6-14(10)22
    -13)16(20)9-7-11(18)17(21
    )12(19)8-9/h3-8,21H,2H2,1
    H3;
    CZCHIEJNWPNBDE-UHFFFAOYSA-N    		 CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)O)I;
    CCc1oc2ccccc2c1C(=O)c3cc(I)c(O)c(I)c3    		 Benziodarone;
    Amplivix;
    Dilafurane
    33226
    PJP
    ZINC000000028303    		 1 C11 H17 N O2 S InChI=1S/C11H17NO2S/c1-4-
    12(5-2)15(13,14)11-8-6-10
    (3)7-9-11/h6-9H,4-5H2,1-3
    H3;
    AOJBACHWNDMRQP-UHFFFAOYSA-N    		 CCN(CC)S(=O)(=O)c1ccc(cc1)C; CCN(CC)[S](
    =O)(=O)c1ccc(C)cc1; CCN(CC)S(c1ccc(cc1)C
    )(=O)=O    		 N,N-diethyl-4-methylbenzene-1-sulfonamide
    33227
    PJQ
    CHEMBL4466522    		 11 C23 H20 Cl F3 N4 O5 InChI=1S/C23H20ClF3N4O5/c
    1-29-19-18(20(33)30(22(29
    )34)10-3-11-32)31(13-14-6
    -8-15(24)9-7-14)21(28-19)
    35-16-4-2-5-17(12-16)36-2
    3(25,26)27/h2,4-9,12,32H,
    3,10-11,13H2,1H3;
    PRJHEJGMSOBHTO-UHFFFAOYSA-N    		 CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(
    Oc4cccc(OC(F)(F)F)c4)nc12; CN1c2c(n(c(n2
    )Oc3cccc(c3)OC(F)(F)F)Cc4ccc(cc4)Cl)C(=O
    )N(C1=O)CCCO    		 7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione
    33228
    PJR    		 3 C24 H40 F2 N3 O8 S InChI=1S/C24H38F2N3O8S/c1
    -13(2)9-18(21(31)28-19(22
    (32)38(34,35)36)11-15-5-8
    -27-20(15)30)29-23(33)37-
    12-16-10-17(16)14-3-6-24(
    25,26)7-4-14/h13-19,22,32
    H,3-12H2,1-2H3,(H3-2,27,2
    8,29,30,31,33,34,35,36)/q
    -1/p+2/t15-,16+,17+,18-,1
    9-,22-/m0/s1;
    ACNPODIUBZVYHB-WUOGMODZSA-P    		 CC(C)C[C@H](NC(=O)OC[C@H]1C[C@@H]1C2CCC(
    F)(F)CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C
    @@H](O)[S+](O)(O)=O; CC(C)C[CH](NC(=O)OC
    [CH]1C[CH]1C2CCC(F)(F)CC2)C(=O)N[CH](C[C
    H]3CCNC3=O)[CH](O)[S+](O)(O)=O; CC(C)CC(
    C(=O)NC(CC1CCNC1=O)C(O)[S+](=O)(O)O)NC(=
    O)OCC2CC2C3CCC(CC3)(F)F; CC(C)C[C@@H](C(
    =O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)[S+]
    (=O)(O)O)NC(=O)OC[C@H]2C[C@@H]2C3CCC(CC3
    )(F)F    		 [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
    33229
    PJS
    ZINC000048708335    		 1 C14 H13 Cl F N3 O InChI=1S/C14H13ClFN3O/c1-
    9-17-7-6-13(18-9)14(20)19
    (2)8-10-11(15)4-3-5-12(10
    )16/h3-7H,8H2,1-2H3;
    MOTYBLMYPYOWBD-UHFFFAOYSA-N    		 Cc1nccc(n1)C(=O)N(C)Cc2c(cccc2Cl)F; CN(C
    c1c(F)cccc1Cl)C(=O)c2ccnc(C)n2; Cc1nc(cc
    n1)C(N(Cc2c(F)cccc2Cl)C)=O    		 N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide
    33230
    PJT    		 1 C20 H21 N3 O3 S InChI=1S/C20H21N3O3S/c1-1
    3-12-16-17(24)20(25)6-7-2
    3(19(20)21-18(16)27-13)15
    -4-2-14(3-5-15)22-8-10-26
    -11-9-22/h2-5,12,25H,6-11
    H2,1H3/t20-/m1/s1;
    KUIAFBSRBMWQQP-HXUWFJFHSA-N    		 Cc1sc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c4ccc(c
    c4)N5CCOCC5; Cc1cc2c(s1)N=C3[C@](C2=O)(C
    CN3c4ccc(cc4)N5CCOCC5)O; Cc1sc2N=C3N(CC[
    C]3(O)C(=O)c2c1)c4ccc(cc4)N5CCOCC5; Cc1c
    c2c(s1)N=C3C(C2=O)(CCN3c4ccc(cc4)N5CCOCC
    5)O    		 (9~{S})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one
    33231
    PJU
    CHEMBL5219830    		 1 C22 H25 Cl F2 N6 O3 InChI=1S/C22H25ClF2N6O3/c
    23-19-10-17(27-22(26)28-1
    9)20-15(11-31(29-20)21(24
    )25)9-14-3-1-2-4-18(14)34
    -8-6-30-5-7-33-13-16(30)1
    2-32/h1-4,10-11,16,21,32H
    ,5-9,12-13H2,(H2,26,27,28
    )/t16-/m1/s1;
    XVGSKZXXLKUEIO-MRXNPFEDSA-N    		 c1ccc(c(c1)Cc2cn(nc2c3cc(nc(n3)N)Cl)C(F)
    F)OCCN4CCOC[C@H]4CO; Nc1nc(Cl)cc(n1)c2nn
    (cc2Cc3ccccc3OCCN4CCOC[C@H]4CO)C(F)F; Nc
    1nc(Cl)cc(n1)c2nn(cc2Cc3ccccc3OCCN4CCOC[
    CH]4CO)C(F)F; c1ccc(c(c1)Cc2cn(nc2c3cc(n
    c(n3)N)Cl)C(F)F)OCCN4CCOCC4CO    		 [(3~{R})-4-[2-[2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-[bis(fluoranyl)methyl]pyrazol-4-yl]methyl]phenoxy]ethyl]morpholin-3-yl]methanol
    33232
    PJV
    ZINC000052815764    		 1 C10 H7 Br N2 O InChI=1S/C10H7BrN2O/c11-8
    -4-1-2-5-9(8)14-10-6-3-7-
    12-13-10/h1-7H;
    PESLFQDAIUALFG-UHFFFAOYSA-N    		 c1ccc(c(c1)Oc2cccnn2)Br; Brc1ccccc1Oc2cc
    cnn2; c1(Br)ccccc1Oc2cccnn2    		 3-(2-bromophenoxy)pyridazine
    33233
    PJW
    CHEMBL1616388    		 2 C12 H8 I InChI=1S/C12H9I/c1-3-7-11
    -9(5-1)10-6-2-4-8-12(10)1
    3-11/h1-8,13H;
    PEWVMQDYYUSPRM-UHFFFAOYSA-N    		 c1ccc2c(c1)-c3ccccc3I2; [I]1c2ccccc2c3cc
    ccc13    		 benzo[b][1]benziodole
    33234
    PJX    		 4 C20 H18 Cl N3 O InChI=1S/C20H18ClN3O/c1-2
    4-9-8-16(17-10-14(21)6-7-
    19(17)24)20(25)23-18-12-2
    2-11-13-4-2-3-5-15(13)18/
    h2-7,10-12,16H,8-9H2,1H3,
    (H,23,25)/t16-/m1/s1;
    NIZLDWOVHDTVKM-MRXNPFEDSA-N    		 Clc1ccc2c(c1)C(CCN2C)C(=O)Nc1cncc2ccccc2
    1; CN1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3c
    ccc4; CN1CC[C@@H](C(=O)Nc2cncc3ccccc23)c
    4cc(Cl)ccc14; CN1CC[C@H](c2c1ccc(c2)Cl)C
    (=O)Nc3cncc4c3cccc4; CN1CC[CH](C(=O)Nc2c
    ncc3ccccc23)c4cc(Cl)ccc14    		 (4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
    33235
    PJY
    ZINC000000092203    		 1 C9 H12 N2 O S InChI=1S/C9H12N2OS/c1-11(
    2)9(12)7-5-4-6-10-8(7)13-
    3/h4-6H,1-3H3;
    KORZBTDVYBSAMM-UHFFFAOYSA-N    		 CSc1c(cccn1)C(=O)N(C)C; CSc1ncccc1C(=O)N
    (C)C; CN(C)C(=O)c1cccnc1SC    		 N,N-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide
    33236
    PJZ
    ZINC000263620847    		 1 C30 H48 O4 InChI=1S/C30H48O4/c1-4-6-
    8-10-12-14-15-16-18-19-21
    -23-25-29(31)33-27-28(3)3
    4-30(32)26-24-22-20-17-13
    -11-9-7-5-2/h6,8,10,12,14
    -16,18-19,21,28H,4-5,7,9,
    11,13,17,20,22-27H2,1-3H3
    /b8-6+,12-10+,15-14+,18-1
    6+,21-19+/t28-/m1/s1;
    ONKSLGBBXPETKB-WGIZECGSSA-N    		 CCCCCCCCCCCC(=O)OC(C)COC(=O)CCC=CC=CC=CC
    =CC=CCC; CCCCCCCCCCCC(=O)OC(C)COC(=O)CC/
    C=C/C=C/C=C/C=C/C=C/CC; CCCCCCCCCCCC(=O)
    O[C@H](C)COC(=O)CC\C=C\C=C\C=C\C=C\C=C\C
    C; CCCCCCCCCCCC(=O)O[CH](C)COC(=O)CCC=CC
    =CC=CC=CC=CCC; O=C(OC(C)COC(=O)CC\C=C\C=
    C\C=C\C=C\C=C\CC)CCCCCCCCCCC    		 (2R)-2-(dodecanoyloxy)propyl (4E,6E,8E,10E,12E)-pentadeca-4,6,8,10,12-pentaenoate
    33237
    PK0
    CHEMBL2177238
    ZINC000043176168    		 1 C19 H14 F3 N3 O3 InChI=1S/C19H14F3N3O3/c1-
    18(12-4-7-14(26)8-5-12)16
    (27)25(17(28)24(18)2)13-6
    -3-11(10-23)15(9-13)19(20
    ,21)22/h3-9,26H,1-2H3/t18
    -/m1/s1;
    IHPVXUVRRPAUIQ-GOSISDBHSA-N    		 CN1C(=O)N(c2ccc(C#N)c(c2)C(F)(F)F)C(=O)[
    C]1(C)c3ccc(O)cc3; C[C@]1(C(=O)N(C(=O)N1
    C)c2ccc(c(c2)C(F)(F)F)C#N)c3ccc(cc3)O; F
    C(F)(F)c3cc(N2C(=O)N(C)C(c1ccc(O)cc1)(C2
    =O)C)ccc3C#N; CC1(C(=O)N(C(=O)N1C)c2ccc(
    c(c2)C(F)(F)F)C#N)c3ccc(cc3)O; CN1C(=O)N
    (c2ccc(C#N)c(c2)C(F)(F)F)C(=O)[C@@]1(C)c
    3ccc(O)cc3    		 4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
    33238
    PK1
    CHEMBL2177230
    ZINC000095575041    		 1 C17 H14 Cl2 N2 O2 S InChI=1S/C17H14Cl2N2O2S/c
    1-17(10-3-6-12(22)7-4-10)
    15(23)21(16(24)20(17)2)11
    -5-8-13(18)14(19)9-11/h3-
    9,22H,1-2H3/t17-/m1/s1;
    YPONBLYNQFHCLA-QGZVFWFLSA-N    		 CN1C(=S)N(C(=O)[C@@]1(C)c2ccc(O)cc2)c3cc
    c(Cl)c(Cl)c3; CN1C(=S)N(C(=O)[C]1(C)c2cc
    c(O)cc2)c3ccc(Cl)c(Cl)c3; Clc3ccc(N2C(=S
    )N(C)C(c1ccc(O)cc1)(C2=O)C)cc3Cl; CC1(C(
    =O)N(C(=S)N1C)c2ccc(c(c2)Cl)Cl)c3ccc(cc3
    )O; C[C@]1(C(=O)N(C(=S)N1C)c2ccc(c(c2)Cl
    )Cl)c3ccc(cc3)O    		 (5R)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one
    33239
    PK2
    ZINC000039195957    		 2 C19 H27 N7 O InChI=1S/C19H27N7O/c1-21-
    19-23-14-9-13-15(24-18(20
    )26-17(13)27)12(16(14)25-
    19)7-8-22-10-11-5-3-2-4-6
    -11/h9,11,22H,2-8,10H2,1H
    3,(H2,21,23,25)(H3,20,24,
    26,27);
    ZKRVOXSNLYAMLM-UHFFFAOYSA-N    		 O=C1c3c(N=C(N)N1)c(c2nc(nc2c3)NC)CCNCC4C
    CCCC4; CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCCC
    4)N=C(NC3=O)N; CNc1[nH]c2cc3C(=O)NC(=Nc3
    c(CCNCC4CCCCC4)c2n1)N    		 6-amino-4-{2-[(cyclohexylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
    33240
    PK3
    ZINC000039196469    		 1 C12 H14 N6 O2 InChI=1S/C12H14N6O2/c1-14
    -12-15-7-4-6-8(16-11(13)1
    8-10(6)20)5(2-3-19)9(7)17
    -12/h4,19H,2-3H2,1H3,(H2,
    14,15,17)(H3,13,16,18,20);
    VKUWLKQBGXDONE-UHFFFAOYSA-N    		 O=C3NC(=Nc2c(c1nc(nc1cc23)NC)CCO)N; CNc1
    [nH]c2c(n1)cc3c(c2CCO)N=C(NC3=O)N; CNc1[
    nH]c2c(CCO)c3N=C(N)NC(=O)c3cc2n1    		 6-amino-4-(2-hydroxyethyl)-2-(methylamino)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
    33241
    PK4
    ZINC000273215815    		 3 C8 H10 F N O2 S InChI=1S/C8H10FNO2S/c1-6-
    4-3-5-7(8(6)9)13(11,12)10
    -2/h3-5,10H,1-2H3;
    PXJRMCHXJXWNJG-UHFFFAOYSA-N    		 Cc1cccc(c1F)S(=O)(=O)NC; CNS(c1c(c(C)ccc
    1)F)(=O)=O; CN[S](=O)(=O)c1cccc(C)c1F    		 2-fluoro-N,3-dimethylbenzene-1-sulfonamide
    33242
    PK5    		 2 C27 H37 Cl N6 O3 InChI=1S/C27H37ClN6O3/c1-
    3-22-24(34-16-19(28)6-9-2
    3(34)30-22)26(36)29-14-18
    -4-7-20(8-5-18)32-12-10-2
    1(11-13-32)33-15-17(2)25(
    35)31-27(33)37/h4-5,7-8,1
    5,19,21-24,30H,3,6,9-14,1
    6H2,1-2H3,(H,29,36)(H,31,
    35,37);
    ZMLCAZKJSUZKPA-UHFFFAOYSA-N    		 CCC1C(N2CC(CCC2N1)Cl)C(=O)NCc3ccc(cc3)N4
    CCC(CC4)N5C=C(C(=O)NC5=O)C; CCC1NC2CCC(C
    l)CN2C1C(=O)NCc3ccc(cc3)N4CCC(CC4)N5C=C(
    C)C(=O)NC5=O    		 2-ethyl-~{N}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide
    33243
    PK6
    ZINC000000249469    		 4 C5 H7 N O2 S2 InChI=1S/C5H7NO2S2/c1-6-1
    0(7,8)5-3-2-4-9-5/h2-4,6H
    ,1H3;
    CTIGHRXLNNYNGU-UHFFFAOYSA-N    		 CNS(=O)(=O)c1cccs1; CN[S](=O)(=O)c1sccc1 N-methyl-2-thiophenesulfonamide
    33244
    PK7
    ZINC000000167020    		 1 C7 H7 Cl F N InChI=1S/C7H7ClFN/c8-6-3-
    5(4-10)1-2-7(6)9/h1-3H,4,
    10H2;
    LQAUXDMGRBWDIU-UHFFFAOYSA-N    		 NCc1ccc(F)c(Cl)c1; C(c1ccc(F)c(c1)Cl)N;
    c1cc(c(cc1CN)Cl)F    		 1-(3-chloro-4-fluorophenyl)methanamine
    33245
    PK8    		 1 C5 H4 N O S Zn InChI=1S/C5H5NOS.Zn/c7-6-
    4-2-1-3-5(6)8;/h1-4,8H;/q
    ;+2/p-1;
    PURMLSMXFJKREH-UHFFFAOYSA-M    		 O1[Zn]Sc2cccc[n+]12; c1cc[n+]2c(c1)S[Zn]
    O2    		 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene
    33246
    PK9
    CHEMBL3814075
    ZINC000121986305    		 2 C17 H27 N3 O3 InChI=1S/C17H27N3O3/c1-17
    (2,3)23-16(22)19-11-6-4-5
    -9-15(21)20-13-14-8-7-10-
    18-12-14/h7-8,10,12H,4-6,
    9,11,13H2,1-3H3,(H,19,22)
    (H,20,21);
    LDXDSDSWWMTDPA-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)NCCCCCC(=O)NCc1cccnc1; O=C
    (OC(C)(C)C)NCCCCCC(=O)NCc1cccnc1    		 tert-butyl {6-oxo-6-[(pyridin-3-ylmethyl)amino]hexyl}carbamate
    33247
    PKA
    CHEMBL416715
    ZINC000003870481    		 4 C21 H21 Cl N2 O InChI=1S/C21H21ClN2O/c1-4
    -14(2)24(3)21(25)19-13-15
    -9-5-6-10-16(15)20(23-19)
    17-11-7-8-12-18(17)22/h5-
    14H,4H2,1-3H3/t14-/m1/s1;
    RAVIZVQZGXBOQO-CQSZACIVSA-N    		 Clc1ccccc1c3nc(cc2c3cccc2)C(=O)N(C(C)CC)
    C; CC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(n1)c
    3ccccc3Cl; CCC(C)N(C)C(=O)c1cc2ccccc2c(n
    1)c3ccccc3Cl; CC[CH](C)N(C)C(=O)c1cc2ccc
    cc2c(n1)c3ccccc3Cl    		 N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide
    33248
    PKB
    CHEMBL188426
    ZINC000013582631    		 1 C20 H17 F3 N6 O2 InChI=1S/C20H17F3N6O2/c1-
    3-31-18-5-4-17-15(11-25-2
    9(17)28-18)16-6-7-24-19(2
    7-16)26-13-8-12(20(21,22)
    23)9-14(10-13)30-2/h4-11H
    ,3H2,1-2H3,(H,24,26,27);
    FXUBIYKZSFWJQZ-UHFFFAOYSA-N    		 CCOc1ccc2c(cnn2n1)c3ccnc(n3)Nc4cc(cc(c4)
    OC)C(F)(F)F; CCOc1ccc2n(ncc2c3ccnc(Nc4cc
    (OC)cc(c4)C(F)(F)F)n3)n1    		 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{N}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
    33249
    PKC
    ZINC000038292779    		 0 C10 H16 N2 O InChI=1S/C10H16N2O/c11-7-
    10(13)9(12)6-8-4-2-1-3-5-
    8/h1-5,9-10,13H,6-7,11-12
    H2/t9-,10+/m0/s1;
    GBGREWJCXCRWFB-VHSXEESVSA-N    		 NC[C@@H](O)[C@@H](N)Cc1ccccc1; c1ccc(cc1
    )CC(C(CN)O)N; c1ccc(cc1)C[C@@H]([C@@H](C
    N)O)N; NC[CH](O)[CH](N)Cc1ccccc1; OC(C(N
    )Cc1ccccc1)CN    		 (2R,3S)-1,3-diamino-4-phenylbutan-2-ol
    33250
    PKD
    ZINC000005894238    		 1 C11 H10 Cl N O3 S InChI=1S/C11H10ClNO3S/c12
    -8-3-1-7(2-4-8)10(14)13-6
    -17-5-9(13)11(15)16/h1-4,
    9H,5-6H2,(H,15,16)/t9-/m1
    /s1;
    SUAAPVQQVPKSHG-SECBINFHSA-N    		 c1cc(ccc1C(=O)N2CSC[C@@H]2C(=O)O)Cl; OC(
    =O)[CH]1CSCN1C(=O)c2ccc(Cl)cc2; C(C1CSCN
    1C(c2ccc(cc2)Cl)=O)(O)=O; c1cc(ccc1C(=O)
    N2CSCC2C(=O)O)Cl; OC(=O)[C@H]1CSCN1C(=O)
    c2ccc(Cl)cc2    		 (4S)-3-(4-chlorobenzene-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
    33251
    PKE    		 2 C20 H21 N7 O3 S InChI=1S/C20H21N7O3S/c1-2
    7(31(2,29)30)19-13(4-3-8-
    21-19)12-23-17-7-9-22-20(
    26-17)24-15-5-6-16-14(10-
    15)11-18(28)25-16/h3-10H,
    11-12H2,1-2H3,(H,25,28)(H
    2,22,23,24,26);
    BTIZXJFJJCRTBP-UHFFFAOYSA-N    		 CN(c1c(cccn1)CNc2ccnc(n2)Nc3ccc4c(c3)CC(
    =O)N4)S(=O)(=O)C; CN(c1ncccc1CNc2ccnc(Nc
    3ccc4NC(=O)Cc4c3)n2)[S](C)(=O)=O    		 ~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
    33252
    PKF
    DB01989    		 1 C36 H52 N6 O9 P InChI=1S/C36H51N6O9P/c1-2
    5(34(45)41-21-12-19-30(41
    )35(46)50-2)40-52(48,49)3
    1(23-26-13-5-3-6-14-26)39
    -32(43)28(17-9-10-20-37)3
    8-33(44)29-18-11-22-42(29
    )36(47)51-24-27-15-7-4-8-
    16-27/h3-8,13-16,25,28-31
    H,9-12,17-24,37H2,1-2H3,(
    H,38,44)(H,39,43)(H2,40,4
    8,49)/p+1/t25-,28-,29-,30
    -,31+/m0/s1;
    JVJRALIDWYDPLY-HEPRJOMSSA-O    		 COC(=O)[CH]1CCCN1C(=O)[CH](C)N[P](O)(=O)
    [CH](Cc2ccccc2)NC(=O)[CH](CCCC[NH3+])NC(
    =O)[CH]3CCCN3C(=O)OCc4ccccc4; C[C@@H](C(
    =O)N1CCC[C@H]1C(=O)OC)N[P@@](=O)([C@H](C
    c2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C
    @@H]3CCCN3C(=O)OCc4ccccc4)O; COC(=O)[C@@
    H]1CCCN1C(=O)[C@H](C)N[P@@](O)(=O)[C@H](
    Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)[
    C@@H]3CCCN3C(=O)OCc4ccccc4; CC(C(=O)N1CC
    CC1C(=O)OC)NP(=O)(C(Cc2ccccc2)NC(=O)C(CC
    CC[NH3+])NC(=O)C3CCCN3C(=O)OCc4ccccc4)O;
    O=C(NC(C(=O)NC(Cc1ccccc1)P(=O)(O)NC(C(=
    O)N2C(C(=O)OC)CCC2)C)CCCC[NH3+])C4N(C(=O
    )OCc3ccccc3)CCC4    		 CARBOBENZOXY-PRO-LYS-PHE-Y(PO2)-ALA-PRO-OME
    33253
    PKG
    CHEMBL4642419    		 1 C28 H28 N4 O3 InChI=1S/C28H28N4O3/c1-3-
    32-25-12-11-23(18(2)27(25
    )29-30-32)24(16-26(33)34)
    21-10-9-19-13-14-31(17-22
    (19)15-21)28(35)20-7-5-4-
    6-8-20/h4-12,15,24H,3,13-
    14,16-17H2,1-2H3,(H,33,34
    )/t24-/m0/s1;
    AUCYBCJRRYAJGN-DEOSSOPVSA-N    		 c12CCN(Cc1cc(cc2)C(c4c(C)c3nnn(c3cc4)CC)
    CC(O)=O)C(=O)c5ccccc5; CCn1c2ccc(c(c2nn1
    )C)[C@@H](CC(=O)O)c3ccc4c(c3)CN(CC4)C(=O
    )c5ccccc5; CCn1c2ccc(c(c2nn1)C)C(CC(=O)O
    )c3ccc4c(c3)CN(CC4)C(=O)c5ccccc5; CCn1nn
    c2c(C)c(ccc12)[CH](CC(O)=O)c3ccc4CCN(Cc4
    c3)C(=O)c5ccccc5; CCn1nnc2c(C)c(ccc12)[C
    @@H](CC(O)=O)c3ccc4CCN(Cc4c3)C(=O)c5cccc
    c5    		 (3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid
    33254
    PKH    		 1 C21 H23 Cl N5 O S InChI=1S/C21H22ClN5OS/c22
    -15-7-12(18-10-24-9-17(25
    -18)11-1-2-11)3-5-14(15)2
    0(28)26-16-8-13-4-6-19(16
    )27(13)21(23)29/h3,5,7,9-
    11,13,16,19H,1-2,4,6,8H2,
    (H3,23,26,28,29)/p+1/t13-
    ,16+,19+/m0/s1;
    KZSNYGBGGXEVJT-URKNILKWSA-O    		 NC(S)=[N+]1[CH]2CC[CH]1[CH](C2)NC(=O)c3c
    cc(cc3Cl)c4cncc(n4)C5CC5; c1cc(c(cc1c2cn
    cc(n2)C3CC3)Cl)C(=O)NC4CC5CCC4[N+]5=C(N)
    S; N\C(S)=[N+]1\[C@H]2CC[C@@H]1[C@@H](C2
    )NC(=O)c3ccc(cc3Cl)c4cncc(n4)C5CC5; N/C(
    S)=[N+]1/C2CC(NC(=O)c3ccc(cc3Cl)c3cncc(n
    3)C3CC3)C1CC2; c1cc(c(cc1c2cncc(n2)C3CC3
    )Cl)C(=O)N[C@@H]4C[C@@H]\5CC[C@H]4/[N+]5
    =C(\N)/S    		 ~{N}-[(1~{R},2~{R},4~{S},7~{E})-7-[azanyl(sulfanyl)methylidene]-7$l^{4}-azabicyclo[2.2.1]heptan-2-yl]-2-chloranyl-4-(6-cyclopropylpyrazin-2-yl)benzamide
    33255
    PKJ
    CHEMBL3342402
    ZINC000000801901    		 2 C20 H16 N4 O3 S2 InChI=1S/C20H16N4O3S2/c1-
    12-2-4-13(5-3-12)15-9-28-
    19-22-23-20(24(15)19)29-1
    0-18(25)21-14-6-7-16-17(8
    -14)27-11-26-16/h2-9H,10-
    11H2,1H3,(H,21,25);
    XYXNYQAJSYUYNZ-UHFFFAOYSA-N    		 Cc1ccc(cc1)c2csc3nnc(SCC(=O)Nc4ccc5OCOc5
    c4)n23; Cc1ccc(cc1)c2csc3n2c(nn3)SCC(=O)
    Nc4ccc5c(c4)OCO5; O=C(Nc2ccc1OCOc1c2)CSc
    3nnc4scc(n34)c5ccc(cc5)C    		 N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide
    33256
    PKK    		 2 C17 H12 I2 O4 InChI=1S/C17H12I2O4/c1-2-
    13-15(10-4-3-9(20)7-14(10
    )23-13)16(21)8-5-11(18)17
    (22)12(19)6-8/h3-7,20,22H
    ,2H2,1H3;
    YOSYHCQGAMQBMM-UHFFFAOYSA-N    		 CCc1oc2cc(O)ccc2c1C(=O)c3cc(I)c(O)c(I)c3
    ; CCc1c(c2ccc(cc2o1)O)C(=O)c3cc(c(c(c3)I
    )O)I    		 [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone
    33257
    PKL
    CHEMBL3342393
    ZINC000098174436    		 2 C21 H18 Cl N3 O S InChI=1S/C21H18ClN3OS/c1-
    14-5-7-16(8-6-14)19-13-27
    -21-24-12-18(25(19)21)20(
    26)23-10-9-15-3-2-4-17(22
    )11-15/h2-8,11-13H,9-10H2
    ,1H3,(H,23,26);
    XLEXBEMTJAGGPY-UHFFFAOYSA-N    		 Clc1cccc(c1)CCNC(=O)c3cnc4scc(c2ccc(cc2)
    C)n34; Cc1ccc(cc1)c2csc3n2c(cn3)C(=O)NCC
    c4cccc(c4)Cl; Cc1ccc(cc1)c2csc3ncc(n23)C
    (=O)NCCc4cccc(Cl)c4    		 N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
    33258
    PKM    		 11 C13 H21 N O10 InChI=1S/C13H21NO10/c1-5(
    16)14-9-8(23-6(2)17)3-13(
    22,12(20)21)24-11(9)10(19
    )7(18)4-15/h7-11,15,18-19
    ,22H,3-4H2,1-2H3,(H,14,16
    )(H,20,21)/t7-,8+,9-,10-,
    11-,13-/m1/s1;
    LVBIMVQYUKOENY-CYBLFPARSA-N    		 CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)OC
    (=O)C; CC(=O)N[CH]1[CH](C[C](O)(O[CH]1[C
    H](O)[CH](O)CO)C(O)=O)OC(C)=O; C(=O)(O)C
    1(O)CC(OC(=O)C)C(C(O1)C(C(O)CO)O)NC(C)=O
    ; CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@
    H]([C@@H](CO)O)O)(C(=O)O)O)OC(=O)C; CC(=
    O)N[C@@H]1[C@H](C[C@@](O)(O[C@H]1[C@H](O
    )[C@H](O)CO)C(O)=O)OC(C)=O    		 4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid;
    4-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid;
    4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulosonic acid;
    4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid;
    4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-galacto-non-2-ulosonic acid
    33259
    PKN
    CHEMBL79155
    ZINC000002570110    		 5 C5 H5 N O2 InChI=1S/C5H5NO2/c7-5(8)4
    -1-2-6-3-4/h1-3,6H,(H,7,8
    );
    DOYOPBSXEIZLRE-UHFFFAOYSA-N    		 c1c[nH]cc1C(=O)O; OC(=O)c1c[nH]cc1; O=C(
    O)c1cc[NH]c1    		 1H-pyrrole-3-carboxylic acid
    33260
    PKP    		 16 C21 H18 Cl N O3 S InChI=1S/C21H18ClNO3S/c1-
    21(2)10-16(24)19(17(25)11
    -21)12-3-6-14(7-4-12)26-2
    0-23-15-8-5-13(22)9-18(15
    )27-20/h3-9,24H,10-11H2,1
    -2H3;
    POUJNUFBEAPAJW-UHFFFAOYSA-N    		 C1C(C)(C)CC(=C(C1=O)c2ccc(cc2)Oc3nc4c(s3
    )cc(cc4)Cl)O; CC1(CC(=C(C(=O)C1)c2ccc(cc
    2)Oc3nc4ccc(cc4s3)Cl)O)C; CC1(C)CC(=C(C(
    =O)C1)c2ccc(Oc3sc4cc(Cl)ccc4n3)cc2)O    		 4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one
    33261
    PKQ
    CHEMBL1767079
    ZINC000038518209    		 2 C17 H12 Br2 O4 InChI=1S/C17H12Br2O4/c1-2
    -13-15(10-4-3-9(20)7-14(1
    0)23-13)16(21)8-5-11(18)1
    7(22)12(19)6-8/h3-7,20,22
    H,2H2,1H3;
    FEXBXMFVRKZOOZ-UHFFFAOYSA-N    		 CCc1oc2cc(O)ccc2c1C(=O)c3cc(Br)c(O)c(Br)
    c3; CCc1c(c2ccc(cc2o1)O)C(=O)c3cc(c(c(c3
    )Br)O)Br    		 [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone
    33262
    PKR    		 0 C6 H11 N O2 InChI=1S/C6H11NO2/c1-7-4-
    2-3-5(7)6(8)9/h5H,2-4H2,1
    H3,(H,8,9)/t5-/m0/s1;
    CWLQUGTUXBXTLF-YFKPBYRVSA-N    		 CN1CCCC1C(=O)O; CN1CCC[C@H]1C(O)=O; O=C(
    O)C1N(C)CCC1; CN1CCC[CH]1C(O)=O; C[N@@]1
    CCC[C@H]1C(=O)O    		 (2S)-1-methylpyrrolidine-2-carbaldehyde
    33263
    PKS
    ZINC000014655970    		 6 C24 H35 N O3 InChI=1S/C24H35NO3/c1-8-1
    8(4)24(27)19(5)14-17(3)11
    -9-10-16(2)12-13-21-20(6)
    22(26)15-23(25-21)28-7/h8
    -9,11-12,14-15,19,24,27H,
    10,13H2,1-7H3,(H,25,26)/b
    11-9+,16-12+,17-14+,18-8+
    /t19-,24+/m1/s1;
    RESCEXRHBPSAAM-HWMDAMIQSA-N    		 CC(C(O)C(C)=[C@H]C)\C=C(\C=C\CC(=[C@H]Cc
    1nc(cc(O)c1C)OC)C)C; C/C=C(\C)/[C@@H]([C
    @H](C)/C=C(\C)/C=C/C/C(=C/Cc1c(c(cc(n1)O
    C)O)C)/C)O; COc1cc(O)c(C)c(CC=C(C)CC=CC(
    C)=C[CH](C)[CH](O)C(C)=CC)n1; COc1cc(O)c
    (C)c(C/C=C(C)/C/C=C/C(C)=C/[C@@H](C)[C@@
    H](O)/C(C)=C/C)n1; CC=C(C)C(C(C)C=C(C)C=
    CCC(=CCc1c(c(cc(n1)OC)O)C)C)O    		 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol
    33264
    PKT
    CHEMBL3814877
    ZINC000263620672    		 1 C25 H32 N4 O3 S InChI=1S/C25H32N4O3S/c1-2
    5(2,3)32-24(31)29-20(13-1
    9-16-27-22-9-5-4-8-21(19)
    22)17-33-12-10-23(30)28-1
    5-18-7-6-11-26-14-18/h4-9
    ,11,14,16,20,27H,10,12-13
    ,15,17H2,1-3H3,(H,28,30)(
    H,29,31)/t20-/m0/s1;
    KSORMZFPXQKUAB-FQEVSTJZSA-N    		 CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)
    CSCCC(=O)NCc3cccnc3; O=C(OC(C)(C)C)NC(CS
    CCC(=O)NCc1cccnc1)Cc3c2ccccc2nc3; CC(C)(
    C)OC(=O)NC(Cc1c[nH]c2c1cccc2)CSCCC(=O)NC
    c3cccnc3; CC(C)(C)OC(=O)N[C@H](CSCCC(=O)
    NCc1cccnc1)Cc2c[nH]c3ccccc23; CC(C)(C)OC
    (=O)N[CH](CSCCC(=O)NCc1cccnc1)Cc2c[nH]c3
    ccccc23    		 tert-butyl [(2S)-1-(1H-indol-3-yl)-3-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)propan-2-yl]carbamate
    33265
    PKU
    CHEMBL4077137
    ZINC000004038467    		 2 C6 H7 Br N2 O InChI=1S/C6H7BrN2O/c1-8-6
    (10)5-2-4(7)3-9-5/h2-3,9H
    ,1H3,(H,8,10);
    HQGRBJIXXLIGLE-UHFFFAOYSA-N    		 CNC(=O)c1[nH]cc(Br)c1; CNC(=O)c1cc(c[nH]
    1)Br    		 4-bromanyl-~{N}-methyl-1~{H}-pyrrole-2-carboxamide
    33266
    PKV    		 4 C11 H16 B N4 O7 P S InChI=1S/C11H16BN4O7PS/c1
    -9-2-4-11(5-3-9)25(21,22)
    13-6-10-7-16(15-14-10)8-1
    2(17)23-24(18,19)20/h2-5,
    7,13,17H,6,8H2,1H3,(H2,18
    ,19,20);
    YPLPGLUGELKLDN-UHFFFAOYSA-N    		 B(Cn1cc(nn1)CNS(=O)(=O)c2ccc(cc2)C)(O)OP
    (=O)(O)O; Cc1ccc(cc1)[S](=O)(=O)NCc2cn(C
    B(O)O[P](O)(O)=O)nn2    		 [4-[[(4-methylphenyl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
    33267
    PKW    		 1 C17 H15 Cl N4 O2 InChI=1S/C17H15ClN4O2/c1-
    22-9-20-13-7-19-8-14(16(1
    3)22)21-17(23)11-4-5-24-1
    5-3-2-10(18)6-12(11)15/h2
    -3,6-9,11H,4-5H2,1H3,(H,2
    1,23)/t11-/m1/s1;
    BKYVVDKZFPPWFC-LLVKDONJSA-N    		 Cn1cnc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c12
    ; Cn1cnc2c1c(cnc2)NC(=O)C3CCOc4c3cc(cc4)
    Cl; Cn1cnc2c1c(cnc2)NC(=O)[C@@H]3CCOc4c3
    cc(cc4)Cl; Cn1cnc2cncc(NC(=O)[CH]3CCOc4c
    cc(Cl)cc34)c12; Cn1cnc2cncc(NC(=O)[C@@H]
    3CCOc4ccc(Cl)cc34)c12    		 (4R)-6-chloro-N-(1-methyl-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    33268
    PKY    		 4 C10 H12 B N4 O6 P InChI=1S/C10H12BN4O6P/c12
    -10(16)8-3-1-2-7(4-8)9-5-
    15(14-13-9)6-11(17)21-22(
    18,19)20/h1-5,17H,6H2,(H2
    ,12,16)(H2,18,19,20);
    FKHVACRDBKDASW-UHFFFAOYSA-N    		 NC(=O)c1cccc(c1)c2cn(CB(O)O[P](O)(O)=O)n
    n2; B(Cn1cc(nn1)c2cccc(c2)C(=O)N)(O)OP(=
    O)(O)O    		 [4-(3-aminocarbonylphenyl)-1,2,3-triazol-1-yl]methyl-phosphonooxy-borinic acid
    33269
    PKZ    		 21 C37 H66 N7 O17 P3 S InChI=1S/C37H66N7O17P3S/c
    1-4-5-6-7-8-9-10-11-12-13
    -14-15-16-17-28(46)65-21-
    20-39-27(45)18-19-40-35(4
    9)32(48)37(2,3)23-58-64(5
    5,56)61-63(53,54)57-22-26
    -31(60-62(50,51)52)30(47)
    36(59-26)44-25-43-29-33(3
    8)41-24-42-34(29)44/h24-2
    6,30-32,36,47-48H,4-23H2,
    1-3H3,(H,39,45)(H,40,49)(
    H,53,54)(H,55,56)(H2,38,4
    1,42)(H2,50,51,52)/t26-,3
    0-,31-,32+,36-/m1/s1;
    MNBKLUUYKPBKDU-BBECNAHFSA-N    		 CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C
    (C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2
    cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCCCCCCCCCC
    CCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)
    COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H](
    [C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O;
    CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C
    H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH
    ]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c
    (N)ncnc23; CCCCCCCCCCCCCCCC(=O)SCCNC(=O)
    CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(=O)O[P](
    O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P]
    (O)(O)=O)n2cnc3c(N)ncnc23; C(CC(SCCNC(CC
    NC(C(C(C)(COP(OP(OCC3C(C(C(n2c1ncnc(c1nc
    2)N)O3)O)OP(O)(O)=O)(=O)O)(O)=O)C)O)=O)=
    O)=O)CCCCCCCCCCCCC    		 Palmitoyl-CoA
    33270
    PL0
    CHEMBL14047
    ZINC000004276940    		 4 C7 H9 N3 InChI=1S/C7H9N3/c8-7(9)10
    -6-4-2-1-3-5-6/h1-5H,(H4,
    8,9,10);
    QRJZGVVKGFIGLI-UHFFFAOYSA-N    		 NC(=N)Nc1ccccc1; [N@H]=C(Nc1ccccc1)N; [H
    ]N=C(N)Nc1ccccc1; [H]/N=C(/N)\Nc1ccccc1    		 1-phenylguanidine
    33271
    PL1    		 0 C48 H68 Co N17 O12 S2 InChI=1S/C48H67N17O10S2.C
    o.H2O2/c1-22-35(62-42(65-
    40(22)51)29(16-33(50)67)5
    7-17-28(49)41(52)70)46(74
    )64-37(39(69)30-18-53-21-
    58-30)47(75)59-25(4)38(68
    )23(2)43(71)63-36(26(5)66
    )45(73)56-15-12-34-60-32(
    20-76-34)48-61-31(19-77-4
    8)44(72)55-14-9-13-54-24(
    3)27-10-7-6-8-11-27;;1-2/
    h6-8,10-11,18-21,23-26,28
    -29,36-39,54,57,66,68-69H
    ,9,12-17,49H2,1-5H3,(H2,5
    0,67)(H2,52,70)(H,53,58)(
    H,55,72)(H,56,73)(H,59,75
    )(H,63,71)(H,64,74)(H2,51
    ,62,65);;1-2H/q;+2;/p-1/t
    23-,24-,25+,26+,28-,29-,3
    6-,37-,38-,39-;;/m0../s1;
    ZRTJCPBCZBKABC-KKVQSTLKSA-M    		 C[CH](O)[CH](NC(=O)[CH](C)[CH](O)[CH](C)
    NC(=O)[CH](NC(=O)c1c(C)c(N)nc([CH](CC(N)
    =O)NC[CH](N)C(N)=O)[n+]1[Co]OO)[CH](O)c2
    c[nH]cn2)C(=O)NCCc3scc(n3)c4scc(n4)C(=O)
    NCCCN[CH](C)c5ccccc5; O=C(N)C(N)CNC(c1nc
    (N)c(c([n+]1[Co]OO)C(=O)NC(C(=O)NC(C)C(O
    )C(C(=O)NC(C(=O)NCCc2nc(cs2)c4nc(C(=O)NC
    CCNC(c3ccccc3)C)cs4)C(O)C)C)C(O)c5ncnc5)
    C)CC(=O)N; Cc1c([n+](c(nc1N)[C@H](CC(=O)
    N)NC[C@@H](C(=O)N)N)[Co]OO)C(=O)N[C@@H](
    [C@H](c2c[nH]cn2)O)C(=O)N[C@H](C)[C@H]([
    C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc
    3nc(cs3)c4nc(cs4)C(=O)NCCCN[C@@H](C)c5cc
    ccc5)O; Cc1c([n+](c(nc1N)C(CC(=O)N)NCC(C
    (=O)N)N)[Co]OO)C(=O)NC(C(c2c[nH]cn2)O)C(
    =O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCc3nc
    (cs3)c4nc(cs4)C(=O)NCCCNC(C)c5ccccc5)O;
    C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[
    C@@H](C)NC(=O)[C@@H](NC(=O)c1c(C)c(N)nc(
    [C@H](CC(N)=O)NC[C@H](N)C(N)=O)[n+]1[Co]
    OO)[C@@H](O)c2c[nH]cn2)C(=O)NCCc3scc(n3)
    c4scc(n4)C(=O)NCCCN[C@@H](C)c5ccccc5    		 COBALT (III)-DEGLYCOPEPLEOMYCIN
    33272
    PL2
    ZINC000016052261    		 14 C13 H24 N5 O5 P InChI=1S/C13H24N5O5P/c1-9
    -12(19)11(7-16-4-2-3-5-17
    -13(14)15)10(6-18-9)8-23-
    24(20,21)22/h6,16,19H,2-5
    ,7-8H2,1H3,(H4,14,15,17)(
    H2,20,21,22);
    SIKJBFNFPRPKQR-UHFFFAOYSA-N    		 [H]/N=C(/N)\NCCCCNCc1c(cnc(c1O)C)COP(=O)
    (O)O; Cc1ncc(CO[P](O)(O)=O)c(CNCCCCNC(N)
    =N)c1O; [H]N=C(N)NCCCCNCc1c(cnc(c1O)C)CO
    P(=O)(O)O; O=P(O)(O)OCc1cnc(c(O)c1CNCCCC
    NC(=[N@H])N)C    		 (4-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
    33273
    PL3
    CHEMBL706
    DB09494
    ZINC000008214519    		 15 C16 H34 O InChI=1S/C16H34O/c1-2-3-4
    -5-6-7-8-9-10-11-12-13-14
    -15-16-17/h17H,2-16H2,1H3;
    BXWNKGSJHAJOGX-UHFFFAOYSA-N    		 OCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCO HEXADECAN-1-OL
    33274
    PL4
    ZINC000058660314    		 4 C15 H24 N3 O9 P InChI=1S/C15H24N3O9P/c1-8
    -13(19)10(9(5-17-8)7-27-2
    8(24,25)26)6-18-12(15(22)
    23)4-2-3-11(16)14(20)21/h
    5,11-12,18-19H,2-4,6-7,16
    H2,1H3,(H,20,21)(H,22,23)
    (H2,24,25,26)/t11-,12-/m0
    /s1;
    AEPLLCAFHXWECU-RYUDHWBXSA-N    		 O=C(O)C(N)CCCC(C(=O)O)NCc1c(cnc(c1O)C)CO
    P(=O)(O)O; Cc1c(c(c(cn1)COP(=O)(O)O)CN[C
    @@H](CCC[C@@H](C(=O)O)N)C(=O)O)O; Cc1c(c
    (c(cn1)COP(=O)(O)O)CNC(CCCC(C(=O)O)N)C(=
    O)O)O; Cc1ncc(CO[P](O)(O)=O)c(CN[C@@H](C
    CC[C@H](N)C(O)=O)C(O)=O)c1O; Cc1ncc(CO[P
    ](O)(O)=O)c(CN[CH](CCC[CH](N)C(O)=O)C(O)
    =O)c1O    		 (2S,6S)-2-amino-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]heptanedioic acid
    33275
    PL5
    ZINC000058650202    		 2 C15 H22 N3 O9 P InChI=1S/C15H22N3O9P/c1-8
    -13(19)10(9(5-17-8)7-27-2
    8(24,25)26)6-18-12(15(22)
    23)4-2-3-11(16)14(20)21/h
    5-6,11-12,19H,2-4,7,16H2,
    1H3,(H,20,21)(H,22,23)(H2
    ,24,25,26)/b18-6+/t11-,12
    -/m0/s1;
    VHNMKXLQZMEZSG-NTQSYZAISA-N    		 O=C(O)C(N)CCCC(/N=C/c1c(cnc(c1O)C)COP(=O
    )(O)O)C(=O)O; Cc1c(c(c(cn1)COP(=O)(O)O)C
    =NC(CCCC(C(=O)O)N)C(=O)O)O; Cc1ncc(CO[P]
    (O)(O)=O)c(C=N[CH](CCC[CH](N)C(O)=O)C(O)
    =O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C
    @@H](CCC[C@@H](C(=O)O)N)C(=O)O)O; Cc1ncc
    (CO[P](O)(O)=O)c(C=N[C@@H](CCC[C@H](N)C(
    O)=O)C(O)=O)c1O    		 (2S,6S)-2-amino-6-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}heptanedioic acid
    33276
    PL6
    ZINC000058651782    		 17 C13 H17 N2 O9 P InChI=1S/C13H17N2O9P/c1-7
    -12(18)9(8(4-14-7)6-24-25
    (21,22)23)5-15-10(13(19)2
    0)2-3-11(16)17/h4-5,10,18
    H,2-3,6H2,1H3,(H,16,17)(H
    ,19,20)(H2,21,22,23)/b15-
    5+/t10-/m0/s1;
    ZZRWFCMLYWHYGX-XSFFOXFNSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=N[C@@H](CCC(O)=
    O)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)C
    =NC(CCC(=O)O)C(=O)O)O; Cc1c(c(c(cn1)COP(
    =O)(O)O)\C=N\[C@@H](CCC(=O)O)C(=O)O)O; O
    =C(O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)CC
    C(=O)O; Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](C
    CC(O)=O)C(O)=O)c1O    		 (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-glutamic acid
    33277
    PL7
    DB08401
    ZINC000053683126    		 1 C16 H18 N2 O9 InChI=1S/C16H18N2O9/c19-1
    3(9-26-10-4-2-1-3-5-10)17
    -12(16(24)25)8-27-18-11(1
    5(22)23)6-7-14(20)21/h1-5
    ,12H,6-9H2,(H,17,19)(H,20
    ,21)(H,22,23)(H,24,25)/b1
    8-11+/t12-/m0/s1;
    LDNKNKRRFZRLIG-HWQJWEFDSA-N    		 OC(=O)CC\C(=N/OC[C@H](NC(=O)COc1ccccc1)C
    (O)=O)C(O)=O; c1ccc(cc1)OCC(=O)NC(CON=C(
    CCC(=O)O)C(=O)O)C(=O)O; c1ccc(cc1)OCC(=O
    )N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O
    ; OC(=O)CCC(=NOC[CH](NC(=O)COc1ccccc1)C(
    O)=O)C(O)=O; O=C(O)CCC(=N\OCC(C(=O)O)NC(
    =O)COc1ccccc1)/C(=O)O    		 (2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYACETYL)AMINO]ETHOXY}IMINO)PENTANEDIOIC ACID;
    PHENYLACETYL LACTIVICIN
    33278
    PL8
    ZINC000098209305    		 4 C16 H22 N3 O7 P InChI=1S/C16H22N3O7P/c1-1
    0-15(21)13(11(7-17-10)9-2
    6-27(23,24)25)8-18-14-5-4
    -12(3-2-6-20)19-16(14)22/
    h4-5,7,18,20-21H,2-3,6,8-
    9H2,1H3,(H,19,22)(H2,23,2
    4,25);
    DNUFYYJENFLUSM-UHFFFAOYSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CC=C(NC2=O
    )CCCO)O; Cc1ncc(CO[P](O)(O)=O)c(CNC2=CC=
    C(CCCO)NC2=O)c1O; O=C2C(NCc1c(cnc(c1O)C)
    COP(=O)(O)O)=CC=C(N2)CCCO    		 [5-hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate
    33279
    PL9    		 0 C53 H80 O2 InChI=1S/C53H80O2/c1-40(2
    )21-13-22-41(3)23-14-24-4
    2(4)25-15-26-43(5)27-16-2
    8-44(6)29-17-30-45(7)31-1
    8-32-46(8)33-19-34-47(9)3
    5-20-36-48(10)37-38-51-39
    -52(54)49(11)50(12)53(51)
    55/h21,23,25,27,29,31,33,
    35,37,39H,13-20,22,24,26,
    28,30,32,34,36,38H2,1-12H
    3;
    FKUYMLZIRPABFK-UHFFFAOYSA-N    		 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC
    CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=CC(=O
    )C(=C(C)C1=O)C; CC1=C(C(=O)C(=CC1=O)CC=C
    (C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C
    (C)CCC=C(C)CCC=C(C)CCC=C(C)C)C; O=C1C(=C
    C(=O)C(=C1C)C)C\C=C(/C)CC\C=C(/C)CC\C=C(
    /C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(
    /C)CC\C=C(/C)CC\C=C(/C)C    		 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE;
    PLASTOQUINONE 9
    33280
    PLA
    ZINC000003870760    		 17 C13 H19 N2 O9 P InChI=1S/C13H19N2O9P/c1-7
    -11(18)9(8(4-14-7)6-24-25
    (21,22)23)5-15-13(2,12(19
    )20)3-10(16)17/h4,15,18H,
    3,5-6H2,1-2H3,(H,16,17)(H
    ,19,20)(H2,21,22,23)/t13-
    /m0/s1;
    ZFKRUCNEKPIDBK-ZDUSSCGKSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(CN[C@@](C)(CC(O)=
    O)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)C
    NC(C)(CC(=O)O)C(=O)O)O; Cc1c(c(c(cn1)COP
    (=O)(O)O)CN[C@@](C)(CC(=O)O)C(=O)O)O; O=
    C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)(C)CC(
    =O)O; Cc1ncc(CO[P](O)(O)=O)c(CN[C](C)(CC
    (O)=O)C(O)=O)c1O    		 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID;
    N-PYRIDOXYL-2-METHYLASPARTIC ACID-5-MONOPHOSPHATE
    33281
    PLB
    CHEMBL1204498
    DB08402
    ZINC000012358153    		 7 C18 H11 Cl2 N3 O4 InChI=1S/C18H11Cl2N3O4/c1
    9-10-2-4-12(14(20)8-10)16
    (24)23-15-5-3-11(9-13(15)
    17(25)26)27-18-21-6-1-7-2
    2-18/h1-9H,(H,23,24)(H,25
    ,26);
    VNDRRWBKNSHALL-UHFFFAOYSA-N    		 OC(=O)c1cc(Oc2ncccn2)ccc1NC(=O)c3ccc(Cl)
    cc3Cl; Clc1ccc(c(Cl)c1)C(=O)Nc3c(C(=O)O)
    cc(Oc2ncccn2)cc3; c1cnc(nc1)Oc2ccc(c(c2)
    C(=O)O)NC(=O)c3ccc(cc3Cl)Cl    		 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID;
    5-(2-PYRIMIDINYLOXY)-2-BENZOYLAMINOBENZOIC ACID
    33282
    PLC
    DB02777
    ZINC000014880487    		 0 C32 H65 N O8 P InChI=1S/C32H64NO8P/c1-6-
    8-10-12-14-16-18-20-22-24
    -31(34)38-28-30(29-40-42(
    36,37)39-27-26-33(3,4)5)4
    1-32(35)25-23-21-19-17-15
    -13-11-9-7-2/h30H,6-29H2,
    1-5H3/p+1/t30-/m1/s1;
    IJFVSSZAOYLHEE-SSEXGKCCSA-O    		 CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N
    +](C)(C)C)OC(=O)CCCCCCCCCCC; O=C(OCC(OC(
    =O)CCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)
    CCCCCCCCCCC; CCCCCCCCCCCC(=O)OC[C@H](CO[
    P@@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC
    CCC; CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N
    +](C)(C)C)OC(=O)CCCCCCCCCCC; CCCCCCCCCCC
    C(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C
    )OC(=O)CCCCCCCCCCC    		 DIUNDECYL PHOSPHATIDYL CHOLINE
    33283
    PLD    		 0 C50 H101 N O8 P InChI=1S/C50H100NO8P/c1-6
    -8-10-12-14-16-18-20-22-2
    4-26-28-30-32-34-36-38-40
    -42-49(52)56-46-48(47-58-
    60(54,55)57-45-44-51(3,4)
    5)59-50(53)43-41-39-37-35
    -33-31-29-27-25-23-21-19-
    17-15-13-11-9-7-2/h48H,6-
    47H2,1-5H3/p+1/t48-/m1/s1;
    QFFSGJSMHPWZOB-QSCHNALKSA-O    		 CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@]
    (=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC
    CCCCCCCC; O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC
    CCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCC
    CCCCCCCCCC; CCCCCCCCCCCCCCCCCCCCC(=O)OCC
    (COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC
    CCCCCCCCCCCC; CCCCCCCCCCCCCCCCCCCCC(=O)O
    C[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)C
    CCCCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCCC
    CC(=O)OC[C@H](CO[P](O)(=O)OCC[N+](C)(C)C
    )OC(=O)CCCCCCCCCCCCCCCCCCCC    		 di-heneicosanoyl phosphatidyl choline
    33284
    PLE    		 0 C5 H14 N O3 P InChI=1S/C5H14NO3P/c1-4(2
    )3-5(6)10(7,8)9/h4-5H,3,6
    H2,1-2H3,(H2,7,8,9)/t5-/m
    1/s1;
    HGCAUCAWEADMPM-RXMQYKEDSA-N    		 CC(C)C[CH](N)[P](O)(O)=O; CC(C)C[C@H](N)
    P(=O)(O)O; CC(C)CC(N)P(=O)(O)O; CC(C)C[C
    @H](N)[P](O)(O)=O; O=P(O)(O)C(N)CC(C)C    		 [(1R)-1-amino-3-methylbutyl]phosphonic acid
    33285
    PLF
    ZINC000098209307    		 0 C9 H14 N4 O2 InChI=1S/C9H14N4O2/c1-6(9
    (14)15)13-5-8(11-12-13)7-
    3-2-4-10-7/h5-7,10H,2-4H2
    ,1H3,(H,14,15)/t6-,7-/m0/
    s1;
    QCMZXGNUTSEEHK-BQBZGAKWSA-N    		 CC(C(=O)O)n1cc(nn1)C2CCCN2; O=C(O)C(n1nn
    c(c1)C2NCCC2)C; C[C@@H](C(=O)O)n1cc(nn1)
    [C@@H]2CCCN2; C[CH](n1cc(nn1)[CH]2CCCN2)
    C(O)=O; C[C@H](n1cc(nn1)[C@@H]2CCCN2)C(O
    )=O    		 2-[5-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID
    33286
    PLG
    DB02824
    ZINC000002046831    		 240 C10 H15 N2 O7 P InChI=1S/C10H15N2O7P/c1-6
    -10(15)8(3-11-4-9(13)14)7
    (2-12-6)5-19-20(16,17)18/
    h2,11,15H,3-5H2,1H3,(H,13
    ,14)(H2,16,17,18);
    FEVQWBMNLWUBTF-UHFFFAOYSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(CNCC(O)=O)c1O; O=
    P(O)(O)OCc1cnc(c(O)c1CNCC(=O)O)C; Cc1c(c
    (c(cn1)COP(=O)(O)O)CNCC(=O)O)O    		 N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE];
    N-PYRIDOXYL-GLYCINE-5-MONOPHOSPHATE
    33287
    PLH
    CHEMBL11306
    DB08403    		 2 C18 H27 N3 O4 InChI=1S/C18H27N3O4/c1-12
    (2)9-14(11-16(22)21-25)17
    (23)20-15(18(24)19-3)10-1
    3-7-5-4-6-8-13/h4-8,12,14
    -15,25H,9-11H2,1-3H3,(H,1
    9,24)(H,20,23)(H,21,22)/t
    14-,15+/m1/s1;
    MOPRTFSMCQNUCT-CABCVRRESA-N    		 CC(C)CC(CC(=O)NO)C(=O)NC(Cc1ccccc1)C(=O)
    NC; CNC(=O)[CH](Cc1ccccc1)NC(=O)[CH](CC(
    C)C)CC(=O)NO; O=C(NO)CC(C(=O)NC(C(=O)NC)
    Cc1ccccc1)CC(C)C; CNC(=O)[C@H](Cc1ccccc1
    )NC(=O)[C@H](CC(C)C)CC(=O)NO; CC(C)C[C@H
    ](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N
    C    		 METHYLAMINO-PHENYLALANYL-LEUCYL-HYDROXAMIC ACID
    33288
    PLI
    ZINC000058638361    		 5 C11 H15 N2 O7 P InChI=1S/C11H15N2O7P/c1-6
    -10(14)9(4-13-7(2)11(15)1
    6)8(3-12-6)5-20-21(17,18)
    19/h3-4,12,14H,5H2,1-2H3,
    (H,15,16)(H2,17,18,19)/b9
    -4-,13-7+;
    ADVVJYVQWSKPQC-ZAQQZXBOSA-N    		 CC1=C(O)C(=CN=C(C)C(O)=O)C(=CN1)CO[P](O)
    (O)=O; CC1=C(C(=CN=C(C)C(=O)O)C(=CN1)COP
    (=O)(O)O)O; CC1=C(/C(=C\N=C(/C)\C(=O)O)/
    C(=CN1)COP(=O)(O)O)O; CC1=C(O)C(=C\N=C(C
    )C(O)=O)/C(=CN1)CO[P](O)(O)=O; O=C(O)/C(
    =N/C=C1\C(O)=C(NC=C1COP(=O)(O)O)C)C    		 (2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4(1H)-YLIDENE}METHYL]IMINO}PROPANOIC ACID
    33289
    PLJ
    ZINC000053151192    		 0 C6 H11 N O2 InChI=1S/C6H11NO2/c1-9-6(
    8)5-3-2-4-7-5/h5,7H,2-4H2
    ,1H3/t5-/m0/s1;
    BLWYXBNNBYXPPL-YFKPBYRVSA-N    		 COC(=O)[CH]1CCCN1; COC(=O)C1CCCN1; COC(=
    O)[C@@H]1CCCN1; O=C(OC)C1NCCC1    		 methyl L-prolinate
    33290
    PLK
    ZINC000098209308    		 5 C15 H25 N2 O7 P InChI=1S/C15H25N2O7P/c1-9
    (2)4-12(5-14(18)19)17-7-1
    3-11(8-24-25(21,22)23)6-1
    6-10(3)15(13)20/h6,9,12,1
    7,20H,4-5,7-8H2,1-3H3,(H,
    18,19)(H2,21,22,23)/t12-/
    m1/s1;
    YMKBKDGGJWGJOL-GFCCVEGCSA-N    		 CC(C)C[C@H](CC(O)=O)NCc1c(O)c(C)ncc1CO[P
    ](O)(O)=O; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(
    CC(C)C)CC(=O)O)O; O=C(O)CC(NCc1c(cnc(c1O
    )C)COP(=O)(O)O)CC(C)C; CC(C)C[CH](CC(O)=
    O)NCc1c(O)c(C)ncc1CO[P](O)(O)=O; Cc1c(c(
    c(cn1)COP(=O)(O)O)CN[C@H](CC(C)C)CC(=O)O
    )O    		 (3R)-3-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]-5-METHYLHEXANOIC ACID;
    R-3-amino-5-methylhexanoicacid-pyridoxal-5p-phosphate
    33291
    PLL    		 33 C3 H5 Pd InChI=1S/C3H5.Pd/c1-3-2;/
    h3H,1-2H2;;
    WTWGCTVOVPTEEU-UHFFFAOYSA-N    		 [Pd].CCC; C1C2[Pd]1C2; [Pd]21CC1C2 Palladium(II) allyl complex
    33292
    PLM
    CHEMBL82293
    DB03796
    ZINC000006072466    		 82 C16 H32 O2 InChI=1S/C16H32O2/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16(17)18/h2-15H2,1H3
    ,(H,17,18);
    IPCSVZSSVZVIGE-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCC(=O)O; O=C(O)CCCCCCCCCCC
    CCCC; CCCCCCCCCCCCCCCC(O)=O    		 PALMITIC ACID
    33293
    PLO
    CHEMBL253363
    DB02789
    ZINC000003861150    		 7 C21 H32 O2 InChI=1S/C21H32O2/c1-13(2
    2)17-6-7-18-16-5-4-14-12-
    15(23)8-10-20(14,2)19(16)
    9-11-21(17,18)3/h4,15-19,
    23H,5-12H2,1-3H3/t15-,16-
    ,17+,18-,19-,20-,21+/m0/s
    1;
    ORNBQBCIOKFOEO-QGVNFLHTSA-N    		 CC(=O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C
    ]4(C)[CH]3CC[C]12C; CC(=O)C1CCC2C1(CCC3C
    2CC=C4C3(CCC(C4)O)C)C; CC(=O)[C@H]1CC[C@
    @H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[
    C@@H](C4)O)C)C; CC(=O)[C@H]1CC[C@H]2[C@@
    H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]
    12C; O=C(C)C2C1(CCC3C(C1CC2)CC=C4C3(CCC(
    O)C4)C)C    		 (3BETA)-3-HYDROXYPREGN-5-EN-20-ONE;
    PREGNENOLONE
    33294
    PLP
    CHEMBL82202
    DB00114
    ZINC000001532514    		 3582 C8 H10 N O6 P InChI=1S/C8H10NO6P/c1-5-8
    (11)7(3-10)6(2-9-5)4-15-1
    6(12,13)14/h2-3,11H,4H2,1
    H3,(H2,12,13,14);
    NGVDGCNFYWLIFO-UHFFFAOYSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O; Cc1c(c(c
    (cn1)COP(=O)(O)O)C=O)O; O=P(O)(O)OCc1cnc
    (c(O)c1C=O)C    		 PYRIDOXAL-5'-PHOSPHATE;
    VITAMIN B6 Phosphate
    33295
    PLQ
    CHEMBL8320
    ZINC000000895247    		 20 C6 H4 O2 InChI=1S/C6H4O2/c7-5-1-2-
    6(8)4-3-5/h1-4H;
    AZQWKYJCGOJGHM-UHFFFAOYSA-N    		 O=C1C=CC(=O)C=C1; C1=CC(=O)C=CC1=O 1,4-benzoquinone;
    cyclohexa-2,5-diene-1,4-dione;
    QUINONE RING OF THE PLASTOQUINONE 9
    33296
    PLR
    CHEMBL1235333
    ZINC000001656021    		 99 C8 H12 N O5 P InChI=1S/C8H12NO5P/c1-5-7
    (4-14-15(11,12)13)3-9-6(2
    )8(5)10/h3,10H,4H2,1-2H3,
    (H2,11,12,13);
    RBCOYOYDYNXAFA-UHFFFAOYSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C)c1O; O=P(O)(O)O
    Cc1cnc(c(O)c1C)C; Cc1c(cnc(c1O)C)COP(=O)
    (O)O    		 (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
    4'-DEOXYPYRIDOXINE PHOSPHATE
    33297
    PLS
    ZINC000002047254    		 72 C11 H17 N2 O8 P InChI=1S/C11H17N2O8P/c1-6
    -10(15)8(3-13-9(4-14)11(1
    6)17)7(2-12-6)5-21-22(18,
    19)20/h2,9,13-15H,3-5H2,1
    H3,(H,16,17)(H2,18,19,20)
    /t9-/m0/s1;
    ODVKKQWXKRZJLG-VIFPVBQESA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CO)C(=O)O)O
    ; Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C
    (=O)O)O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)
    (O)O)CO; Cc1ncc(CO[P](O)(O)=O)c(CN[CH](C
    O)C(O)=O)c1O; Cc1ncc(CO[P](O)(O)=O)c(CN[
    C@@H](CO)C(O)=O)c1O    		 [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE;
    PYRIDOXYL-SERINE-5-MONOPHOSPHATE
    33298
    PLT
    ZINC000038160238    		 4 C19 H20 N3 O7 P InChI=1S/C19H20N3O7P/c1-1
    1-18(23)15(13(8-20-11)10-
    29-30(26,27)28)9-22-17(19
    (24)25)6-12-7-21-16-5-3-2
    -4-14(12)16/h2-5,7-9,17,2
    1,23H,6,10H2,1H3,(H,24,25
    )(H2,26,27,28)/b22-9+/t17
    -/m0/s1;
    MFRRQHVPLFTBMS-NUYDQDRBSA-N    		 O=P(O)(O)OCc1cnc(c(O)c1/C=N/C(C(=O)O)Cc3
    c2ccccc2nc3)C; Cc1c(c(c(cn1)COP(=O)(O)O)
    C=NC(Cc2c[nH]c3c2cccc3)C(=O)O)O; Cc1c(c(
    c(cn1)COP(=O)(O)O)\C=N\[C@@H](Cc2c[nH]c3
    c2cccc3)C(=O)O)O; Cc1ncc(CO[P](O)(O)=O)c
    (C=N[CH](Cc2c[nH]c3ccccc23)C(O)=O)c1O; C
    c1ncc(CO[P](O)(O)=O)c(C=N[C@@H](Cc2c[nH]
    c3ccccc23)C(O)=O)c1O    		 [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-L-TRYPTOPHANE
    33299
    PLU
    CHEMBL40422
    DB02386
    ZINC000002047807    		 6 C5 H14 N O3 P InChI=1S/C5H14NO3P/c1-4(2
    )3-5(6)10(7,8)9/h4-5H,3,6
    H2,1-2H3,(H2,7,8,9)/t5-/m
    1/s1;
    HGCAUCAWEADMPM-RXMQYKEDSA-N    		 CC(C)C[CH](N)[P](O)(O)=O; CC(C)C[C@H](N)
    P(=O)(O)O; CC(C)CC(N)P(=O)(O)O; CC(C)C[C
    @H](N)[P](O)(O)=O; O=P(O)(O)C(N)CC(C)C    		 LEUCINE PHOSPHONIC ACID
    33300
    PLV
    ZINC000002047394    		 4 C12 H19 N2 O8 P InChI=1S/C12H19N2O8P/c1-7
    -11(15)9(4-14-10(6-21-2)1
    2(16)17)8(3-13-7)5-22-23(
    18,19)20/h3,10,14-15H,4-6
    H2,1-2H3,(H,16,17)(H2,18,
    19,20)/t10-/m0/s1;
    DEHSEGNQBACQEW-JTQLQIEISA-N    		 COC[C@H](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C
    (O)=O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O
    )O)COC; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(COC
    )C(=O)O)O; COC[CH](NCc1c(O)c(C)ncc1CO[P]
    (O)(O)=O)C(O)=O; Cc1c(c(c(cn1)COP(=O)(O)
    O)CN[C@@H](COC)C(=O)O)O    		 N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-O-METHYL-L-SERINE;
    PYRIDOXYL-(O-METHYL-SERINE)-5-MONOPHOSPHATE
    33301
    PLW
    ZINC000098209309    		 0 C10 H18 N4 O2 InChI=1S/C10H18N4O2/c1-4-
    6(2)9(11)8-5-12-13-14(8)7
    (3)10(15)16/h5-7,9H,4,11H
    2,1-3H3,(H,15,16)/t6-,7-,
    9-/m0/s1;
    DLMMPFLEEKGBCE-ZKWXMUAHSA-N    		 CCC(C)C(c1cnnn1C(C)C(=O)O)N; CC[C@H](C)[
    C@H](N)c1cnnn1[C@@H](C)C(O)=O; CC[C@H](C
    )[C@@H](c1cnnn1[C@@H](C)C(=O)O)N; O=C(O)
    C(n1nncc1C(N)C(C)CC)C; CC[CH](C)[CH](N)c
    1cnnn1[CH](C)C(O)=O    		 (2S)-2-[5-(1S,2S)-(1-AMINO-2-METHYL-BUTYL)-[1,2,3]TRIAZOL-1-YL]-PROPIONIC ACID
    33302
    PLX
    ZINC000058638459    		 866 C42 H89 N O8 P InChI=1S/C42H88NO8P/c1-6-
    8-10-12-14-16-18-20-21-23
    -25-27-29-31-33-35-42(45)
    51-40(39-50-52(46,47)49-3
    7-36-43(3,4)5)38-48-41(44
    )34-32-30-28-26-24-22-19-
    17-15-13-11-9-7-2/h40-42,
    44-45H,6-39H2,1-5H3/p+1/t
    40-,41+,42+/m1/s1;
    YVNJQRQLQPWVSQ-IWSHAHEXSA-O    		 CCCCCCCCCCCCCCCCC[C@@H](O)O[C@H](CO[C@H]
    (O)CCCCCCCCCCCCCCC)CO[P@@](O)(=O)OCC[N+]
    (C)(C)C; CCCCCCCCCCCCCCCCCC(O)OC(COC(CCC
    CCCCCCCCCCCC)O)COP(=O)(O)OCC[N+](C)(C)C;
    CCCCCCCCCCCCCCCCC[CH](O)O[CH](CO[CH](O)
    CCCCCCCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C
    )C; O=P(OCC(OC(O)CCCCCCCCCCCCCCCCC)COC(O
    )CCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)O; CCCC
    CCCCCCCCCCCCC[C@@H](O)O[C@H](CO[C@@H](CC
    CCCCCCCCCCCCC)O)CO[P@](=O)(O)OCC[N+](C)(
    C)C    		 (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL
    33303
    PLY    		 0 C16 H32 O InChI=1/C16H32O/c1-2-3-4-
    5-6-7-8-9-10-11-12-13-14-
    15-16-17/h16H,2-15H2,1H3;
    NIOYUNMRJMEDGI-UHFFFAOYAM    		 O=CCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC=O PALMITOYL
    33304
    PLZ
    ZINC000013521244    		 14 C12 H19 N2 O7 P InChI=1S/C12H19N2O7P/c1-8
    -12(17)10(6-13-4-2-3-11(1
    5)16)9(5-14-8)7-21-22(18,
    19)20/h5,13,17H,2-4,6-7H2
    ,1H3,(H,15,16)(H2,18,19,2
    0);
    DOHWOHSLOVXAFH-UHFFFAOYSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCC(=O)O)O;
    Cc1ncc(CO[P](O)(O)=O)c(CNCCCC(O)=O)c1O;
    O=P(O)(O)OCc1cnc(c(O)c1CNCCCC(=O)O)C    		 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID
    33305
    PM0    		 1 C53 H72 O24 InChI=1S/C53H72O24/c1-18-
    29(73-34-14-30(43(58)21(4
    )69-34)74-33-13-28(55)42(
    57)20(3)68-33)12-26-10-25
    -11-27-48(67-9)47(62)38(1
    9(2)54)50(64)53(27,51(65)
    40(25)46(61)39(26)41(18)5
    6)77-36-16-32(45(60)23(6)
    71-36)75-35-15-31(44(59)2
    2(5)70-35)76-37-17-52(8,6
    6)49(63)24(7)72-37/h10,12
    ,20-24,27-28,30-37,42-45,
    48-49,55-63,66H,11,13-17H
    2,1-9H3/t20-,21-,22-,23-,
    24-,27+,28-,30-,31-,32-,3
    3+,34+,35+,36+,37+,42-,43
    -,44+,45-,48+,49-,52+,53-
    /m1/s1;
    HCTADUCAPFYREF-OFWAWROCSA-N    		 Cc1c(cc2cc3c(c(c2c1O)O)C(=O)C4(C(C3)C(C(
    =C(C4=O)C(=O)C)O)OC)OC5CC(C(C(O5)C)O)OC6
    CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)(C)O)OC8C
    C(C(C(O8)C)O)OC9CC(C(C(O9)C)O)O; Cc1c(cc
    2cc3c(c(c2c1O)O)C(=O)[C@]4([C@@H](C3)[C@
    @H](C(=C(C4=O)C(=O)C)O)OC)O[C@H]5C[C@H](
    [C@@H]([C@H](O5)C)O)O[C@H]6C[C@H]([C@H](
    [C@H](O6)C)O)O[C@H]7C[C@]([C@@H]([C@H](O
    7)C)O)(C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8
    )C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O
    ; CO[CH]1[CH]2Cc3cc4cc(O[CH]5C[CH](O[CH]
    6C[CH](O)[CH](O)[CH](C)O6)[CH](O)[CH](C)
    O5)c(C)c(O)c4c(O)c3C(=O)[C]2(O[CH]7C[CH]
    (O[CH]8C[CH](O[CH]9C[C](C)(O)[CH](O)[CH]
    (C)O9)[CH](O)[CH](C)O8)[CH](O)[CH](C)O7)
    C(=O)C(=C1O)C(C)=O; CO[C@H]1[C@@H]2Cc3cc
    4cc(O[C@H]5C[C@@H](O[C@H]6C[C@@H](O)[C@H
    ](O)[C@@H](C)O6)[C@H](O)[C@@H](C)O5)c(C)
    c(O)c4c(O)c3C(=O)[C@]2(O[C@H]7C[C@@H](O[
    C@H]8C[C@@H](O[C@H]9C[C@](C)(O)[C@H](O)[
    C@@H](C)O9)[C@@H](O)[C@@H](C)O8)[C@H](O)
    [C@@H](C)O7)C(=O)C(=C1O)C(C)=O; O=C8c4c(
    cc3cc(OC2OC(C)C(O)C(OC1OC(C)C(O)C(O)C1)C
    2)c(c(O)c3c4O)C)CC9C8(OC7OC(C(O)C(OC6OC(
    C)C(O)C(OC5OC(C)C(O)C(O)(C)C5)C6)C7)C)C(
    =O)C(C(=O)C)=C(O)C9OC    		 premithramycin B;
    (1S,4aS,12aS)-3-acetyl-9-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy} -2,6,7-trihydroxy-1-methoxy-8-methyl-4,5-dioxo-1,5,12,12a-tetrahydrotetracen-4a(4H)-yl 2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D- arabino-hexopyranoside
    33306
    PM1
    CHEMBL189607
    DB04006    		 1 C21 H13 F2 N3 O2 InChI=1S/C21H13F2N3O2/c22
    -14-7-4-8-15(23)17(14)19(
    27)13-9-10-16-25-21(24)18
    (26(16)11-13)20(28)12-5-2
    -1-3-6-12/h1-11H,24H2;
    WUGJIPFLBOATGL-UHFFFAOYSA-N    		 Fc1cccc(F)c1C(=O)c2ccc3nc(c(n3c2)C(=O)c4
    ccccc4)N; c1ccc(cc1)C(=O)c2c(nc3n2cc(cc3
    )C(=O)c4c(cccc4F)F)N; Nc1nc2ccc(cn2c1C(=
    O)c3ccccc3)C(=O)c4c(F)cccc4F    		 [2-AMINO-6-(2,6-DIFLUORO-BENZOYL)-IMIDAZO[1,2-A]PYRIDIN-3-YL]-PHENYL-METHANONE
    33307
    PM2
    DB04764
    ZINC000012080875    		 6 C26 H29 N3 O InChI=1S/C26H29N3O/c27-17
    -21-7-4-8-24(15-21)23-11-
    13-29(14-12-23)26(30)25-1
    6-22(18-28-19-25)10-9-20-
    5-2-1-3-6-20/h1-8,15-16,1
    8-19,23H,9-14,17,27H2;
    CCLHROFBSWWOQO-UHFFFAOYSA-N    		 O=C(c1cc(cnc1)CCc2ccccc2)N4CCC(c3cccc(c3
    )CN)CC4; c1ccc(cc1)CCc2cc(cnc2)C(=O)N3CC
    C(CC3)c4cccc(c4)CN; NCc1cccc(c1)C2CCN(CC
    2)C(=O)c3cncc(CCc4ccccc4)c3    		 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE;
    [4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE
    33308
    PM3
    ZINC000001550959    		 0 C10 H14 N O5 P InChI=1S/C10H14NO5P/c11-9
    (10(12)13)5-7-1-3-8(4-2-7
    )6-17(14,15)16/h1-4,9H,5-
    6,11H2,(H,12,13)(H2,14,15
    ,16)/t9-/m0/s1;
    SAQLLHDEEMZENJ-VIFPVBQESA-N    		 O=C(O)C(N)Cc1ccc(cc1)CP(=O)(O)O; c1cc(cc
    c1CC(C(=O)O)N)CP(=O)(O)O; c1cc(ccc1C[C@@
    H](C(=O)O)N)CP(=O)(O)O; N[CH](Cc1ccc(C[P
    ](O)(O)=O)cc1)C(O)=O; N[C@@H](Cc1ccc(C[P
    ](O)(O)=O)cc1)C(O)=O    		 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-PROPIONIC ACID
    33309
    PM4
    DB08404
    ZINC000053683128    		 2 C17 H33 N2 O7 P S InChI=1S/C17H33N2O7PS/c1-
    4-5-6-7-14(21)28-11-10-18
    -13(20)8-9-19-16(23)15(22
    )17(2,3)12-26-27(24)25/h1
    5,22,27H,4-12H2,1-3H3,(H,
    18,20)(H,19,23)(H,24,25)/
    t15-/m0/s1;
    RXYQLYCKZTXHTF-HNNXBMFYSA-N    		 CCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(
    =O)O)O; CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H
    ](C(C)(C)CO[P@H](=O)O)O; CCCCCC(=O)SCCNC
    (=O)CCNC(=O)[C@H](O)C(C)(C)CO[PH](O)=O;
    CCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C
    )CO[PH](O)=O; O=C(SCCNC(=O)CCNC(=O)C(O)C
    (C)(C)COP(=O)O)CCCCC    		 S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEXANETHIOATE
    33310
    PM5
    DB08405
    ZINC000053683133    		 2 C18 H35 N2 O7 P S InChI=1S/C18H35N2O7PS/c1-
    4-5-6-7-8-15(22)29-12-11-
    19-14(21)9-10-20-17(24)16
    (23)18(2,3)13-27-28(25)26
    /h16,23,28H,4-13H2,1-3H3,
    (H,19,21)(H,20,24)(H,25,2
    6)/t16-/m0/s1;
    IPSBILXXAVXCDA-INIZCTEOSA-N    		 CCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP
    (=O)O)O; CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@
    @H](C(C)(C)CO[P@H](=O)O)O; O=C(SCCNC(=O)
    CCNC(=O)C(O)C(C)(C)COP(=O)O)CCCCCC; CCCC
    CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)C
    O[PH](O)=O; CCCCCCC(=O)SCCNC(=O)CCNC(=O)
    [CH](O)C(C)(C)CO[PH](O)=O    		 S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEPTANETHIOATE
    33311
    PM6
    CHEMBL1425
    DB01033
    ZINC000004658290    		 6 C5 H4 N4 S InChI=1S/C5H4N4S/c10-5-3-
    4(7-1-6-3)8-2-9-5/h1-2H,(
    H2,6,7,8,9,10);
    GLVAUDGFNGKCSF-UHFFFAOYSA-N    		 c1[nH]c2c(n1)c(ncn2)S; Sc1ncnc2[nH]cnc12
    ; n2c1c(ncn1)c(nc2)S    		 9H-purine-6-thiol;
    6-Mercaptopurine
    33312
    PM7
    CHEMBL461324
    ZINC000040392159    		 14 C21 H25 N3 O InChI=1S/C21H25N3O/c1-19(
    2)16-11-21-8-5-9-24(21)12
    -20(16,23-18(21)25)10-14-
    13-6-3-4-7-15(13)22-17(14
    )19/h3-4,6-7,16,22H,5,8-1
    2H2,1-2H3,(H,23,25)/t16-,
    20+,21-/m0/s1;
    LBTZXCFDJFHPMI-DQLDELGASA-N    		 CC1(C)[C@@H]2C[C@]34CCCN3C[C@@]2(Cc5c1[n
    H]c6ccccc56)NC4=O; N2C(=O)C61CCCN1CC23C(
    C(c5c(C3)c4c(cccc4)n5)(C)C)C6; CC1(C)[CH
    ]2C[C]34CCCN3C[C]2(Cc5c1[nH]c6ccccc56)NC
    4=O; CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1
    C[C@@]6(CCCN6C4)C(=O)N5)C; CC1(c2c(c3ccc
    cc3[nH]2)CC45C1CC6(CCCN6C4)C(=O)N5)C    		 (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one;
    premalbrancheamide E
    33313
    PM8
    ZINC000058660945    		 15 C21 H41 N2 O7 P S InChI=1S/C21H41N2O7PS/c1-
    4-5-6-7-8-9-10-11-18(25)3
    2-15-14-22-17(24)12-13-23
    -20(27)19(26)21(2,3)16-30
    -31(28)29/h19,26,31H,4-16
    H2,1-3H3,(H,22,24)(H,23,2
    7)(H,28,29)/t19-/m0/s1;
    BPRKYNVKIAROET-IBGZPJMESA-N    		 CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C
    (C)(C)CO[PH](O)=O; O=C(SCCNC(=O)CCNC(=O)
    C(O)C(C)(C)COP(=O)O)CCCCCCCCC; CCCCCCCCC
    C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)O)
    O; CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H]
    (C(C)(C)CO[P@H](=O)O)O; CCCCCCCCCC(=O)SC
    CNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[PH](O)=O    		 S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) DECANETHIOATE
    33314
    PM9
    ZINC000058638491    		 2 C13 H19 N2 O7 P S InChI=1S/C13H19N2O7PS/c1-
    8-12(16)10(6-15-11(13(17)
    18)3-4-24-2)9(5-14-8)7-22
    -23(19,20)21/h5-6,14,16H,
    3-4,7H2,1-2H3,(H,17,18)(H
    2,19,20,21)/b10-6-,15-11+;
    UNHRYMFMFMQCNK-JNVWRRHBSA-N    		 CC1=C(/C(=C\N=C(/CCSC)\C(=O)O)/C(=CN1)CO
    P(=O)(O)O)O; CSCCC(=NC=C1C(=C(C)NC=C1CO[
    P](O)(O)=O)O)C(O)=O; CC1=C(C(=CN=C(CCSC)
    C(=O)O)C(=CN1)COP(=O)(O)O)O; CSCCC(=N\C=
    C1/C(=C(C)NC=C1CO[P](O)(O)=O)O)C(O)=O; O
    =C(O)/C(=N/C=C1\C(O)=C(NC=C1COP(=O)(O)O)
    C)CCSC    		 (2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4(1H)-YLIDENE}METHYL]IMINO}-4-(METHYLSULFANYL)BUTANOIC ACID
    33315
    PMA
    CHEMBL1235346
    DB02749
    ZINC000000391925    		 2 C10 H6 O8 InChI=1S/C10H6O8/c11-7(12
    )3-1-4(8(13)14)6(10(17)18
    )2-5(3)9(15)16/h1-2H,(H,1
    1,12)(H,13,14)(H,15,16)(H
    ,17,18);
    CYIDZMCFTVVTJO-UHFFFAOYSA-N    		 OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(O)=O; O=
    C(O)c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O; c1c(
    c(cc(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O    		 PYROMELLITIC ACID
    33316
    PMB
    DB02983    		 14 C6 H5 Hg O3 S InChI=1S/C6H5O3S.Hg/c7-10
    (8,9)6-4-2-1-3-5-6;/h2-5H
    ,(H,7,8,9);;
    KQAOIKIZSJJTII-UHFFFAOYSA-N    		 c1cc(ccc1S(=O)(=O)O)[Hg]; O[S](=O)(=O)c1
    ccc([Hg])cc1; [Hg]c1ccc(cc1)S(=O)(=O)O    		 PARA-MERCURY-BENZENESULFONIC ACID
    33317
    PMC
    CHEMBL354773
    DB04406    		 24 C7 H8 N O5 P InChI=1S/C7H8NO5P/c9-7(10
    )6-5(2-1-3-8-6)4-14(11,12
    )13/h1-3H,4H2,(H,9,10)(H2
    ,11,12,13);
    ROSWJUKEABEPFJ-UHFFFAOYSA-N    		 OC(=O)c1ncccc1C[P](O)(O)=O; O=C(O)c1nccc
    c1CP(=O)(O)O; c1cc(c(nc1)C(=O)O)CP(=O)(O
    )O    		 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID
    33318
    PMD
    CHEMBL301769
    DB08406
    ZINC000002043425    		 1 C21 H17 N7 InChI=1S/C21H17N7/c22-19-
    18-20(27-21(23)26-19)24-1
    1-15(25-18)12-28-16-7-3-1
    -5-13(16)9-10-14-6-2-4-8-
    17(14)28/h1-11H,12H2,(H4,
    22,23,24,26,27);
    NXCCIJQEAKMFGW-UHFFFAOYSA-N    		 n1cc(nc2c1nc(nc2N)N)CN5c3ccccc3C=Cc4c5cc
    cc4; c1ccc2c(c1)C=Cc3ccccc3N2Cc4cnc5c(n4
    )c(nc(n5)N)N; Nc1nc(N)c2nc(CN3c4ccccc4C=
    Cc5ccccc35)cnc2n1    		 [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE
    33319
    PME
    CHEMBL171679
    DB00168
    ZINC000001532132    		 4 C14 H18 N2 O5 InChI=1S/C14H18N2O5/c1-21
    -14(20)11(7-9-5-3-2-4-6-9
    )16-13(19)10(15)8-12(17)1
    8/h2-6,10-11H,7-8,15H2,1H
    3,(H,16,19)(H,17,18)/t10-
    ,11-/m0/s1;
    IAOZJIPTCAWIRG-QWRGUYRKSA-N    		 COC(=O)[CH](Cc1ccccc1)NC(=O)[CH](N)CC(O)
    =O; COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](
    N)CC(O)=O; COC(=O)C(Cc1ccccc1)NC(=O)C(CC
    (=O)O)N; O=C(O)CC(N)C(=O)NC(C(=O)OC)Cc1c
    cccc1; COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H
    ](CC(=O)O)N    		 N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-METHYL ESTER;
    ASPARTAME
    33320
    PMF
    CHEMBL190503
    ZINC000008220691    		 3 C7 H7 F O2 S InChI=1S/C7H7FO2S/c8-11(9
    ,10)6-7-4-2-1-3-5-7/h1-5H
    ,6H2;
    YBYRMVIVWMBXKQ-UHFFFAOYSA-N    		 c1ccc(cc1)CS(=O)(=O)F; FS(=O)(=O)Cc1cccc
    c1    		 PHENYLMETHYLSULFONYL FLUORIDE;
    PMSF
    33321
    PMG
    DB04765
    ZINC000012504501    		 4 C14 H21 N2 O9 P InChI=1S/C14H21N2O9P/c1-8
    -12(19)10(9(5-15-8)7-25-2
    6(22,23)24)6-16-14(2,13(2
    0)21)4-3-11(17)18/h5,16,1
    9H,3-4,6-7H2,1-2H3,(H,17,
    18)(H,20,21)(H2,22,23,24)
    /t14-/m0/s1;
    CNIVMJHNGQZEAY-AWEZNQCLSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(CN[C@@](C)(CCC(O)
    =O)C(O)=O)c1O; Cc1ncc(CO[P](O)(O)=O)c(CN
    [C](C)(CCC(O)=O)C(O)=O)c1O; Cc1c(c(c(cn1
    )COP(=O)(O)O)CN[C@@](C)(CCC(=O)O)C(=O)O)
    O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)(
    C)CCC(=O)O; Cc1c(c(c(cn1)COP(=O)(O)O)CNC
    (C)(CCC(=O)O)C(=O)O)O    		 N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-2-METHYL-L-GLUTAMIC ACID;
    N-PYRIDOXYL-2-METHYL-L-GLUTAMIC ACID-5'-MONOPHOSPHATE
    33322
    PMH
    DB03097
    ZINC000002046808    		 8 C11 H14 N3 O7 P InChI=1S/C11H14N3O7P/c1-6
    -10(15)8(3-13-9-5-20-14-1
    1(9)16)7(2-12-6)4-21-22(1
    7,18)19/h2,5,13,15H,3-4H2
    ,1H3,(H,14,16)(H2,17,18,1
    9);
    PXWFNGNWQUPGPJ-UHFFFAOYSA-N    		 O=P(O)(O)OCc1c(c(O)c(nc1)C)CNc2conc2O; C
    c1c(c(c(cn1)COP(=O)(O)O)CNc2conc2O)O; Cc
    1ncc(CO[P](O)(O)=O)c(CNc2conc2O)c1O    		 (5-HYDROXY-4-{[(3-HYDROXYISOXAZOL-4-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
    PMP-HYDROXYISOXAZOLE;
    PYRIDOXAMINE-5-PHOSPHATE-HYDROXYISOXAZOLE
    33323
    PMI
    ZINC000013525586    		 16 C9 H12 N O3 P InChI=1S/C9H12NO3P/c10-9(
    14(11,12)13)5-7-3-1-2-4-8
    (7)6-9/h1-4H,5-6,10H2,(H2
    ,11,12,13);
    YJFRDRWPYDVEIH-UHFFFAOYSA-N    		 NC1(Cc2ccccc2C1)[P](O)(O)=O; O=P(O)(O)C2
    (N)Cc1ccccc1C2; c1ccc2c(c1)CC(C2)(N)P(=O
    )(O)O    		 (2-AMINO-2,3-DIHYDRO-1H-INDEN-2-YL)PHOSPHONIC ACID;
    2-AMINOINDAN-2-PHOSPHONIC ACID
    33324
    PMJ
    CHEMBL1809211
    ZINC000003925356    		 4 C23 H32 N8 O4 S InChI=1S/C23H32N8O4S/c24-
    21(25)18-10-8-16(9-11-18)
    13-29-20(32)14-30-22(33)1
    9(7-4-12-28-23(26)27)31-3
    6(34,35)15-17-5-2-1-3-6-1
    7/h1-3,5-6,8-11,19,31H,4,
    7,12-15H2,(H3,24,25)(H,29
    ,32)(H,30,33)(H4,26,27,28
    )/t19-/m1/s1;
    MVMUALCRWZYTQR-LJQANCHMSA-N    		 NC(=N)NCCC[C@@H](N[S](=O)(=O)Cc1ccccc1)C
    (=O)NCC(=O)NCc2ccc(cc2)C(N)=N; c1ccc(cc1
    )CS(=O)(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NCc
    2ccc(cc2)C(=N)N; NC(=N)NCCC[CH](N[S](=O)
    (=O)Cc1ccccc1)C(=O)NCC(=O)NCc2ccc(cc2)C(
    N)=N; [H]/N=C(/c1ccc(cc1)CNC(=O)CNC(=O)[
    C@@H](CCCN/C(=N/[H])/N)NS(=O)(=O)Cc2cccc
    c2)\\N; O=S(=O)(NC(C(=O)NCC(=O)NCc1ccc(C
    (=[N@H])N)cc1)CCCNC(=[N@H])N)Cc2ccccc2    		 N~2~-(benzylsulfonyl)-D-arginyl-N-(4-carbamimidoylbenzyl)glycinamide
    33325
    PMK
    ZINC000213029846    		 1 C32 H67 O4 P InChI=1S/C32H67O4P/c1-7-8
    -9-10-11-17-28(2)18-12-19
    -29(3)20-13-21-30(4)22-14
    -23-31(5)24-15-25-32(6)26
    -16-27-36-37(33,34)35/h28
    -32H,7-27H2,1-6H3,(H2,33,
    34,35)/t28-,29+,30+,31+,3
    2-/m1/s1;
    WLNOCCJMGSEDAT-GCIGRYLYSA-N    		 CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C
    CCOP(=O)(O)O; O=P(OCCCC(CCCC(C)CCCC(C)CC
    CC(C)CCCC(C)CCCCCCC)C)(O)O; CCCCCCC[CH](
    C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](
    C)CCCO[P](O)(O)=O; CCCCCCC[C@@H](C)CCC[C
    @H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)
    CCCOP(=O)(O)O; CCCCCCC[C@@H](C)CCC[C@H](
    C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCO
    [P](O)(O)=O    		 (4R,8S,16S,20R)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate
    33326
    PML
    CHEMBL1235351
    DB01856
    ZINC000001529489    		 11 C7 H12 O4 InChI=1S/C7H12O4/c8-6(9)4
    -2-1-3-5-7(10)11/h1-5H2,(
    H,8,9)(H,10,11);
    WLJVNTCWHIRURA-UHFFFAOYSA-N    		 OC(=O)CCCCCC(O)=O; O=C(O)CCCCCC(=O)O; C(
    CCC(=O)O)CCC(=O)O    		 PIMELIC ACID
    33327
    PMM
    CHEMBL1159902
    DB03592
    ZINC000005973848    		 9 C7 H8 N5 O5 P InChI=1S/C7H8N5O5P/c8-7-1
    1-5-4(6(13)12-7)10-3(1-9-
    5)2-17-18(14,15)16/h1H,2H
    2,(H2,14,15,16)(H3,8,9,11
    ,12,13);
    AJXFJEHKGGCFNM-UHFFFAOYSA-N    		 NC1=Nc2ncc(CO[P](O)(O)=O)nc2C(=O)N1; c1c
    (nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O; O=P(O)
    (O)OCc1nc2C(=O)NC(=Nc2nc1)N    		 PTERIN-6-YL-METHYL-MONOPHOSPHATE
    33328
    PMN
    CHEMBL411278
    DB08407
    ZINC000029050726    		 4 C24 H27 N O7 InChI=1S/C24H27NO7/c1-22(
    7-6-17(28)25-18-14(26)4-3
    -13(19(18)29)21(30)31)16(
    27)5-8-24-10-12-9-15(20(2
    2)24)32-23(12,2)11-24/h3-
    5,8,12,15,20,26,29H,6-7,9
    -11H2,1-2H3,(H,25,28)(H,3
    0,31)/t12-,15+,20+,22-,23
    +,24+/m1/s1;
    CSOMAHTTWTVBFL-OFBLZTNGSA-N    		 C[C]12C[C]34C[CH]1C[CH](O2)[CH]3[C](C)(C
    CC(=O)Nc5c(O)ccc(C(O)=O)c5O)C(=O)C=C4; C
    [C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C
    (=O)C=C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O
    )O2; CC12CC34CC1CC(C3C(C(=O)C=C4)(C)CCC(
    =O)Nc5c(ccc(c5O)C(=O)O)O)O2; O=C(O)c1c(O
    )c(c(O)cc1)NC(=O)CCC4(C(=O)C=CC53CC2(OC(
    CC2C3)C45)C)C; C[C@]12C[C@]34C[C@H]1C[C@
    H](O2)[C@H]3[C@](C)(CCC(=O)Nc5c(O)ccc(C(
    O)=O)c5O)C(=O)C=C4    		 PLATENSIMYCIN
    33329
    PMO
    DB04176
    ZINC000005889652    		 1 C13 H17 N2 O8 P InChI=1S/C13H17N2O8P/c1-2
    1-7-2-3-9-8(4-7)14-6-15(9
    )13-12(17)11(16)10(23-13)
    5-22-24(18,19)20/h2-4,6,1
    0-13,16-17H,5H2,1H3,(H2,1
    8,19,20)/t10-,11-,12-,13+
    /m1/s1;
    VYUPJUKSTVHSQI-LPWJVIDDSA-N    		 O=P(O)(O)OCC3OC(n2cnc1cc(OC)ccc12)C(O)C3
    O; COc1ccc2c(c1)ncn2C3C(C(C(O3)COP(=O)(O
    )O)O)O; COc1ccc2n(cnc2c1)[CH]3O[CH](CO[P
    ](O)(O)=O)[CH](O)[CH]3O; COc1ccc2c(c1)nc
    n2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(
    O)O)O)O; COc1ccc2n(cnc2c1)[C@H]3O[C@H](C
    O[P](O)(O)=O)[C@@H](O)[C@H]3O    		 N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-METHOXYBENZIMIDAZOLE;
    PHOSPORIC ACID MONO-[3,4-DIHYDROXY-5-(5-METHOXY-BENZOIMIDAZOL-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER
    33330
    PMP
    CHEMBL1235353
    DB02142
    ZINC000001532708    		 318 C8 H13 N2 O5 P InChI=1S/C8H13N2O5P/c1-5-
    8(11)7(2-9)6(3-10-5)4-15-
    16(12,13)14/h3,11H,2,4,9H
    2,1H3,(H2,12,13,14);
    ZMJGSOSNSPKHNH-UHFFFAOYSA-N    		 O=P(O)(O)OCc1cnc(c(O)c1CN)C; Cc1c(c(c(cn
    1)COP(=O)(O)O)CN)O; Cc1ncc(CO[P](O)(O)=O
    )c(CN)c1O    		 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
    PYRIDOXAMINE-5'-PHOSPHATE
    33331
    PMQ
    ZINC000011535717    		 2 C8 H9 N O2 InChI=1S/C8H9NO2/c10-8(11
    )9-6-7-4-2-1-3-5-7/h1-5,9
    H,6H2,(H,10,11);
    RRIWSQXXBIFKQM-UHFFFAOYSA-N    		 OC(=O)NCc1ccccc1; c1ccc(cc1)CNC(=O)O; O=
    C(O)NCc1ccccc1    		 benzylcarbamic acid
    33332
    PMR    		 54 C35 H32 Mg N4 O5 InChI=1S/C35H34N4O5.Mg/c1
    -8-19-15(3)22-12-24-17(5)
    21(10-11-28(40)41)32(38-2
    4)30-31(35(43)44-7)34(42)
    29-18(6)25(39-33(29)30)14
    -27-20(9-2)16(4)23(37-27)
    13-26(19)36-22;/h8,12-14,
    31H,1,9-11H2,2-7H3,(H3,36
    ,37,38,39,40,41,42);/q;+4
    /p-2/b22-12-,23-13-,24-12
    -,25-14-,26-13-,27-14-,32
    -30-;/t31-;/m1./s1;
    ZHFORNQMLKGQNN-KKNVGXODSA-L    		 CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8
    c(c9[n+]6c(c4)C(=C9CCC(=O)O)C)C(C(=O)c8c
    7C)C(=O)OC)C)C=C)C; CCC1=C(c2cc3c(c(c4n3
    [Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(=C9C
    CC(=O)O)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C
    )C; CCC1=C(C)C2=[N+]3C1=Cc4n5c6C(=C7C(=C
    (C)C8=[N+]7[Mg]35[N]9C(=C8)C(=C(C=C)C9=C
    2)C)CCC(O)=O)[CH](C(=O)OC)C(=O)c6c4C; CC
    C1=C(C)C2=[N@+]3C1=Cc4n5c6C(=C7C(=C(C)C8
    =[N@+]7[Mg]35[N@]9C(=C8)C(=C(C=C)C9=C2)C
    )CCC(O)=O)[C@@H](C(=O)OC)C(=O)c6c4C    		 Protochlorophyllide
    33333
    PMS
    CHEMBL1171433
    DB03297
    ZINC000001593155    		 0 C7 H8 O3 S InChI=1S/C7H8O3S/c8-11(9,
    10)6-7-4-2-1-3-5-7/h1-5H,
    6H2,(H,8,9,10);
    NIXKBAZVOQAHGC-UHFFFAOYSA-N    		 c1ccc(cc1)CS(=O)(=O)O; O=S(=O)(O)Cc1cccc
    c1; O[S](=O)(=O)Cc1ccccc1    		 phenylmethanesulfonic acid
    33334
    PMT
    ZINC000016051552    		 5 C18 H30 N4 O15 P2 InChI=1S/C18H30N4O15P2/c1
    -18(2,8-35-38(29,30)31)14
    (26)15(27)20-5-3-11(23)37
    -39(32,33)34-7-9-12(24)13
    (25)16(36-9)22-6-4-10(19)
    21-17(22)28/h4,6,9,12-14,
    16,24-26H,3,5,7-8H2,1-2H3
    ,(H,20,27)(H,32,33)(H2,19
    ,21,28)(H2,29,30,31)/t9-,
    12-,13-,14+,16-/m1/s1;
    JURRMAHLXBVXRF-FIEZRUJPSA-N    		 CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)
    O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2
    C=CC(=NC2=O)N; CC(C)(COP(=O)(O)O)[C@H](C
    (=O)NCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H](
    [C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O; C
    C(C)(CO[P](O)(O)=O)[C@@H](O)C(=O)NCCC(=O
    )O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@
    H]1O)N2C=CC(=NC2=O)N; O=P(O)(O)OCC(C)(C)
    C(O)C(=O)NCCC(=O)OP(=O)(O)OCC2OC(N1C(=O)
    N=C(N)C=C1)C(O)C2O; CC(C)(COP(=O)(O)O)C(
    C(=O)NCCC(=O)OP(=O)(O)OCC1C(C(C(O1)N2C=C
    C(=NC2=O)N)O)O)O    		 PHOSPHORIC ACID MONO-[3-(3-{[5-(4-AMINO-2-OXO-2H-PYRIMIDIN-1-YL)-3,4- DIHYDROXY-TETRAHYDRO-FURAN-2- YLMETHOXY]-HYDROXY-PHOSPHORYLOXY}-3-OXO-PROPYLCARBAMOYL)-3-HYDROXY-2,2- DIMETHYL-PROPYL] ESTER;
    4'-PHOSPHOPANTOTHENOYL- CYTIDINE-5'-MONOPHOSPHATE
    33335
    PMU
    CHEMBL1800452
    ZINC000072109034    		 1 C17 H22 N4 O3 InChI=1S/C17H22N4O3/c1-9(
    2)12-6-13(20-17(18)19-12)
    11-5-10(3-4-14(11)22)21-7
    -15(23)16(24)8-21/h3-6,9,
    15-16,22-24H,7-8H2,1-2H3,
    (H2,18,19,20)/t15-,16-/m0
    /s1;
    VIUGBRHEHAGOFV-HOTGVXAUSA-N    		 CC(C)c1cc(nc(n1)N)c2cc(ccc2O)N3CC(C(C3)O
    )O; CC(C)c1cc(nc(N)n1)c2cc(ccc2O)N3C[C@H
    ](O)[C@@H](O)C3; CC(C)c1cc(nc(N)n1)c2cc(
    ccc2O)N3C[CH](O)[CH](O)C3; CC(C)c1cc(nc(
    n1)N)c2cc(ccc2O)N3C[C@@H]([C@H](C3)O)O;
    n1c(cc(nc1N)c2c(O)ccc(c2)N3CC(O)C(O)C3)C
    (C)C    		 (3S,4S)-1-{3-[2-amino-6-(propan-2-yl)pyrimidin-4-yl]-4-hydroxyphenyl}pyrrolidine-3,4-diol
    33336
    PMV
    ZINC000001532853    		 11 C6 H13 O7 P InChI=1S/C6H13O7P/c1-6(9,
    4-5(7)8)2-3-13-14(10,11)1
    2/h9H,2-4H2,1H3,(H,7,8)(H
    2,10,11,12)/t6-/m1/s1;
    OKZYCXHTTZZYSK-ZCFIWIBFSA-N    		 CC(CCOP(=O)(O)O)(CC(=O)O)O; C[C](O)(CCO[
    P](O)(O)=O)CC(O)=O; C[C@@](O)(CCO[P](O)(
    O)=O)CC(O)=O; C[C@@](CCOP(=O)(O)O)(CC(=O
    )O)O; O=P(O)(O)OCCC(O)(C)CC(=O)O    		 (3R)-3-HYDROXY-3-METHYL-5-(PHOSPHONOOXY)PENTANOIC ACID;
    PHOSPHOMEVALONATE
    33337
    PMW
    CHEMBL5075205    		 2 C22 H23 Cl N4 O2 S InChI=1S/C22H23ClN4O2S/c1
    -6-16(22(28)29-5)19-20-26
    -25-13(4)27(20)21-17(11(2
    )12(3)30-21)18(24-19)14-7
    -9-15(23)10-8-14/h7-10,16
    ,19H,6H2,1-5H3/t16-,19+/m
    1/s1;
    WLKVOOMXHSBIOW-APWZRJJASA-N    		 CC[C@H]([C@H]1c2nnc(n2-c3c(c(c(s3)C)C)C(
    =N1)c4ccc(cc4)Cl)C)C(=O)OC; CC[CH]([CH]1
    N=C(c2ccc(Cl)cc2)c3c(C)c(C)sc3n4c(C)nnc1
    4)C(=O)OC; CCC(C1c2nnc(n2-c3c(c(c(s3)C)C
    )C(=N1)c4ccc(cc4)Cl)C)C(=O)OC; CC[C@H]([
    C@@H]1N=C(c2ccc(Cl)cc2)c3c(C)c(C)sc3n4c(
    C)nnc14)C(=O)OC    		 methyl (2R)-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate
    33338
    PMX
    CHEMBL463134
    ZINC000013347539    		 1 C14 H14 Cl N O6 InChI=1S/C14H14ClNO6/c1-2
    2-13(19)5-4-12(18)16-10(1
    4(20)21)7-8-2-3-11(17)9(1
    5)6-8/h2-6,10,17H,7H2,1H3
    ,(H,16,18)(H,20,21)/b5-4+
    /t10-/m0/s1;
    KCOKHEIACSQLBQ-YEZKRMTDSA-N    		 COC(=O)C=CC(=O)N[CH](Cc1ccc(O)c(Cl)c1)C(
    O)=O; Clc1cc(ccc1O)CC(C(=O)O)NC(=O)\C=C\
    C(=O)OC; COC(=O)C=CC(=O)NC(Cc1ccc(c(c1)C
    l)O)C(=O)O; COC(=O)\C=C\C(=O)N[C@@H](Cc1
    ccc(O)c(Cl)c1)C(O)=O; COC(=O)/C=C/C(=O)N
    [C@@H](Cc1ccc(c(c1)Cl)O)C(=O)O    		 3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine;
    (+)-Xylariamide A
    33339
    PMY    		 0 C48 H67 N17 O10 S2 InChI=1S/C48H67N17O10S2/c
    1-22-35(62-42(65-40(22)51
    )29(16-33(50)67)57-17-28(
    49)41(52)70)46(74)64-37(3
    9(69)30-18-53-21-58-30)47
    (75)59-25(4)38(68)23(2)43
    (71)63-36(26(5)66)45(73)5
    6-15-12-34-60-32(20-76-34
    )48-61-31(19-77-48)44(72)
    55-14-9-13-54-24(3)27-10-
    7-6-8-11-27/h6-8,10-11,18
    -21,23-26,28-29,36-39,54,
    57,66,68-69H,9,12-17,49H2
    ,1-5H3,(H2,50,67)(H2,52,7
    0)(H,53,58)(H,55,72)(H,56
    ,73)(H,59,75)(H,63,71)(H,
    64,74)(H2,51,62,65)/t23-,
    24-,25+,26+,28-,29-,36-,3
    7-,38-,39-/m0/s1;
    RTKDONJKKYUNIT-HJVYYLMSSA-N    		 O=C(N)C(N)CNC(c1nc(N)c(c(n1)C(=O)NC(C(=O
    )NC(C)C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c4n
    c(C(=O)NCCCNC(c3ccccc3)C)cs4)C(O)C)C)C(O
    )c5ncnc5)C)CC(=O)N; Cc1c(nc(nc1N)C(CC(=O
    )N)NCC(C(=O)N)N)C(=O)NC(C(c2c[nH]cn2)O)C
    (=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCc3n
    c(cs3)c4nc(cs4)C(=O)NCCCNC(C)c5ccccc5)O;
    C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)
    [C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1
    C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[C@@H](
    O)c2c[nH]cn2)C(=O)NCCc3scc(n3)c4scc(n4)C
    (=O)NCCCN[C@@H](C)c5ccccc5; C[CH](O)[CH]
    (NC(=O)[CH](C)[CH](O)[CH](C)NC(=O)[CH](N
    C(=O)c1nc(nc(N)c1C)[CH](CC(N)=O)NC[CH](N
    )C(N)=O)[CH](O)c2c[nH]cn2)C(=O)NCCc3scc(
    n3)c4scc(n4)C(=O)NCCCN[CH](C)c5ccccc5; C
    c1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)
    N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O)C(=O
    )N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@
    @H](C)O)C(=O)NCCc3nc(cs3)c4nc(cs4)C(=O)N
    CCCN[C@@H](C)c5ccccc5)O    		 AGLYCON OF PEPLOMYCIN;
    AGLYCON OF (S)-N1-[3-[(1-PHENYLETHYL)AMINO]-PROPYL]BLEOMYCINAMIDE
    33340
    PMZ
    CHEMBL39560
    DB01614
    ZINC000000057198    		 1 C19 H22 N2 O S InChI=1S/C19H22N2OS/c1-14
    (22)15-9-10-19-17(13-15)2
    1(12-6-11-20(2)3)16-7-4-5
    -8-18(16)23-19/h4-5,7-10,
    13H,6,11-12H2,1-3H3;
    NOSIYYJFMPDDSA-UHFFFAOYSA-N    		 CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(C)=O; O=
    C(c2cc1N(c3c(Sc1cc2)cccc3)CCCN(C)C)C; CC
    (=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C    		 1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-PHENOTHIAZIN-2-YL]-ETHANONE;
    ACETYLPROMAZINE
    33341
    PN0
    CHEMBL75094
    DB05100
    ZINC000000580328    		 8 C18 H21 N3 O5 S2 InChI=1S/C18H21N3O5S2/c1-
    18(2)16(17(22)20-23)21(11
    -12-27-18)28(24,25)15-5-3
    -13(4-6-15)26-14-7-9-19-1
    0-8-14/h3-10,16,23H,11-12
    H2,1-2H3,(H,20,22)/t16-/m
    0/s1;
    YKPYIPVDTNNYCN-INIZCTEOSA-N    		 CC1(C(N(CCS1)S(=O)(=O)c2ccc(cc2)Oc3ccncc
    3)C(=O)NO)C; O=S(=O)(N1C(C(=O)NO)C(SCC1)
    (C)C)c3ccc(Oc2ccncc2)cc3; CC1(C)SCCN([C@
    H]1C(=O)NO)[S](=O)(=O)c2ccc(Oc3ccncc3)cc
    2; CC1([C@@H](N(CCS1)S(=O)(=O)c2ccc(cc2)
    Oc3ccncc3)C(=O)NO)C; CC1(C)SCCN([CH]1C(=
    O)NO)[S](=O)(=O)c2ccc(Oc3ccncc3)cc2    		 Prinomastat;
    (3S)-N-hydroxy-2,2-dimethyl-4-{[4-(pyridin-4-yloxy)phenyl]sulfonyl}thiomorpholine-3-carboxamide
    33342
    PN1
    ZINC000004062610    		 2 C16 H19 N3 O4 S InChI=1S/C16H19N3O4S/c1-1
    6(2)11(15(22)23)19-13(21)
    10(14(19)24-16)18-12(20)9
    (17)8-6-4-3-5-7-8/h3-7,9-
    11,14H,17H2,1-2H3,(H,18,2
    0)(H,22,23)/t9-,10+,11-,1
    4+/m0/s1;
    AVKUERGKIZMTKX-BBGACYKPSA-N    		 O=C(O)C2N3C(=O)C(NC(=O)C(c1ccccc1)N)C3SC
    2(C)C; CC1(C(N2C(S1)C(C2=O)NC(=O)C(c3ccc
    cc3)N)C(=O)O)C; CC1([C@@H](N2[C@H](S1)[C
    @@H](C2=O)NC(=O)[C@H](c3ccccc3)N)C(=O)O)
    C; CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3
    ccccc3)C(=O)N2[C@H]1C(O)=O; CC1(C)S[CH]2
    [CH](NC(=O)[CH](N)c3ccccc3)C(=O)N2[CH]1C
    (O)=O    		 (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
    33343
    PN2
    ZINC000033409231    		 0 C14 H26 N3 O8 P S InChI=1S/C14H26N3O8PS/c1-
    14(2,9-25-26(22,23)24-8-1
    0(15)7-18)12(20)13(21)17-
    4-3-11(19)16-5-6-27/h12,2
    0,27H,3-6,8-9,15H2,1-2H3,
    (H,16,19)(H,17,21)(H,22,2
    3)/t12-/m0/s1;
    ZGRYNLLRYMHWCW-LBPRGKRZSA-N    		 CC(C)(CO[P@@](O)(=O)OCC(N)=C=O)[C@@H](O)
    C(=O)NCCC(=O)NCCS; CC(C)(CO[P](O)(=O)OCC
    (N)=C=O)[CH](O)C(=O)NCCC(=O)NCCS; CC(C)(
    COP(=O)(O)OCC(=C=O)N)C(C(=O)NCCC(=O)NCCS
    )O; CC(C)(CO[P@](=O)(O)OCC(=C=O)N)[C@H](
    C(=O)NCCC(=O)NCCS)O; O=C(NCCS)CCNC(=O)C(
    O)C(C)(C)COP(=O)(O)OCC(=C=O)/N    		 4'-(3-AMINOPROPIONIC) PHOSPHOPANTETHEINE;
    2-AMINO-3-(HYDROXY-(3-HYDROXY-3-[2-(MERCAPTO-ETHYLCARBAMOYL]-2,2-DIMETHYL-PROPOXY-PHOSPHORYLOXY)-PROPIONIC ACID
    33344
    PN3
    ZINC000033977105    		 3 C15 H22 N2 O4 InChI=1S/C15H22N2O4/c1-15
    (2,3)21-14(19)16-13(10-17
    (20)11-18)9-12-7-5-4-6-8-
    12/h4-8,11,13,20H,9-10H2,
    1-3H3,(H,16,19)/t13-/m0/s
    1;
    WLOCWKYZMRXKHU-ZDUSSCGKSA-N    		 CC(C)(C)OC(=O)N[CH](CN(O)C=O)Cc1ccccc1;
    O=CN(O)CC(NC(=O)OC(C)(C)C)Cc1ccccc1; CC(
    C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN(C=O)O; C
    C(C)(C)OC(=O)N[C@H](CN(O)C=O)Cc1ccccc1;
    CC(C)(C)OC(=O)NC(Cc1ccccc1)CN(C=O)O    		 tert-butyl {(2S)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl}carbamate
    33345
    PN4
    CHEMBL447943
    ZINC000006716044    		 7 C14 H28 N2 O4 InChI=1S/C14H28N2O4/c1-4-
    5-6-8-15-11(18)7-9-16-13(
    20)12(19)14(2,3)10-17/h12
    ,17,19H,4-10H2,1-3H3,(H,1
    5,18)(H,16,20)/t12-/m0/s1;
    HWNKKPMQPCHGBA-LBPRGKRZSA-N    		 CCCCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO; CC
    CCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO; O=C(N
    CCC(=O)NCCCCC)C(O)C(C)(C)CO; CCCCCNC(=O)
    CCNC(=O)C(C(C)(C)CO)O; CCCCCNC(=O)CCNC(=
    O)[C@@H](C(C)(C)CO)O    		 (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide;
    N-Pentylpantothenamide
    33346
    PN5
    DB08408
    ZINC000013522155    		 2 C16 H30 N2 O5 S InChI=1S/C16H30N2O5S/c1-1
    5(2,3)14(22)23-10-16(4,5)
    12(20)13(21)18-7-6-11(19)
    17-8-9-24/h12,20,24H,6-10
    H2,1-5H3,(H,17,19)(H,18,2
    1)/t12-/m0/s1;
    KVQSHCZSRKQWCB-LBPRGKRZSA-N    		 CC(C)(C)C(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC
    (=O)NCCS; CC(C)(C)C(=O)OCC(C)(C)[CH](O)C
    (=O)NCCC(=O)NCCS; O=C(NCCS)CCNC(=O)C(O)C
    (C)(C)COC(=O)C(C)(C)C; CC(C)(C)C(=O)OCC(
    C)(C)C(C(=O)NCCC(=O)NCCS)O; CC(C)(C)C(=O
    )OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCS)O    		 (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate
    33347
    PN6
    CHEMBL1096380
    DB05992
    ZINC000003819466    		 6 C19 H20 N4 O2 InChI=1S/C19H20N4O2/c1-19
    (2,3)16-13(20-11-21-16)10
    -15-18(25)22-14(17(24)23-
    15)9-12-7-5-4-6-8-12/h4-1
    1H,1-3H3,(H,20,21)(H,22,2
    5)(H,23,24)/b14-9-,15-10-;
    UNRCMCRRFYFGFX-TYPNBTCFSA-N    		 CC(C)(C)c1[nH]cnc1C=C2NC(=O)C(NC2=O)=Cc3
    ccccc3; [C@H](c1ncnc1C(C)(C)C)=C2NC(=O)C
    (NC2=O)=[C@H]c3ccccc3; CC(C)(C)c1c(nc[nH
    ]1)/C=C\2/C(=O)N/C(=C\c3ccccc3)/C(=O)N2;
    CC(C)(C)c1c(nc[nH]1)C=C2C(=O)NC(=Cc3ccc
    cc3)C(=O)N2; CC(C)(C)c1[nH]cnc1/C=C/2NC(
    =O)C(/NC/2=O)=C/c3ccccc3    		 (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione;
    Plinabulin
    33348
    PN7    		 23 C11 H23 N2 O7 P S InChI=1S/C11H23N2O7PS/c1-
    11(2,7-20-21(17,18)19)9(1
    5)10(16)13-4-3-8(14)12-5-
    6-22/h9,15,22H,3-7H2,1-2H
    3,(H,12,14)(H,13,16)(H2,1
    7,18,19)/t9-/m1/s1;
    JDMUPRLRUUMCTL-SECBINFHSA-N    		 OC(C(C)(COP(O)(O)=O)C)C(=O)NCCC(NCCS)=O;
    CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O
    ; CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=
    O)NCCS; CC(C)(CO[P](O)(O)=O)[C@H](O)C(=O
    )NCCC(=O)NCCS; CC(C)(COP(=O)(O)O)[C@@H](
    C(=O)NCCC(=O)NCCS)O    		 N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide
    33349
    PN8    		 2 C7 H14 N3 O4 InChI=1S/C7H14N3O4/c8-10-
    9-2-3-4(11)1-5(12)7(14)6(
    3)13/h3-7,9,11-14H,1-2H2/
    t3-,4-,5-,6+,7+/m0/s1;
    FBFTWYYGVGMNEW-YPPKRKOXSA-N    		 O[C@H]1C[C@H](O)[C@H](CN[N]#N)[C@@H](O)[
    C@@H]1O; O[CH]1C[CH](O)[CH](CN[N]#N)[CH]
    (O)[CH]1O; C1[C@@H]([C@@H]([C@H]([C@@H](
    [C@H]1O)O)O)CN[N]#N)O; C1C(C(C(C(C1O)O)O
    )CN[N]#N)O    		 (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[($l^{5}-azanylidyne-$l^{5}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol
    33350
    PN9
    ZINC000058638491    		 3 C13 H19 N2 O7 P S InChI=1S/C13H19N2O7PS/c1-
    8-12(16)10(6-15-11(13(17)
    18)3-4-24-2)9(5-14-8)7-22
    -23(19,20)21/h5-6,14,16H,
    3-4,7H2,1-2H3,(H,17,18)(H
    2,19,20,21)/b10-6-,15-11+;
    UNHRYMFMFMQCNK-JNVWRRHBSA-N    		 CSCCC(=[NH+]C=C1C(=C(C)NC=C1CO[P](O)(O)=
    O)[O-])C(O)=O; CC1=C(C(=C[NH+]=C(CCSC)C(
    =O)O)C(=CN1)COP(=O)(O)O)[O-]; CC1=C(/C(=
    C\[NH+]=C(/CCSC)\C(=O)O)/C(=CN1)COP(=O)(
    O)O)[O-]; CSCCC(=[NH+]\C=C1/C(=C(C)NC=C1
    CO[P](O)(O)=O)[O-])C(O)=O; O=C(O)C(\CCSC
    )=[NH+]\C=C1/C([O-])=C(C)NC=C1COP(=O)(O)
    O    		 (4Z)-4-({[(1E)-1-carboxy-3-(methylsulfanyl)propylidene]azaniumyl}methylidene)-2-methyl-5-[(phosphonooxy)methyl]-1,4-dihydropyridin-3-olate;
    PLP-Met adduct intermediate in zwitterionic form
    33351
    PNA
    CHEMBL1173567
    ZINC000004282153    		 6 C12 H15 N O8 InChI=1S/C12H15NO8/c14-5-
    8-9(15)10(16)11(17)12(21-
    8)20-7-3-1-6(2-4-7)13(18)
    19/h1-4,8-12,14-17H,5H2/t
    8-,9-,10+,11+,12+/m1/s1;
    IFBHRQDFSNCLOZ-GCHJQGSQSA-N    		 [O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)c
    c2; c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@H](
    [C@H]([C@@H]([C@H](O2)CO)O)O)O; c1cc(ccc
    1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O; OC
    [CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](
    O)[CH](O)[CH]1O; OC[C@H]1O[C@H](Oc2ccc(c
    c2)[N+]([O-])=O)[C@@H](O)[C@@H](O)[C@@H]
    1O    		 4-nitrophenyl alpha-D-mannopyranoside;
    4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDE;
    4-nitrophenyl alpha-D-mannoside;
    4-nitrophenyl D-mannoside;
    4-nitrophenyl mannoside
    33352
    PNB
    DB08409    		 8 C13 H17 N2 O8 P InChI=1S/C13H17N2O8P/c16-
    12(14-8-13(17)18)2-1-7-24
    (21,22)23-9-10-3-5-11(6-4
    -10)15(19)20/h3-6H,1-2,7-
    9H2,(H,14,16)(H,17,18)(H,
    21,22);
    LNMNPGKCSJFAGN-UHFFFAOYSA-N    		 c1cc(ccc1COP(=O)(CCCC(=O)NCC(=O)O)O)[N+]
    (=O)[O-]; O=C(O)CNC(=O)CCCP(=O)(OCc1ccc(
    cc1)[N+]([O-])=O)O; c1cc(ccc1CO[P@](=O)(
    CCCC(=O)NCC(=O)O)O)[N+](=O)[O-]; OC(=O)C
    NC(=O)CCC[P](O)(=O)OCc1ccc(cc1)[N+]([O-]
    )=O; OC(=O)CNC(=O)CCC[P@@](O)(=O)OCc1ccc
    (cc1)[N+]([O-])=O    		 4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYCINE
    33353
    PNC
    DB08410
    ZINC000002043202    		 2 C14 H17 N3 O6 InChI=1S/C14H17N3O6/c18-1
    2(2-1-3-13(19)16-9-14(20)
    21)15-8-10-4-6-11(7-5-10)
    17(22)23/h4-7H,1-3,8-9H2,
    (H,15,18)(H,16,19)(H,20,2
    1);
    UCFVFUIGNWHAJJ-UHFFFAOYSA-N    		 OC(=O)CNC(=O)CCCC(=O)NCc1ccc(cc1)[N+]([O
    -])=O; O=C(O)CNC(=O)CCCC(=O)NCc1ccc(cc1)
    [N+]([O-])=O; c1cc(ccc1CNC(=O)CCCC(=O)NC
    C(=O)O)[N+](=O)[O-]    		 PARA-NITROBENZYL GLUTARYL GLYCINIC ACID
    33354
    PND
    ZINC000003860923    		 2 C6 H7 N3 O2 InChI=1S/C6H7N3O2/c7-8-5-
    1-3-6(4-2-5)9(10)11/h1-4,
    8H,7H2;
    KMVPXBDOWDXXEN-UHFFFAOYSA-N    		 c1cc(ccc1NN)[N+](=O)[O-]; NNc1ccc(cc1)[N
    +]([O-])=O; [O-][N+](=O)c1ccc(NN)cc1    		 P-NITROPHENYLHYDRAZINE
    33355
    PNE
    DB08377
    ZINC000006491491    		 2 C13 H17 N2 O8 P InChI=1S/C13H17N2O8P/c1-9
    (13(17)18)14-12(16)3-2-8-
    24(21,22)23-11-6-4-10(5-7
    -11)15(19)20/h4-7,9H,2-3,
    8H2,1H3,(H,14,16)(H,17,18
    )(H,21,22)/t9-/m1/s1;
    KBXXIYHMPQZHCH-SECBINFHSA-N    		 O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)CCCC(=O)N
    C(C(=O)O)C; C[CH](NC(=O)CCC[P](O)(=O)Oc1
    ccc(cc1)[N+]([O-])=O)C(O)=O; C[C@@H](NC(
    =O)CCC[P@](O)(=O)Oc1ccc(cc1)[N+]([O-])=O
    )C(O)=O; CC(C(=O)O)NC(=O)CCCP(=O)(O)Oc1c
    cc(cc1)[N+](=O)[O-]; CC(C(=O)O)NC(=O)CCC
    [P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]    		 PARA-NITROPHENYL PHOSPHONOBUTANOYL L-ALANINE
    33356
    PNF
    DB08412
    ZINC000006536225    		 2 C16 H23 N2 O8 P InChI=1S/C16H23N2O8P/c19-
    15(17-11-3-1-2-6-16(20)21
    )5-4-12-27(24,25)26-14-9-
    7-13(8-10-14)18(22)23/h7-
    10H,1-6,11-12H2,(H,17,19)
    (H,20,21)(H,24,25);
    WYHHVZLGTMCKOR-UHFFFAOYSA-N    		 OC(=O)CCCCCNC(=O)CCC[P](O)(=O)Oc1ccc(cc1
    )[N+]([O-])=O; c1cc(ccc1[N+](=O)[O-])OP(
    =O)(CCCC(=O)NCCCCCC(=O)O)O; c1cc(ccc1[N+
    ](=O)[O-])O[P@@](=O)(CCCC(=O)NCCCCCC(=O)
    O)O; OC(=O)CCCCCNC(=O)CCC[P@](O)(=O)Oc1c
    cc(cc1)[N+]([O-])=O; O=P(Oc1ccc(cc1)[N+]
    ([O-])=O)(O)CCCC(=O)NCCCCCC(=O)O    		 6-{4-[HYDROXY-(4-NITRO-PHENOXY)-PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
    33357
    PNG
    CHEMBL1235365
    ZINC000004282228    		 10 C12 H15 N O8 InChI=1S/C12H15NO8/c14-5-
    8-9(15)10(16)11(17)12(21-
    8)20-7-3-1-6(2-4-7)13(18)
    19/h1-4,8-12,14-17H,5H2/t
    8-,9-,10+,11-,12+/m1/s1;
    IFBHRQDFSNCLOZ-ZIQFBCGOSA-N    		 OC[C@H]1O[C@H](Oc2ccc(cc2)[N+]([O-])=O)[
    C@H](O)[C@@H](O)[C@@H]1O; [O-][N+](=O)c2
    ccc(OC1OC(C(O)C(O)C1O)CO)cc2; c1cc(ccc1[
    N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H](
    [C@H](O2)CO)O)O)O; c1cc(ccc1[N+](=O)[O-]
    )OC2C(C(C(C(O2)CO)O)O)O; OC[CH]1O[CH](Oc
    2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]
    1O    		 4-nitrophenyl alpha-D-glucopyranoside;
    4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDE;
    4-nitrophenyl alpha-D-glucoside;
    4-nitrophenyl D-glucoside;
    4-nitrophenyl glucoside
    33358
    PNH
    CHEMBL45345
    ZINC000000901192    		 4 C5 H10 O InChI=1S/C5H10O/c1-3-4-5(
    2)6/h3-4H2,1-2H3;
    XNLICIUVMPYHGG-UHFFFAOYSA-N    		 O=C(C)CCC; CCCC(C)=O; CCCC(=O)C pentan-2-one
    33359
    PNI    		 0 C44 H36 N8 Ni InChI=1S/C44H36N8.Ni/c1-4
    9-21-13-29(14-22-49)41-33
    -5-7-35(45-33)42(30-15-23
    -50(2)24-16-30)37-9-11-39
    (47-37)44(32-19-27-52(4)2
    8-20-32)40-12-10-38(48-40
    )43(36-8-6-34(41)46-36)31
    -17-25-51(3)26-18-31;/h5-
    28H,1-4H3;/q-4;+4;
    KZZFAYDWICISAM-UHFFFAOYSA-N    		 c76/C(c%11n4c(/C(c1n5c(cc1)/C(=C2/C=CN(C
    =C2)C)c3ccc/9n3[Ni]45n6c(cc7)C\9=C8/C=CN
    (C=C8)C)=C%10/C=CN(C=C%10)C)cc%11)=C%12\
    C=CN(C=C%12)C; CN1C=CC(=C2c3ccc4n3[Ni]56
    n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C2
    C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C)C
    =C1; CN1C=CC(C=C1)=C2c3ccc4n3[Ni]56n7c2c
    cc7C(=C8C=CN(C)C=C8)c9ccc(n59)C(=C%10C=C
    N(C)C=C%10)c%11ccc(n6%11)C4=C%12C=CN(C)C
    =C%12    		 TETRA[N-METHYL-PYRIDYL] PORPHYRIN-NICKEL
    33360
    PNJ    		 4 C12 H16 N2 O7 InChI=1S/C12H16N2O7/c13-9
    -11(17)10(16)8(5-15)21-12
    (9)20-7-3-1-6(2-4-7)14(18
    )19/h1-4,8-12,15-17H,5,13
    H2/t8-,9-,10-,11-,12-/m1/
    s1;
    ZRNBGANFPXCMFT-LZQZFOIKSA-N    		 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H
    ]([C@@H]([C@H](O2)CO)O)O)N; c1cc(ccc1[N+
    ](=O)[O-])OC2C(C(C(C(O2)CO)O)O)N; N[CH]1
    [CH](O)[CH](O)[CH](CO)O[CH]1Oc2ccc(cc2)[
    N+]([O-])=O; N[C@@H]1[C@@H](O)[C@H](O)[C
    @@H](CO)O[C@H]1Oc2ccc(cc2)[N+]([O-])=O    		 4-nitrophenyl 2-amino-2-deoxy-beta-D-glucopyranoside;
    PNP-BETA-D-GLUCOSAMINE;
    4-nitrophenyl 2-amino-2-deoxy-beta-D-glucoside;
    4-nitrophenyl 2-amino-2-deoxy-D-glucoside;
    4-nitrophenyl 2-amino-2-deoxy-glucoside
    33361
    PNK
    CHEMBL1235368
    ZINC000004576930    		 10 C16 H20 N2 O5 S InChI=1S/C16H20N2O5S/c1-1
    6(2)12(15(22)23)18-13(24-
    16)11(14(20)21)17-10(19)8
    -9-6-4-3-5-7-9/h3-7,11-13
    ,18H,8H2,1-2H3,(H,17,19)(
    H,20,21)(H,22,23)/t11-,12
    -,13+/m0/s1;
    HCYWNSXLUZRKJX-RWMBFGLXSA-N    		 CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)Cc2c
    cccc2)C(O)=O; CC1(C)S[C@@H](N[C@H]1C(O)=
    O)[C@H](NC(=O)Cc2ccccc2)C(O)=O; CC1(C(NC
    (S1)C(C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)C; C
    C1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)
    Cc2ccccc2)C(=O)O)C; O=C(NC(C(=O)O)C1SC(C
    (N1)C(=O)O)(C)C)Cc2ccccc2    		 (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;
    Penicillin, hydroxylated form
    33362
    PNL    		 0 C3 H6 O InChI=1/C3H6O/c1-2-3-4/h3
    H,2H2,1H3;
    NBBJYMSMWIIQGU-UHFFFAOYAZ    		 CCC=O; O=CCC PROPANAL
    33363
    PNM
    ZINC000006591277    		 48 C16 H20 N2 O4 S InChI=1S/C16H20N2O4S/c1-1
    6(2)13(15(21)22)18-14(23-
    16)11(9-19)17-12(20)8-10-
    6-4-3-5-7-10/h3-7,9,11,13
    -14,18H,8H2,1-2H3,(H,17,2
    0)(H,21,22)/t11-,13+,14-/
    m1/s1;
    OGFZUTGOGYUTKZ-KWCYVHTRSA-N    		 CC1(C(NC(S1)C(C=O)NC(=O)Cc2ccccc2)C(=O)O
    )C; CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=
    O)Cc2ccccc2)C(=O)O)C; O=C(NC(C=O)C1SC(C(
    N1)C(=O)O)(C)C)Cc2ccccc2; CC1(C)S[C@@H](
    N[C@H]1C(O)=O)[C@H](NC(=O)Cc2ccccc2)C=O;
    CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)Cc2
    ccccc2)C=O    		 OPEN FORM - PENICILLIN G
    33364
    PNN
    CHEMBL29
    DB01053
    ZINC000003871701    		 14 C16 H18 N2 O4 S InChI=1S/C16H18N2O4S/c1-1
    6(2)12(15(21)22)18-13(20)
    11(14(18)23-16)17-10(19)8
    -9-6-4-3-5-7-9/h3-7,11-12
    ,14H,8H2,1-2H3,(H,17,19)(
    H,21,22)/t11-,12+,14-/m1/
    s1;
    JGSARLDLIJGVTE-MBNYWOFBSA-N    		 CC1(C)S[CH]2[CH](NC(=O)Cc3ccccc3)C(=O)N2
    [CH]1C(O)=O; CC1(C)S[C@@H]2[C@H](NC(=O)C
    c3ccccc3)C(=O)N2[C@H]1C(O)=O; CC1(C(N2C(
    S1)C(C2=O)NC(=O)Cc3ccccc3)C(=O)O)C; CC1(
    [C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3c
    cccc3)C(=O)O)C; O=C(O)C2N3C(=O)C(NC(=O)C
    c1ccccc1)C3SC2(C)C    		 PENICILLIN G
    33365
    PNO    		 0 C H6 N O2 P InChI=1S/CH6NO2P/c1-5(2,3
    )4/h1H3,(H3,2,3,4);
    XQJNSUNTLIFUSQ-UHFFFAOYSA-N    		 O=P(O)(N)C; CP(=O)(N)O; C[P@](=O)(N)O; C
    [P@](N)(O)=O; C[P](N)(O)=O    		 P-METHYL AMINOPHOSPHINIC ACID
    33366
    PNP
    DB08413    		 8 C7 H8 N O5 P InChI=1S/C7H8NO5P/c1-14(1
    1,12)13-7-4-2-6(3-5-7)8(9
    )10/h2-5H,1H3,(H,11,12);
    VJPXTXIEAOSJBR-UHFFFAOYSA-N    		 CP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-]; O=P(Oc
    1ccc(cc1)[N+]([O-])=O)(O)C; C[P@@](=O)(O
    )Oc1ccc(cc1)[N+](=O)[O-]; C[P](O)(=O)Oc1
    ccc(cc1)[N+]([O-])=O; C[P@](O)(=O)Oc1ccc
    (cc1)[N+]([O-])=O    		 METHYL-PHOSPHONIC ACID MONO-(4-NITRO-PHENYL) ESTER;
    4-NITROPHENYL HYDROGEN METHYLPHOSPHONATE
    33367
    PNQ    		 1 C8 H11 Be F3 N2 O9 P2 InChI=1S/C8H12N2O9P2.Be.3
    FH/c11-10(12)8-3-1-7(2-4-
    8)9-5-6-18-21(16,17)19-20
    (13,14)15;;;;/h1-4,9H,5-6
    H2,(H,16,17)(H2,13,14,15)
    ;;3*1H/q;+4;;;/p-4;
    VQFXKFKMXDVHLH-UHFFFAOYSA-J    		 [Be](OP(=O)(O)OP(=O)(O)OCCNc1ccc(cc1)[N+
    ](=O)[O-])(F)(F)F; O[P](=O)(OCCNc1ccc(cc
    1)[N+]([O-])=O)O[P](O)(=O)O[Be](F)(F)F;
    [Be](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccc(
    cc1)[N+](=O)[O-])(F)(F)F; O[P@](=O)(OCCN
    c1ccc(cc1)[N+]([O-])=O)O[P@@](O)(=O)O[Be
    ](F)(F)F    		 P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE
    33368
    PNR
    ZINC000076945641    		 3 C22 H35 N O4 InChI=1S/C22H35NO4/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    14-15-22(24)27-21-18-16-2
    0(17-19-21)23(25)26/h16-1
    9H,2-15H2,1H3;
    LVZSQWIWCANHPF-UHFFFAOYSA-N    		 O=C(Oc1ccc(cc1)[N+]([O-])=O)CCCCCCCCCCCC
    CCC; CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+]
    (=O)[O-]; CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1
    )[N+]([O-])=O    		 4-nitrophenyl hexadecanoate;
    paranitrophenyl palmitate
    33369
    PNS
    DB03912    		 221 C11 H23 N2 O7 P S InChI=1S/C11H23N2O7PS/c1-
    11(2,7-20-21(17,18)19)9(1
    5)10(16)13-4-3-8(14)12-5-
    6-22/h9,15,22H,3-7H2,1-2H
    3,(H,12,14)(H,13,16)(H2,1
    7,18,19)/t9-/m0/s1;
    JDMUPRLRUUMCTL-VIFPVBQESA-N    		 CC(C)(CO[P](O)(O)=O)[C@@H](O)C(=O)NCCC(=
    O)NCCS; O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(
    =O)(O)O; CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=
    O)NCCS)O; CC(C)(COP(=O)(O)O)[C@H](C(=O)N
    CCC(=O)NCCS)O; CC(C)(CO[P](O)(O)=O)[CH](
    O)C(=O)NCCC(=O)NCCS    		 4'-PHOSPHOPANTETHEINE
    33370
    PNT
    CHEMBL55
    DB00738
    ZINC000001530775    		 14 C19 H24 N4 O2 InChI=1S/C19H24N4O2/c20-1
    8(21)14-4-8-16(9-5-14)24-
    12-2-1-3-13-25-17-10-6-15
    (7-11-17)19(22)23/h4-11H,
    1-3,12-13H2,(H3,20,21)(H3
    ,22,23);
    XDRYMKDFEDOLFX-UHFFFAOYSA-N    		 O(c1ccc(cc1)C(=[N@H])N)CCCCCOc2ccc(C(=[N
    @H])N)cc2; NC(=N)c1ccc(OCCCCCOc2ccc(cc2)
    C(N)=N)cc1; c1cc(ccc1C(=N)N)OCCCCCOc2ccc
    (cc2)C(=N)N    		 1,5-BIS(4-AMIDINOPHENOXY)PENTANE
    33371
    PNU
    CHEMBL280541
    DB08414    		 2 C13 H11 Cl N4 O S InChI=1S/C13H11ClN4OS/c1-
    7(20-13-17-11(14)5-12(15)
    18-13)9-4-8-2-3-19-10(8)6
    -16-9/h2-7H,1H3,(H2,15,17
    ,18)/t7-/m0/s1;
    ATCRIOJPQXDFNY-ZETCQYMHSA-N    		 CC(c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N; C[C@H
    ](Sc1nc(N)cc(Cl)n1)c2cc3ccoc3cn2; C[C@@H
    ](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N; C[CH](
    Sc1nc(N)cc(Cl)n1)c2cc3ccoc3cn2; Clc1nc(n
    c(N)c1)SC(c2ncc3occc3c2)C    		 6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-YLAMINE
    33372
    PNV
    CHEMBL615
    DB00417
    ZINC000003831282    		 4 C16 H18 N2 O5 S InChI=1S/C16H18N2O5S/c1-1
    6(2)12(15(21)22)18-13(20)
    11(14(18)24-16)17-10(19)8
    -23-9-6-4-3-5-7-9/h3-7,11
    -12,14H,8H2,1-2H3,(H,17,1
    9)(H,21,22)/t11-,12+,14-/
    m1/s1;
    BPLBGHOLXOTWMN-MBNYWOFBSA-N    		 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)
    COc3ccccc3)C(=O)O)C; CC1(C)S[CH]2[CH](NC
    (=O)COc3ccccc3)C(=O)N2[CH]1C(O)=O; CC1(C
    (N2C(S1)C(C2=O)NC(=O)COc3ccccc3)C(=O)O)C
    ; c1c(cccc1)OCC(NC2C(N3C2SC(C)(C)C3C(=O)
    O)=O)=O; CC1(C)S[C@@H]2[C@H](NC(=O)COc3c
    cccc3)C(=O)N2[C@H]1C(O)=O    		 (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID;
    PENICILLIN V
    33373
    PNW
    CHEMBL152723
    ZINC000004028812    		 4 C12 H15 N O8 InChI=1S/C12H15NO8/c14-5-
    8-9(15)10(16)11(17)12(21-
    8)20-7-3-1-6(2-4-7)13(18)
    19/h1-4,8-12,14-17H,5H2/t
    8-,9-,10+,11-,12-/m1/s1;
    IFBHRQDFSNCLOZ-RMPHRYRLSA-N    		 [O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1O)CO)c
    c2; c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H](
    [C@H]([C@@H]([C@H](O2)CO)O)O)O; OC[C@H]1
    O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)
    [C@@H](O)[C@@H]1O; c1cc(ccc1[N+](=O)[O-]
    )OC2C(C(C(C(O2)CO)O)O)O; OC[CH]1O[CH](Oc
    2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]
    1O    		 4-nitrophenyl beta-D-glucopyranoside;
    4'-NITROPHENYL-BETA-D-GLUCOPYRANOSIDE;
    4-nitrophenyl beta-D-glucoside;
    4-nitrophenyl D-glucoside;
    4-nitrophenyl glucoside
    33374
    PNX
    CHEMBL628
    DB00806
    ZINC000001530776    		 19 C13 H18 N4 O3 InChI=1S/C13H18N4O3/c1-9(
    18)6-4-5-7-17-12(19)10-11
    (14-8-15(10)2)16(3)13(17)
    20/h8H,4-7H2,1-3H3;
    BYPFEZZEUUWMEJ-UHFFFAOYSA-N    		 Cn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12; O
    =C2N(c1ncn(c1C(=O)N2CCCCC(=O)C)C)C; CC(=
    O)CCCCN1C(=O)c2c(ncn2C)N(C1=O)C    		 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE;
    PENTOXIFYLLINE
    33375
    PNY
    CHEMBL1738861
    ZINC000003869684    		 8 C11 H22 N2 O4 S InChI=1S/C11H22N2O4S/c1-1
    1(2,7-14)9(16)10(17)13-4-
    3-8(15)12-5-6-18/h9,14,16
    ,18H,3-7H2,1-2H3,(H,12,15
    )(H,13,17)/t9-/m0/s1;
    ZNXZGRMVNNHPCA-VIFPVBQESA-N    		 CC(C)(CO)[CH](O)C(=O)NCCC(=O)NCCS; CC(C)
    (CO)[C@H](C(=O)NCCC(=O)NCCS)O; CC(C)(CO)
    [C@@H](O)C(=O)NCCC(=O)NCCS; CC(C)(CO)C(C
    (=O)NCCC(=O)NCCS)O; O=C(NCCS)CCNC(=O)C(O
    )C(C)(C)CO    		 (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide;
    pantetheine;
    (R)-2,4-Dihydroxy-N-(3-((2-mercaptoethyl)amino)-3-oxopropyl)-3,3-dimethylbutanamide
    33376
    PNZ
    CHEMBL1235374
    ZINC000001703646    		 10 C7 H8 N2 O2 InChI=1S/C7H8N2O2/c8-5-6-
    1-3-7(4-2-6)9(10)11/h1-4H
    ,5,8H2;
    ODVBBZFQPGORMJ-UHFFFAOYSA-N    		 [O-][N+](=O)c1ccc(cc1)CN; NCc1ccc(cc1)[N
    +]([O-])=O; c1cc(ccc1CN)[N+](=O)[O-]    		 P-NITRO-BENZYLAMINE
    33377
    PO0    		 0 C10 H15 N InChI=1S/C10H15N/c1-2-10(
    11)8-9-6-4-3-5-7-9/h3-7,1
    0H,2,8,11H2,1H3/t10-/m1/s
    1;
    IOLQWLOHKZENDW-SNVBAGLBSA-N    		 CC[C@@H](N)Cc1ccccc1; CCC(Cc1ccccc1)N; C
    C[C@H](Cc1ccccc1)N; CC[CH](N)Cc1ccccc1;
    NC(Cc1ccccc1)CC    		 1-BENZYL-(R)-PROPYLAMINE
    33378
    PO1
    CHEMBL218382
    DB08416
    ZINC000003975451    		 2 C19 H28 N2 O7 S2 InChI=1S/C19H28N2O7S2/c1-
    19-8-7-12-13(15(19)5-6-18
    (19)28-30(21,24)25)4-3-11
    -9-17(27-29(20,22)23)16(2
    6-2)10-14(11)12/h9-10,12-
    13,15,18H,3-8H2,1-2H3,(H2
    ,20,22,23)(H2,21,24,25)/t
    12-,13+,15-,18-,19-/m0/s1;
    AQSNIXKAKUZPSI-SSTWWWIQSA-N    		 O=S(=O)(Oc1cc4c(cc1OC)C3CCC2(C(CCC2OS(=O
    )(=O)N)C3CC4)C)N; CC12CCC3c4cc(c(cc4CCC3
    C1CCC2OS(=O)(=O)N)OS(=O)(=O)N)OC; COc1cc
    2[CH]3CC[C]4(C)[CH](CC[CH]4[CH]3CCc2cc1O
    [S](N)(=O)=O)O[S](N)(=O)=O; C[C@]12CC[C@
    @H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OS
    (=O)(=O)N)OS(=O)(=O)N)OC; COc1cc2[C@H]3C
    C[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2cc1O[S
    ](N)(=O)=O)O[S](N)(=O)=O    		 (9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE
    33379
    PO2
    DB04053    		 3 O2 P InChI=1S/HO2P/c1-3-2/h(H,
    1,2)/p-1;
    GQZXNSPRSGFJLY-UHFFFAOYSA-M    		 [O-]P=O HYPOPHOSPHITE
    33380
    PO3    		 54 O3 P InChI=1S/O3P/c1-4(2)3/q-3;
    AQSJGOWTSHOLKH-UHFFFAOYSA-N    		 [O-][P-]([O-])=O; [O-][PH2-]([O-])=O; [O
    -][P-](=O)[O-]    		 PHOSPHITE ION
    33381
    PO4
    DB14523    		 3571 O4 P InChI=1S/H3O4P/c1-5(2,3)4
    /h(H3,1,2,3,4)/p-3;
    NBIIXXVUZAFLBC-UHFFFAOYSA-K    		 [O-][P]([O-])([O-])=O; [O-]P([O-])([O-])
    =O; [O-]P(=O)([O-])[O-]    		 PHOSPHATE ION
    33382
    PO5
    ZINC000034285242    		 1 C25 H30 N8 O3 InChI=1S/C25H30N8O3/c1-31
    (2)16-19(34)17-36-20-5-3-
    18(4-6-20)28-25-26-10-9-2
    2(29-25)21-15-27-33-23(21
    )7-8-24(30-33)32-11-13-35
    -14-12-32/h3-10,15,19,34H
    ,11-14,16-17H2,1-2H3,(H,2
    6,28,29)/t19-/m0/s1;
    GBRORGYPYNNDGL-IBGZPJMESA-N    		 CN(C)CC(COc1ccc(cc1)Nc2nccc(n2)c3cnn4c3c
    cc(n4)N5CCOCC5)O; CN(C)C[C@@H](COc1ccc(c
    c1)Nc2nccc(n2)c3cnn4c3ccc(n4)N5CCOCC5)O;
    CN(C)C[C@H](O)COc1ccc(Nc2nccc(n2)c3cnn4
    nc(ccc34)N5CCOCC5)cc1; CN(C)C[CH](O)COc1
    ccc(Nc2nccc(n2)c3cnn4nc(ccc34)N5CCOCC5)c
    c1; n4n3ncc(c1nc(ncc1)Nc2ccc(OCC(O)CN(C)
    C)cc2)c3ccc4N5CCOCC5    		 (2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol
    33383
    PO6
    CHEMBL1717544
    ZINC000000123519    		 6 C8 H9 N O2 InChI=1S/C8H9NO2/c9-8(10)
    6-11-7-4-2-1-3-5-7/h1-5H,
    6H2,(H2,9,10);
    AOPRXJXHLWYPQR-UHFFFAOYSA-N    		 c1ccc(cc1)OCC(=O)N; NC(=O)COc1ccccc1; O=
    C(N)COc1ccccc1    		 2-phenoxyacetamide
    33384
    PO7    		 2 C19 H18 F2 N4 O2 InChI=1S/C19H18F2N4O2/c1-
    19(2,3)16-13(22-9-23-16)8
    -15-18(27)24-14(17(26)25-
    15)7-10-6-11(20)4-5-12(10
    )21/h4-9H,1-3H3,(H,22,23)
    (H,24,27)(H,25,26)/b14-7?
    ,15-8-;
    YRMXYQDFDXFFPU-QEJIEUBGSA-N    		 CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)NC(=Cc3c
    c(ccc3F)F)C(=O)N2; CC(C)(C)c1c([nH]cn1)C
    =C2C(=O)NC(=Cc3cc(ccc3F)F)C(=O)N2; CC(C)
    (C)c1nc[nH]c1C=C2NC(=O)C(NC2=O)=Cc3cc(F)
    ccc3F; CC(C)(C)c1nc[nH]c1\C=C2/NC(=O)\C(
    NC2=O)=C\c3cc(F)ccc3F    		 (6Z)-3-[[2,5-bis(fluoranyl)phenyl]methylidene]-6-[(4-tert-butyl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione
    33385
    PO8    		 3 C7 H16 N O5 InChI=1S/C7H15NO5/c8-3-2(
    1-9)4(10)6(12)7(13)5(3)11
    /h2-7,9-13H,1,8H2/p+1/t2-
    ,3+,4+,5-,6-,7-/m0/s1;
    SWVTZDDSAFUTKS-ARYBSUEZSA-O    		 [NH3+][CH]1[CH](O)[CH](O)[CH](O)[CH](O)[
    CH]1CO; [NH3+][C@H]1[C@H](O)[C@H](O)[C@@
    H](O)[C@H](O)[C@H]1CO; C([C@H]1[C@H]([C@
    @H]([C@@H]([C@H]([C@@H]1O)O)O)O)[NH3+])O
    ; C(C1C(C(C(C(C1O)O)O)O)[NH3+])O    		 (1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
    33386
    PO9
    ZINC000085590680    		 2 C40 H78 O13 P2 InChI=1S/C40H78O13P2/c1-3
    -5-7-9-11-13-15-17-18-20-
    21-23-25-27-29-31-39(42)4
    9-35-38(36-52-55(47,48)51
    -34-37(41)33-50-54(44,45)
    46)53-40(43)32-30-28-26-2
    4-22-19-16-14-12-10-8-6-4
    -2/h17-18,37-38,41H,3-16,
    19-36H2,1-2H3,(H,47,48)(H
    2,44,45,46)/b18-17-/t37-,
    38+/m0/s1;
    WQMDYQSTTXRXLQ-HGWHEPCSSA-N    		 CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC
    C/C=C\CCCCCCCC)COP(=O)(O)OC[C@H](COP(=O)
    (O)O)O; CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=
    O)CCCCCCC\C=C/CCCCCCCC)CO[P](O)(=O)OC[C@
    @H](O)CO[P](O)(O)=O; CCCCCCCCCCCCCCCC(=O
    )OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)
    OCC(COP(=O)(O)O)O; CCCCCCCCCCCCCCCC(=O)O
    [CH](COC(=O)CCCCCCCC=CCCCCCCCC)CO[P](O)(
    =O)OC[CH](O)CO[P](O)(O)=O    		 [(2R)-2-hexadecanoyloxy-3-[oxidanyl-[(2S)-2-oxidanyl-3-phosphonooxy-propoxy]phosphoryl]oxy-propyl] (Z)-octadec-9-enoate
    33387
    POA
    DB03174    		 20 C2 H5 O4 P InChI=1S/C2H5O4P/c3-1-2-7
    (4,5)6/h1H,2H2,(H2,4,5,6);
    YEMKIGUKNDOZEG-UHFFFAOYSA-N    		 O[P](O)(=O)CC=O; C(C=O)P(=O)(O)O; O=CCP(
    =O)(O)O    		 PHOSPHONOACETALDEHYDE
    33388
    POB
    ZINC000003581150    		 1 C6 H15 N O8 P2 InChI=1S/C6H15NO8P2/c1-3-
    5(6(8)9)14-16(10,4(2)7)15
    -17(11,12)13/h4-5H,3,7H2,
    1-2H3,(H,8,9)(H2,11,12,13
    )/t4-,5+,16+/m0/s1;
    LSPLWPXJPPQFJE-RJPXELBVSA-N    		 CC[C@@H](O[P@@](=O)(O[P](O)(O)=O)[C@@H](
    C)N)C(O)=O; O=P(O)(OP(=O)(OC(C(=O)O)CC)C
    (N)C)O; CC[C@H](C(=O)O)O[P@](=O)([C@@H](
    C)N)OP(=O)(O)O; CC[CH](O[P](=O)(O[P](O)(
    O)=O)[CH](C)N)C(O)=O; CCC(C(=O)O)OP(=O)(
    C(C)N)OP(=O)(O)O    		 2-[(1-AMINO-ETHYL)-PHOSPHATE-PHOSPHINOYLOXY]-BUTYRIC ACID
    33389
    POC    		 0 C5 H15 N O4 P InChI=1/C5H14NO4P/c1-6(2,
    3)4-5-10-11(7,8)9/h4-5H2,
    1-3H3,(H-,7,8,9)/p+1/fC5H
    15NO4P/h7-8H/q+1;
    YHHSONZFOIEMCP-JDXNDFPICG    		 O=P(O)(O)OCC[N+](C)(C)C; C[N+](C)(C)CCO[
    P](O)(O)=O; C[N+](C)(C)CCOP(=O)(O)O    		 PHOSPHOCHOLINE
    33390
    POD
    CHEMBL61
    DB01179
    ZINC000003861806    		 2 C22 H22 O8 InChI=1S/C22H22O8/c1-25-1
    6-4-10(5-17(26-2)21(16)27
    -3)18-11-6-14-15(30-9-29-
    14)7-12(11)20(23)13-8-28-
    22(24)19(13)18/h4-7,13,18
    -20,23H,8-9H2,1-3H3/t13-,
    18+,19-,20-/m0/s1;
    YJGVMLPVUAXIQN-XVVDYKMHSA-N    		 COc1cc(cc(c1OC)OC)C2c3cc4c(cc3C(C5C2C(=O
    )OC5)O)OCO4; COc1cc(cc(OC)c1OC)[CH]2[CH]
    3[CH](COC3=O)[CH](O)c4cc5OCOc5cc24; O=C4
    OCC5C(O)c2cc1OCOc1cc2C(c3cc(OC)c(OC)c(OC
    )c3)C45; COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c
    (cc3[C@@H]([C@@H]5C2C(=O)OC5)O)OCO4; COc
    1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O
    )[C@@H](O)c4cc5OCOc5cc24    		 9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3-D][1,3]DIOXOL-6(5AH)-ONE;
    PODOPHYLLOTOXIN
    33391
    POF
    CHEMBL1235380
    DB08418
    ZINC000003988972    		 1 C24 H27 N3 O5 S InChI=1S/C24H27N3O5S/c1-2
    4-9-8-19-18-7-5-17(32-33(
    25,30)31)11-16(18)4-6-20(
    19)21(24)12-22(28)27(23(2
    4)29)14-15-3-2-10-26-13-1
    5/h2-3,5,7,10-11,13,19-21
    H,4,6,8-9,12,14H2,1H3,(H2
    ,25,30,31)/t19-,20-,21+,2
    4+/m1/s1;
    LSJKARAMQNGZDF-YOEKFXIASA-N    		 CC12CCC3c4ccc(cc4CCC3C1CC(=O)N(C2=O)Cc5c
    ccnc5)OS(=O)(=O)N; C[C]12CC[CH]3[CH](CCc
    4cc(O[S](N)(=O)=O)ccc34)[CH]1CC(=O)N(Cc5
    cccnc5)C2=O; C[C@]12CC[C@H]3[C@@H](CCc4c
    c(O[S](N)(=O)=O)ccc34)[C@@H]1CC(=O)N(Cc5
    cccnc5)C2=O; O=S(=O)(Oc1cc3c(cc1)C2CCC4(
    C(=O)N(C(=O)CC4C2CC3)Cc5cccnc5)C)N; C[C@
    ]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC(=
    O)N(C2=O)Cc5cccnc5)OS(=O)(=O)N    		 (4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate
    33392
    POG    		 28 C21 H44 O8 InChI=1S/C21H44O8/c1-15(2
    3)9-24-17(3)11-26-19(5)13
    -28-21(7)14-29-20(6)12-27
    -18(4)10-25-16(2)8-22/h15
    -23H,8-14H2,1-7H3/t15-,16
    ?,17?,18?,19?,20?,21?/m1/
    s1;
    OWRNLGZKEZSHGO-QAWAPDBNSA-N    		 C[C@H](CO)OC[C@@H](C)OC[C@@H](C)OC[C@@H]
    (C)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O; C[
    C@@H](O)COC(C)COC(C)COC(C)COC(C)COC(C)CO
    C(C)CO; CC(CO)OCC(C)OCC(C)OCC(C)OCC(C)OC
    C(C)OCC(C)O; O(CC(O)C)C(COC(C)COC(C)COC(
    C)COC(C)COC(C)CO)C; C[CH](O)COC(C)COC(C)
    COC(C)COC(C)COC(C)COC(C)CO    		 (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL;
    POLYPROPYLENE GLYCOL;
    HEPTAPROPYLENE GLYCOL
    33393
    POH
    CHEMBL65606    		 0 C44 H38 N8 InChI=1S/C44H37N8/c1-49-2
    1-13-29(14-22-49)41-33-5-
    7-35(45-33)42(30-15-23-50
    (2)24-16-30)37-9-11-39(47
    -37)44(32-19-27-52(4)28-2
    0-32)40-12-10-38(48-40)43
    (36-8-6-34(41)46-36)31-17
    -25-51(3)26-18-31/h5-28H,
    1-4H3,(H,45,46,47,48)/q+3
    /p+1/b41-33-,41-34-,42-35
    -,42-37-,43-36-,43-38-,44
    -39-,44-40-;
    ABCGFHPGHXSVKI-LWQDQPMZSA-O    		 C[n+]1ccc(cc1)/c/2c\3/nc(/c(c/4\[nH]/c(c
    (\c5n/c(c(\c6[nH]c2cc6)/c7cc[n+](cc7)C)/
    C=C5)/c8cc[n+](cc8)C)/cc4)/c9cc[n+](cc9)
    C)C=C3; n5c6c(c1nc(cc1)c(c2cc[n+](cc2)C)
    c3nc(C=C3)c(c4cc[n+](cc4)C)c8ccc(c(c5C=C
    6)c7cc[n+](cc7)C)n8)c9cc[n+](cc9)C; C[n+
    ]1ccc(cc1)c2c3ccc([nH]3)c(c4nc(c(c5ccc([
    nH]5)c(c6nc2C=C6)c7cc[n+](cc7)C)c8cc[n+]
    (cc8)C)C=C4)c9cc[n+](cc9)C; C[n+]1ccc(cc
    1)c2c3[nH]c(cc3)c(c4cc[n+](C)cc4)c5ccc(n
    5)c(c6[nH]c(cc6)c(c7cc[n+](C)cc7)c8ccc2n
    8)c9cc[n+](C)cc9    		 (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin;
    TMPyP4
    33394
    POI
    ZINC000016051622    		 4 C15 H24 N3 O8 P InChI=1S/C15H24N3O8P/c1-9
    -14(20)12(11(6-17-9)8-26-
    27(23,24)25)7-16-5-3-4-13
    (15(21)22)18-10(2)19/h6,1
    3,16,20H,3-5,7-8H2,1-2H3,
    (H,18,19)(H,21,22)(H2,23,
    24,25)/t13-/m0/s1;
    QIZZUQLTAZUUFQ-ZDUSSCGKSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCC(C(=O)O)N
    C(=O)C)O; Cc1c(c(c(cn1)COP(=O)(O)O)CNCCC
    [C@@H](C(=O)O)NC(=O)C)O; CC(=O)N[CH](CCC
    NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O; O=
    C(O)C(NC(=O)C)CCCNCc1c(cnc(c1O)C)COP(=O)
    (O)O; CC(=O)N[C@@H](CCCNCc1c(O)c(C)ncc1C
    O[P](O)(O)=O)C(O)=O    		 N~2~-ACETYL-N~5~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-ORNITHINE
    33395
    POJ
    CHEMBL5090401    		 1 C23 H27 F3 N4 O4 S InChI=1S/C23H27F3N4O4S/c2
    4-23(25,26)17-3-5-18(6-4-
    17)27-22(31)28-19-7-9-21(
    10-8-19)35(32,33)30-11-1-
    2-20(30)16-29-12-14-34-15
    -13-29/h3-10,20H,1-2,11-1
    6H2,(H2,27,28,31)/t20-/m0
    /s1;
    ZPMULUKHFNMJPF-FQEVSTJZSA-N    		 FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)[S](=O)(=
    O)N3CCC[C@H]3CN4CCOCC4)cc1; c1cc(ccc1C(F
    )(F)F)NC(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCC3C
    N4CCOCC4; FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2
    )[S](=O)(=O)N3CCC[CH]3CN4CCOCC4)cc1; c2(
    ccc(NC(Nc1ccc(cc1)C(F)(F)F)=O)cc2)S(N4CC
    CC4CN3CCOCC3)(=O)=O; c1cc(ccc1C(F)(F)F)N
    C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCC[C@H]3CN4C
    COCC4    		 N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea
    33396
    POK    		 0 C8 H16 N4 O4 InChI=1S/C8H16N4O4/c9-5(7
    (15)16)2-1-3-11-8(10)12-4
    -6(13)14/h5H,1-4,9H2,(H,1
    3,14)(H,15,16)(H3,10,11,1
    2)/t5-/m0/s1;
    AZYVWHCRKHJLRB-YFKPBYRVSA-N    		 [H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCC(=O)O;
    N[CH](CCCNC(=N)NCC(O)=O)C(O)=O; N[C@@H](
    CCCNC(=N)NCC(O)=O)C(O)=O; C(CC(C(=O)O)N)
    CNC(=N)NCC(=O)O    		 2-[[~{N}-[(4~{S})-4-azanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]ethanoic acid
    33397
    POL
    CHEMBL14687
    DB03175
    ZINC000000895969    		 78 C3 H8 O InChI=1S/C3H8O/c1-2-3-4/h
    4H,2-3H2,1H3;
    BDERNNFJNOPAEC-UHFFFAOYSA-N    		 CCCO; OCCC N-PROPANOL;
    1-PROPONOL
    33398
    POM    		 0 C6 H9 N O3 InChI=1S/C6H9NO3/c1-3-5(8
    )2-4(7-3)6(9)10/h3-4,7H,2
    H2,1H3,(H,9,10)/t3-,4-/m0
    /s1;
    QQBMOLVYWYXMIA-IMJSIDKUSA-N    		 CC1C(=O)CC(N1)C(=O)O; O=C1C(NC(C(=O)O)C1
    )C; C[C@H]1C(=O)C[C@H](N1)C(=O)O; C[CH]1
    N[CH](CC1=O)C(O)=O; C[C@@H]1N[C@@H](CC1=
    O)C(O)=O    		 CIS-5-METHYL-4-OXOPROLINE
    33399
    PON    		 2 H3 N O6 P2 InChI=1S/H4NO6P2/c1-8(2,3
    )7-9(4,5)6/h(H4-,1,2,3,4,
    5,6)/q-1/p-1;
    VYBCVOULKDXKCH-UHFFFAOYSA-M    		 N=[P@@](O)([O-])O[P@](=O)(O)[O-]; O[P@@]
    ([O-])(=N)O[P](O)([O-])=O; N=P(O)([O-])O
    P(=O)(O)[O-]; O[P]([O-])(=N)O[P](O)([O-]
    )=O    		 IMIDO DIPHOSPHATE
    33400
    POO
    ZINC000013646579    		 1 C31 H39 N3 O3 InChI=1S/C31H39N3O3/c1-32
    -17-9-10-22(19-32)20-33(2
    )28(35)21-34-27-18-25(31(
    36)37)15-16-26(27)29(23-1
    1-5-3-6-12-23)30(34)24-13
    -7-4-8-14-24/h4,7-8,13-16
    ,18,22-23H,3,5-6,9-12,17,
    19-21H2,1-2H3,(H,36,37)/t
    22-/m1/s1;
    AWVLDLUQVKNAMT-JOCHJYFZSA-N    		 C[N@]1CCC[C@H](C1)CN(C)C(=O)Cn2c3cc(ccc3
    c(c2c4ccccc4)C5CCCCC5)C(=O)O; CN1CCC[C@H
    ](C1)CN(C)C(=O)Cn2c3cc(ccc3c(C4CCCCC4)c2
    c5ccccc5)C(O)=O; CN1CCC[CH](C1)CN(C)C(=O
    )Cn2c3cc(ccc3c(C4CCCCC4)c2c5ccccc5)C(O)=
    O; O=C(O)c1ccc3c(c1)n(c(c2ccccc2)c3C4CCC
    CC4)CC(=O)N(CC5CCCN(C)C5)C; CN1CCCC(C1)C
    N(C)C(=O)Cn2c3cc(ccc3c(c2c4ccccc4)C5CCCC
    C5)C(=O)O    		 3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-3-YL)METHYL]AMINO}-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID
    Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).