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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    32001
    P9M
    CHEMBL2181721
    ZINC000064837476    		 3 C17 H22 N2 O3 S InChI=1S/C17H22N2O3S/c1-1
    1-8-9-14(17-12(2)18-22-13
    (17)3)10-16(11)23(20,21)1
    9-15-6-4-5-7-15/h8-10,15,
    19H,4-7H2,1-3H3;
    YTFPNQZFSVSZGW-UHFFFAOYSA-N    		 Cc1onc(C)c1c2ccc(C)c(c2)[S](=O)(=O)NC3CC
    CC3; Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc
    3C)C; O=S(=O)(c2cc(c1c(onc1C)C)ccc2C)NC3
    CCCC3    		 N-cyclopentyl-5-(3,5-dimethylisoxazol-4-yl)-2-methylbenzenesulfonamide
    32002
    P9N
    CHEMBL210952
    DB12308
    ZINC000003800039    		 18 C21 H34 O2 InChI=1S/C21H34O2/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/h14-19,23
    H,4-12H2,1-3H3/t14-,15-,1
    6+,17-,18+,19+,20+,21-/m1
    /s1;
    AURFZBICLPNKBZ-YZRLXODZSA-N    		 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H
    ]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C; CC(=O
    )[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(
    C)[CH]3CC[C]12C; CC(=O)C1CCC2C1(CCC3C2CC
    C4C3(CCC(C4)O)C)C; CC(=O)[C@H]1CC[C@H]2[
    C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3
    CC[C@]12C    		 Pregnanolone;
    (3alpha,5beta)-3-Hydroxypregnan-20-one
    32003
    P9O    		 3 C18 H18 Cl N3 O2 InChI=1S/C18H18ClN3O2/c19
    -12-1-2-17-14(7-12)13(4-6
    -24-17)18(23)22-16-10-21-
    8-11-3-5-20-9-15(11)16/h1
    -2,7-8,10,13,20H,3-6,9H2,
    (H,22,23)/t13-/m1/s1;
    MLMSDXNATONIOS-CYBMUJFWSA-N    		 c1cc2c(cc1Cl)C(CCO2)C(=O)Nc3cncc4c3CNCC4
    ; Clc1ccc2OCC[CH](C(=O)Nc3cncc4CCNCc34)c
    2c1; c1cc2c(cc1Cl)[C@@H](CCO2)C(=O)Nc3cn
    cc4c3CNCC4; Clc1ccc2OCC[C@@H](C(=O)Nc3cn
    cc4CCNCc34)c2c1; Clc1ccc2OCCC(c2c1)C(=O)
    Nc1cncc2CCNCc21    		 (4R)-6-chloro-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    32004
    P9P
    CHEMBL150824
    ZINC000012358970    		 19 C6 H4 Cl N O3 InChI=1S/C6H4ClNO3/c7-5-3
    -4(8(10)11)1-2-6(5)9/h1-3
    ,9H;
    BOFRXDMCQRTGII-UHFFFAOYSA-N    		 c1cc(c(cc1N(=O)=O)Cl)O; Oc1ccc(cc1Cl)[N]
    (=O)=O    		 2-chloranyl-4-nitro-phenol
    32005
    P9Q    		 2 C15 H32 N2 O4 InChI=1S/C15H32N2O4/c16-7
    -5-3-1-2-4-6-8-17-12-9-13
    (19)15(21)14(20)11(12)10-
    18/h11-15,17-21H,1-10,16H
    2/t11-,12+,13-,14+,15+/m0
    /s1;
    HEJOCOWXPPQFHY-XPABHHOTSA-N    		 C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)
    CO)NCCCCCCCCN; NCCCCCCCCN[CH]1C[CH](O)[C
    H](O)[CH](O)[CH]1CO; C1C(C(C(C(C1O)O)O)C
    O)NCCCCCCCCN; NCCCCCCCCN[C@@H]1C[C@H](O)
    [C@@H](O)[C@H](O)[C@H]1CO    		 (1~{S},2~{R},3~{R},4~{R},5~{R})-5-(8-azanyloctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol
    32006
    P9R    		 1 C25 H42 N3 O8 S InChI=1S/C25H40N3O8S/c1-1
    5(2)10-20(28-25(32)36-14-
    19-12-18(19)11-16-6-4-3-5
    -7-16)23(30)27-21(24(31)3
    7(33,34)35)13-17-8-9-26-2
    2(17)29/h9,15-21,24,31H,3
    -8,10-14H2,1-2H3,(H2-2,27
    ,28,30,32,33,34,35)/q-1/p
    +2/t17-,18-,19+,20-,21-,2
    4+/m0/s1;
    UNYDBHQZGVQZAY-KAXVZBFOSA-P    		 CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1
    =O)[C@H](O)[S+](=O)(O)O)NC(=O)OC[C@H]2C[
    C@@H]2CC3CCCCC3; CC(C)C[C@H](NC(=O)OC[C@
    H]1C[C@@H]1CC2CCCCC2)C(=O)N[C@@H](C[C@@H
    ]3CC=NC3=O)[C@H](O)[S+](O)(O)=O; CC(C)CC
    (C(=O)NC(CC1CC=NC1=O)C(O)[S+](=O)(O)O)NC
    (=O)OCC2CC2CC3CCCCC3; CC(C)C[CH](NC(=O)O
    C[CH]1C[CH]1CC2CCCCC2)C(=O)N[CH](C[CH]3C
    C=NC3=O)[CH](O)[S+](O)(O)=O    		 [(1~{S},2~{S})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
    32007
    P9S    		 0 C6 H13 N O4 S InChI=1S/C6H13NO4S/c7-5(6
    (10)11)3-12-2-4(9)1-8/h4-
    5,8-9H,1-3,7H2,(H,10,11)/
    t4-,5+/m1/s1;
    GPWYBXDQHZIBPR-UHNVWZDZSA-N    		 C(C(CSCC(C(=O)O)N)O)O; N[CH](CSC[CH](O)C
    O)C(O)=O; N[C@@H](CSC[C@H](O)CO)C(O)=O;
    C([C@H](CSC[C@@H](C(=O)O)N)O)O    		 dihydroxypropylcysteine
    32008
    P9T
    CHEMBL4533674
    ZINC000621478413    		 3 C10 H7 F2 O5 P InChI=1S/C10H7F2O5P/c11-6
    -2-7(12)10-5(4-18(14,15)1
    6)1-9(13)17-8(10)3-6/h1-3
    H,4H2,(H2,14,15,16);
    RMYHVOFFXNNDCT-UHFFFAOYSA-N    		 C2(=O)C=C(CP(=O)(O)O)c1c(cc(cc1F)F)O2; O
    [P](O)(=O)CC1=CC(=O)Oc2cc(F)cc(F)c12; c1
    c(cc(c2c1OC(=O)C=C2CP(=O)(O)O)F)F    		 [(5,7-difluoro-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
    32009
    P9U    		 1 C41 H44 Cl N3 O6 InChI=1S/C41H44ClN3O6/c42
    -34-27-33(21-22-35(34)43-
    38(46)32(23-28-13-5-1-6-1
    4-28)24-29-15-7-2-8-16-29
    )51-41(50)45-36(25-30-17-
    9-3-10-18-30)39(47)44-37(
    40(48)49)26-31-19-11-4-12
    -20-31/h1-2,4-8,11-16,19-
    22,27,30,32,36-37H,3,9-10
    ,17-18,23-26H2,(H,43,46)(
    H,44,47)(H,45,50)(H,48,49
    )/t36-,37-/m0/s1;
    YPHQKMBBCYVKBP-BCRBLDSWSA-N    		 c1ccc(cc1)CC(Cc2ccccc2)C(=O)Nc3ccc(cc3Cl
    )OC(=O)NC(CC4CCCCC4)C(=O)NC(Cc5ccccc5)C(
    =O)O; OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](
    CC2CCCCC2)NC(=O)Oc3ccc(NC(=O)C(Cc4ccccc4
    )Cc5ccccc5)c(Cl)c3; c1ccc(cc1)C[C@@H](C(
    =O)O)NC(=O)[C@H](CC2CCCCC2)NC(=O)Oc3ccc(
    c(c3)Cl)NC(=O)C(Cc4ccccc4)Cc5ccccc5; OC(
    =O)[CH](Cc1ccccc1)NC(=O)[CH](CC2CCCCC2)N
    C(=O)Oc3ccc(NC(=O)C(Cc4ccccc4)Cc5ccccc5)
    c(Cl)c3    		 (2S)-2-[[(2S)-2-[[3-chloranyl-4-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]phenoxy]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid;
    (2~{S})-2-[[(2~{S})-2-[[3-chloranyl-4-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]phenoxy]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid
    32010
    P9V    		 2 C8 H17 N O3 S InChI=1S/C8H17NO3S/c1-13-
    3-2-5-7(11)8(12)6(10)4-9-
    5/h5-12H,2-4H2,1H3/t5-,6-
    ,7+,8+/m1/s1;
    ZTGUKWHBLOJEPU-NGJRWZKOSA-N    		 CSCCC1C(C(C(CN1)O)O)O; CSCC[CH]1NC[CH](O
    )[CH](O)[CH]1O; CSCC[C@H]1NC[C@@H](O)[C@
    H](O)[C@H]1O; CSCC[C@@H]1[C@@H]([C@H]([C
    @@H](CN1)O)O)O; CSCCC1NCC(C(C1O)O)O    		 (2R,3S,4S,5R)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol
    32011
    P9X
    ZINC000000000010    		 3 C12 H10 O4 InChI=1S/C12H10O4/c1-12(8
    -5-3-2-4-6-8)10(13)7-9(16
    -12)11(14)15/h2-7H,1H3,(H
    ,14,15)/t12-/m0/s1;
    DFDGRKNOFOJBAJ-LBPRGKRZSA-N    		 CC1(C(=O)C=C(O1)C(=O)O)c2ccccc2; C[C@]1(
    OC(=CC1=O)C(O)=O)c2ccccc2; C[C@@]1(C(=O)
    C=C(O1)C(=O)O)c2ccccc2; C[C]1(OC(=CC1=O)
    C(O)=O)c2ccccc2    		 (5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid;
    Acifran
    32012
    P9Y
    CHEMBL2285864
    ZINC000016662291    		 1 C12 H13 Cl N2 O InChI=1S/C12H13ClN2O/c13-
    11-2-4-12(5-3-11)16-9-1-7
    -15-8-6-14-10-15/h2-6,8,1
    0H,1,7,9H2;
    SKSDKBJVBWKTMH-UHFFFAOYSA-N    		 c1cc(ccc1OCCCn2ccnc2)Cl; c1(ccc(cc1)Cl)O
    CCCn2ccnc2; Clc1ccc(OCCCn2ccnc2)cc1    		 1-[3-(4-chlorophenoxy)propyl]-1H-imidazole
    32013
    PA0
    CHEMBL477683    		 3 C6 H5 As O InChI=1S/C6H5AsO/c8-7-6-4
    -2-1-3-5-6/h1-5H;
    BQVCCPGCDUSGOE-UHFFFAOYSA-N    		 c1ccc(cc1)[As]=O; O=[As]c1ccccc1 Phenylarsine oxide;
    oxo(phenyl)arsane
    32014
    PA1
    CHEMBL606759
    ZINC000003860469    		 8 C6 H13 N O5 InChI=1S/C6H13NO5/c7-3-5(
    10)4(9)2(1-8)12-6(3)11/h2
    -6,8-11H,1,7H2/t2-,3-,4-,
    5-,6+/m1/s1;
    MSWZFWKMSRAUBD-UKFBFLRUSA-N    		 N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H
    ]1O; N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
    ; C(C1C(C(C(C(O1)O)N)O)O)O; C([C@@H]1[C@
    H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O; OC1C
    (O)C(OC(O)C1N)CO    		 2-amino-2-deoxy-alpha-D-glucopyranose;
    alpah-D-glucosamine;
    2-amino-2-deoxy-alpha-D-glucose;
    2-amino-2-deoxy-D-glucose;
    2-amino-2-deoxy-glucose
    32015
    PA2    		 0 C6 H14 N2 O2 InChI=1S/C6H14N2O2/c7-3-1
    -4(8)6(10)5(9)2-3/h3-6,9-
    10H,1-2,7-8H2/t3-,4+,5-,6
    -/m0/s1;
    QOLDZWBHLDQIJR-FSIIMWSLSA-N    		 C1C(CC(C(C1N)O)O)N; N[CH]1C[CH](N)[CH](O
    )[CH](O)C1; N[C@H]1C[C@@H](N)[C@H](O)[C@
    @H](O)C1; OC1CC(N)CC(N)C1O; C1[C@@H](C[C
    @@H]([C@H]([C@@H]1N)O)O)N    		 PAROMOMYCIN (RING 2)
    32016
    PA3    		 0 C5 H10 O3 InChI=1S/C5H10O3/c6-2-5-1
    -4(7)3-8-5/h4-7H,1-3H2/t4
    -,5+/m1/s1;
    WDMXOLOBWMBITN-UHNVWZDZSA-N    		 OC[C@@H]1C[C@@H](O)CO1; C1[C@H](CO[C@@H]
    1CO)O; OCC1OCC(O)C1; C1C(COC1CO)O; OC[CH
    ]1C[CH](O)CO1    		 PAROMOMYCIN (RING 3)
    32017
    PA4    		 0 C6 H14 N2 O4 InChI=1/C6H14N2O4/c7-1-2-
    4(9)5(10)3(8)6(11)12-2/h2
    -6,9-11H,1,7-8H2/t2-,3+,4
    +,5+,6-/m0/s1;
    SQTHUUHOUPJYLK-BSQWINAVBJ    		 C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)
    O)O)N; NC[CH]1O[CH](O)[CH](N)[CH](O)[CH]
    1O; C(C1C(C(C(C(O1)O)N)O)O)N; NC[C@@H]1O
    [C@H](O)[C@H](N)[C@@H](O)[C@@H]1O; OC1C(
    O)C(OC(O)C1N)CN    		 PAROMOMYCIN (RING 4)
    32018
    PA5
    DB03042    		 19 C5 H11 O9 P InChI=1S/C5H11O9P/c6-2(1-
    14-15(11,12)13)3(7)4(8)5(
    9)10/h2-4,6-8H,1H2,(H,9,1
    0)(H2,11,12,13)/t2-,3-,4+
    /m1/s1;
    HNECGPFIYSOYHF-JJYYJPOSSA-N    		 O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)C(
    O)=O; O=P(O)(O)OCC(O)C(O)C(O)C(=O)O; C([
    C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)
    O; O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C(O
    )=O; C(C(C(C(C(=O)O)O)O)O)OP(=O)(O)O    		 5-PHOSPHOARABINONIC ACID
    32019
    PA6
    DB08367
    ZINC000005972939    		 7 C9 H17 O8 P InChI=1S/C9H17O8P/c1-2-3-
    4-9(11)15-5-8(16-7-10)6-1
    7-18(12,13)14/h7-8H,2-6H2
    ,1H3,(H2,12,13,14)/t8-/m1
    /s1;
    JDTMNMAQWVSSOO-MRVPVSSYSA-N    		 O=P(O)(OCC(OC=O)COC(=O)CCCC)O; CCCCC(=O)
    OC[CH](CO[P](O)(O)=O)OC=O; CCCCC(=O)OCC(
    COP(=O)(O)O)OC=O; CCCCC(=O)OC[C@H](COP(=
    O)(O)O)OC=O; CCCCC(=O)OC[C@H](CO[P](O)(O
    )=O)OC=O    		 (R)-2-(FORMYLOXY)-3-(PHOSPHONOOXY)PROPYL PENTANOATE;
    PHOSPHATIDIC ACID
    32020
    PA7
    CHEMBL1235128    		 4 C13 H18 N6 O4 InChI=1S/C13H18N6O4/c1-2-
    3-15-12(22)9-7(20)8(21)13
    (23-9)19-5-18-6-10(14)16-
    4-17-11(6)19/h4-5,7-9,13,
    20-21H,2-3H2,1H3,(H,15,22
    )(H2,14,16,17)/t7-,8+,9-,
    13+/m0/s1;
    UQGKLARJCHZHSS-QRIDJOKKSA-N    		 CCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2
    cnc3c2ncnc3N)O)O; CCCNC(=O)C1C(C(C(O1)n2
    cnc3c2ncnc3N)O)O; CCCNC(=O)[C@H]1O[C@H](
    [C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; O=C(N
    CCC)C3OC(n2cnc1c(ncnc12)N)C(O)C3O; CCCNC
    (=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)n
    cnc23    		 N-PROPYL CARBOXYAMIDO ADENOSINE
    32021
    PA8    		 0 C19 H36 O8 P InChI=1S/C19H37O8P/c1-3-5
    -7-9-11-13-18(20)25-15-17
    (16-26-28(22,23)24)27-19(
    21)14-12-10-8-6-4-2/h17H,
    3-16H2,1-2H3,(H2,22,23,24
    )/p-1/t17-/m1/s1;
    XYSBQYUENLDGMI-QGZVFWFLSA-M    		 CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])O
    C(=O)CCCCCCC; CCCCCCCC(=O)OC[CH](CO[P](O
    )([O-])=O)OC(=O)CCCCCCC; CCCCCCCC(=O)OC[
    C@H](CO[P](O)([O-])=O)OC(=O)CCCCCCC; CCC
    CCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCC
    C; O=P([O-])(O)OCC(OC(=O)CCCCCCC)COC(=O)
    CCCCCCC    		 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE
    32022
    PA9
    ZINC000058638599    		 4 C9 H17 N2 O7 P InChI=1S/C9H17N2O7P/c1-6(
    12)11-7(9(14)15)3-2-4-10-
    8(13)5-19(16,17)18/h7H,2-
    5H2,1H3,(H,10,13)(H,11,12
    )(H,14,15)(H2,16,17,18)/t
    7-/m0/s1;
    KUGZSRGMHASJIM-ZETCQYMHSA-N    		 CC(=O)NC(CCCNC(=O)CP(=O)(O)O)C(=O)O; O=C
    (NCCCC(C(=O)O)NC(=O)C)CP(=O)(O)O; CC(=O)
    N[CH](CCCNC(=O)C[P](O)(O)=O)C(O)=O; CC(=
    O)N[C@@H](CCCNC(=O)C[P](O)(O)=O)C(O)=O;
    CC(=O)N[C@@H](CCCNC(=O)CP(=O)(O)O)C(=O)O    		 N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine
    32023
    PAB
    CHEMBL542
    DB02362
    ZINC000000000920    		 35 C7 H7 N O2 InChI=1S/C7H7NO2/c8-6-3-1
    -5(2-4-6)7(9)10/h1-4H,8H2
    ,(H,9,10);
    ALYNCZNDIQEVRV-UHFFFAOYSA-N    		 Nc1ccc(cc1)C(O)=O; O=C(O)c1ccc(N)cc1; c1
    cc(ccc1C(=O)O)N    		 4-AMINOBENZOIC ACID
    32024
    PAC
    CHEMBL1044
    DB09269
    ZINC000000388462    		 12 C8 H8 O2 InChI=1S/C8H8O2/c9-8(10)6
    -7-4-2-1-3-5-7/h1-5H,6H2,
    (H,9,10);
    WLJVXDMOQOGPHL-UHFFFAOYSA-N    		 c1ccc(cc1)CC(=O)O; OC(=O)Cc1ccccc1; O=C(
    O)Cc1ccccc1    		 2-PHENYLACETIC ACID
    32025
    PAD
    CHEMBL1235132
    DB04071
    ZINC000049771447    		 3 C21 H27 N7 O14 P2 InChI=1S/C21H27N7O14P2/c2
    2-18-12-20(25-6-24-18)28(
    7-26-12)21-16(32)14(30)11
    (41-21)5-39-44(36,37)42-4
    3(34,35)38-4-10-13(29)15(
    31)17(40-10)8-2-1-3-9(27-
    8)19(23)33/h1-3,6-7,10-11
    ,13-17,21,29-32H,4-5H2,(H
    2,23,33)(H,34,35)(H,36,37
    )(H2,22,24,25)/t10-,11-,1
    3-,14-,15-,16-,17+,21-/m1
    /s1;
    LFERELMXERXKKQ-KMXXXSRASA-N    		 NC(=O)c1cccc([nH+]1)[CH]2O[CH](CO[P]([O-
    ])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH
    ]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O; NC(=
    O)c1cccc([nH+]1)[C@@H]2O[C@H](CO[P]([O-]
    )(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[
    C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2
    O; c1cc([nH+]c(c1)C(=O)N)C2C(C(C(O2)COP(
    =O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4n
    cnc5N)O)O)O)O; c1cc([nH+]c(c1)C(=O)N)[C@
    H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O
    [P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](
    O3)n4cnc5c4ncnc5N)O)O)O)O    		 5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLEOTIDE;
    CPAD
    32026
    PAE
    CHEMBL50300
    DB02823
    ZINC000003869741    		 82 C2 H5 O5 P InChI=1S/C2H5O5P/c3-2(4)1
    -8(5,6)7/h1H2,(H,3,4)(H2,
    5,6,7);
    XUYJLQHKOGNDPB-UHFFFAOYSA-N    		 C(C(=O)O)P(=O)(O)O; O=C(O)CP(=O)(O)O; OC
    (=O)C[P](O)(O)=O    		 PHOSPHONOACETIC ACID
    32027
    PAF
    DB01930    		 20 C6 H11 O4 InChI=1S/C6H12O4/c1-6(2,3
    -7)4(8)5(9)10/h4,7-8H,3H2
    ,1-2H3,(H,9,10)/p-1/t4-/m
    0/s1;
    OTOIIPJYVQJATP-BYPYZUCNSA-M    		 CC(C)(CO)[CH](O)C([O-])=O; CC(C)(CO)C(C(
    =O)[O-])O; CC(C)(CO)[C@H](C(=O)[O-])O; C
    C(C)(CO)[C@@H](O)C([O-])=O; O=C([O-])C(O
    )C(C)(C)CO    		 PANTOATE;
    2,4-DIHYDROXY-3,3-DIMETHYL-BUTYRATE
    32028
    PAG    		 0 C3 H7 O7 P InChI=1/C3H7O7P/c4-1-2(3(
    5)6)10-11(7,8)9/h2,4H,1H2
    ,(H,5,6)(H2,7,8,9)/t2-/m1
    /s1/f/h5,7-8H;
    GXIURPTVHJPJLF-SFISFHFCDD    		 C(C(C(=O)O)OP(=O)(O)O)O; O=P(O)(O)OC(C(=
    O)O)CO; C([C@H](C(=O)O)OP(=O)(O)O)O; OC[
    C@@H](O[P](O)(O)=O)C(O)=O; OC[CH](O[P](O
    )(O)=O)C(O)=O    		 2-PHOSPHO-D-GLYCERIC ACID
    32029
    PAH
    CHEMBL328944
    DB03645
    ZINC000005828202    		 11 C2 H6 N O5 P InChI=1S/C2H6NO5P/c4-2(3-
    5)1-9(6,7)8/h5H,1H2,(H,3,
    4)(H2,6,7,8);
    LDKRAXXVBWHMRH-UHFFFAOYSA-N    		 O=C(NO)CP(=O)(O)O; ONC(=O)C[P](O)(O)=O;
    C(C(=O)NO)P(=O)(O)O    		 PHOSPHONOACETOHYDROXAMIC ACID
    32030
    PAI
    DB02433
    ZINC000033821456    		 3 C9 H23 N O13 P2 InChI=1S/C9H23NO13P2/c11-
    5(1-10(2-7(13)14)4-24(17,
    18)19)8(15)9(16)6(12)3-23
    -25(20,21)22/h5-9,11-16H,
    1-4H2,(H2,17,18,19)(H2,20
    ,21,22)/t5-,6-,8-,9-/m1/s
    1;
    ATILYNKCRYHYEP-SQEXRHODSA-N    		 OC(O)CN(C[C@@H](O)[C@@H](O)[C@H](O)[C@H]
    (O)CO[P](O)(O)=O)C[P](O)(O)=O; C([C@H]([
    C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)[
    N@](CC(O)O)CP(=O)(O)O; O=P(O)(O)OCC(O)C(
    O)C(O)C(O)CN(CC(O)O)CP(=O)(O)O; C(C(C(C(
    C(COP(=O)(O)O)O)O)O)O)N(CC(O)O)CP(=O)(O)
    O; OC(O)CN(C[CH](O)[CH](O)[CH](O)[CH](O)
    CO[P](O)(O)=O)C[P](O)(O)=O    		 {[(2,2-DIHYDROXY-ETHYL)-(2,3,4,5-TETRAHYDROXY-6-PHOSPHONOOXY-HEXYL)-AMINO]-METHYL}-PHOSPHONIC ACID
    32031
    PAJ
    DB02694
    ZINC000015779814    		 6 C16 H24 N5 O10 P InChI=1S/C16H24N5O10P/c1-
    16(2,4-22)11(25)15(26)31-
    32(27,28)29-3-7-9(23)10(2
    4)14(30-7)21-6-20-8-12(17
    )18-5-19-13(8)21/h5-7,9-1
    1,14,22-25H,3-4H2,1-2H3,(
    H,27,28)(H2,17,18,19)/t7-
    ,9-,10-,11+,14-/m1/s1;
    GDPVENOGSVMRJL-FSRKKXLISA-N    		 CC(C)(CO)[C@H](C(=O)O[P@](=O)(O)OC[C@@H]
    1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)
    O)O; CC(C)(CO)[CH](O)C(=O)O[P](O)(=O)OC[
    CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
    ; O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C
    (O)C3O)C(O)C(C)(C)CO; CC(C)(CO)[C@@H](O)
    C(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O
    )[C@@H]1O)n2cnc3c(N)ncnc23; CC(C)(CO)C(C
    (=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N
    )O)O)O    		 PANTOYL ADENYLATE
    32032
    PAK
    CHEMBL299756
    ZINC000001863090    		 0 C17 H11 N3 O InChI=1S/C17H11N3O/c18-9-
    10-5-6-15-12(7-10)13-8-16
    (21)19-14-4-2-1-3-11(14)1
    7(13)20-15/h1-7,20H,8H2,(
    H,19,21);
    LBVIZFWUIQSZHP-UHFFFAOYSA-N    		 N#Cc4cc1c(nc2c1CC(=O)Nc3ccccc23)cc4; O=C
    1Cc2c([nH]c3ccc(cc23)C#N)c4ccccc4N1; c1c
    cc2c(c1)-c3c(c4cc(ccc4[nH]3)C#N)CC(=O)N2    		 9-CYANO PAULLONE
    32033
    PAL
    CHEMBL504802
    DB03459
    ZINC000001563934    		 94 C6 H10 N O8 P InChI=1S/C6H10NO8P/c8-4(2
    -16(13,14)15)7-3(6(11)12)
    1-5(9)10/h3H,1-2H2,(H,7,8
    )(H,9,10)(H,11,12)(H2,13,
    14,15)/t3-/m0/s1;
    ZZKNRXZVGOYGJT-VKHMYHEASA-N    		 OC(=O)C[CH](NC(=O)C[P](O)(O)=O)C(O)=O; O
    C(=O)C[C@H](NC(=O)C[P](O)(O)=O)C(O)=O; O
    =C(NC(C(=O)O)CC(=O)O)CP(=O)(O)O; C(C(C(=
    O)O)NC(=O)CP(=O)(O)O)C(=O)O; C([C@@H](C(
    =O)O)NC(=O)CP(=O)(O)O)C(=O)O    		 N-(PHOSPHONACETYL)-L-ASPARTIC ACID
    32034
    PAM
    CHEMBL453509
    DB04257
    ZINC000008221009    		 24 C16 H30 O2 InChI=1S/C16H30O2/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16(17)18/h7-8H,2-6,9
    -15H2,1H3,(H,17,18)/b8-7-;
    SECPZKHBENQXJG-FPLPWBNLSA-N    		 CCCCCC\C=C/CCCCCCCC(=O)O; O=C(O)CCCCCCC\
    C=C/CCCCCC; CCCCCCC=CCCCCCCCC(O)=O; CCCC
    CCC=CCCCCCCCC(=O)O; CCCCCC\C=C/CCCCCCCC(
    O)=O    		 PALMITOLEIC ACID
    32035
    PAN
    CHEMBL1235136
    DB02093
    ZINC000005830355    		 4 C5 H12 N O9 P InChI=1S/C5H12NO9P/c7-2(1
    -15-16(12,13)14)3(8)4(9)5
    (10)6-11/h2-4,7-9,11H,1H2
    ,(H,6,10)(H2,12,13,14)/t2
    -,3-,4+/m1/s1;
    OHQFMJPEBPCIEQ-JJYYJPOSSA-N    		 ONC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=
    O; ONC(=O)[C@@H](O)[C@H](O)[C@H](O)CO[P]
    (O)(O)=O; O=P(O)(O)OCC(O)C(O)C(O)C(=O)NO
    ; C(C(C(C(C(=O)NO)O)O)O)OP(=O)(O)O; C([C
    @H]([C@H]([C@@H](C(=O)NO)O)O)O)OP(=O)(O)
    O    		 5-PHOSPHO-D-ARABINOHYDROXAMIC ACID
    32036
    PAO
    CHEMBL1160567
    DB02011    		 23 C7 H15 N2 O6 P InChI=1S/C7H15N2O6P/c8-5(
    7(11)12)2-1-3-9-6(10)4-16
    (13,14)15/h5H,1-4,8H2,(H,
    9,10)(H,11,12)(H2,13,14,1
    5)/t5-/m0/s1;
    FCIHAQFHXJOLIF-YFKPBYRVSA-N    		 N[CH](CCCNC(=O)C[P](O)(O)=O)C(O)=O; C(C[
    C@@H](C(=O)O)N)CNC(=O)CP(=O)(O)O; C(CC(C
    (=O)O)N)CNC(=O)CP(=O)(O)O; N[C@@H](CCCNC
    (=O)C[P](O)(O)=O)C(O)=O; O=C(NCCCC(C(=O)
    O)N)CP(=O)(O)O    		 N-(PHOSPHONOACETYL)-L-ORNITHINE
    32037
    PAP
    DB01842
    ZINC000013527438    		 19 C10 H16 N5 O13 P3 InChI=1S/C10H16N5O13P3/c1
    1-8-5-9(13-2-12-8)15(3-14
    -5)10-6(16)7(27-29(17,18)
    19)4(26-10)1-25-31(23,24)
    28-30(20,21)22/h2-4,6-7,1
    0,16H,1H2,(H,23,24)(H2,11
    ,12,13)(H2,17,18,19)(H2,2
    0,21,22)/t4-,6-,7-,10-/m1
    /s1;
    GBBWIZKLHXYJOA-KQYNXXCUSA-N    		 O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)
    N)C(O)C3OP(=O)(O)O; Nc1ncnc2n(cnc12)[CH]
    3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O[P
    ](O)(O)=O)[CH]3O; c1nc(c2c(n1)n(cn2)C3C(
    C(C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)O
    )N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H
    ]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)OP(=
    O)(O)O)O)N; Nc1ncnc2n(cnc12)[C@@H]3O[C@H
    ](CO[P@](O)(=O)O[P](O)(O)=O)[C@@H](O[P](
    O)(O)=O)[C@H]3O    		 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE
    32038
    PAQ
    DB01634
    ZINC000006080317    		 0 C14 H16 N4 O4 InChI=1S/C14H16N4O4/c15-9
    (14(21)22)5-8-6-10(12(20)
    7-11(8)19)17-18-13-3-1-2-
    4-16-13/h1-4,6-9,17,20H,5
    ,15H2,(H,16,18)(H,21,22)/
    t8-,9+/m1/s1;
    AZUQIXJQZOMXAS-BDAKNGLRSA-N    		 c1ccnc(c1)NNC2=CC(C(=O)C=C2O)CC(C(=O)O)N
    ; N[CH](C[CH]1C=C(NNc2ccccn2)C(=CC1=O)O)
    C(O)=O; N[C@@H](C[C@@H]1C=C(NNc2ccccn2)C
    (=CC1=O)O)C(O)=O; c1ccnc(c1)NNC2=CC(C(=O
    )C=C2O)C[C@@H](C(=O)O)N; O=C(O)C(N)CC2C=
    C(NNc1ncccc1)C(O)=CC2=O    		 2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE
    32039
    PAR
    CHEMBL370143
    DB01421
    ZINC000060183170    		 29 C23 H45 N5 O14 InChI=1S/C23H45N5O14/c24-
    2-7-13(32)15(34)10(27)21(
    37-7)41-19-9(4-30)39-23(1
    7(19)36)42-20-12(31)5(25)
    1-6(26)18(20)40-22-11(28)
    16(35)14(33)8(3-29)38-22/
    h5-23,29-36H,1-4,24-28H2/
    t5-,6+,7+,8-,9-,10-,11-,1
    2+,13-,14-,15-,16-,17-,18
    -,19-,20-,21-,22-,23+/m1/
    s1;
    UOZODPSAJZTQNH-LSWIJEOBSA-N    		 C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@
    @H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)
    N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@
    H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)
    N)O)O)N; NC[CH]1O[CH](O[CH]2[CH](O)[CH](
    O[CH]2CO)O[CH]3[CH](O)[CH](N)C[CH](N)[CH
    ]3O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4N)[C
    H](N)[CH](O)[CH]1O; C1C(C(C(C(C1N)OC2C(C
    (C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C
    (C(O4)CN)O)O)N)O)O)N; NC[C@@H]1O[C@H](O[
    C@H]2[C@@H](O)[C@@H](O[C@@H]2CO)O[C@@H]3
    [C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O
    [C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)[C@H](
    N)[C@@H](O)[C@@H]1O; O(C2C(OC1OC(CO)C(O)
    C(O)C1N)C(N)CC(N)C2O)C4OC(C(OC3OC(CN)C(O
    )C(O)C3N)C4O)CO    		 PAROMOMYCIN;
    PAROMOMYCIN I;
    AMMINOSIDIN;
    CATENULIN;
    CRESTOMYCIN;
    MONOMYCIN A;
    NEOMYCIN E
    32040
    PAS    		 0 C4 H8 N O7 P InChI=1/C4H8NO7P/c5-2(4(7
    )8)1-3(6)12-13(9,10)11/h2
    H,1,5H2,(H,7,8)(H2,9,10,1
    1)/t2-/m0/s1/f/h7,9-10H;
    IXZNKTPIYKDIGG-ANURBJKSDQ    		 C(C(C(=O)O)N)C(=O)OP(=O)(O)O; N[CH](CC(=
    O)O[P](O)(O)=O)C(O)=O; O=C(OP(=O)(O)O)CC
    (C(=O)O)N; N[C@@H](CC(=O)O[P](O)(O)=O)C(
    O)=O; C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O    		 2-AMINO-4-OXO-4-PHOSPHONOOXY-BUTYRIC ACID;
    PHOSPHORYLATED ASPARTATE
    32041
    PAT    		 0 C11 H13 N2 O5 P InChI=1S/C11H13N2O5P/c12-
    11(10(14)15,19(16,17)18)5
    -7-6-13-9-4-2-1-3-8(7)9/h
    1-4,6,13H,5,12H2,(H,14,15
    )(H2,16,17,18);
    QNAXJEGUCRQKDR-UHFFFAOYSA-N    		 c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)(N)P(=O)(O
    )O; O=C(O)C(N)(P(=O)(O)O)Cc2c1ccccc1nc2;
    N[C](Cc1c[nH]c2ccccc12)(C(O)=O)[P](O)(O
    )=O; N[C@@](Cc1c[nH]c2ccccc12)(C(O)=O)[P
    ](O)(O)=O; c1ccc2c(c1)c(c[nH]2)C[C@@](C(
    =O)O)(N)P(=O)(O)O    		 ALPHA-PHOSPHONO-TRYPTOPHAN
    32042
    PAU
    CHEMBL1594
    DB01783
    ZINC000005356910    		 49 C9 H17 N O5 InChI=1S/C9H17NO5/c1-9(2,
    5-11)7(14)8(15)10-4-3-6(1
    2)13/h7,11,14H,3-5H2,1-2H
    3,(H,10,15)(H,12,13)/t7-/
    m0/s1;
    GHOKWGTUZJEAQD-ZETCQYMHSA-N    		 CC(C)(CO)C(C(=O)NCCC(=O)O)O; CC(C)(CO)[C
    H](O)C(=O)NCCC(O)=O; CC(C)(CO)[C@@H](O)C
    (=O)NCCC(O)=O; CC(C)(CO)[C@H](C(=O)NCCC(
    =O)O)O; O=C(NCCC(=O)O)C(O)C(C)(C)CO    		 PANTOTHENOIC ACID;
    N-[(2R)-2,4-DIHYDROXY-3,3-DIMETHYLBUTANOYL]-BETA-ALANINE
    32043
    PAV
    CHEMBL1235140
    DB04346    		 10 C5 H10 O5 InChI=1S/C5H10O5/c1-4(7)5
    (8,9)3(6)2-10-4/h3,6-9H,2
    H2,1H3/t3-,4+/m0/s1;
    BVIYGXUQVXBHQS-IUYQGCFVSA-N    		 C[C@@]1(C([C@H](CO1)O)(O)O)O; C[C]1(O)OC
    [CH](O)C1(O)O; C[C@@]1(O)OC[C@H](O)C1(O)
    O; OC1(O)C(O)(OCC1O)C; CC1(C(C(CO1)O)(O)
    O)O    		 (2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran
    32044
    PAW
    CHEMBL138297
    ZINC000019363537    		 0 C8 H23 N5 InChI=1S/C8H23N5/c9-1-3-1
    1-5-7-13-8-6-12-4-2-10/h1
    1-13H,1-10H2;
    FAGUFWYHJQFNRV-UHFFFAOYSA-N    		 C(CNCCNCCNCCN)N; NCCNCCNCCNCCN N-(2-AMINOETHYL)-N'-{2-[(2-AMINOETHYL)AMINO]ETHYL}ETHANE-1,2-DIAMINE;
    N1-{2-[2-(2-AMINO-ETHYLAMINO)-ETHYLAMINO]-ETHYL}-ETHANE-1,2-DIAMINE
    32045
    PAX    		 2 C20 H27 N7 O20 P4 InChI=1S/C20H29N7O20P4/c1
    -8-3-26(20(30)25-18(8)29)
    12-2-9(10(43-12)4-41-48(3
    1,32)33)45-51(39,40)47-50
    (37,38)42-5-11-15(46-49(3
    4,35)36)14(28)19(44-11)27
    -7-24-13-16(21)22-6-23-17
    (13)27/h3,6-7,9-12,14-15,
    19,28H,2,4-5H2,1H3,(H,37,
    38)(H,39,40)(H2,21,22,23)
    (H,25,29,30)(H2,31,32,33)
    (H2,34,35,36)/p-2/t9-,10+
    ,11+,12+,14+,15+,19+/m0/s
    1;
    DQGQNMNTNSHMMC-SLFMBYJQSA-L    		 CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)
    OP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)n4c
    nc5c4ncnc5N)O)OP(=O)(O)O; CC1=CN([CH]2C[
    CH](O[P]([O-])(=O)O[P]([O-])(=O)OC[CH]3O
    [CH]([CH](O)[CH]3O[P](O)(O)=O)n4cnc5c(N)
    ncnc45)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;
    CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O
    2)COP(=O)(O)O)O[P@@](=O)([O-])O[P@@](=O)
    ([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c
    nc5c4ncnc5N)O)OP(=O)(O)O; CC1=CN([C@H]2C
    [C@H](O[P]([O-])(=O)O[P]([O-])(=O)OC[C@H
    ]3O[C@H]([C@H](O)[C@@H]3O[P](O)(O)=O)n4c
    nc5c(N)ncnc45)[C@@H](CO[P](O)(O)=O)O2)C(
    =O)NC1=O    		 5'-PHOSPHOTHYMIDINE (3'-5')-PYROPHOSPHATE ADENOSINE 3'-PHOSPHATE
    32046
    PAY
    DB08368
    ZINC000016052584    		 2 C12 H18 O8 InChI=1S/C12H18O8/c1-6(10
    (15)16)4-8(12(19)20)5-7(1
    1(17)18)2-3-9(13)14/h6-8H
    ,2-5H2,1H3,(H,13,14)(H,15
    ,16)(H,17,18)(H,19,20)/t6
    -,7+,8+/m0/s1;
    UEYGDIASMOPQFG-XLPZGREQSA-N    		 CC(CC(CC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O;
    C[CH](C[CH](C[CH](CCC(O)=O)C(O)=O)C(O)=O
    )C(O)=O; C[C@@H](C[C@H](C[C@@H](CCC(O)=O
    )C(O)=O)C(O)=O)C(O)=O; O=C(O)C(C)CC(C(=O
    )O)CC(C(=O)O)CCC(=O)O; C[C@@H](C[C@H](C[
    C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O    		 OCTANE-1,3,5,7-TETRACARBOXYLIC ACID;
    (3R,5R,7S)-OCTANE-1,3,5,7-TETRACARBOXYLIC ACID
    32047
    PAZ
    DB16966
    ZINC000001529671    		 17 C9 H18 N O8 P InChI=1S/C9H18NO8P/c1-9(2
    ,5-18-19(15,16)17)7(13)8(
    14)10-4-3-6(11)12/h7,13H,
    3-5H2,1-2H3,(H,10,14)(H,1
    1,12)(H2,15,16,17)/t7-/m0
    /s1;
    XHFVGHPGDLDEQO-ZETCQYMHSA-N    		 CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O
    ; CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)O)O;
    CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(O)=
    O; O=P(OCC(C(O)C(=O)NCCC(=O)O)(C)C)(O)O;
    CC(C)(CO[P](O)(O)=O)[C@@H](O)C(=O)NCCC(
    O)=O    		 N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine
    32048
    PB    		 35 Pb InChI=1S/Pb/q+2;
    RVPVRDXYQKGNMQ-UHFFFAOYSA-N    		 [Pb++]; valence; [Pb+2] LEAD (II) ION
    32049
    PB0
    CHEMBL1915990
    ZINC000082140785    		 4 C36 H50 F2 N4 O5 InChI=1S/C36H50F2N4O5/c1-
    5-15-47-29-20-30(39-22-29
    )33(44)31(18-26-16-27(37)
    19-28(38)17-26)40-34(45)3
    2(12-11-25-9-7-6-8-10-25)
    42-14-13-36(35(42)46,21-2
    3(2)3)41-24(4)43/h6-10,16
    -17,19,23,29-33,39,44H,5,
    11-15,18,20-22H2,1-4H3,(H
    ,40,45)(H,41,43)/t29-,30-
    ,31+,32+,33-,36+/m1/s1;
    LPZOLMFQGUDKQH-ZXWXCOCLSA-N    		 CCCO[C@@H]1C[C@@H](NC1)[C@H]([C@H](Cc2cc
    (cc(c2)F)F)NC(=O)[C@H](CCc3ccccc3)N4CC[C
    @@](C4=O)(CC(C)C)NC(=O)C)O; Fc1cc(cc(F)c
    1)CC(NC(=O)C(N2C(=O)C(NC(=O)C)(CC2)CC(C)
    C)CCc3ccccc3)C(O)C4NCC(OCCC)C4; CCCO[C@H
    ]1CN[C@H](C1)[C@@H](O)[C@H](Cc2cc(F)cc(F
    )c2)NC(=O)[C@H](CCc3ccccc3)N4CC[C@@](CC(
    C)C)(NC(C)=O)C4=O; CCCOC1CC(NC1)C(C(Cc2c
    c(cc(c2)F)F)NC(=O)C(CCc3ccccc3)N4CCC(C4=
    O)(CC(C)C)NC(=O)C)O; CCCO[CH]1CN[CH](C1)
    [CH](O)[CH](Cc2cc(F)cc(F)c2)NC(=O)[CH](C
    Cc3ccccc3)N4CC[C](CC(C)C)(NC(C)=O)C4=O    		 (2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propoxypyrrolidin-2-yl]propan-2-yl}-4-phenylbutanamide
    32050
    PB1
    DB02878
    ZINC000012502763    		 1 C10 H20 N2 O4 InChI=1S/C10H20N2O4/c11-4
    -3-7(5-10(15)16)8(6-12)1-
    2-9(13)14/h7-8H,1-6,11-12
    H2,(H,13,14)(H,15,16)/t7-
    ,8-/m1/s1;
    QMRGRIXXWLVLTR-HTQZYQBOSA-N    		 NCC[CH](CC(O)=O)[CH](CN)CCC(O)=O; NCC[C@
    H](CC(O)=O)[C@@H](CN)CCC(O)=O; C(CC(=O)O
    )C(CN)C(CCN)CC(=O)O; O=C(O)CCC(CN)C(CCN)
    CC(=O)O; C(CC(=O)O)[C@H](CN)[C@H](CCN)CC
    (=O)O    		 3-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACID
    32051
    PB2
    CHEMBL1235146
    DB08369
    ZINC000053683112    		 22 C16 H14 N2 InChI=1S/C16H14N2/c1-2-4-
    15(5-3-1)16-8-6-14(7-9-16
    )12-18-11-10-17-13-18/h1-
    11,13H,12H2;
    DLYMRVCQTVOYEW-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccc(cc2)Cn3ccnc3; n1ccn(c1)C
    c3ccc(c2ccccc2)cc3; C(n1ccnc1)c2ccc(cc2)
    c3ccccc3    		 1-(biphenyl-4-ylmethyl)-1H-imidazole
    32052
    PB3
    CHEMBL511942
    DB04759    		 2 C22 H22 N4 O2 InChI=1S/C22H22N4O2/c1-15
    -5-3-7-17(9-15)12-23-21(2
    7)19-11-20(26-14-25-19)22
    (28)24-13-18-8-4-6-16(2)1
    0-18/h3-11,14H,12-13H2,1-
    2H3,(H,23,27)(H,24,28);
    GTBUZLPQANSGGE-UHFFFAOYSA-N    		 O=C(c2ncnc(C(=O)NCc1cccc(c1)C)c2)NCc3ccc
    c(c3)C; Cc1cccc(CNC(=O)c2cc(ncn2)C(=O)NC
    c3cccc(C)c3)c1; Cc1cccc(c1)CNC(=O)c2cc(n
    cn2)C(=O)NCc3cccc(c3)C    		 N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE;
    PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE)
    32053
    PB4
    CHEMBL514794
    DB04760
    ZINC000012504498    		 2 C22 H20 F2 N4 O2 InChI=1S/C22H20F2N4O2/c1-
    13-7-15(3-5-17(13)23)10-2
    5-21(29)19-9-20(28-12-27-
    19)22(30)26-11-16-4-6-18(
    24)14(2)8-16/h3-9,12H,10-
    11H2,1-2H3,(H,25,29)(H,26
    ,30);
    PYFRREJCFXFNRR-UHFFFAOYSA-N    		 Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc3ccc(F)c(
    C)c3)ccc1F; Cc1cc(ccc1F)CNC(=O)c2cc(ncn2
    )C(=O)NCc3ccc(c(c3)C)F; O=C(c2ncnc(C(=O)
    NCc1ccc(F)c(c1)C)c2)NCc3ccc(F)c(c3)C    		 N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE;
    PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE)
    32054
    PB5
    CHEMBL468900
    DB04761
    ZINC000012504499    		 2 C18 H16 N6 O2 InChI=1S/C18H16N6O2/c25-1
    7(21-10-13-3-1-5-19-8-13)
    15-7-16(24-12-23-15)18(26
    )22-11-14-4-2-6-20-9-14/h
    1-9,12H,10-11H2,(H,21,25)
    (H,22,26);
    NHPBWKYFMTXWAA-UHFFFAOYSA-N    		 O=C(c2ncnc(C(=O)NCc1cccnc1)c2)NCc3cccnc3
    ; c1cc(cnc1)CNC(=O)c2cc(ncn2)C(=O)NCc3cc
    cnc3; O=C(NCc1cccnc1)c2cc(ncn2)C(=O)NCc3
    cccnc3    		 N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-4,6-DICARBOXAMIDE;
    PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-[(PYRIDIN-3-YLMETHYL)-AMIDE]
    32055
    PB6
    ZINC000058633288    		 1 C11 H18 N O6 P2 InChI=1S/C11H17NO6P2/c1-2
    -3-5-10-6-4-7-12(8-10)9-1
    1(19(13,14)15)20(16,17)18
    /h3-8,11H,2,9H2,1H3,(H3-,
    13,14,15,16,17,18)/p+1/b5
    -3+;
    QYIWBGUVYSKCTG-HWKANZROSA-O    		 CCC=Cc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O
    ; O=P(O)(O)C(P(=O)(O)O)C[n+]1cccc(/C=C/C
    C)c1; CC/C=C/c1ccc[n+](c1)CC(P(=O)(O)O)P
    (=O)(O)O; CC/C=C/c1ccc[n+](CC([P](O)(O)=
    O)[P](O)(O)=O)c1; CCC=Cc1ccc[n+](CC([P](
    O)(O)=O)[P](O)(O)=O)c1    		 3-[(1E)-but-1-en-1-yl]-1-(2,2-diphosphonoethyl)pyridinium
    32056
    PB7
    ZINC000073161310    		 2 C38 H50 N4 O5 InChI=1S/C38H50N4O5/c1-5-
    27(2)38(41-28(3)43)21-22-
    42(37(38)46)34(20-19-29-1
    3-8-6-9-14-29)36(45)40-33
    (24-30-15-10-7-11-16-30)3
    5(44)26-39-25-31-17-12-18
    -32(23-31)47-4/h6-18,23,2
    7,33-35,39,44H,5,19-22,24
    -26H2,1-4H3,(H,40,45)(H,4
    1,43)/t27-,33-,34-,35+,38
    -/m0/s1;
    SMPAHDBHYSCFQF-SXXDCNOLSA-N    		 CC[CH](C)[C]1(CCN([CH](CCc2ccccc2)C(=O)N
    [CH](Cc3ccccc3)[CH](O)CNCc4cccc(OC)c4)C1
    =O)NC(C)=O; O=C(NC(Cc1ccccc1)C(O)CNCc2cc
    cc(OC)c2)C(N3C(=O)C(NC(=O)C)(CC3)C(C)CC)
    CCc4ccccc4; CC[C@H](C)[C@]1(CCN([C@@H](C
    Cc2ccccc2)C(=O)N[C@@H](Cc3ccccc3)[C@H](O
    )CNCc4cccc(OC)c4)C1=O)NC(C)=O; CC[C@H](C
    )[C@]1(CCN(C1=O)[C@@H](CCc2ccccc2)C(=O)N
    [C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)
    O)NC(=O)C; CCC(C)C1(CCN(C1=O)C(CCc2ccccc
    2)C(=O)NC(Cc3ccccc3)C(CNCc4cccc(c4)OC)O)
    NC(=O)C    		 (2S)-2-{(3S)-3-(acetylamino)-3-[(2S)-butan-2-yl]-2-oxopyrrolidin-1-yl}-N-{(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-4-phenylbutanamide
    32057
    PB8
    CHEMBL1915985
    ZINC000082136664    		 4 C38 H46 F2 N4 O4 InChI=1S/C38H46F2N4O4/c1-
    24(2)22-38(43-25(3)45)15-
    16-44(37(38)48)34(14-13-2
    6-9-5-4-6-10-26)36(47)42-
    33(19-27-17-30(39)21-31(4
    0)18-27)35(46)32-20-28-11
    -7-8-12-29(28)23-41-32/h4
    -12,17-18,21,24,32-35,41,
    46H,13-16,19-20,22-23H2,1
    -3H3,(H,42,47)(H,43,45)/t
    32-,33+,34+,35-,38+/m1/s1;
    JJJDOYFRIVNWHV-WUCUQKTKSA-N    		 CC(C)C[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N
    [C@@H](Cc3cc(F)cc(F)c3)[C@H](O)[C@H]4Cc5
    ccccc5CN4)C1=O)NC(C)=O; CC(C)C[C@]1(CCN(
    C1=O)[C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc3c
    c(cc(c3)F)F)[C@@H]([C@H]4Cc5ccccc5CN4)O)
    NC(=O)C; CC(C)CC1(CCN(C1=O)C(CCc2ccccc2)
    C(=O)NC(Cc3cc(cc(c3)F)F)C(C4Cc5ccccc5CN4
    )O)NC(=O)C; CC(C)C[C]1(CCN([CH](CCc2cccc
    c2)C(=O)N[CH](Cc3cc(F)cc(F)c3)[CH](O)[CH
    ]4Cc5ccccc5CN4)C1=O)NC(C)=O; Fc1cc(cc(F)
    c1)CC(NC(=O)C(N2C(=O)C(NC(=O)C)(CC2)CC(C
    )C)CCc3ccccc3)C(O)C5NCc4ccccc4C5    		 (2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide
    32058
    PB9
    ZINC000016052492    		 1 C28 H33 N7 O4 S InChI=1S/C28H33N7O4S/c1-3
    2-20-30-16-25(32)19-34-18
    -24(14-23-13-22(15-29)6-7
    -26(23)34)35(40(37,38)27-
    5-3-4-10-31-27)17-21-8-11
    -33(12-9-21)28(36)39-2/h3
    -7,10,13,16,20-21,24H,8-9
    ,11-12,14,17-19H2,1-2H3/t
    24-/m0/s1;
    BRIVIXLMMUIBJY-DEOSSOPVSA-N    		 COC(=O)N1CCC(CC1)CN([C@@H]2CN(Cc3cncn3C)
    c4ccc(cc4C2)C#N)[S](=O)(=O)c5ccccn5; O=C
    (OC)N1CCC(CC1)CN(C3Cc2c(ccc(C#N)c2)N(C3)
    Cc4cncn4C)S(=O)(=O)c5ncccc5; COC(=O)N1CC
    C(CC1)CN([CH]2CN(Cc3cncn3C)c4ccc(cc4C2)C
    #N)[S](=O)(=O)c5ccccn5; Cn1cncc1CN2CC(Cc
    3c2ccc(c3)C#N)N(CC4CCN(CC4)C(=O)OC)S(=O)
    (=O)c5ccccn5; Cn1cncc1CN2C[C@H](Cc3c2ccc
    (c3)C#N)N(CC4CCN(CC4)C(=O)OC)S(=O)(=O)c5
    ccccn5    		 methyl 4-{[{(3S)-6-cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}(pyridin-2-ylsulfonyl)amino]methyl}piperidine-1-carboxylate
    32059
    PBA
    CHEMBL20461
    DB01963
    ZINC000169745352    		 2 C8 H11 B O2 InChI=1S/C8H11BO2/c10-9(1
    1)7-6-8-4-2-1-3-5-8/h1-5,
    10-11H,6-7H2;
    VPRUMANMDWQMNF-UHFFFAOYSA-N    		 OB(O)CCc1ccccc1; B(CCc1ccccc1)(O)O PHENYLETHANE BORONIC ACID
    32060
    PBB
    DB08370    		 0 C10 H12 Br N O2 S InChI=1S/C10H12BrNO2S/c11
    -8-3-1-7(2-4-8)5-15-6-9(1
    2)10(13)14/h1-4,9H,5-6,12
    H2,(H,13,14)/t9-/m0/s1;
    QZGWXEMBSFZEBK-VIFPVBQESA-N    		 c1cc(ccc1CSCC(C(=O)O)N)Br; c1cc(ccc1CSC[
    C@@H](C(=O)O)N)Br; N[CH](CSCc1ccc(Br)cc1
    )C(O)=O; N[C@@H](CSCc1ccc(Br)cc1)C(O)=O;
    Brc1ccc(cc1)CSCC(C(=O)O)N    		 S-(4-BROMOBENZYL)CYSTEINE
    32061
    PBC
    CHEMBL21485
    DB01795
    ZINC000169743014    		 14 C6 H7 B O2 InChI=1S/C6H7BO2/c8-7(9)6
    -4-2-1-3-5-6/h1-5,8-9H;
    HXITXNWTGFUOAU-UHFFFAOYSA-N    		 B(c1ccccc1)(O)O; OB(O)c1ccccc1 PHENYL BORONIC ACID
    32062
    PBD
    CHEMBL201747
    ZINC000013679617    		 21 C15 H20 N4 O2 S InChI=1S/C15H20N4O2S/c1-2
    0-13-5-4-12(10-14(13)21-2
    )18-15(22)17-6-3-8-19-9-7
    -16-11-19/h4-5,7,9-11H,3,
    6,8H2,1-2H3,(H2,17,18,22);
    FZQXMGLQANXZRP-UHFFFAOYSA-N    		 COc1ccc(NC(=S)NCCCn2ccnc2)cc1OC; S=C(NCC
    Cn1ccnc1)Nc2ccc(OC)c(OC)c2; COc1ccc(cc1O
    C)NC(=S)NCCCn2ccnc2    		 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea
    32063
    PBE
    ZINC000002528042    		 8 C7 H14 N O2 InChI=1S/C7H13NO2/c1-8(2)
    5-3-4-6(8)7(9)10/h6H,3-5H
    2,1-2H3/p+1/t6-/m0/s1;
    CMUNUTVVOOHQPW-LURJTMIESA-O    		 C[N+]1(CCCC1C(=O)O)C; O=C(O)C1[N+](C)(C)
    CCC1; C[N+]1(C)CCC[C@H]1C(O)=O; C[N+]1(C
    CC[C@H]1C(=O)O)C; C[N+]1(C)CCC[CH]1C(O)=
    O    		 1,1-DIMETHYL-PROLINIUM;
    PROLINE BETAINE
    32064
    PBF
    DB08371
    ZINC000002561082    		 1 C16 H15 N O3 InChI=1S/C16H15NO3/c17-14
    (16(19)20)10-11-6-8-13(9-
    7-11)15(18)12-4-2-1-3-5-1
    2/h1-9,14H,10,17H2,(H,19,
    20)/t14-/m0/s1;
    TVIDEEHSOPHZBR-AWEZNQCLSA-N    		 c1ccc(cc1)C(=O)c2ccc(cc2)C[C@@H](C(=O)O)
    N; N[C@@H](Cc1ccc(cc1)C(=O)c2ccccc2)C(O)
    =O; O=C(O)C(N)Cc1ccc(cc1)C(=O)c2ccccc2;
    c1ccc(cc1)C(=O)c2ccc(cc2)CC(C(=O)O)N; N[
    CH](Cc1ccc(cc1)C(=O)c2ccccc2)C(O)=O    		 PARA-(BENZOYL)-PHENYLALANINE
    32065
    PBG
    CHEMBL1235151
    DB02272
    ZINC000000056609    		 11 C10 H14 N2 O4 InChI=1S/C10H14N2O4/c11-4
    -8-7(3-10(15)16)6(5-12-8)
    1-2-9(13)14/h5,12H,1-4,11
    H2,(H,13,14)(H,15,16);
    QSHWIQZFGQKFMA-UHFFFAOYSA-N    		 c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O; O=C(O
    )CCc1c(c(nc1)CN)CC(=O)O; NCc1[nH]cc(CCC(
    O)=O)c1CC(O)=O    		 3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROL-3-YL]PROPANOIC ACID;
    2-AMINOMETHYLPYRROL-3-ACETIC ACID 4-PROPIONIC ACID;
    PORPHOBILINOGEN;
    5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROLE-3-PROPANOIC ACID
    32066
    PBH
    ZINC000058638368    		 0 C34 H40 N6 O4 InChI=1S/C34H40N6O4/c1-38
    -13-15-39(16-14-38)24-8-1
    1-28-30(19-24)37-33(36-28
    )23-6-9-26(10-7-23)43-17-
    4-18-44-32-21-29-27(20-31
    (32)42-2)34(41)40-12-3-5-
    25(40)22-35-29/h6-11,19-2
    1,25,35H,3-5,12-18,22H2,1
    -2H3,(H,36,37)/t25-/m0/s1;
    FHYBNKKZFOFFND-VWLOTQADSA-N    		 COc1cc2C(=O)N3CCC[CH]3CNc2cc1OCCCOc4ccc(
    cc4)c5[nH]c6cc(ccc6n5)N7CCN(C)CC7; COc1c
    c2C(=O)N3CCC[C@H]3CNc2cc1OCCCOc4ccc(cc4)
    c5[nH]c6cc(ccc6n5)N7CCN(C)CC7; CN1CCN(CC
    1)c2ccc3c(c2)[nH]c(n3)c4ccc(cc4)OCCCOc5c
    c6c(cc5OC)C(=O)N7CCCC7CN6; CN1CCN(CC1)c2
    ccc3c(c2)[nH]c(n3)c4ccc(cc4)OCCCOc5cc6c(
    cc5OC)C(=O)N7CCC[C@H]7CN6    		 (11aS)-7-methoxy-8-(3-{4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy}propoxy)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
    32067
    PBI
    DB02275
    ZINC000005975835    		 0 C13 H15 N3 O3 InChI=1S/C13H15N3O3/c14-8
    -12-15-11(13(19)16(12)5-6
    -17)7-9-1-3-10(18)4-2-9/h
    1-4,6,9,11H,5,7-8,14H2/t1
    1-/m0/s1;
    MONOYMGQJZJGBR-NSHDSACASA-N    		 NCC1=N[C@@H](CC2C=CC(=O)C=C2)C(=O)N1CC=O
    ; C1=CC(=O)C=CC1CC2C(=O)N(C(=N2)CN)CC=O;
    O=C1C=CC(C=C1)CC2N=C(N(C2=O)CC=O)CN; NC
    C1=N[CH](CC2C=CC(=O)C=C2)C(=O)N1CC=O    		 [2-AMINOMETHYL-5-OXO-4-(4-OXO-CYCLOHEXA-2,5-DIENYLMETHYL)-4,5-DIHYDRO-IMIDAZOL-1-YL] -ACETALDEHYDE
    32068
    PBK    		 0 C22 H36 N5 O8 P InChI=1S/C22H36N5O8P/c1-2
    -3-4-5-6-7-8-9-10-11-16(2
    8)35-36(31,32)33-12-15-18
    (29)19(30)22(34-15)27-14-
    26-17-20(23)24-13-25-21(1
    7)27/h13-15,18-19,22,29-3
    0H,2-12H2,1H3,(H,31,32)(H
    2,23,24,25)/t15-,18-,19-,
    22-/m1/s1;
    IKBWVSPLSBIYSK-CIVUBGFFSA-N    		 CCCCCCCCCCCC(=O)O[P](O)(=O)OC[CH]1O[CH](
    [CH](O)[CH]1O)n2cnc3c(N)ncnc23; CCCCCCCC
    CCCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C
    @@H](O1)n2cnc3c2ncnc3N)O)O; P(OC(=O)CCCC
    CCCCCCC)(O)(=O)OCC3OC(n1cnc2c1ncnc2N)C(O
    )C3O; CCCCCCCCCCCC(=O)O[P](O)(=O)OC[C@H]
    1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc2
    3; CCCCCCCCCCCC(=O)OP(=O)(O)OCC1C(C(C(O1
    )n2cnc3c2ncnc3N)O)O    		 5'-O-[(R)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine
    32069
    PBL
    ZINC000064754859    		 0 C5 H12 O4 InChI=1S/C5H12O4/c1-4(6,7
    )3-5(2,8)9/h6-9H,3H2,1-2H
    3;
    VNRDADQWVXLHCQ-UHFFFAOYSA-N    		 CC(O)(O)CC(C)(O)O; OC(O)(C)CC(O)(O)C; CC
    (CC(C)(O)O)(O)O    		 pentane-2,2,4,4-tetrol
    32070
    PBM    		 0 C3 H9 Pb InChI=1S/3CH3.Pb/h3*1H3;/
    q;;;+1;
    SNBFOEGVGALPSE-UHFFFAOYSA-N    		 [Pb+](C)(C)C; C[Pb+](C)C TRIMETHYL LEAD ION
    32071
    PBN
    CHEMBL79512
    DB04311
    ZINC000002567989    		 2 C10 H15 N InChI=1S/C10H15N/c11-9-5-
    4-8-10-6-2-1-3-7-10/h1-3,
    6-7H,4-5,8-9,11H2;
    AGNFWIZBEATIAK-UHFFFAOYSA-N    		 c1ccc(cc1)CCCCN; c1ccccc1CCCCN; NCCCCc1c
    cccc1    		 4-PHENYLBUTYLAMINE
    32072
    PBO
    ZINC000005972858    		 1 C9 H11 N O InChI=1S/C9H11NO/c1-2-4-9
    (11)8-5-3-6-10-7-8/h3,5-7
    H,2,4H2,1H3;
    JORUAYHMUWRFNM-UHFFFAOYSA-N    		 CCCC(=O)c1cccnc1; O=C(c1cccnc1)CCC 1-PYRIDIN-3-YLBUTAN-1-ONE
    32073
    PBP
    CHEMBL142826
    ZINC000000028146    		 9 C8 H6 Br2 O InChI=1S/C8H6Br2O/c9-5-8(
    11)6-1-3-7(10)4-2-6/h1-4H
    ,5H2;
    FKJSFKCZZIXQIP-UHFFFAOYSA-N    		 BrCC(=O)c1ccc(Br)cc1; c1cc(ccc1C(=O)CBr)
    Br; C(C(c1ccc(cc1)Br)=O)Br    		 p-Bromophenacyl bromide
    32074
    PBQ
    CHEMBL1235156    		 2 C10 H4 Br5 N O InChI=1S/C10H4Br5NO/c11-3
    -1-4(9(17)5(12)2-3)8-6(13
    )7(14)10(15)16-8/h1-2,16-
    17H;
    LXMNWKJHYOZUQL-UHFFFAOYSA-N    		 c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Br)B
    r; Oc1c(Br)cc(Br)cc1c2[nH]c(Br)c(Br)c2Br
    ; Brc2c(c1cc(Br)cc(Br)c1O)nc(Br)c2Br    		 PENTABROMOPSEUDILIN
    32075
    PBR
    CHEMBL1235157
    DB03167
    ZINC000001687157    		 2 C6 H Br5 O InChI=1S/C6HBr5O/c7-1-2(8
    )4(10)6(12)5(11)3(1)9/h12
    H;
    SVHOVVJFOWGYJO-UHFFFAOYSA-N    		 c1(c(c(c(c(c1Br)Br)Br)Br)Br)O; Oc1c(Br)c
    (Br)c(Br)c(Br)c1Br; Brc1c(O)c(Br)c(Br)c(
    Br)c1Br    		 PENTABROMOPHENOL
    32076
    PBS
    CHEMBL259100
    ZINC000043617397    		 5 C32 H63 N O9 InChI=1S/C32H63NO9/c1-3-5
    -7-9-10-11-12-13-14-15-17
    -18-20-25(35)28(37)24(33-
    27(36)21-19-16-8-6-4-2)23
    -41-32-31(40)30(39)29(38)
    26(22-34)42-32/h24-26,28-
    32,34-35,37-40H,3-23H2,1-
    2H3,(H,33,36)/t24-,25+,26
    +,28-,29-,30-,31+,32-/m0/
    s1;
    PFXOKSFCNLTBGK-YFWOXBOYSA-N    		 CCCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)
    O)O)NC(=O)CCCCCCC)O)O; CCCCCCCCCCCCCC[C@
    @H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[
    C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC; CC
    CCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[
    C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=
    O)CCCCCCC)O)O; CCCCCCCCCCCCCC[CH](O)[CH]
    (O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[C
    H]1O)NC(=O)CCCCCCC; O=C(NC(COC1OC(C(O)C(
    O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCC    		 (2S,3S,4R)-N-OCTANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL
    32077
    PBT    		 0 C10 H17 N2 O8 P InChI=1S/C10H17N2O8P/c1-5
    -3-12(10(15)11-9(5)14)8-2
    -6(13)7(20-8)4-19-21(16,1
    7)18/h5-8,13H,2-4H2,1H3,(
    H,11,14,15)(H2,16,17,18)/
    t5-,6+,7-,8-/m1/s1;
    PGRQANKWVMVANW-ULAWRXDQSA-N    		 C[C@@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H
    ](O2)COP(=O)(O)O)O; CC1CN(C(=O)NC1=O)C2C
    C(C(O2)COP(=O)(O)O)O; O=C1N(CC(C(=O)N1)C
    )C2OC(C(O)C2)COP(=O)(O)O; C[C@@H]1CN([C@
    H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O
    )NC1=O; C[CH]1CN([CH]2C[CH](O)[CH](CO[P]
    (O)(O)=O)O2)C(=O)NC1=O    		 [3-HYDROXY-5-(5-METHYL-2,4-DIOXOTETRAHYDRO-1(2H)-PYRIMIDINYL)TETRAHYDRO-2-FURANYL]METHYL DIHYDROGEN PHOSPHATE
    32078
    PBU
    ZINC000058638376    		 9 C17 H33 O19 P3 InChI=1S/C17H33O19P3/c1-3
    -5-10(18)31-7-9(33-11(19)
    6-4-2)8-32-39(29,30)36-15
    -12(20)13(21)16(34-37(23,
    24)25)17(14(15)22)35-38(2
    6,27)28/h9,12-17,20-22H,3
    -8H2,1-2H3,(H,29,30)(H2,2
    3,24,25)(H2,26,27,28)/t9-
    ,12-,13+,14+,15-,16-,17-/
    m1/s1;
    DHAFWWKSHUBGAH-BXJBXBQISA-N    		 CCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)
    [CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)
    =O)[CH]1O)OC(=O)CCC; CCCC(=O)OCC(COP(=O)
    (O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)
    O)O)OC(=O)CCC; O=C(OCC(OC(=O)CCC)COP(=O)
    (O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)
    C1O)CCC; CCCC(=O)OC[C@H](CO[P](O)(=O)O[C
    @@H]1[C@H](O)[C@H](O)[C@@H](O[P](O)(O)=O
    )[C@H](O[P](O)(O)=O)[C@H]1O)OC(=O)CCC; C
    CCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H](
    [C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)O
    P(=O)(O)O)O)O)OC(=O)CCC    		 (2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1 ,2-DIYL DIBUTANOATE;
    di-butanoyl L-alpha-phosphatidyl-D-myo-inositol 4,5-bisphosphate;
    di-C4-PIP2
    32079
    PBV
    ZINC000005197414    		 1 C7 H10 N2 InChI=1S/C7H10N2/c1-2-6-4
    -3-5-7(8)9-6/h3-5H,2H2,1H
    3,(H2,8,9);
    JXKAUUVMXZIJNZ-UHFFFAOYSA-N    		 c1(nc(N)ccc1)CC; CCc1cccc(N)n1; CCc1cccc
    (n1)N    		 6-ethylpyridin-2-amine
    32080
    PBW    		 4 C7 H14 O6 InChI=1S/C7H14O6/c8-1-2-3
    (9)5(11)7(13)6(12)4(2)10/
    h2-13H,1H2/t2-,3-,4+,5+,6
    -,7-;
    QFYQIWDMMSKNFF-VQPJZGIOSA-N    		 C(C1C(C(C(C(C1O)O)O)O)O)O; OC[CH]1[CH](O
    )[CH](O)[CH](O)[CH](O)[CH]1O; OC[C@@H]1[
    C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
    ; C(C1[C@H]([C@@H](C(C([C@H]1O)O)O)O)O)O    		 (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
    32081
    PBX
    ZINC000033861528    		 1 C6 H5 Br O3 InChI=1S/C6H5BrO3/c7-3-1-
    2-4(8)6(10)5(3)9/h1-2,8-1
    0H;
    TYRFQQZIVRBJAK-UHFFFAOYSA-N    		 Brc1ccc(O)c(O)c1O; c1cc(c(c(c1O)O)O)Br;
    Oc1ccc(Br)c(O)c1O    		 4-bromobenzene-1,2,3-triol
    32082
    PBY    		 1 C10 H9 Cl N4 InChI=1S/C10H9ClN4/c11-7-
    2-1-3-8(4-7)15-10-5-9(12)
    13-6-14-10/h1-6H,(H3,12,1
    3,14,15);
    YEESRFWVWLZFDI-UHFFFAOYSA-N    		 c1(cc(ccc1)Cl)Nc2cc(N)ncn2; c1cc(cc(c1)C
    l)Nc2cc(ncn2)N; Nc1cc(Nc2cccc(Cl)c2)ncn1    		 N~4~-(3-chlorophenyl)pyrimidine-4,6-diamine
    32083
    PBZ    		 31 C7 H10 N3 InChI=1S/C7H9N3/c8-6-3-1-
    5(2-4-6)7(9)10/h1-4H,8H2,
    (H3,9,10)/p+1;
    WPANETAWYGDRLL-UHFFFAOYSA-O    		 N/C(c1ccc(N)cc1)=[NH2+]; c1cc(ccc1C(=[NH
    2+])N)N; NC(=[NH2+])c1ccc(N)cc1    		 P-AMINO BENZAMIDINE
    32084
    PC
    CHEMBL1235161
    DB03945
    ZINC000001532692    		 114 C5 H15 N O4 P InChI=1S/C5H14NO4P/c1-6(2
    ,3)4-5-10-11(7,8)9/h4-5H2
    ,1-3H3,(H-,7,8,9)/p+1;
    YHHSONZFOIEMCP-UHFFFAOYSA-O    		 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
    32085
    PC0
    DB08372
    ZINC000018422318    		 1 C16 H19 F N4 O S InChI=1S/C16H19FN4OS/c1-3
    -22-13-7-9-18-12(15(13)17
    )6-8-19-16(23)21-14-5-4-1
    1(2)10-20-14/h4-5,7,9-10H
    ,3,6,8H2,1-2H3,(H2,19,20,
    21,23);
    QOVMZMFNTIUFLU-UHFFFAOYSA-N    		 CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)C; CCOc
    1ccnc(CCNC(=S)Nc2ccc(C)cn2)c1F; S=C(Nc1n
    cc(cc1)C)NCCc2nccc(OCC)c2F    		 1-[2-(4-ETHOXY-3-FLUOROPYRIDIN-2-YL)ETHYL]-3-(5-METHYLPYRIDIN-2-YL)THIOUREA
    32086
    PC1    		 0 C44 H88 N O8 P InChI=1S/C44H88NO8P/c1-6-
    8-10-12-14-16-18-20-22-24
    -26-28-30-32-34-36-43(46)
    50-40-42(41-52-54(48,49)5
    1-39-38-45(3,4)5)53-44(47
    )37-35-33-31-29-27-25-23-
    21-19-17-15-13-11-9-7-2/h
    42H,6-41H2,1-5H3/t42-/m1/
    s1;
    NRJAVPSFFCBXDT-HUESYALOSA-N    		 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])O
    CC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC; C
    CCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)
    ([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
    CCCC; CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]
    ([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC
    CCCCCCCC; O=C(OC(COP([O-])(=O)OCC[N+](C)
    (C)C)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCC
    CCCCCCC; CCCCCCCCCCCCCCCCCC(=O)OC[C@H](C
    O[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC
    CCCCCCCCCCCC    		 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE;
    3-SN-PHOSPHATIDYLCHOLINE
    32087
    PC2    		 0 C44 H89 N O8 P InChI=1S/C44H88NO8P/c1-6-
    8-10-12-14-16-18-20-22-24
    -26-28-30-32-34-36-43(46)
    50-40-42(41-52-54(48,49)5
    1-39-38-45(3,4)5)53-44(47
    )37-35-33-31-29-27-25-23-
    21-19-17-15-13-11-9-7-2/h
    42H,6-41H2,1-5H3/p+1/t42-
    /m1/s1;
    NRJAVPSFFCBXDT-HUESYALOSA-O    		 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[
    N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC; O=C(
    OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC[
    N+](C)(C)C)O)CCCCCCCCCCCCCCCCC; CCCCCCCC
    CCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+]
    (C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC; CCCCCCC
    CCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC
    [N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC; CCC
    CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O
    CC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC    		 DI-STEAROYL-3-SN-PHOSPHATIDYLCHOLINE
    32088
    PC3
    DB04423    		 0 C36 H36 Co N4 O8 InChI=1S/C36H36N4O8.Co/c1
    -17-21(5-9-33(41)42)29-14
    -26-19(3)23(7-11-35(45)46
    )31(39-26)16-28-20(4)24(8
    -12-36(47)48)32(40-28)15-
    27-18(2)22(6-10-34(43)44)
    30(38-27)13-25(17)37-29;/
    h13-16H,5-12H2,1-4H3,(H,4
    1,42)(H,43,44)(H,45,46)(H
    ,47,48);/q-4;+4/b25-13-,2
    6-14-,27-15-,28-16-,29-14
    -,30-13-,31-16-,32-15-;;
    YMJSUHOSFAHJRH-MXOXSBADSA-N    		 O=C(O)CCC1=C(C2=Cc4c(c(c3C=C5C(=C(C6=Cc8
    c(c(c7C=C1N2[Co](n34)(N56)n78)C)CCC(=O)O
    )C)CCC(=O)O)C)CCC(=O)O)C; Cc1c2n3c(c1CCC
    (=O)O)C=C4C(=C(C5=Cc6c(c(c7n6[Co]3(N45)N
    8C(=C7)C(=C(C8=C2)CCC(=O)O)C)CCC(=O)O)C)
    CCC(=O)O)C; Cc1c(CCC(O)=O)c2C=C3N4C(=Cc5
    n6c(C=C7N8C(=Cc1n2[Co]468)C(=C7C)CCC(O)=
    O)c(CCC(O)=O)c5C)C(=C3C)CCC(O)=O    		 COPROPORPHYRIN I CONTAINING CO(III)
    32089
    PC4    		 7 Cl4 Pt InChI=1S/4ClH.Pt/h4*1H;/q
    ;;;;+2/p-4;
    SVZRVTAEYVVVPM-UHFFFAOYSA-J    		 Cl[Pt--](Cl)(Cl)Cl; Cl[Pt-2](Cl)(Cl)Cl TETRACHLOROPLATINATE(II)
    32090
    PC5
    DB02225    		 1 C18 H36 N O6 P S2 InChI=1S/C18H36NO6PS2/c1-
    6-8-10-17(20)22-14-16(25-
    18(21)11-9-7-2)15-24-26(2
    7,28)23-13-12-19(3,4)5/h1
    6H,6-15H2,1-5H3/t16-/m1/s
    1;
    WEXRBKRFCBLWEL-MRXNPFEDSA-N    		 CCCCC(=O)OC[CH](CO[P]([S-])(=S)OCC[N+](C
    )(C)C)OC(=O)CCCC; CCCCC(=O)OC[C@H](COP(=
    S)(OCC[N+](C)(C)C)[S-])OC(=O)CCCC; CCCCC
    (=O)OC[C@H](CO[P]([S-])(=S)OCC[N+](C)(C)
    C)OC(=O)CCCC; CCCCC(=O)OCC(COP(=S)(OCC[N
    +](C)(C)C)[S-])OC(=O)CCCC; O=C(OC(COP([S
    -])(=S)OCC[N+](C)(C)C)COC(=O)CCCC)CCCC    		 1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE
    32091
    PC6    		 0 C45 H90 N O8 P InChI=1S/C45H90NO8P/c1-6-
    8-10-12-14-16-17-18-19-20
    -21-22-23-24-25-26-27-28-
    30-32-34-36-38-45(48)54-4
    3(42-53-55(49,50)52-40-39
    -46(3,4)5)41-51-44(47)37-
    35-33-31-29-15-13-11-9-7-
    2/h43H,6-42H2,1-5H3/t43-/
    m1/s1;
    KWHAREAUZBVBDS-VZUYHUTRSA-N    		 CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)C
    CCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C;
    CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=
    O)CCCCCCCCCCC)CO[P]([O-])(=O)OCC[N+](C)(
    C)C; CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]
    (COC(=O)CCCCCCCCCCC)CO[P]([O-])(=O)OCC[N
    +](C)(C)C; CCCCCCCCCCCCCCCCCCCCCCCCC(=O)
    O[C@H](COC(=O)CCCCCCCCCCC)CO[P@@](=O)([O
    -])OCC[N+](C)(C)C; O=C(OC(COP([O-])(=O)O
    CC[N+](C)(C)C)COC(=O)CCCCCCCCCCC)CCCCCCC
    CCCCCCCCCCCCCCCCC    		 7-[(DODECANOYLOXY)METHYL]-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-3,5,8-TRIOXA-4-PHOSPHADOTRIACONTAN-1-AMINIUM 4-OXIDE
    32092
    PC7
    ZINC000032792133    		 0 C42 H85 N O8 P InChI=1S/C42H84NO8P/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/h40H,6-
    39H2,1-5H3/p+1/t40-/m0/s1;
    PZNPLUBHRSSFHT-FAIXQHPJSA-O    		 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC
    CCCCCCC)COP(=O)(O)OCC[N+](C)(C)C; CCCCCC
    CCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCC
    CCCC)CO[P](O)(=O)OCC[N+](C)(C)C; O=C(OCC
    (OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC[N+]
    (C)(C)C)O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCC
    CCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)
    CO[P@](=O)(O)OCC[N+](C)(C)C; CCCCCCCCCCC
    CCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCC
    C)CO[P@@](O)(=O)OCC[N+](C)(C)C    		 (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE;
    PHOSPHATIDYLCHOLINE;
    1-PALMITOYL-2-STEAROYL-PC
    32093
    PC8
    ZINC000012834343    		 0 C24 H49 N O8 P InChI=1S/C24H48NO8P/c1-6-
    8-10-12-14-16-23(26)30-20
    -22(33-24(27)17-15-13-11-
    9-7-2)21-32-34(28,29)31-1
    9-18-25(3,4)5/h22H,6-21H2
    ,1-5H3/p+1/t22-/m1/s1;
    YHIXRNNWDBPKPW-JOCHJYFZSA-O    		 CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+]
    (C)(C)C)OC(=O)CCCCCCC; CCCCCCCC(=O)OC[C@
    H](CO[P@@](O)(=O)OCC[N+](C)(C)C)OC(=O)CC
    CCCCC; CCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+]
    (C)(C)C)OC(=O)CCCCCCC; O=C(OCC(OC(=O)CCC
    CCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCC; C
    CCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)
    (C)C)OC(=O)CCCCCCC    		 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
    32094
    PC9    		 6 C42 H83 Br2 N O8 P InChI=1S/C42H82Br2NO8P/c1
    -6-8-10-12-14-16-17-18-19
    -21-23-25-27-32-41(46)50-
    36-38(37-52-54(48,49)51-3
    5-34-45(3,4)5)53-42(47)33
    -29-28-31-40(44)39(43)30-
    26-24-22-20-15-13-11-9-7-
    2/h38-40H,6-37H2,1-5H3/p+
    1/t38-,39+,40+/m1/s1;
    JYNIJUKRMQKJED-WKSNTLBMSA-O    		 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O
    )OCC[N+](C)(C)C)OC(=O)CCCC[C@H](Br)[C@@H
    ](Br)CCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC
    [CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CC
    CC[CH](Br)[CH](Br)CCCCCCCCCCC; CCCCCCCCC
    CCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)
    OC(=O)CCCCC(C(CCCCCCCCCCC)Br)Br; CCCCCCC
    CCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N
    +](C)(C)C)OC(=O)CCCC[C@@H]([C@H](CCCCCCC
    CCCC)Br)Br; BrC(CCCCCCCCCCC)C(Br)CCCCC(=
    O)OC(COP(=O)(OCC[N+](C)(C)C)O)COC(=O)CCC
    CCCCCCCCCCCC    		 (7R,14S)-14,15-DIBROMO-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE;
    6,7-DIBROMO-PHOSPHATIDYLCHOLINE
    32095
    PCA
    CHEMBL397976
    DB03088
    ZINC000003598263    		 22 C5 H7 N O3 InChI=1S/C5H7NO3/c7-4-2-1
    -3(6-4)5(8)9/h3H,1-2H2,(H
    ,6,7)(H,8,9)/t3-/m0/s1;
    ODHCTXKNWHHXJC-VKHMYHEASA-N    		 C1CC(=O)N[C@@H]1C(=O)O; OC(=O)[CH]1CCC(=
    O)N1; O=C(O)C1NC(=O)CC1; OC(=O)[C@@H]1CC
    C(=O)N1; C1CC(=O)NC1C(=O)O    		 PYROGLUTAMIC ACID
    32096
    PCB
    DB08373    		 2 C14 H10 Cl4 O4 S2 InChI=1S/C14H10Cl4O4S2/c1
    -23(19,20)13-5-9(15)7(3-1
    1(13)17)8-4-12(18)14(6-10
    (8)16)24(2,21)22/h3-6H,1-
    2H3;
    RDBKPLOYRMCFIY-UHFFFAOYSA-N    		 CS(=O)(=O)c1cc(c(cc1Cl)c2cc(c(cc2Cl)S(=O
    )(=O)C)Cl)Cl; Clc2cc(c(Cl)cc2c1c(Cl)cc(c
    (Cl)c1)S(=O)(=O)C)S(=O)(=O)C; C[S](=O)(=
    O)c1cc(Cl)c(cc1Cl)c2cc(Cl)c(cc2Cl)[S](C)
    (=O)=O    		 4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL
    32097
    PCC    		 0 C5 H7 N O3 InChI=1/C5H7NO3/c7-4-2-1-
    3(6-4)5(8)9/h3H,1-2H2,(H,
    6,7)(H,8,9)/t3-/m0/s1/f/h
    6,8H;
    ODHCTXKNWHHXJC-NEWVVPMODF    		 C1CC(=O)N[C@@H]1C(=O)O; OC(=O)[CH]1CCC(=
    O)N1; O=C(O)C1NC(=O)CC1; OC(=O)[C@@H]1CC
    C(=O)N1; C1CC(=O)NC1C(=O)O    		 5-OXOPROLINE;
    PYROGLUTAMIC ACID
    32098
    PCD    		 25 C19 H26 Mo N8 O16 P2 S2 InChI=1S/C19H26N8O13P2S2.
    Mo.H2O.2O/c20-7-1-2-27(19
    (31)22-7)17-11(29)10(28)5
    (39-17)3-36-41(32,33)40-4
    2(34,35)37-4-6-12(43)13(4
    4)8-16(38-6)24-14-9(23-8)
    15(30)26-18(21)25-14;;;;/
    h1-2,5-6,8,10-11,16-17,23
    ,28-29,43-44H,3-4H2,(H,32
    ,33)(H,34,35)(H2,20,22,31
    )(H4,21,24,25,26,30);;1H2
    ;;/q;+2;;;/p-2/t5-,6-,8+,
    10-,11-,16-,17-;;;;/m1...
    ./s1;
    YEBYDVFRFUQMER-MQPNXHJTSA-L    		 O.NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O
    )(=O)O[P](O)(=O)OC[C@H]3O[C@H]4Nc5nc(N)n
    c(O)c5N[C@H]4C6=C3S[Mo](=O)(=O)S6)[C@@H]
    (O)[C@H]2O; C1=CN(C(=O)N=C1N)C2C(C(C(O2)
    COP(=O)(O)OP(=O)(O)OCC3C4=C(C5C(O3)Nc6c(
    c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)
    O; O.NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O
    )(=O)O[P](O)(=O)OC[CH]3O[CH]4Nc5nc(N)nc(
    O)c5N[CH]4C6=C3S[Mo](=O)(=O)S6)[CH](O)[C
    H]2O; C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C
    @H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H
    ]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)
    N5)S[Mo](=O)(=O)(S4)[OH2])O)O    		 (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V);
    MOLYBDENUM COFACTOR;
    MOCO
    32099
    PCE
    ZINC000033396875    		 0 C15 H25 N O3 InChI=1S/C15H25NO3/c1-2-6
    -12(15(18)19)10-14(17)13(
    16)9-11-7-4-3-5-8-11/h1,1
    1-14,17H,3-10,16H2,(H,18,
    19)/t12-,13+,14-/m1/s1;
    LBVTXTJVEPPIKK-HZSPNIEDSA-N    		 C#CCC(CC(C(CC1CCCCC1)N)O)C(=O)O; N[CH](C
    C1CCCCC1)[CH](O)C[CH](CC#C)C(O)=O; N[C@@
    H](CC1CCCCC1)[C@H](O)C[C@@H](CC#C)C(O)=O
    ; C#CCC(C[C@H]([C@H](CC1CCCCC1)N)O)C(=O)
    O; O=C(O)C(CC#C)CC(O)C(N)CC1CCCCC1    		 2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-BUTYL)-PENT-4-YNOIC ACID
    32100
    PCF
    CHEMBL1200737
    DB09114    		 0 C40 H80 N O8 P InChI=1S/C40H80NO8P/c1-6-
    8-10-12-14-16-18-20-22-24
    -26-28-30-32-39(42)46-36-
    38(37-48-50(44,45)47-35-3
    4-41(3,4)5)49-40(43)33-31
    -29-27-25-23-21-19-17-15-
    13-11-9-7-2/h38H,6-37H2,1
    -5H3/t38-/m1/s1;
    KILNVBDSWZSGLL-KXQOOQHDSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=
    O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC;
    CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC
    [N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC; CCCCC
    CCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])O
    CC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC; CCC
    CCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)
    OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC; O=
    C(OC(COP([O-])(=O)OCC[N+](C)(C)C)COC(=O)
    CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC    		 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE
    32101
    PCG
    CHEMBL395336
    DB02315
    ZINC000004095501    		 157 C10 H12 N5 O7 P InChI=1S/C10H12N5O7P/c11-
    10-13-7-4(8(17)14-10)12-2
    -15(7)9-5(16)6-3(21-9)1-2
    0-23(18,19)22-6/h2-3,5-6,
    9,16H,1H2,(H,18,19)(H3,11
    ,13,14,17)/t3-,5-,6-,9-/m
    1/s1;
    ZOOGRGPOEVQQDX-UUOKFMHZSA-N    		 c1nc2c(n1C3C(C4C(O3)COP(=O)(O4)O)O)N=C(N
    C2=O)N; O=C4NC(=Nc1c4ncn1C3OC2COP(=O)(OC
    2C3O)O)N; c1nc2c(n1[C@H]3[C@@H]([C@H]4C(
    O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N; NC1=Nc
    2n(cnc2C(=O)N1)[C@@H]3O[C@@H]4CO[P@](O)(
    =O)O[C@H]4[C@H]3O; NC1=Nc2n(cnc2C(=O)N1)
    [CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O    		 CYCLIC GUANOSINE MONOPHOSPHATE
    32102
    PCH
    ZINC000005975173    		 0 C15 H24 N2 O2 InChI=1S/C15H24N2O2/c16-1
    4(10-12-4-2-1-3-5-12)15(1
    8)11-19-13-6-8-17-9-7-13/
    h6-9,12,14-15,18H,1-5,10-
    11,16H2/t14-,15-/m0/s1;
    SCCSQJNTNWRNGV-GJZGRUSLSA-N    		 N[CH](CC1CCCCC1)[CH](O)COc2ccncc2; c1cnc
    cc1OCC(C(CC2CCCCC2)N)O; O(c1ccncc1)CC(O)
    C(N)CC2CCCCC2; c1cnccc1OC[C@@H]([C@H](CC
    2CCCCC2)N)O; N[C@@H](CC1CCCCC1)[C@@H](O)
    COc2ccncc2    		 3-AMINO-4-CYCLOHEXYL-1-(PYRIDIN-4-YLOXY)BUTAN-2-OL
    32103
    PCI
    CHEMBL75967
    ZINC000001529471    		 30 C6 H Cl5 O InChI=1S/C6HCl5O/c7-1-2(8
    )4(10)6(12)5(11)3(1)9/h12
    H;
    IZUPBVBPLAPZRR-UHFFFAOYSA-N    		 c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O; Clc1c(O)c
    (Cl)c(Cl)c(Cl)c1Cl; Oc1c(Cl)c(Cl)c(Cl)c(
    Cl)c1Cl    		 PENTACHLOROPHENOL
    32104
    PCJ
    ZINC000098209296    		 7 C54 H105 N O6 S InChI=1S/C54H105NO6S/c1-4
    -7-10-13-16-19-22-25-28-3
    1-34-37-40-43-52(57)55-50
    (46-56)48-62-49-51(61-54(
    59)45-42-39-36-33-30-27-2
    4-21-18-15-12-9-6-3)47-60
    -53(58)44-41-38-35-32-29-
    26-23-20-17-14-11-8-5-2/h
    50-51,56H,4-49H2,1-3H3,(H
    ,55,57)/t50-,51+/m0/s1;
    GBQDHEZHWNJSLG-OKPYTHRESA-N    		 CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)CSC[C@@H]
    (COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC
    CCCCC; CCCCCCCCCCCCCCCC(=O)NC(CO)CSCC(CO
    C(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
    CC; CCCCCCCCCCCCCCCC(=O)N[CH](CO)CSC[CH]
    (COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC
    CCCCC; O=C(OC(CSCC(NC(=O)CCCCCCCCCCCCCCC
    )CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCC
    CC    		 (2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE
    32105
    PCK    		 2 C44 H85 Br4 N O8 P InChI=1S/C44H84Br4NO8P/c1
    -6-8-10-12-16-22-28-39(45
    )41(47)30-24-18-14-20-26-
    32-43(50)54-36-38(37-56-5
    8(52,53)55-35-34-49(3,4)5
    )57-44(51)33-27-21-15-19-
    25-31-42(48)40(46)29-23-1
    7-13-11-9-7-2/h38-42H,6-3
    7H2,1-5H3/p+1/t38-,39-,40
    +,41+,42+/m1/s1;
    YUUHMVDKYQRXLY-LPAYBXTFSA-O    		 CCCCCCCC[CH](Br)[CH](Br)CCCCCCCC(=O)OC[C
    H](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCC
    CCC[CH](Br)[CH](Br)CCCCCCCC; CCCCCCCC[C@
    H]([C@H](CCCCCCCC(=O)OC[C@H](CO[P@](=O)(
    O)OCC[N+](C)(C)C)OC(=O)CCCCCCC[C@@H]([C@
    H](CCCCCCCC)Br)Br)Br)Br; CCCCCCCCC(C(CCC
    CCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC
    (=O)CCCCCCCC(C(CCCCCCCC)Br)Br)Br)Br; BrC
    (CCCCCCCC)C(Br)CCCCCCCC(=O)OCC(OC(=O)CCC
    CCCCC(Br)C(Br)CCCCCCCC)COP(=O)(OCC[N+](C
    )(C)C)O; CCCCCCCC[C@@H](Br)[C@@H](Br)CCC
    CCCCC(=O)OC[C@H](CO[P@@](O)(=O)OCC[N+](C
    )(C)C)OC(=O)CCCCCCC[C@H](Br)[C@@H](Br)CC
    CCCCCC    		 (7R,18S,19R)-18,19-DIBROMO-7-{[(9S,10S)-9,10-DIBROMOOCTADECANOYL]OXY}-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-P HOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE;
    TETRABROMINATED PHOSPHATIDYLCHOLINE;
    1,2-DISTEAROYL(9,10-DIBROMO)-SN-GLYCERO-3-PHOSPHOCHOLINE
    32106
    PCL    		 1 Cl2 Pt InChI=1S/2ClH.Pt/h2*1H;/q
    ;;+2/p-2;
    CLSUSRZJUQMOHH-UHFFFAOYSA-L    		 Cl[Pt]Cl PLATINUM(II) DI-CHLORIDE
    32107
    PCM
    DB03405
    ZINC000014096696    		 1 C32 H42 N4 O7 InChI=1S/C32H42N4O7/c1-21
    (2)15-25(34-31(40)42-19-2
    3-11-7-5-8-12-23)29(38)33
    -27-17-36(18-28(27)37)30(
    39)26(16-22(3)4)35-32(41)
    43-20-24-13-9-6-10-14-24/
    h5-14,21-22,25-27H,15-20H
    2,1-4H3,(H,33,38)(H,34,40
    )(H,35,41)/t25-,26-,27+/m
    0/s1;
    GXENQLUSOCKXDN-GMQQYTKMSA-N    		 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H
    ]2CN(CC2=O)C(=O)[C@H](CC(C)C)NC(=O)OCc3c
    cccc3; CC(C)CC(C(=O)NC1CN(CC1=O)C(=O)C(C
    C(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3;
    CC(C)C[C@@H](C(=O)N[C@@H]1CN(CC1=O)C(=O
    )[C@H](CC(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc
    3ccccc3; CC(C)C[CH](NC(=O)OCc1ccccc1)C(=
    O)N[CH]2CN(CC2=O)C(=O)[CH](CC(C)C)NC(=O)
    OCc3ccccc3; O=C(N2CC(=O)C(NC(=O)C(NC(=O)
    OCc1ccccc1)CC(C)C)C2)C(NC(=O)OCc3ccccc3)
    CC(C)C    		 1-[N[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]-/NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N
    32108
    PCN
    DB03437
    ZINC000033396878    		 1 C14 H19 N5 O5 S2 InChI=1S/C14H19N5O5S2/c1-
    14(2)9(12(22)23)18-11(26-
    14)6(4-20)16-10(21)8(19-2
    4-3)7-5-25-13(15)17-7/h4-
    6,9,11,18H,1-3H3,(H2,15,1
    7)(H,16,21)(H,22,23)/b19-
    8-/t6-,9+,11-/m1/s1;
    YVNKGXXVZIQNIV-RKMXGKDGSA-N    		 CON=C(C(=O)N[CH](C=O)[CH]1N[CH](C(O)=O)C
    (C)(C)S1)c2csc(N)n2; O=C(NC(C=O)C1SC(C(N
    1)C(=O)O)(C)C)/C(=N\OC)c2nc(sc2)N; CO\N=
    C(/C(=O)N[C@H](C=O)[C@@H]1N[C@@H](C(O)=O
    )C(C)(C)S1)c2csc(N)n2; CC1(C(NC(S1)C(C=O
    )NC(=O)C(=NOC)c2csc(n2)N)C(=O)O)C; CC1([
    C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)/C(=N\O
    C)/c2csc(n2)N)C(=O)O)C    		 2-{1-[2-(2-AMINO-THIAZOL-4-YL)-2-METHOXYIMINO-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID
    32109
    PCO
    DB03738
    ZINC000103552970    		 1 C11 H20 N2 O4 S InChI=1S/C11H20N2O4S/c1-1
    1(2,7-14)9(16)10(17)13-4-
    3-8(15)12-5-6-18/h5-6,9,1
    4,16,18H,3-4,7H2,1-2H3,(H
    ,12,15)(H,13,17)/b6-5-/t9
    -/m0/s1;
    GVPONLWGQFZYSV-UDIARPCQSA-N    		 CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N\C=C/S;
    CC(C)(CO)[C@H](C(=O)NCCC(=O)N\C=C/S)O; C
    C(C)(CO)[CH](O)C(=O)NCCC(=O)NC=CS; O=C(N
    \C=C/S)CCNC(=O)C(O)C(C)(C)CO; CC(C)(CO)C
    (C(=O)NCCC(=O)NC=CS)O    		 2,4-DIHYDROXY-N-[2-(2-MERCAPTO-VINYLCARBAMOYL)-ETHYL]-3,3-DIMETHYL-BUTYRAMIDE;
    PANTOTHENOYLAMINOETHENETHIOL
    32110
    PCP
    DB03942
    ZINC000012504044    		 17 C6 H15 O13 P3 InChI=1S/C6H15O13P3/c7-5-
    3(2-17-20(9,10)11)1-4(6(5
    )8)18-22(15,16)19-21(12,1
    3)14/h3-8H,1-2H2,(H,15,16
    )(H2,9,10,11)(H2,12,13,14
    )/t3-,4+,5-,6+/m1/s1;
    OICBXEWBKALHHB-MOJAZDJTSA-N    		 O[C@H]1[C@@H](O)[C@H](C[C@@H]1CO[P](O)(O
    )=O)O[P@@](O)(=O)O[P](O)(O)=O; C1C(C(C(C
    1OP(=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O; C1
    [C@@H]([C@H]([C@H]([C@H]1O[P@](=O)(O)OP(
    =O)(O)O)O)O)COP(=O)(O)O; O[CH]1[CH](O)[C
    H](C[CH]1CO[P](O)(O)=O)O[P](O)(=O)O[P](O
    )(O)=O; O=P(OC1CC(C(O)C1O)COP(=O)(O)O)(O
    )OP(=O)(O)O    		 1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE;
    CARBOXYLIC PRPP;
    CPRPP
    32111
    PCQ
    CHEMBL83116
    DB03346
    ZINC000000294550    		 6 C12 H6 Cl4 O2 InChI=1S/C12H6Cl4O2/c13-7
    -1-5(2-8(14)11(7)17)6-3-9
    (15)12(18)10(16)4-6/h1-4,
    17-18H;
    YCYDXOVJXVALHY-UHFFFAOYSA-N    		 Clc1cc(cc(Cl)c1O)c2cc(Cl)c(O)c(Cl)c2; c1
    c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl; Oc
    1c(Cl)cc(cc1Cl)c2cc(Cl)c(O)c(Cl)c2    		 3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL
    32112
    PCR
    CHEMBL16645
    DB01688
    ZINC000000897142    		 25 C7 H8 O InChI=1S/C7H8O/c1-6-2-4-7
    (8)5-3-6/h2-5,8H,1H3;
    IWDCLRJOBJJRNH-UHFFFAOYSA-N    		 Cc1ccc(cc1)O; Oc1ccc(cc1)C; Cc1ccc(O)cc1 P-CRESOL
    32113
    PCS
    DB08374
    ZINC000002504633    		 1 C10 H12 Cl N O InChI=1S/C10H12ClNO/c11-7
    -10(13)9(12)6-8-4-2-1-3-5
    -8/h1-5,9H,6-7,12H2/t9-/m
    0/s1;
    CNNSBPMDYXZFTQ-VIFPVBQESA-N    		 ClCC(=O)C(N)Cc1ccccc1; N[CH](Cc1ccccc1)C
    (=O)CCl; c1ccc(cc1)CC(C(=O)CCl)N; c1ccc(
    cc1)C[C@@H](C(=O)CCl)N; N[C@@H](Cc1ccccc
    1)C(=O)CCl    		 PHENYLALANYLMETHYLCHLORIDE
    32114
    PCT    		 18 C2 H6 N O4 P InChI=1S/C2H6NO4P/c3-2(4)
    1-8(5,6)7/h1H2,(H2,3,4)(H
    2,5,6,7);
    AKVIWWJLBFWFLM-UHFFFAOYSA-N    		 O=C(N)CP(=O)(O)O; C(C(=O)N)P(=O)(O)O; NC
    (=O)C[P](O)(O)=O    		 PHOSPHONOACETAMIDE
    32115
    PCU    		 0 C44 H36 Cu N8 InChI=1S/C44H36N8.Cu/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;
    VSZLZGDEQJGAOM-UHFFFAOYSA-N    		 c56\C(=C1/C=CN(C=C1)C)c%11ccc%12C(=C2/C=
    CN(C=C2)C)/c%10ccc9C(=C3/C=CN(C=C3)C)/c8
    ccc7C(=C4/C=CN(C=C4)C)/c(cc5)n6[Cu](n78)
    (n9%10)n%11%12; CN1C=CC(=C2c3ccc4n3[Cu]5
    6n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C
    2C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C)
    C=C1; CN1C=CC(C=C1)=C2c3ccc4n3[Cu]56n7c2
    ccc7C(=C8C=CN(C)C=C8)c9ccc(n59)C(=C%10C=
    CN(C)C=C%10)c%11ccc(n6%11)C4=C%12C=CN(C)
    C=C%12    		 CU(II)MESO(4-N-TETRAMETHYLPYRIDYL)PORPHYRIN
    32116
    PCV    		 1 C8 H14 N2 O4 InChI=1S/C8H14N2O4/c9-3-1
    -5(11)7(8(13)14)10-4-2-6(
    10)12/h5,7,11H,1-4,9H2,(H
    ,13,14)/t5-,7+/m1/s1;
    NMCINKPVAOXDJH-VDTYLAMSSA-N    		 O=C1N(C(C(=O)O)C(O)CCN)CC1; NCC[CH](O)[C
    H](N1CCC1=O)C(O)=O; NCC[C@@H](O)[C@H](N1
    CCC1=O)C(O)=O; C1CN(C1=O)C(C(CCN)O)C(=O)
    O; C1CN(C1=O)[C@@H]([C@@H](CCN)O)C(=O)O    		 5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID;
    PROCLAVAMINIC ACID
    32117
    PCW
    DB03690
    ZINC000085546471    		 0 C44 H85 N O8 P InChI=1S/C44H84NO8P/c1-6-
    8-10-12-14-16-18-20-22-24
    -26-28-30-32-34-36-43(46)
    50-40-42(41-52-54(48,49)5
    1-39-38-45(3,4)5)53-44(47
    )37-35-33-31-29-27-25-23-
    21-19-17-15-13-11-9-7-2/h
    20-23,42H,6-19,24-41H2,1-
    5H3/p+1/b22-20-,23-21-/t4
    2-/m1/s1;
    SNKAWJBJQDLSFF-NVKMUCNASA-O    		 CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC
    [N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC; CC
    CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@](O)
    (=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCC
    CCCCC; O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCCC
    C)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCC\C=C/C
    CCCCCCC; CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H
    ](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCC
    CCCC\C=C/CCCCCCCC; CCCCCCCCC=CCCCCCCCC(=
    O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=
    O)CCCCCCCC=CCCCCCCCC    		 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE;
    (Z,Z)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-[(1-OXO-9-OCTADECENYL)OXY]-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-18-EN-1-AMINIUM-4-OXIDE
    32118
    PCX
    DB02475
    ZINC000001530512    		 4 C9 H16 N4 O3 InChI=1S/C9H16N4O3/c10-9(
    11)12-4-1-2-6(8(15)16)13-
    5-3-7(13)14/h6H,1-5H2,(H,
    15,16)(H4,10,11,12)/t6-/m
    0/s1;
    UYADDEKIZFRINK-LURJTMIESA-N    		 [H]N=C(N)NCCCC(C(=O)O)N1CCC1=O; O=C(O)C(
    N1C(=O)CC1)CCCNC(=[N@H])N; NC(=N)NCCC[CH
    ](N1CCC1=O)C(O)=O; [H]/N=C(/N)\NCCC[C@@H
    ](C(=O)O)N1CCC1=O; NC(=N)NCCC[C@H](N1CCC
    1=O)C(O)=O    		 DEOXYGUANIDINOPROCLAVAMINIC ACID
    32119
    PCY
    CHEMBL458512
    ZINC000044358916    		 0 C28 H38 N4 O8 InChI=1S/C28H38N4O8/c1-15
    -9-7-12-20(35)21(15)24(36
    )40-14-27(39)23(30-19-11-
    8-10-18(13-19)16(2)33)22(
    29)28(17(3)34,26(27,4)38)
    31-25(37)32(5)6/h7-13,17,
    22-23,30,34-35,38-39H,14,
    29H2,1-6H3,(H,31,37)/t17-
    ,22-,23-,26-,27+,28-/m0/s
    1;
    WVIUOSJLUCTGFK-JUJPXXQGSA-N    		 C[CH](O)[C]1(NC(=O)N(C)C)[CH](N)[CH](Nc2
    cccc(c2)C(C)=O)[C](O)(COC(=O)c3c(C)cccc3
    O)[C]1(C)O; Cc1cccc(c1C(=O)OC[C@]2([C@H]
    ([C@@H]([C@]([C@@]2(C)O)([C@H](C)O)NC(=O
    )N(C)C)N)Nc3cccc(c3)C(=O)C)O)O; C[C@H](O
    )[C@]1(NC(=O)N(C)C)[C@@H](N)[C@H](Nc2ccc
    c(c2)C(C)=O)[C@](O)(COC(=O)c3c(C)cccc3O)
    [C@]1(C)O; Cc1cccc(c1C(=O)OCC2(C(C(C(C2(
    C)O)(C(C)O)NC(=O)N(C)C)N)Nc3cccc(c3)C(=O
    )C)O)O; O=C(c1cc(ccc1)NC2C(O)(C(O)(C(NC(
    =O)N(C)C)(C2N)C(O)C)C)COC(=O)c3c(cccc3O)
    C)C    		 Pactamycin
    32120
    PCZ    		 0 C14 H15 N5 O5 S2 InChI=1S/C14H15N5O5S2/c1-
    6-4-25-12(18-9(6)13(22)23
    )7(3-20)16-11(21)10(19-24
    -2)8-5-26-14(15)17-8/h3,5
    ,7,12H,1,4H2,2H3,(H2,15,1
    7)(H,16,21)(H,22,23)/b19-
    10-/t7-,12-/m1/s1;
    NRYMPLKBKFIWQC-YVCCLBOHSA-N    		 CO/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@
    H]2N=C(C(=C)CS2)C(=O)O; CO\N=C(/C(=O)N[C
    @H](C=O)[C@H]1SCC(=C)C(=N1)C(O)=O)c2csc(
    N)n2; O=CC(C1N=C(C(=C)\CS1)C(=O)O)NC(=O)
    \C(=N/OC)c2csc(n2)N; CON=C(c1csc(n1)N)C(
    =O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O; CON=C(C
    (=O)N[CH](C=O)[CH]1SCC(=C)C(=N1)C(O)=O)c
    2csc(N)n2    		 (2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid;
    CEFOTAXIME PRODUCT, OPEN FORM;
    PCNOTAXIME GROUP
    32121
    PD    		 6 Pd InChI=1S/Pd/q+2;
    MUJIDPITZJWBSW-UHFFFAOYSA-N    		 [Pd++]; [Pd+2] PALLADIUM ION
    32122
    PD1
    CHEMBL189584
    ZINC000003870533    		 2 C28 H41 N7 O3 InChI=1S/C28H41N7O3/c1-8-
    35(9-2)13-11-10-12-29-26-
    30-18-20-16-23(19-14-21(3
    7-6)17-22(15-19)38-7)25(3
    1-24(20)32-26)33-27(36)34
    -28(3,4)5/h14-18H,8-13H2,
    1-7H3,(H3,29,30,31,32,33,
    34,36);
    DXCUKNQANPLTEJ-UHFFFAOYSA-N    		 CCN(CC)CCCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)
    (C)C)c3cc(cc(c3)OC)OC; O=C(NC(C)(C)C)Nc1
    nc3nc(ncc3cc1c2cc(OC)cc(OC)c2)NCCCCN(CC)
    CC; CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C
    )C)nc2n1)c3cc(OC)cc(OC)c3    		 1-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-PHENYL)-2-(4-DIETHYLAMINO-BUTYLAMINO)-PYRIDO[2,3-D]PYRIMIDIN-7-YL]-UREA;
    PD 173074
    32123
    PD2
    CHEMBL316034
    ZINC000000391915    		 26 C7 H5 N O4 InChI=1S/C7H5NO4/c9-6(10)
    4-1-2-8-5(3-4)7(11)12/h1-
    3H,(H,9,10)(H,11,12);
    MJIVRKPEXXHNJT-UHFFFAOYSA-N    		 OC(=O)c1ccnc(c1)C(O)=O; O=C(O)c1nccc(C(=
    O)O)c1; c1cnc(cc1C(=O)O)C(=O)O    		 PYRIDINE-2,4-DICARBOXYLIC ACID
    32124
    PD3
    ZINC000039715027    		 1 C25 H24 F3 N7 O InChI=1S/C25H24F3N7O/c26-
    25(27,28)16-6-4-8-18(13-1
    6)33-24(36)32-17-7-3-5-15
    (11-17)12-20-21-22(29)30-
    14-31-23(21)35(34-20)19-9
    -1-2-10-19/h3-8,11,13-14,
    19H,1-2,9-10,12H2,(H2,29,
    30,31)(H2,32,33,36);
    RKZUINFXRREENO-UHFFFAOYSA-N    		 FC(F)(F)c1cc(ccc1)NC(=O)Nc2cccc(c2)Cc4nn
    (c3ncnc(c34)N)C5CCCC5; c1cc(cc(c1)NC(=O)
    Nc2cccc(c2)C(F)(F)F)Cc3c4c(ncnc4n(n3)C5C
    CCC5)N; Nc1ncnc2n(nc(Cc3cccc(NC(=O)Nc4cc
    cc(c4)C(F)(F)F)c3)c12)C5CCCC5    		 1-{3-[(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
    32125
    PD4
    CHEMBL564374
    ZINC000043012764    		 1 C24 H32 N6 O4 InChI=1S/C24H32N6O4/c1-3-
    13-33-16-12-30-23-20(6-5-
    19(28-23)18-4-7-21(32-2)2
    6-17-18)27-22(24(30)31)25
    -8-9-29-10-14-34-15-11-29
    /h4-7,17H,3,8-16H2,1-2H3,
    (H,25,27);
    KSAKYDGQTISGJC-UHFFFAOYSA-N    		 CCCOCCN1c2c(ccc(n2)c3ccc(nc3)OC)N=C(C1=O
    )NCCN4CCOCC4; O=C3N(c4nc(c1ccc(OC)nc1)cc
    c4N=C3NCCN2CCOCC2)CCOCCC; CCCOCCN1C(=O)C
    (=Nc2ccc(nc12)c3ccc(OC)nc3)NCCN4CCOCC4    		 6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
    32126
    PD5
    ZINC000039193038    		 3 C22 H20 F3 N7 O InChI=1S/C22H20F3N7O/c1-1
    2(2)32-20-17(19(26)27-11-
    28-20)18(31-32)13-6-8-15(
    9-7-13)29-21(33)30-16-5-3
    -4-14(10-16)22(23,24)25/h
    3-12H,1-2H3,(H2,26,27,28)
    (H2,29,30,33);
    LEERPLGXOHLQPF-UHFFFAOYSA-N    		 CC(C)n1c2c(c(n1)c3ccc(cc3)NC(=O)Nc4cccc(
    c4)C(F)(F)F)c(ncn2)N; CC(C)n1nc(c2ccc(NC
    (=O)Nc3cccc(c3)C(F)(F)F)cc2)c4c(N)ncnc14
    ; FC(F)(F)c1cc(ccc1)NC(=O)Nc4ccc(c3nn(c2
    ncnc(c23)N)C(C)C)cc4    		 1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea;
    1-(4-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
    32127
    PD6    		 1 C18 H19 N3 O InChI=1S/C18H19N3O/c1-2-3
    -10-21-11-9-16(22)17-15(2
    1)12-14(20-18(17)19)13-7-
    5-4-6-8-13/h4-9,11-12H,2-
    3,10H2,1H3,(H2,19,20);
    RLCFNIHFDBMYES-UHFFFAOYSA-N    		 CCCCN1C=CC(=O)c2c(N)nc(cc12)c3ccccc3; CC
    CCN1C=CC(=O)c2c1cc(nc2N)c3ccccc3    		 5-amino-1-butyl-7-phenyl-1,6-naphthyridin-4(1H)-one
    32128
    PD7
    CHEMBL482505
    DB08376
    ZINC000013544791    		 0 C17 H33 O8 P InChI=1S/C17H33O8P/c1-3-5
    -7-9-11-16(18)23-13-15(14
    -24-26(20,21)22)25-17(19)
    12-10-8-6-4-2/h15H,3-14H2
    ,1-2H3,(H2,20,21,22)/t15-
    /m1/s1;
    JAXUAGQDLYDLQB-OAHLLOKOSA-N    		 O=P(O)(OCC(OC(=O)CCCCCC)COC(=O)CCCCCC)O;
    CCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CC
    CCCC; CCCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC
    (=O)CCCCCC; CCCCCCC(=O)OC[C@H](CO[P](O)(
    O)=O)OC(=O)CCCCCC; CCCCCCC(=O)OCC(COP(=O
    )(O)O)OC(=O)CCCCCC    		 (2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate
    32129
    PD8
    DB03830
    ZINC000012503950    		 1 C14 H13 N6 O6 P InChI=1S/C14H13N6O6P/c15-
    14-19-11-10(12(21)20-14)1
    8-9(6-17-11)5-16-8-3-1-7(
    2-4-8)13(22)26-27(23,24)2
    5/h1-4,6,16H,5H2,(H2,23,2
    4,25)(H3,15,17,19,20,21);
    DNKVHXNVVYQUDC-UHFFFAOYSA-N    		 O=P(O)(O)OC(=O)c1ccc(cc1)NCc2nc3C(=O)NC(
    =Nc3nc2)N; NC1=Nc2ncc(CNc3ccc(cc3)C(=O)O
    [P](O)(O)=O)nc2C(=O)N1; c1cc(ccc1C(=O)OP
    (=O)(O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N    		 PHOSPHORYLATED DIHYDROPTEROATE
    32130
    PD9
    CHEMBL953
    DB00494
    ZINC000035342787    		 1 C14 H15 N3 O5 InChI=1S/C14H15N3O5/c1-3-
    16(4-2)14(20)10(8-15)5-9-
    6-11(17(21)22)13(19)12(18
    )7-9/h5-7,18-19H,3-4H2,1-
    2H3/b10-5+;
    JRURYQJSLYLRLN-BJMVGYQFSA-N    		 CCN(CC)C(=O)/C(=C/c1cc(c(c(c1)O)O)[N+](=
    O)[O-])/C#N; CCN(CC)C(=O)C(=Cc1cc(c(c(c1
    )O)O)[N+](=O)[O-])C#N; CCN(CC)C(=O)C(=Cc
    1cc(O)c(O)c(c1)[N+]([O-])=O)C#N; CCN(CC)
    C(=O)C(=C/c1cc(O)c(O)c(c1)[N+]([O-])=O)/
    C#N    		 (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide
    32131
    PDA
    DB04467
    ZINC000002046812    		 33 C11 H17 N2 O7 P InChI=1S/C11H17N2O7P/c1-6
    -10(14)9(4-13-7(2)11(15)1
    6)8(3-12-6)5-20-21(17,18)
    19/h3,7,13-14H,4-5H2,1-2H
    3,(H,15,16)(H2,17,18,19)/
    t7-/m0/s1;
    WACJCHFWJNNBPR-ZETCQYMHSA-N    		 C[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)
    =O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)
    C; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O
    )O; C[C@H](NCc1c(O)c(C)ncc1CO[P](O)(O)=O
    )C(O)=O    		 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID;
    PYRIDOXYL-ALANINE-5-PHOSPHATE
    32132
    PDB
    CHEMBL1513993
    ZINC000013829341    		 4 C15 H12 Cl F3 N4 O InChI=1S/C15H12ClF3N4O/c1
    -8(15(17,18)19)6-12-21-13
    -9(14(24)22-12)7-20-23(13
    )11-5-3-2-4-10(11)16/h2-5
    ,7-8H,6H2,1H3,(H,21,22,24
    )/t8-/m1/s1;
    FFPXPXOAFQCNBS-MRVPVSSYSA-N    		 FC(F)(F)C(C)CC1=NC(=O)c2c(N1)n(nc2)c3ccc
    cc3Cl; CC(CC1=NC(=O)c2cnn(c2N1)c3ccccc3C
    l)C(F)(F)F; C[CH](CC1=NC(=O)c2cnn(c2N1)c
    3ccccc3Cl)C(F)(F)F; C[C@H](CC1=NC(=O)c2c
    nn(c2N1)c3ccccc3Cl)C(F)(F)F    		 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
    32133
    PDC
    CHEMBL284104
    DB04267
    ZINC000000105246    		 58 C7 H5 N O4 InChI=1S/C7H5NO4/c9-6(10)
    4-2-1-3-5(8-4)7(11)12/h1-
    3H,(H,9,10)(H,11,12);
    WJJMNDUMQPNECX-UHFFFAOYSA-N    		 O=C(O)c1nc(C(=O)O)ccc1; OC(=O)c1cccc(n1)
    C(O)=O; c1cc(nc(c1)C(=O)O)C(=O)O    		 PYRIDINE-2,6-DICARBOXYLIC ACID;
    DIPICOLINIC ACID
    32134
    PDD
    DB01993
    ZINC000002047235    		 12 C11 H17 N2 O7 P InChI=1S/C11H17N2O7P/c1-6
    -10(14)9(4-13-7(2)11(15)1
    6)8(3-12-6)5-20-21(17,18)
    19/h3,7,13-14H,4-5H2,1-2H
    3,(H,15,16)(H2,17,18,19)/
    t7-/m1/s1;
    WACJCHFWJNNBPR-SSDOTTSWSA-N    		 C[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)
    =O; C[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)C; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)
    C(=O)O)O; Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@
    H](C)C(=O)O)O    		 N-(5'-PHOSPHOPYRIDOXYL)-D-ALANINE
    32135
    PDE
    DB08411
    ZINC000006486903    		 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-/m0/s1;
    KBXXIYHMPQZHCH-VIFPVBQESA-N    		 O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)CCCC(=O)N
    C(C(=O)O)C; C[C@@H](C(=O)O)NC(=O)CCC[P@@
    ](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]; C[CH](N
    C(=O)CCC[P](O)(=O)Oc1ccc(cc1)[N+]([O-])=
    O)C(O)=O; CC(C(=O)O)NC(=O)CCCP(=O)(O)Oc1
    ccc(cc1)[N+](=O)[O-]; C[C@H](NC(=O)CCC[P
    @](O)(=O)Oc1ccc(cc1)[N+]([O-])=O)C(O)=O    		 PARA-NITROPHENYL PHOSPHONOBUTANOYL D-ALANINE
    32136
    PDF
    ZINC000033604896    		 0 C5 H7 F2 N O2 InChI=1S/C5H7F2NO2/c6-5(7
    )1-3(4(9)10)8-2-5/h3,8H,1
    -2H2,(H,9,10)/t3-/m0/s1;
    ZPBIYZHGBPBZCK-VKHMYHEASA-N    		 C1[C@H](NCC1(F)F)C(=O)O; C1C(NCC1(F)F)C(
    =O)O; OC(=O)[C@@H]1CC(F)(F)CN1; OC(=O)[C
    H]1CC(F)(F)CN1; O=C(O)C1NCC(F)(F)C1    		 4,4-difluoro-L-proline
    32137
    PDG
    DB04762
    ZINC000012501129    		 23 C13 H19 N2 O9 P InChI=1S/C13H19N2O9P/c1-7
    -12(18)9(8(4-14-7)6-24-25
    (21,22)23)5-15-10(13(19)2
    0)2-3-11(16)17/h4,10,15,1
    8H,2-3,5-6H2,1H3,(H,16,17
    )(H,19,20)(H2,21,22,23)/t
    10-/m1/s1;
    JMRKOGDJNHPMHS-SNVBAGLBSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCC(=O)O)C(
    =O)O)O; Cc1ncc(CO[P](O)(O)=O)c(CN[C@H](C
    CC(O)=O)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)
    (O)O)CN[C@H](CCC(=O)O)C(=O)O)O; Cc1ncc(C
    O[P](O)(O)=O)c(CN[CH](CCC(O)=O)C(O)=O)c1
    O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C
    CC(=O)O    		 N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-GLUTAMIC ACID;
    N-PYRIDOXYL-D-GLUTAMIC ACID-5'-MONOPHOSPHATE
    32138
    PDH
    CHEMBL1235200
    ZINC000006731959    		 0 C9 H13 N O InChI=1S/C9H13NO/c10-9(7-
    11)6-8-4-2-1-3-5-8/h1-5,9
    ,11H,6-7,10H2/t9-/m1/s1;
    STVVMTBJNDTZBF-SECBINFHSA-N    		 c1ccc(cc1)C[C@H](CO)N; N[C@@H](CO)Cc1ccc
    cc1; N[CH](CO)Cc1ccccc1; c1ccc(cc1)CC(CO
    )N; OCC(N)Cc1ccccc1    		 (2S)-2-AMINO-3-PHENYL-1-PROPANOL;
    D-PHENYLALANINOL
    32139
    PDI
    ZINC000005113578    		 0 C3 H9 O5 P InChI=1S/C3H9O5P/c4-2-1-3
    -8-9(5,6)7/h4H,1-3H2,(H2,
    5,6,7);
    HYCSHFLKPSMPGO-UHFFFAOYSA-N    		 C(CO)COP(=O)(O)O; O=P(O)(O)OCCCO; OCCCO[
    P](O)(O)=O    		 PHOSPHORIC ACID MONO-(3-HYDROXY-PROPYL) ESTER
    32140
    PDJ
    ZINC000058638622    		 1 C38 H75 N O5 S InChI=1S/C38H75NO5S/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-37(41)43-32-36
    (34-45-33-35(39)31-40)44-
    38(42)30-28-26-24-22-20-1
    8-16-14-12-10-8-6-4-2/h35
    -36,40H,3-34,39H2,1-2H3/t
    35-,36-/m1/s1;
    BRVXVNDGAKVNMP-LQFQNGICSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C
    O)OC(=O)CCCCCCCCCCCCCCC; O=C(OC(CSCC(N)C
    O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
    ; CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](
    CO)N)OC(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCC
    CCCC(=O)OCC(CSCC(CO)N)OC(=O)CCCCCCCCCCCC
    CCC; CCCCCCCCCCCCCCCC(=O)OC[CH](CSC[CH](
    N)CO)OC(=O)CCCCCCCCCCCCCCC    		 (2R)-3-{[(2R)-2-AMINO-3-HYDROXYPROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE
    32141
    PDK    		 1 C47 H87 N4 O17 P InChI=1S/C47H87N4O17P/c1-
    3-5-7-9-11-13-15-17-19-21
    -23-25-46(61)65-38-40(68-
    47(62)26-24-22-20-18-16-1
    4-12-10-8-6-4-2)39-67-69(
    63,64)66-32-27-48-41(52)3
    3-50(35-43(55)56)30-28-49
    (34-42(53)54)29-31-51(36-
    44(57)58)37-45(59)60/h40H
    ,3-39H2,1-2H3,(H,48,52)(H
    ,53,54)(H,55,56)(H,57,58)
    (H,59,60)(H,63,64)/t40-/m
    1/s1;
    DAAFWSGIXJNAQE-RRHRGVEJSA-N    		 CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O
    )CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=
    O)O)OC(=O)CCCCCCCCCCCCC; CCCCCCCCCCCCCC(
    =O)OC[C@H](CO[P@@](=O)(O)OCCNC(=O)C[N@](
    CC[N@@](CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=
    O)O)OC(=O)CCCCCCCCCCCCC; CCCCCCCCCCCCCC(
    =O)OC[CH](CO[P](O)(=O)OCCNC(=O)CN(CCN(CC
    N(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)OC(=O)
    CCCCCCCCCCCCC; CCCCCCCCCCCCCC(=O)OC[C@H]
    (CO[P](O)(=O)OCCNC(=O)CN(CCN(CCN(CC(O)=O
    )CC(O)=O)CC(O)=O)CC(O)=O)OC(=O)CCCCCCCCC
    CCCC; O=C(NCCOP(=O)(OCC(OC(=O)CCCCCCCCCC
    CCC)COC(=O)CCCCCCCCCCCCC)O)CN(CC(=O)O)CC
    N(CC(=O)O)CCN(CC(=O)O)CC(=O)O    		 (10S,13R)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide;
    PE-DTPA
    32142
    PDL    		 0 C11 H17 N2 O7 P InChI=1/C11H17N2O7P/c1-6-
    10(14)9(4-13-7(2)11(15)16
    )8(3-12-6)5-20-21(17,18)1
    9/h3,7,13-14H,4-5H2,1-2H3
    ,(H,15,16)(H2,17,18,19)/t
    7-/m0/s1/f/h15,17-18H;
    WACJCHFWJNNBPR-QVTHEYPJDI    		 Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O
    )O)O; C[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=
    O)C(O)=O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O
    )(O)O)C; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)
    C(=O)O)O; C[C@H](NCc1c(O)c(C)ncc1CO[P](O
    )(O)=O)C(O)=O    		 N-(5'-PHOSPHOPYRIDOXYL)-L-ALANINE
    32143
    PDM
    DB08378
    ZINC000033396944    		 2 C14 H16 N2 O5 InChI=1S/C14H16N2O5/c17-1
    1(5-8-14(20)21)15-9-1-3-1
    0(4-2-9)16-12(18)6-7-13(1
    6)19/h1-4,11,15,17H,5-8H2
    ,(H,20,21)/t11-/m0/s1;
    SUETUOGYOWOLNJ-NSHDSACASA-N    		 O[CH](CCC(O)=O)Nc1ccc(cc1)N2C(=O)CCC2=O;
    c1cc(ccc1NC(CCC(=O)O)O)N2C(=O)CCC2=O; O
    [C@@H](CCC(O)=O)Nc1ccc(cc1)N2C(=O)CCC2=O
    ; O=C(O)CCC(O)Nc1ccc(cc1)N2C(=O)CCC2=O    		 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID;
    PARA-PHENYL DIMALEMIDE
    32144
    PDN
    ZINC000118913122    		 10 C21 H26 O5 InChI=1S/C21H26O5/c1-19-7
    -5-13(23)9-12(19)3-4-14-1
    5-6-8-21(26,17(25)11-22)2
    0(15,2)10-16(24)18(14)19/
    h5,7,9,11,14-15,18,22,25-
    26H,3-4,6,8,10H2,1-2H3/b1
    7-11-/t14-,15-,18+,19-,20
    -,21-/m0/s1;
    WZTZVUUYKIOIRV-LMZHSBCYSA-N    		 CC12CC(=O)C3C(C1CCC2(C(=CO)O)O)CCC4=CC(=
    O)C=CC34C; C[C@]12CC(=O)[C@H]3[C@@H](CCC
    4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)\C(O
    )=C\O; C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1C
    C[C@@]2(C(=CO)O)O)CCC4=CC(=O)C=C[C@]34C;
    O=C2CC4(C(C3CCC1=CC(=O)C=CC1(C)C23)CCC4
    (O)C(\O)=C\O)C; C[C]12CC(=O)[CH]3[CH](CC
    C4=CC(=O)C=C[C]34C)[CH]1CC[C]2(O)C(O)=CO    		 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE;
    PREDNISONE;
    1,4 PREGNADIENE-17ALPHA,21-DIOL-3,11,20-TRIONE;
    1-CORTISONE;
    DEHYDROCORTISONE
    32145
    PDO
    CHEMBL379652
    DB02774
    ZINC000001529437    		 165 C3 H8 O2 InChI=1S/C3H8O2/c4-2-1-3-
    5/h4-5H,1-3H2;
    YPFDHNVEDLHUCE-UHFFFAOYSA-N    		 C(CO)CO; OCCCO 1,3-PROPANDIOL
    32146
    PDP    		 8 C8 H11 N O9 P2 InChI=1S/C8H11NO9P2/c1-5-
    8(11)7(3-10)6(2-9-5)4-17-
    20(15,16)18-19(12,13)14/h
    2-3,11H,4H2,1H3,(H,15,16)
    (H2,12,13,14);
    BLPOUZDLIYAHLN-UHFFFAOYSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)OP(=O)(O)O)C=O)O;
    O=P(O)(O)OP(=O)(O)OCc1cnc(c(O)c1C=O)C;
    Cc1ncc(CO[P](O)(=O)O[P](O)(O)=O)c(C=O)c1
    O; Cc1ncc(CO[P@@](O)(=O)O[P](O)(O)=O)c(C
    =O)c1O; Cc1c(c(c(cn1)CO[P@](=O)(O)OP(=O)
    (O)O)C=O)O    		 PYRIDOXAL-5'-DIPHOSPHATE
    32147
    PDQ
    CHEMBL383917    		 6 C18 H24 F N5 O2 InChI=1S/C18H24FN5O2/c1-9
    -15-13(17(25)24(21)18(26)
    23(15)12-3-4-12)7-14(19)1
    6(9)22-6-5-11(8-22)10(2)2
    0/h7,10-12H,3-6,8,20-21H2
    ,1-2H3/t10-,11+/m0/s1;
    SMONLCFJGCJROJ-WDEREUQCSA-N    		 Cc1c2c(cc(c1N3CC[C@H](C3)[C@H](C)N)F)C(=
    O)N(C(=O)N2C4CC4)N; O=C2c1cc(F)c(c(c1N(C
    (=O)N2N)C3CC3)C)N4CCC(C(N)C)C4; C[CH](N)
    [CH]1CCN(C1)c2c(C)c3N(C4CC4)C(=O)N(N)C(=
    O)c3cc2F; C[C@H](N)[C@@H]1CCN(C1)c2c(C)c
    3N(C4CC4)C(=O)N(N)C(=O)c3cc2F; Cc1c2c(cc
    (c1N3CCC(C3)C(C)N)F)C(=O)N(C(=O)N2C4CC4)
    N    		 3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione
    32148
    PDR
    ZINC000035979149    		 4 C17 H15 Cl N4 O2 InChI=1S/C17H15ClN4O2/c1-
    22-8-10(12-6-9-11(18)4-5-
    19-16(9)20-12)15-13(22)7-
    14(23-2)17(21-15)24-3/h4-
    8H,1-3H3,(H,19,20);
    ISLVGFDZMORPFI-UHFFFAOYSA-N    		 COc1cc2n(C)cc(c3[nH]c4nccc(Cl)c4c3)c2nc1
    OC; Clc3c4cc(c2c1nc(OC)c(OC)cc1n(c2)C)nc
    4ncc3; Cn1cc(c2c1cc(c(n2)OC)OC)c3cc4c(cc
    nc4[nH]3)Cl    		 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-1H-pyrrolo[3,2-b]pyridine
    32149
    PDS
    ZINC000016052741    		 2 C27 H28 N4 O2 InChI=1S/C27H28N4O2/c1-16
    -22(18-10-5-7-12-20(18)28
    -16)24-25(27(33)29-26(24)
    32)23-17(2)31(15-9-14-30(
    3)4)21-13-8-6-11-19(21)23
    /h5-8,10-13,28H,9,14-15H2
    ,1-4H3,(H,29,32,33);
    OHIVGFJSFMOMNC-UHFFFAOYSA-N    		 Cc1c(c2ccccc2[nH]1)C3=C(C(=O)NC3=O)c4c(n
    (c5c4cccc5)CCCN(C)C)C; O=C5C(c2c1ccccc1n
    c2C)=C(c4c3ccccc3n(c4C)CCCN(C)C)C(=O)N5;
    CN(C)CCCn1c(C)c(c2ccccc12)C3=C(C(=O)NC3
    =O)c4c(C)[nH]c5ccccc45    		 3-{1-[3-(DIMETHYLAMINO)PROPYL]-2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
    32150
    PDT
    ZINC000003860693    		 4 C3 H8 S2 InChI=1S/C3H8S2/c4-2-1-3-
    5/h4-5H,1-3H2;
    ZJLMKPKYJBQJNH-UHFFFAOYSA-N    		 C(CS)CS; SCCCS 1,3-PROPANEDITHIOL
    32151
    PDU
    CHEMBL3142713
    ZINC000013604356    		 0 C12 H15 N2 O8 P InChI=1S/C12H15N2O8P/c1-2
    -3-7-5-14(12(17)13-11(7)1
    6)10-4-8(15)9(22-10)6-21-
    23(18,19)20/h5,8-10,15H,4
    ,6H2,1H3,(H,13,16,17)(H2,
    18,19,20)/t8-,9+,10+/m0/s
    1;
    NUOBVCABUBRVOG-IVZWLZJFSA-N    		 CC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H]
    (O2)COP(=O)(O)O)O; CC#CC1=CN(C(=O)NC1=O)
    C2CC(C(O2)COP(=O)(O)O)O; CC#CC1=CN([C@H]
    2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)N
    C1=O; CC#CC1=CN([CH]2C[CH](O)[CH](CO[P](
    O)(O)=O)O2)C(=O)NC1=O    		 5(1-PROPYNYL)-2'-DEOXYURIDINE-5-MONOPHOSPHATE
    32152
    PDV    		 1 H O7 V2 InChI=1S/H2O.6O.2V/h1H2;;
    ;;;;;;/q;;;4*-1;;+1/p-1;
    YWFXIPDXSJHXJM-UHFFFAOYSA-M    		 O[V]1([O-])([O-])O[V]([O-])([O-])O1; O[V
    ]1(O[V](O1)([O-])[O-])([O-])[O-]    		 Divanadate ion
    32153
    PDW
    ZINC000053151193    		 0 C6 H11 N O2 InChI=1S/C6H11NO2/c1-9-6(
    8)5-3-2-4-7-5/h5,7H,2-4H2
    ,1H3/t5-/m1/s1;
    BLWYXBNNBYXPPL-RXMQYKEDSA-N    		 COC(=O)[C@H]1CCCN1; COC(=O)[CH]1CCCN1; C
    OC(=O)C1CCCN1; O=C(OC)C1NCCC1    		 methyl D-prolinate
    32154
    PDX
    DB02879
    ZINC000031976877    		 11 C6 H12 O12 S2 InChI=1S/C6H12O12S2/c7-1-
    2-3(8)4(17-19(10,11)12)5(
    6(9)16-2)18-20(13,14)15/h
    2-9H,1H2,(H,10,11,12)(H,1
    3,14,15)/t2-,3-,4+,5-,6+/
    m1/s1;
    ORUZACWROKWTRH-DVKNGEFBSA-N    		 OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O
    [S](O)(=O)=O)[CH]1O; OC[C@H]1O[C@H](O)[C
    @H](O[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[
    C@@H]1O; C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS
    (=O)(=O)O)O)O; C([C@@H]1[C@H]([C@@H]([C@
    H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)
    O; O=S(=O)(O)OC1C(O)C(OC(O)C1OS(=O)(=O)O
    )CO    		 2,3-di-O-sulfo-alpha-D-glucopyranose;
    2,3-di-O-sulfo-alpha-D-glucose;
    2,3-di-O-sulfo-D-glucose;
    2,3-di-O-sulfo-glucose
    32155
    PDY
    CHEMBL1235213
    ZINC000058633578    		 25 C20 H26 N6 O InChI=1S/C20H26N6O/c1-3-2
    7-17-8-6-15(7-9-17)24-20-
    14(2)19(23-16-5-4-11-21-1
    3-16)25-18-10-12-22-26(18
    )20/h6-10,12,16,21,24H,3-
    5,11,13H2,1-2H3,(H,23,25)
    /t16-/m0/s1;
    WJOUGMPFYANZMI-INIZCTEOSA-N    		 CCOc1ccc(cc1)Nc2c(c(nc3n2ncc3)N[C@H]4CCC
    NC4)C; CCOc1ccc(cc1)Nc2c(c(nc3n2ncc3)NC4
    CCCNC4)C; CCOc1ccc(Nc2n3nccc3nc(N[C@H]4C
    CCNC4)c2C)cc1; n3c(NC1CCCNC1)c(c(Nc2ccc(
    OCC)cc2)n4nccc34)C; CCOc1ccc(Nc2n3nccc3n
    c(N[CH]4CCCNC4)c2C)cc1    		 N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;
    {5-[((3S)(3-piperidyl))amino]-6-methyl(pyrazolo[1,5-a]pyrimidin-7-yl)}(4-ethoxyphenyl)amine
    32156
    PDZ
    CHEMBL479032
    DB08379
    ZINC000040404526    		 1 C17 H12 Cl F N2 O2 InChI=1S/C17H12ClFN2O2/c1
    8-14-8-6-11(10-12-7-9-15(
    22)21-20-12)16(19)17(14)2
    3-13-4-2-1-3-5-13/h1-9H,1
    0H2,(H,21,22);
    NOVPOXGMADEKPP-UHFFFAOYSA-N    		 O=C1C=CC(=NN1)Cc3ccc(Cl)c(Oc2ccccc2)c3F;
    Fc1c(CC2=NNC(=O)C=C2)ccc(Cl)c1Oc3ccccc3
    ; c1ccc(cc1)Oc2c(ccc(c2F)CC3=NNC(=O)C=C3
    )Cl    		 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one
    32157
    PE0
    CHEMBL278009
    ZINC000017819771    		 22 C6 H5 N5 O InChI=1S/C6H5N5O/c7-6-10-
    4-3(5(12)11-6)8-1-2-9-4/h
    1-2H,(H3,7,9,10,11,12);
    HNXQXTQTPAJEJL-UHFFFAOYSA-N    		 c1cnc2c(n1)C(=O)NC(=N2)N; NC1=Nc2nccnc2C
    (=O)N1; O=C1c2nccnc2N=C(N1)N    		 PTERINE
    32158
    PE1
    ZINC000013527831    		 8 C14 H24 N3 O7 P InChI=1S/C14H24N3O7P/c1-9
    -13(18)11(10(6-16-9)8-24-
    25(21,22)23)7-17-12(14(19
    )20)4-2-3-5-15/h6,12,17-1
    8H,2-5,7-8,15H2,1H3,(H,19
    ,20)(H2,21,22,23)/t12-/m0
    /s1;
    GQMAOPRRHWJXFB-LBPRGKRZSA-N    		 O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCC
    N; Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC
    CN)C(=O)O)O; Cc1ncc(CO[P](O)(O)=O)c(CN[C
    @@H](CCCCN)C(O)=O)c1O; Cc1c(c(c(cn1)COP(
    =O)(O)O)CNC(CCCCN)C(=O)O)O; Cc1ncc(CO[P]
    (O)(O)=O)c(CN[CH](CCCCN)C(O)=O)c1O    		 N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-LYSINE;
    PYRIDOXYL-GLUTAMIC ACID-5'-MONOPHOSPHATE
    32159
    PE2
    CHEMBL1540
    DB00299
    ZINC000000001899    		 2 C10 H15 N5 O3 InChI=1S/C10H15N5O3/c11-1
    0-13-8-7(9(18)14-10)12-5-
    15(8)2-1-6(3-16)4-17/h5-6
    ,16-17H,1-4H2,(H3,11,13,1
    4,18);
    JNTOCHDNEULJHD-UHFFFAOYSA-N    		 O=C1c2ncn(c2N=C(N1)N)CCC(CO)CO; c1nc2c(n
    1CCC(CO)CO)N=C(NC2=O)N; NC1=Nc2n(CCC(CO)
    CO)cnc2C(=O)N1    		 9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE
    32160
    PE3
    ZINC000058633580    		 4 C28 H58 O15 InChI=1S/C28H58O15/c29-1-
    3-31-5-7-33-9-11-35-13-15
    -37-17-19-39-21-23-41-25-
    27-43-28-26-42-24-22-40-2
    0-18-38-16-14-36-12-10-34
    -8-6-32-4-2-30/h29-30H,1-
    28H2;
    ILLKMACMBHTSHP-UHFFFAOYSA-N    		 OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
    CCO; C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
    COCCOCCO)O; O(CCOCCOCCOCCOCCOCCOCCO)CCOC
    COCCOCCOCCOCCOCCO    		 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL;
    POLYETHYLENE GLYCOL
    32161
    PE4    		 0 C16 H34 O8 InChI=1S/C16H34O8/c1-2-18
    -5-6-20-9-10-22-13-14-24-
    16-15-23-12-11-21-8-7-19-
    4-3-17/h17H,2-16H2,1H3;
    PJWQOENWHPEPKI-UHFFFAOYSA-N    		 O(CCOCCO)CCOCCOCCOCCOCCOCC; CCOCCOCCOCCO
    CCOCCOCCOCCO    		 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL;
    POLYETHYLENE GLYCOL PEG4000
    32162
    PE5
    DB03556
    ZINC000012503749    		 0 C18 H38 O9 InChI=1S/C18H38O9/c1-2-20
    -5-6-22-9-10-24-13-14-26-
    17-18-27-16-15-25-12-11-2
    3-8-7-21-4-3-19/h19H,2-18
    H2,1H3;
    CUDPPTPIUWYGFI-UHFFFAOYSA-N    		 O(CCOCCOCC)CCOCCOCCOCCOCCOCCO; CCOCCOCCO
    CCOCCOCCOCCOCCOCCO    		 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL;
    2-(2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL;
    POLYETHYLENE GLYCOL PEG400
    32163
    PE6
    ZINC000005828801    		 1 C12 H27 O10 P InChI=1S/C12H27O10P/c13-1
    -2-17-3-4-18-5-6-19-7-8-2
    0-9-10-21-11-12-22-23(14,
    15)16/h13H,1-12H2,(H2,14,
    15,16);
    PTMCGHPIYOSATH-UHFFFAOYSA-N    		 OCCOCCOCCOCCOCCOCCO[P](O)(O)=O; O=P(O)(O
    )OCCOCCOCCOCCOCCOCCO; C(COCCOCCOCCOCCOCC
    OP(=O)(O)O)O    		 PHOSPHORYL-HEXAETHYLENE GLYCOL
    32164
    PE7
    DB02404
    ZINC000005828797    		 8 C14 H30 O7 S InChI=1S/C14H30O7S/c15-1-
    2-16-3-4-17-5-6-18-7-8-19
    -9-10-20-11-12-21-13-14-2
    2/h15,22H,1-14H2;
    ACMBXVJDKVNCGH-UHFFFAOYSA-N    		 O(CCOCCOCCOCCOCCO)CCOCCS; C(COCCOCCOCCOC
    COCCOCCS)O; OCCOCCOCCOCCOCCOCCOCCS    		 1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL
    32165
    PE8
    ZINC000005178830    		 0 C16 H34 O9 InChI=1S/C16H34O9/c17-1-3
    -19-5-7-21-9-11-23-13-15-
    25-16-14-24-12-10-22-8-6-
    20-4-2-18/h17-18H,1-16H2;
    GLZWNFNQMJAZGY-UHFFFAOYSA-N    		 O(CCOCCO)CCOCCOCCOCCOCCOCCO; OCCOCCOCCOC
    COCCOCCOCCOCCO; C(COCCOCCOCCOCCOCCOCCOCC
    O)O    		 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL
    32166
    PE9
    CHEMBL14568
    ZINC000001687154    		 2 C5 H12 O InChI=1S/C5H12O/c1-2-3-4-
    5-6/h6H,2-5H2,1H3;
    AMQJEAYHLZJPGS-UHFFFAOYSA-N    		 OCCCCC; CCCCCO PENTAN-1-OL
    32167
    PEA    		 16 C8 H12 N InChI=1S/C8H11N/c9-7-6-8-
    4-2-1-3-5-8/h1-5H,6-7,9H2
    /p+1;
    BHHGXPLMPWCGHP-UHFFFAOYSA-O    		 [NH3+]CCc1ccccc1; c1ccccc1CC[NH3+]; c1cc
    c(cc1)CC[NH3+]    		 2-PHENYLETHYLAMINE
    32168
    PEB
    ZINC000058633585    		 16739 C33 H40 N4 O6 InChI=1S/C33H40N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h8,14-15,19-20,26,34H,
    2,7,9-13H2,1,3-6H3,(H,36,
    43)(H,37,42)(H,38,39)(H,4
    0,41)/b27-14-,29-15-/t19-
    ,20-,26-/m1/s1;
    NKCBCVIFPXGHAV-WAVSMFBNSA-N    		 CCC1C(C(=O)NC1=CC2=NC(=Cc3c(c(c([nH]3)CC
    4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)C(=C2C)CC
    C(=O)O)C; CC[C@@H]\1[C@H](C(=O)N/C1=C\C2
    =N/C(=C\c3c(c(c([nH]3)C[C@@H]4C(=C(C(=O)
    N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C;
    CC[C@@H]1[C@@H](C)C(=O)N\C1=C/C2=N\C(=C/
    c3[nH]c(C[C@H]4NC(=O)C(=C4C)C=C)c(C)c3CC
    C(O)=O)C(=C2C)CCC(O)=O; CC[CH]1[CH](C)C(
    =O)NC1=CC2=NC(=Cc3[nH]c(C[CH]4NC(=O)C(=C
    4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O    		 PHYCOERYTHROBILIN
    32169
    PEC
    ZINC000006592190    		 0 C8 H17 N O2 S2 InChI=1S/C8H17NO2S2/c1-2-
    3-4-5-12-13-6-7(9)8(10)11
    /h7H,2-6,9H2,1H3,(H,10,11
    )/t7-/m0/s1;
    QFYJSCJLKKAFDH-ZETCQYMHSA-N    		 CCCCCSSC[C@@H](C(=O)O)N; CCCCCSSC[CH](N)
    C(O)=O; CCCCCSSCC(C(=O)O)N; O=C(O)C(N)CS
    SCCCCC; CCCCCSSC[C@H](N)C(O)=O    		 S,S-PENTYLTHIOCYSTEINE
    32170
    PED
    ZINC000015614168    		 2 C5 H13 O6 P InChI=1S/C5H13O6P/c1-2-4(
    6)5(7)3-11-12(8,9)10/h4-7
    H,2-3H2,1H3,(H2,8,9,10)/t
    4-,5+/m0/s1;
    FQKLTSRHTQGSQZ-CRCLSJGQSA-N    		 CC[C@H](O)[C@H](O)CO[P](O)(O)=O; CCC(C(C
    OP(=O)(O)O)O)O; O=P(O)(O)OCC(O)C(O)CC; C
    C[C@@H]([C@@H](COP(=O)(O)O)O)O; CC[CH](O
    )[CH](O)CO[P](O)(O)=O    		 PENTANE-3,4-DIOL-5-PHOSPHATE;
    OPEN FORM OF 1'-2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE
    32171
    PEE
    ZINC000085581568    		 0 C41 H78 N O8 P InChI=1S/C41H78NO8P/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-31-33-40(43)47
    -37-39(38-49-51(45,46)48-
    36-35-42)50-41(44)34-32-3
    0-28-26-24-22-20-18-16-14
    -12-10-8-6-4-2/h17-20,39H
    ,3-16,21-38,42H2,1-2H3,(H
    ,45,46)/b19-17-,20-18-/t3
    9-/m1/s1;
    MWRBNPKJOOWZPW-NYVOMTAGSA-N    		 CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC
    N)OC(=O)CCCCCCCC=CCCCCCCCC; CCCCCCCCC=CC
    CCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O
    )CCCCCCCC=CCCCCCCCC; CCCCCCCC/C=C\CCCCCC
    CC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCC
    CC/C=C\CCCCCCCC; CCCCCCCC\C=C/CCCCCCCC(=
    O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC
    \C=C/CCCCCCCC; NCCOP(O)(=O)OCC(COC(=O)CC
    CCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCC
    CCCCC    		 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine;
    DOPE
    32172
    PEF
    DB01728
    ZINC000032793824    		 0 C37 H74 N O8 P InChI=1S/C37H74NO8P/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-36(39)43-33-35
    (34-45-47(41,42)44-32-31-
    38)46-37(40)30-28-26-24-2
    2-20-18-16-14-12-10-8-6-4
    -2/h35H,3-34,38H2,1-2H3,(
    H,41,42)/t35-/m1/s1;
    SLKDGVPOSSLUAI-PGUFJCEWSA-N    		 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O
    C(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=
    O)OC[C@H](CO[P@](O)(=O)OCCN)OC(=O)CCCCCC
    CCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC[C@H](C
    O[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC;
    O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O
    CCN)O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(
    =O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC
    CCCCCCCC    		 DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE;
    3-[AMINOETHYLPHOSPHORYL]-[1,2-DI-PALMITOYL]-SN-GLYCEROL
    32173
    PEG
    CHEMBL1235226
    ZINC000001668756    		 0 C4 H10 O3 InChI=1S/C4H10O3/c5-1-3-7
    -4-2-6/h5-6H,1-4H2;
    MTHSVFCYNBDYFN-UHFFFAOYSA-N    		 C(COCCO)O; OCCOCCO DI(HYDROXYETHYL)ETHER
    32174
    PEH    		 0 C41 H82 N O8 P InChI=1S/C41H82NO8P/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-31-33-40(43)47
    -37-39(38-49-51(45,46)48-
    36-35-42)50-41(44)34-32-3
    0-28-26-24-22-20-18-16-14
    -12-10-8-6-4-2/h39H,3-38,
    42H2,1-2H3,(H,45,46)/t39-
    /m1/s1;
    LVNGJLRDBYCPGB-LDLOPFEMSA-N    		 CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O
    )OCCN)OC(=O)CCCCCCCCCCCCCCCCC; CCCCCCCCC
    CCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)
    OC(=O)CCCCCCCCCCCCCCCCC; O=C(OCC(OC(=O)C
    CCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCC
    CCCCCCCCC; CCCCCCCCCCCCCCCCCC(=O)OCC(COP
    (=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC; CCC
    CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)
    OCCN)OC(=O)CCCCCCCCCCCCCCCCC    		 DI-STEAROYL-3-SN-PHOSPHATIDYLETHANOLAMINE
    32175
    PEI    		 0 C5 H10 O2 InChI=1/C5H10O2/c1-2-3-4-
    5(6)7/h2-4H2,1H3,(H,6,7)/
    f/h6H;
    NQPDZGIKBAWPEJ-BRMMOCHJCG    		 O=C(O)CCCC; CCCCC(=O)O; CCCCC(O)=O PENTANOIC ACID;
    N-VALERIC ACID
    32176
    PEJ    		 1 I O4 InChI=1S/HIO4/c2-1(3,4)5/
    h(H,2,3,4,5)/p-1;
    KHIWWQKSHDUIBK-UHFFFAOYSA-M    		 [O-]I(=O)(=O)=O; [O-][I](=O)(=O)=O PERIODATE
    32177
    PEK
    ZINC000085581337    		 25 C43 H78 N O8 P InChI=1S/C43H78NO8P/c1-3-
    5-7-9-11-13-15-17-19-20-2
    2-24-26-28-30-32-34-36-43
    (46)52-41(40-51-53(47,48)
    50-38-37-44)39-49-42(45)3
    5-33-31-29-27-25-23-21-18
    -16-14-12-10-8-6-4-2/h11,
    13,17,19,22,24,28,30,41H,
    3-10,12,14-16,18,20-21,23
    ,25-27,29,31-40,44H2,1-2H
    3,(H,47,48)/b13-11-,19-17
    -,24-22-,30-28-/t41-/m1/s
    1;
    ANRKEHNWXKCXDB-BHFWLYLHSA-N    		 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)
    (O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/
    CCCCC; CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P
    ](O)(=O)OCCN)OC(=O)CCCC=CCC=CCC=CCC=CCCC
    CC; O=C(OCC(OC(=O)CCC\C=C/C\C=C/C\C=C/C\
    C=C/CCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC
    CC; CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@
    ](O)(=O)OCCN)OC(=O)CCC\C=C/C/C=C\C\C=C/C
    /C=C\CCCCC; CCCCCCCCCCCCCCCCCC(=O)OCC(CO
    P(=O)(O)OCCN)OC(=O)CCCC=CCC=CCC=CCC=CCCC
    CC    		 (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE;
    PHOSPHATIDYLETHANOLAMINE;
    2-ARACHIDONOYL-1-STEAROYL-SN-GLYCEROL-3-PHOSPHOETHANOLAMINE
    32178
    PEL
    CHEMBL448500
    DB02192
    ZINC000000895934    		 15 C8 H10 O InChI=1S/C8H10O/c9-7-6-8-
    4-2-1-3-5-8/h1-5,9H,6-7H2;
    WRMNZCZEMHIOCP-UHFFFAOYSA-N    		 c1ccc(cc1)CCO; OCCc1ccccc1 2-PHENYL-ETHANOL
    32179
    PEM
    CHEMBL264374
    DB01393
    ZINC000003956919    		 6 C19 H20 Cl N O4 InChI=1S/C19H20ClNO4/c1-1
    9(2,18(23)24)25-16-9-3-13
    (4-10-16)11-12-21-17(22)1
    4-5-7-15(20)8-6-14/h3-10H
    ,11-12H2,1-2H3,(H,21,22)(
    H,23,24);
    IIBYAHWJQTYFKB-UHFFFAOYSA-N    		 CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(
    O)=O; CC(C)(C(=O)O)Oc1ccc(cc1)CCNC(=O)c2
    ccc(cc2)Cl; O=C(c1ccc(Cl)cc1)NCCc2ccc(OC
    (C(=O)O)(C)C)cc2    		 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID
    32180
    PEO
    CHEMBL71595
    DB11091    		 57 H2 O2 InChI=1S/H2O2/c1-2/h1-2H;
    MHAJPDPJQMAIIY-UHFFFAOYSA-N    		 OO HYDROGEN PEROXIDE
    32181
    PEP
    CHEMBL1235228
    DB01819
    ZINC000003870145    		 305 C3 H5 O6 P InChI=1S/C3H5O6P/c1-2(3(4
    )5)9-10(6,7)8/h1H2,(H,4,5
    )(H2,6,7,8);
    DTBNBXWJWCWCIK-UHFFFAOYSA-N    		 C=C(C(=O)O)OP(=O)(O)O; OC(=O)C(=C)O[P](O
    )(O)=O; O=C(O)C(\OP(=O)(O)O)=C    		 PHOSPHOENOLPYRUVATE
    32182
    PEQ
    CHEMBL1235229
    ZINC000006486927    		 14 C3 H7 O6 P InChI=1S/C3H7O6P/c1-2(3(4
    )5)9-10(6,7)8/h2H,1H3,(H,
    4,5)(H2,6,7,8)/t2-/m0/s1;
    CSZRNWHGZPKNKY-REOHCLBHSA-N    		 C[C@H](O[P](O)(O)=O)C(O)=O; C[CH](O[P](O
    )(O)=O)C(O)=O; O=C(O)C(OP(=O)(O)O)C; CC(
    C(=O)O)OP(=O)(O)O; C[C@@H](C(=O)O)OP(=O)
    (O)O    		 L-PHOSPHOLACTATE
    32183
    PER    		 29 O2 InChI=1S/O2/c1-2/q-2;
    ANAIPYUSIMHBEL-UHFFFAOYSA-N    		 [O-][O-] PEROXIDE ION
    32184
    PET
    CHEMBL1088659
    ZINC000003606350    		 0 C18 H22 N4 O3 InChI=1S/C18H22N4O3/c19-1
    7(20)13-1-5-15(6-2-13)24-
    11-9-23-10-12-25-16-7-3-1
    4(4-8-16)18(21)22/h1-8H,9
    -12H2,(H3,19,20)(H3,21,22
    );
    RUGJWTYDBUIXNX-UHFFFAOYSA-N    		 O(c1ccc(cc1)C(=[N@H])N)CCOCCOc2ccc(C(=[N
    @H])N)cc2; NC(=N)c1ccc(OCCOCCOc2ccc(cc2)
    C(N)=N)cc1; [H]N=C(c1ccc(cc1)OCCOCCOc2cc
    c(cc2)C(=N)N)N; [H]/N=C(\c1ccc(cc1)OCCOC
    COc2ccc(cc2)C(=N)N)/N    		 1,5-DI(4-AMIDINOPHENOXY)-3-OXA-PENTANE
    32185
    PEU    		 0 C55 H112 O28 InChI=1S/C55H112O28/c1-57
    -4-5-59-8-9-61-12-13-63-1
    6-17-65-20-21-67-24-25-69
    -28-29-71-32-33-73-36-37-
    75-40-41-77-44-45-79-48-4
    9-81-52-53-83-55-54-82-51
    -50-80-47-46-78-43-42-76-
    39-38-74-35-34-72-31-30-7
    0-27-26-68-23-22-66-19-18
    -64-15-14-62-11-10-60-7-6
    -58-3-2-56/h56H,2-55H2,1H
    3;
    ISGUIIHZEJGUGQ-UHFFFAOYSA-N    		 COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC
    OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
    CCO; OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
    COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC
    OCCOCCOC    		 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL;
    PEG 8000
    32186
    PEV    		 2 C39 H78 N O8 P InChI=1S/C39H78NO8P/c1-3-
    5-7-9-11-13-15-17-18-20-2
    2-24-26-28-30-32-39(42)48
    -37(36-47-49(43,44)46-34-
    33-40)35-45-38(41)31-29-2
    7-25-23-21-19-16-14-12-10
    -8-6-4-2/h37H,3-36,40H2,1
    -2H3,(H,43,44)/t37-/m0/s1;
    RPJZYOHZALDGKI-QNGWXLTQSA-N    		 CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCC
    CCCCCCCCCCCC)CO[P@@](=O)(O)OCCN; CCCCCCC
    CCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCC
    CCC)CO[P](O)(=O)OCCN; O=C(OCC(OC(=O)CCCC
    CCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCC
    CCCC; CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC
    CCCCCCCCCCCCC)COP(=O)(O)OCCN; CCCCCCCCCC
    CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCC
    CC)CO[P@](O)(=O)OCCN    		 (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE;
    PHOSPHATIDYLETHANOLAMINE;
    1-PALMITOYL-2-OLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
    32187
    PEW
    ZINC000150345080    		 1 C39 H76 Br2 N O8 P InChI=1S/C39H76Br2NO8P/c1
    -3-5-7-9-11-12-13-14-15-1
    6-17-21-25-29-38(43)47-33
    -35(34-49-51(45,46)48-32-
    31-42)50-39(44)30-26-22-1
    8-20-24-28-37(41)36(40)27
    -23-19-10-8-6-4-2/h35-37H
    ,3-34,42H2,1-2H3,(H,45,46
    )/t35-,36+,37+/m1/s1;
    DQMAEWCVUIFGMB-BOALQFNTSA-N    		 BrC(CCCCCCCC)C(Br)CCCCCCCC(=O)OC(COP(=O)
    (OCCN)O)COC(=O)CCCCCCCCCCCCCCC; CCCCCCCC
    CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=
    O)CCCCCCC[CH](Br)[CH](Br)CCCCCCCC; CCCCC
    CCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OCCN
    )OC(=O)CCCCCCC[C@H](Br)[C@@H](Br)CCCCCCC
    C; CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=
    O)(O)OCCN)OC(=O)CCCCCCC[C@@H]([C@H](CCCC
    CCCC)Br)Br; CCCCCCCCCCCCCCCC(=O)OCC(COP(
    =O)(O)OCCN)OC(=O)CCCCCCCC(C(CCCCCCCC)Br)
    Br    		 (1R)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (9S,10S)-9,10-DIBROMOOCTADECANOATE;
    DIBROMINATED PHOSPHATIDYLETHANOLAMINE;
    1-PALMITOYL-2-STEAROYL(9,10-DIBROMO)-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
    32188
    PEX    		 0 C25 H49 N O8 P InChI=1S/C25H50NO8P/c1-3-
    5-7-9-11-13-15-17-24(27)3
    1-21-23(22-33-35(29,30)32
    -20-19-26)34-25(28)18-16-
    14-12-10-8-6-4-2/h23H,3-2
    2,26H2,1-2H3,(H,29,30)/p-
    1/t23-/m1/s1;
    KKOSJVWUOHEQKA-HSZRJFAPSA-M    		 CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCN)OC(=
    O)CCCCCCCCC; CCCCCCCCCC(=O)OC[CH](CO[P](
    [O-])(=O)OCCN)OC(=O)CCCCCCCCC; CCCCCCCCC
    C(=O)OC[C@H](CO[P@](=O)([O-])OCCN)OC(=O)
    CCCCCCCCC; O=C(OCC(OC(=O)CCCCCCCCC)COP([
    O-])(=O)OCCN)CCCCCCCCC; CCCCCCCCCC(=O)OC
    [C@H](CO[P]([O-])(=O)OCCN)OC(=O)CCCCCCCC
    C    		 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
    32189
    PEY
    CHEMBL46730
    ZINC000000967819    		 2 C14 H10 InChI=1S/C14H10/c1-3-7-13
    -11(5-1)9-10-12-6-2-4-8-1
    4(12)13/h1-10H;
    YNPNZTXNASCQKK-UHFFFAOYSA-N    		 c1ccc2c(c1)ccc3ccccc23; c3cc2ccc1ccccc1c
    2cc3; c1ccc2c(c1)ccc3c2cccc3    		 PHENANTHRENE
    32190
    PEZ
    DB03248
    ZINC000012503329    		 2 C4 H9 O6 P InChI=1S/C4H9O6P/c1-2-3(4
    (5)6)10-11(7,8)9/h3H,2H2,
    1H3,(H,5,6)(H2,7,8,9)/t3-
    /m1/s1;
    OETAGSCBSKODFW-GSVOUGTGSA-N    		 O=P(O)(O)OC(C(=O)O)CC; CC[C@@H](O[P](O)(
    O)=O)C(O)=O; CC[CH](O[P](O)(O)=O)C(O)=O;
    CCC(C(=O)O)OP(=O)(O)O    		 2-(PHOSPHONOOXY)BUTANOIC ACID
    32191
    PF    		 0 C13 H12 N3 InChI=1/C13H11N3/c14-10-3
    -1-8-5-9-2-4-11(15)7-13(9
    )16-12(8)6-10/h1-7H,14-15
    H2/p+1/fC13H12N3/h16H/q+1;
    WDVSHHCDHLJJJR-LJXQPQFLCS    		 c1cc(cc2c1cc3ccc(cc3[nH+]2)N)N; Nc1ccc2c
    c3ccc(N)cc3[nH+]c2c1; c3(ccc2cc1ccc(N)cc
    1[nH+]c2c3)N    		 PROFLAVINE
    32192
    PF0
    ZINC000001698894    		 1 C8 H8 O3 InChI=1S/C8H8O3/c1-5-6(8(
    10)11)3-2-4-7(5)9/h2-4,9H
    ,1H3,(H,10,11);
    RIERSGULWXEJKL-UHFFFAOYSA-N    		 Cc1c(cccc1O)C(=O)O; O=C(O)c1cccc(O)c1C;
    Cc1c(O)cccc1C(O)=O    		 3-hydroxy-2-methylbenzoic acid
    32193
    PF1
    ZINC000016052433    		 2 C9 H14 N4 O2 InChI=1S/C9H14N4O2/c1-7-1
    1-4-8(9(10)12-7)5-13(6-15
    )2-3-14/h4,6,14H,2-3,5H2,
    1H3,(H2,10,11,12);
    PXEGMHGZZOOILN-UHFFFAOYSA-N    		 O=CN(Cc1cnc(nc1N)C)CCO; Cc1ncc(c(n1)N)CN
    (CCO)C=O; Cc1ncc(CN(CCO)C=O)c(N)n1    		 N-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-N-(2-HYDROXYETHYL)FORMAMIDE
    32194
    PF2
    CHEMBL515387
    DB08382
    ZINC000023247686    		 2 C17 H24 F2 N6 O InChI=1S/C17H24F2N6O/c18-
    17(19)2-5-25(12-17)15(26)
    14-10-13(11-22-14)23-6-8-
    24(9-7-23)16-20-3-1-4-21-
    16/h1,3-4,13-14,22H,2,5-1
    2H2/t13-,14-/m0/s1;
    QWEWGXUTRTXFRF-KBPBESRZSA-N    		 c1cnc(nc1)N2CCN(CC2)C3CC(NC3)C(=O)N4CCC(
    C4)(F)F; c1cnc(nc1)N2CCN(CC2)[C@H]3C[C@H
    ](NC3)C(=O)N4CCC(C4)(F)F; FC4(F)CCN(C(=O
    )C3NCC(N2CCN(c1ncccn1)CC2)C3)C4; FC1(F)C
    CN(C1)C(=O)[CH]2C[CH](CN2)N3CCN(CC3)c4nc
    ccn4; FC1(F)CCN(C1)C(=O)[C@@H]2C[C@@H](C
    N2)N3CCN(CC3)c4ncccn4    		 2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine
    32195
    PF3
    CHEMBL508461
    DB03367
    ZINC000006744035    		 4 C25 H20 N2 O3 S InChI=1S/C25H20N2O3S/c28-
    24(29)15-22(20-4-2-1-3-5-
    20)27-25(30)23-14-21(16-3
    1-23)18-8-6-17(7-9-18)19-
    10-12-26-13-11-19/h1-14,1
    6,22H,15H2,(H,27,30)(H,28
    ,29)/t22-/m1/s1;
    VMTJQZUZINLEKC-JOCHJYFZSA-N    		 c1ccc(cc1)C(CC(=O)O)NC(=O)c2cc(cs2)c3ccc
    (cc3)c4ccncc4; OC(=O)C[C@@H](NC(=O)c1scc
    (c1)c2ccc(cc2)c3ccncc3)c4ccccc4; c1ccc(c
    c1)[C@@H](CC(=O)O)NC(=O)c2cc(cs2)c3ccc(c
    c3)c4ccncc4; O=C(O)CC(c1ccccc1)NC(=O)c4s
    cc(c3ccc(c2ccncc2)cc3)c4; OC(=O)C[CH](NC
    (=O)c1scc(c1)c2ccc(cc2)c3ccncc3)c4ccccc4    		 (2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID;
    PF-00356231;
    3-PHENYL-3-({[4-(4-PYRIDIN-4-YLPHENYL)THIEN-2-YL]CARBONYL}AMINO)PROPANOIC ACID
    32196
    PF4
    CHEMBL1235237
    DB08383
    ZINC000000860663    		 1 C21 H18 N2 O2 S InChI=1S/C21H18N2O2S/c1-2
    4-16-9-5-14(6-10-16)19-20
    (15-7-11-17(25-2)12-8-15)
    23-21(22-19)18-4-3-13-26-
    18/h3-13H,1-2H3,(H,22,23);
    XBMULXNXJLWLLD-UHFFFAOYSA-N    		 n2c(c(c1ccc(OC)cc1)nc2c3sccc3)c4ccc(OC)c
    c4; COc1ccc(cc1)c2[nH]c(nc2c3ccc(OC)cc3)
    c4sccc4; COc1ccc(cc1)c2c(nc([nH]2)c3cccs
    3)c4ccc(cc4)OC    		 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
    32197
    PF5
    ZINC000002515995    		 0 C9 H6 F5 N O2 InChI=1S/C9H6F5NO2/c10-4-
    2(1-3(15)9(16)17)5(11)7(1
    3)8(14)6(4)12/h3H,1,15H2,
    (H,16,17)/t3-/m0/s1;
    YYTDJPUFAVPHQA-VKHMYHEASA-N    		 N[CH](Cc1c(F)c(F)c(F)c(F)c1F)C(O)=O; C(c
    1c(c(c(c(c1F)F)F)F)F)C(C(=O)O)N; C(c1c(c
    (c(c(c1F)F)F)F)F)[C@@H](C(=O)O)N; N[C@@H
    ](Cc1c(F)c(F)c(F)c(F)c1F)C(O)=O; Fc1c(c(
    F)c(F)c(F)c1F)CC(C(=O)O)N    		 2,3,4,5,6-PENTAFLUORO-L-PHENYLALANINE;
    FLUORINATED PHENYLALANINE
    32198
    PF6
    CHEMBL562317
    DB08384
    ZINC000043071709    		 1 C25 H20 N4 O InChI=1S/C25H20N4O/c1-2-4
    -24-19(3-1)5-8-22(28-24)1
    7-30-23-9-6-20(7-10-23)25
    -21(16-27-29-25)15-18-11-
    13-26-14-12-18/h1-14,16H,
    15,17H2,(H,27,29);
    RQDDHVVAAJVVKM-UHFFFAOYSA-N    		 c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c4c(c[nH]n
    4)Cc5ccncc5; n1c5c(ccc1COc4ccc(c2nncc2Cc
    3ccncc3)cc4)cccc5; C(Oc1ccc(cc1)c2n[nH]c
    c2Cc3ccncc3)c4ccc5ccccc5n4    		 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
    32199
    PF7
    DB08385
    ZINC000038995984    		 2 C16 H18 N2 O2 InChI=1S/C16H18N2O2/c19-1
    6(20)18-7-5-12(6-8-18)9-1
    3-10-14-3-1-2-4-15(14)17-
    11-13/h1-4,10-12H,5-9H2,(
    H,19,20);
    QUAGUFNCKDDJFZ-UHFFFAOYSA-N    		 OC(=O)N1CCC(CC1)Cc2cnc3ccccc3c2; O=C(O)N
    3CCC(Cc1cc2ccccc2nc1)CC3; c1ccc2c(c1)cc(
    cn2)CC3CCN(CC3)C(=O)O    		 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
    32200
    PF8
    CHEMBL560377
    DB08386
    ZINC000035931586    		 1 C24 H18 N4 O InChI=1S/C24H18N4O/c1-2-4
    -23-18(3-1)5-8-20(27-23)1
    6-29-21-9-6-19(7-10-21)24
    -22(15-26-28-24)17-11-13-
    25-14-12-17/h1-15H,16H2,(
    H,26,28);
    VRWJZGHUCOFGPZ-UHFFFAOYSA-N    		 n5ccc(c1c(nnc1)c4ccc(OCc2nc3c(cc2)cccc3)
    cc4)cc5; c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c
    4c(c[nH]n4)c5ccncc5; C(Oc1ccc(cc1)c2n[nH
    ]cc2c3ccncc3)c4ccc5ccccc5n4    		 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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