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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
    32801
    P7Q    		 2 C20 H16 O6 InChI=1S/C20H16O6/c1-20(2
    5)7-9-6-11(21)16-17(14(9)
    12(22)8-20)18(23)10-4-3-5
    -13(26-2)15(10)19(16)24/h
    3-6,21,25H,7-8H2,1-2H3/t2
    0-/m1/s1;
    LQIPGPPZCXJWKY-HXUWFJFHSA-N    		 COc1cccc2C(=O)c3c4C(=O)C[C](C)(O)Cc4cc(O
    )c3C(=O)c12; CC1(Cc2cc(c3c(c2C(=O)C1)C(=
    O)c4cccc(c4C3=O)OC)O)O; C[C@]1(Cc2cc(c3c
    (c2C(=O)C1)C(=O)c4cccc(c4C3=O)OC)O)O; CO
    c1cccc2C(=O)c3c4C(=O)C[C@](C)(O)Cc4cc(O)
    c3C(=O)c12    		 (3~{R})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
    32802
    P7R    		 3 C17 H15 Cl N4 O3 InChI=1S/C17H15ClN4O3/c1-
    22-15-12(7-19-8-13(15)21-
    17(22)24)20-16(23)10-4-5-
    25-14-3-2-9(18)6-11(10)14
    /h2-3,6-8,10H,4-5H2,1H3,(
    H,20,23)(H,21,24)/t10-/m1
    /s1;
    YNHUBGVMTXFOMC-SNVBAGLBSA-N    		 CN1C(=O)Nc2cncc(NC(=O)[CH]3CCOc4ccc(Cl)c
    c34)c12; CN1c2c(cncc2NC(=O)C3CCOc4c3cc(c
    c4)Cl)NC1=O; CN1C(=O)Nc2cncc(NC(=O)[C@@H
    ]3CCOc4ccc(Cl)cc34)c12; CN1c2c(NC1=O)cnc
    c2NC(=O)C1CCOc2ccc(Cl)cc21; CN1c2c(cncc2
    NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl)NC1=O    		 (4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    32803
    P7S
    CHEMBL4802237    		 2 C22 H29 Cl N4 O6 InChI=1S/C22H29ClN4O6/c1-
    22(2,3)18(26-19(31)12-6-7
    -15(24)14(23)9-12)21(33)2
    7-8-4-5-16(27)20(32)25-13
    (11-28)10-17(29)30/h6-7,9
    ,11,13,16,18H,4-5,8,10,24
    H2,1-3H3,(H,25,32)(H,26,3
    1)(H,29,30)/t13-,16-,18+/
    m0/s1;
    SOZONDBMOYWSRW-QANKJYHBSA-N    		 CC(C)(C)[CH](NC(=O)c1ccc(N)c(Cl)c1)C(=O)
    N2CCC[CH]2C(=O)N[CH](CC(O)=O)C=O; CC(C)(
    C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=
    O)c2ccc(c(c2)Cl)N; CC(C)(C)[C@H](NC(=O)c
    1ccc(N)c(Cl)c1)C(=O)N2CCC[C@H]2C(=O)N[C@
    @H](CC(O)=O)C=O; CC(C)(C)[C@@H](C(=O)N1C
    CC[C@H]1C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)c
    2ccc(c(c2)Cl)N; C2CN(C(C(C(C)(C)C)NC(c1c
    cc(c(c1)Cl)N)=O)=O)C(C(NC(CC(=O)O)C=O)=O
    )C2    		 N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide
    32804
    P7T    		 1 C13 H17 N O4 S InChI=1S/C13H17NO4S/c1-10
    -7-14(8-11(2)18-10)19(16,
    17)13-5-3-12(9-15)4-6-13/
    h3-6,9-11H,7-8H2,1-2H3/t1
    0-,11+;
    GZGHFFPTXVUCPP-PHIMTYICSA-N    		 C[CH]1CN(C[CH](C)O1)[S](=O)(=O)c2ccc(C=O
    )cc2; C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)c
    2ccc(cc2)C=O; CC1CN(CC(O1)C)S(=O)(=O)c2c
    cc(cc2)C=O; C[C@H]1CN(C[C@@H](C)O1)[S](=
    O)(=O)c2ccc(C=O)cc2    		 4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde
    32805
    P7U    		 2 C35 H37 Cl F N7 O5 InChI=1S/C35H37ClFN7O5/c1
    -21(45)35(47,48)32(46)44-
    17-16-42(19-23(44)10-13-3
    8)31-25-18-39-29(24-8-2-6
    -22-7-3-9-26(36)27(22)24)
    28(37)30(25)40-33(41-31)4
    9-20-34-11-4-14-43(34)15-
    5-12-34/h2-3,6-9,18,21,23
    ,45,47-48H,4-5,10-12,14-1
    7,19-20H2,1H3/t21-,23-/m0
    /s1;
    ODVFPOIDMRCQHU-GMAHTHKFSA-N    		 CC(O)C(O)(O)C(=O)N1CCN(CC1CC#N)c1nc(nc2c
    (F)c(ncc21)c1cccc2cccc(Cl)c21)OCC12CCCN2
    CCC1; C[CH](O)C(O)(O)C(=O)N1CCN(C[CH]1CC
    #N)c2nc(OCC34CCCN3CCC4)nc5c(F)c(ncc25)c6
    cccc7cccc(Cl)c67; C[C@@H](C(C(=O)N1CCN(C
    [C@@H]1CC#N)c2c3cnc(c(c3nc(n2)OCC45CCCN4
    CCC5)F)c6cccc7c6c(ccc7)Cl)(O)O)O; C[C@H]
    (O)C(O)(O)C(=O)N1CCN(C[C@@H]1CC#N)c2nc(O
    CC34CCCN3CCC4)nc5c(F)c(ncc25)c6cccc7cccc
    (Cl)c67; CC(C(C(=O)N1CCN(CC1CC#N)c2c3cnc
    (c(c3nc(n2)OCC45CCCN4CCC5)F)c6cccc7c6c(c
    cc7)Cl)(O)O)O    		 {(2S)-4-[(7P)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4R,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-[(3S)-2,2,3-trihydroxybutanoyl]piperazin-2-yl}acetonitrile
    32806
    P7V
    CHEMBL3770095
    ZINC000653701701    		 2 C10 H7 Br N2 O3 InChI=1S/C10H7BrN2O3/c11-
    7-3-1-6(2-4-7)10-12-8(5-1
    6-10)9(14)13-15/h1-5,15H,
    (H,13,14);
    KHPRTOQUGAUDCM-UHFFFAOYSA-N    		 ONC(=O)c1coc(n1)c2ccc(Br)cc2; C(c2coc(c1
    ccc(Br)cc1)n2)(NO)=O; c1cc(ccc1c2nc(co2)
    C(=O)NO)Br    		 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide
    32807
    P7W
    ZINC000001690029    		 2 C8 H12 O6 InChI=1S/C8H12O6/c9-6(10)
    3-1-5(8(13)14)2-4-7(11)12
    /h5H,1-4H2,(H,9,10)(H,11,
    12)(H,13,14);
    ROTJZTYLACIJIG-UHFFFAOYSA-N    		 C(CC(=O)O)C(CCC(=O)O)C(=O)O; OC(=O)CCC(C
    CC(O)=O)C(O)=O    		 pentane-1,3,5-tricarboxylic acid
    32808
    P7Y
    CHEMBL231045
    ZINC000001688684    		 1 C8 H7 N O3 InChI=1S/C8H7NO3/c10-8-4-
    2-1-3-7(8)5-6-9(11)12/h1-
    6,10H/b6-5+;
    PMDYAIGGZBRBFX-AATRIKPKSA-N    		 Oc1ccccc1C=C[N+]([O-])=O; Oc1ccccc1\C=C\
    [N+]([O-])=O; [O-][N+](=O)/C=C/c1ccccc1O
    ; c1ccc(c(c1)/C=C/[N+](=O)[O-])O; c1ccc(
    c(c1)C=C[N+](=O)[O-])O    		 2-[(E)-2-nitroethenyl]phenol;
    (E)-1-(2'-hydroxyphenyl)-2-nitroethene
    32809
    P7Z    		 1 C8 H16 B10 N2 O4 S2 InChI=1S/C8H16B10N2O4S2/c
    19-25(21,22)5-1-3-7-8(4-2
    -6-26(20,23)24)9(7)11(7)1
    2(7)10(7,8)14(8)13(8,9)15
    (9,11)17(11,12)16(10,12,1
    4)18(13,14,15)17/h1-6H2,(
    H2,19,21,22)(H2,20,23,24);
    MVCYXZQFBQXOJM-UHFFFAOYSA-N    		 B1234B567B189B212B33%10B454B656B787B911C
    232(B4%105C7612CCCS(=O)(=O)N)CCCS(=O)(=O
    )N; N[S](=O)(=O)CCC[C]1234[B]567[B]89%10
    [B]%11%12%13[B]58%14[B]%11%15%16[B]%12%1
    7%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%
    18(CCC[S](N)(=O)=O)[B]47%14%16    		 Ortho-Carborane di-propyl-sulfonamide
    32810
    P80
    CHEMBL1615164
    ZINC000002244055    		 2 C8 H7 N O3 InChI=1S/C8H7NO3/c10-8-3-
    1-2-7(6-8)4-5-9(11)12/h1-
    6,10H/b5-4+;
    DHTXBJQMDPODIB-SNAWJCMRSA-N    		 Oc1cccc(C=C[N+]([O-])=O)c1; c1cc(cc(c1)O
    )C=C[N+](=O)[O-]; [O-][N+](=O)/C=C/c1cc(
    O)ccc1; c1cc(cc(c1)O)/C=C/[N+](=O)[O-];
    Oc1cccc(/C=C/[N+]([O-])=O)c1    		 3-[(E)-2-nitroethenyl]phenol;
    (E)-1-(3'-hydroxyphenyl)-2-nitroethene
    32811
    P81
    CHEMBL307481
    ZINC000000039663    		 1 C8 H7 N O3 InChI=1S/C8H7NO3/c10-8-3-
    1-7(2-4-8)5-6-9(11)12/h1-
    6,10H/b6-5+;
    CTJKRKMPTRJAIT-AATRIKPKSA-N    		 c1cc(ccc1/C=C/[N+](=O)[O-])O; Oc1ccc(cc1
    )C=C[N+]([O-])=O; Oc1ccc(cc1)/C=C/[N+]([
    O-])=O; [O-][N+](=O)/C=C/c1ccc(O)cc1; c1
    cc(ccc1C=C[N+](=O)[O-])O    		 4-[(E)-2-nitroethenyl]phenol;
    (E)-1-(4'-hydroxyphenyl)-2-nitroethene
    32812
    P82    		 1 C8 H16 B10 N2 O4 S2 InChI=1S/C8H16B10N2O4S2/c
    19-25(21,22)5-1-3-7-9-10(
    7)12(7)13(7)11(7,9)15(9)8
    (4-2-6-26(20,23)24)14(9,1
    0,15)16(8,10,12)18(8,12,1
    3)17(8,11,13)15/h1-6H2,(H
    2,19,21,22)(H2,20,23,24);
    HXGDSZGPWSRELQ-UHFFFAOYSA-N    		 B1234B567B189B212B88%10C955(B669B733C411
    (B363B218B9%1035)CCCS(=O)(=O)N)CCCS(=O)(
    =O)N; N[S](=O)(=O)CCC[C]1234[B]567[B]189
    [B]2%10%11[B]3%12%13[B]45%14[B]6%15%16[B
    ]78%17[B]9%10%18[B]%11%12%19[B]%13%14%15
    [C]%16%17%18%19CCC[S](N)(=O)=O    		 Para-Carborane di-propyl-sulfonamide
    32813
    P83
    CHEMBL1235116
    DB08363
    ZINC000003888893    		 1 C16 H18 N2 InChI=1S/C16H18N2/c1-3-18
    -15-7-5-4-6-13(15)14-10-1
    2(11-17-2)8-9-16(14)18/h4
    -10,17H,3,11H2,1-2H3;
    LBPNOEAFWYTTEB-UHFFFAOYSA-N    		 c1cccc3c1c2c(ccc(c2)CNC)n3CC; CCn1c2cccc
    c2c3cc(CNC)ccc13; CCn1c2ccccc2c3c1ccc(c3
    )CNC    		 1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
    32814
    P84
    CHEMBL5183726
    ZINC000016662865    		 2 C14 H20 I2 N2 O InChI=1S/C14H20I2N2O/c1-1
    7-5-3-12(4-6-17)18(2)9-10
    -7-11(15)8-13(16)14(10)19
    /h7-8,12,19H,3-6,9H2,1-2H
    3;
    IAJFTEUXEMKNJL-UHFFFAOYSA-N    		 CN1CCC(CC1)N(C)Cc2cc(cc(c2O)I)I; Ic1cc(c
    (O)c(I)c1)CN(C)C2CCN(C)CC2; CN1CCC(CC1)N
    (C)Cc2cc(I)cc(I)c2O    		 2,4-BIS(IODANYL)-6-[[METHYL-(1-METHYLPIPERIDIN-4-YL)AMINO]METHYL]PHENOL
    32815
    P85
    CHEMBL3233814    		 4 C25 H27 F N2 O InChI=1S/C25H27FN2O/c1-18
    (23-8-4-6-20-5-2-3-7-24(2
    0)23)28-15-13-21(14-16-28
    )25(29)27-17-19-9-11-22(2
    6)12-10-19/h2-12,18,21H,1
    3-17H2,1H3,(H,27,29)/t18-
    /m1/s1;
    VTAUBQMDNJOEAK-GOSISDBHSA-N    		 CC(c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc
    (cc4)F; C[C@@H](N1CC[C@@H](CC1)C(=O)NCc2
    ccc(F)cc2)c3cccc4ccccc34; C[CH](N1CC[CH]
    (CC1)C(=O)NCc2ccc(F)cc2)c3cccc4ccccc34;
    C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc
    4ccc(cc4)F; Fc1ccc(cc1)CNC(=O)C4CCN(C(c3
    c2ccccc2ccc3)C)CC4    		 N-[(4-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
    32816
    P86
    ZINC000098209295    		 2 C16 H24 I2 N2 O InChI=1S/C16H24I2N2O/c1-3
    -20(4-2)14-5-7-19(8-6-14)
    11-12-9-13(17)10-15(18)16
    (12)21/h9-10,14,21H,3-8,1
    1H2,1-2H3;
    YZPXNEXVQURJCE-UHFFFAOYSA-N    		 CCN(CC)C1CCN(CC1)Cc2cc(I)cc(I)c2O; Ic1cc
    (c(O)c(I)c1)CN2CCC(N(CC)CC)CC2; CCN(CC)C
    1CCN(CC1)Cc2cc(cc(c2O)I)I    		 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4,6-DIIODOPHENOL
    32817
    P87    		 2 C11 H19 N O2 InChI=1S/C11H19NO2/c13-11
    (12-6-1-2-7-12)4-3-10-5-8
    -14-9-10/h10H,1-9H2/t10-/
    m0/s1;
    QMNDAUGCAGNHLO-JTQLQIEISA-N    		 C1CCN(C1)C(=O)CC[C@H]2CCOC2; O=C(CC[CH]1
    CCOC1)N2CCCC2; O=C(N1CCCC1)CCC2CCOC2; O=
    C(CC[C@H]1CCOC1)N2CCCC2; C1CCN(C1)C(=O)C
    CC2CCOC2    		 3-[(3S)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one
    32818
    P88
    ZINC000095921157    		 1 C31 H28 N2 O4 InChI=1S/C31H28N2O4/c1-18
    (2)30-26(29(33-37-30)28-1
    9(3)6-5-7-20(28)4)17-36-2
    5-12-10-21(11-13-25)22-8-
    9-23-15-27(31(34)35)32-16
    -24(23)14-22/h5-16,18H,17
    H2,1-4H3,(H,34,35);
    DWPOYLMUSLXOEM-UHFFFAOYSA-N    		 CC(C)c1onc(c1COc2ccc(cc2)c3ccc4cc(ncc4c3
    )C(O)=O)c5c(C)cccc5C; Cc1cccc(c1c2c(c(on
    2)C(C)C)COc3ccc(cc3)c4ccc5cc(ncc5c4)C(=O
    )O)C; O=C(O)c2ncc1cc(ccc1c2)c5ccc(OCc4c(
    onc4c3c(cccc3C)C)C(C)C)cc5    		 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid
    32819
    P89    		 4 C19 H31 N2 O6 P InChI=1S/C19H31N2O6P/c1-3
    -4-5-6-7-8-9-10-17(22)12-
    20-13-18-16(14-27-28(24,2
    5)26)11-21-15(2)19(18)23/
    h11,13,23H,3-10,12,14H2,1
    -2H3,(H2,24,25,26)/b20-13
    +;
    NFGPSQDCIMWBHR-DEDYPNTBSA-N    		 CCCCCCCCCC(=O)CN=Cc1c(cnc(c1O)C)COP(=O)(
    O)O; CCCCCCCCCC(=O)C/N=C/c1c(cnc(c1O)C)C
    OP(=O)(O)O; CCCCCCCCCC(=O)CN=Cc1c(O)c(C)
    ncc1CO[P](O)(O)=O    		 [6-methyl-5-oxidanyl-4-[(~{E})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate
    32820
    P8A
    CHEMBL428730
    ZINC000004386887    		 1 C8 H12 N2 O2 InChI=1S/C8H12N2O2/c1-2-3
    -4-6-5-7(8(11)12)10-9-6/h
    5H,2-4H2,1H3,(H,9,10)(H,1
    1,12);
    ZJTXSGLJNBAMJS-UHFFFAOYSA-N    		 CCCCc1cc(n[nH]1)C(=O)O; CCCCc1[nH]nc(c1)
    C(O)=O    		 5-butyl-1~{H}-pyrazole-3-carboxylic acid
    32821
    P8B    		 2 C5 H8 B10 N O2 S InChI=1S/C5H8B10NO2S/c16-
    19(17,18)3-1-2-5-11-6-4-7
    (6,11)9(4)10(4)8(4,6)12(5
    ,6,11)14(5,8,10)15(5,9,10
    )13(5,7,9)11/h1-3H2,(H2,1
    6,17,18);
    HBQBYDZBZCGZJU-UHFFFAOYSA-N    		 B1234B567B189B212B33%10C454B656B433B%101
    1B353B768C9213CCCS(=O)(=O)N; N[S](=O)(=O
    )CCC[C]1234[B]567[B]89%10[B]5%11%12[B]%1
    3%14%15[B]%16%17%18[B]8%19([B]169[B]2%16
    %19[B]3%13%17[B]47%11%14)[C]%10%12%15%18    		 Para-Carborane propyl-sulfonamide
    32822
    P8C    		 3 C24 H40 F2 N3 O8 S InChI=1S/C24H38F2N3O8S/c1
    -13(2)9-18(21(31)28-19(22
    (32)38(34,35)36)11-15-5-8
    -27-20(15)30)29-23(33)37-
    12-16-10-17(16)14-3-6-24(
    25,26)7-4-14/h13-19,22,32
    H,3-12H2,1-2H3,(H3-2,27,2
    8,29,30,31,33,34,35,36)/q
    -1/p+2/t15-,16+,17+,18-,1
    9-,22+/m0/s1;
    ACNPODIUBZVYHB-PGIRCJHISA-P    		 CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=
    O)[C@H](O)[S+](=O)(O)O)NC(=O)OC[C@H]2C[C
    @@H]2C3CCC(CC3)(F)F; CC(C)C[CH](NC(=O)OC
    [CH]1C[CH]1C2CCC(F)(F)CC2)C(=O)N[CH](C[C
    H]3CCNC3=O)[CH](O)[S+](O)(O)=O; CC(C)CC(
    C(=O)NC(CC1CCNC1=O)C(O)[S+](=O)(O)O)NC(=
    O)OCC2CC2C3CCC(CC3)(F)F; CC(C)C[C@H](NC(
    =O)OC[C@H]1C[C@@H]1C2CCC(F)(F)CC2)C(=O)N
    [C@@H](C[C@@H]3CCNC3=O)[C@H](O)[S+](O)(O
    )=O    		 [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
    32823
    P8D
    ZINC000025109138    		 1 C7 H14 N O6 P InChI=1S/C7H14NO6P/c1-4(8
    )15(13,14)3-5(7(11)12)2-6
    (9)10/h4-5H,2-3,8H2,1H3,(
    H,9,10)(H,11,12)(H,13,14)
    /t4-,5+/m1/s1;
    LWODXTSWCZWQHR-UHNVWZDZSA-N    		 C[C@H](N)[P](O)(=O)C[C@H](CC(O)=O)C(O)=O
    ; C[CH](N)[P](O)(=O)C[CH](CC(O)=O)C(O)=O
    ; O=P(O)(C(N)C)CC(C(=O)O)CC(=O)O; CC(N)P
    (=O)(CC(CC(=O)O)C(=O)O)O; C[C@H](N)[P@@]
    (=O)(C[C@H](CC(=O)O)C(=O)O)O    		 phosphinate pseudodipeptide L-Ala-D-Asp;
    (2R)-2-{[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid
    32824
    P8E    		 248 C9 H18 N2 O6 InChI=1S/C9H18N2O6/c1-3(1
    2)5(10)7-6(11)4(13)2-9(16
    ,17-7)8(14)15/h3-7,12-13,
    16H,2,10-11H2,1H3,(H,14,1
    5)/t3-,4-,5-,6-,7-,9-/m0/
    s1;
    ZFZFJUIKYIVPNP-YXGHPGITSA-N    		 CC(C(C1C(C(CC(O1)(C(=O)O)O)O)N)N)O; C[C@
    @H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C
    (=O)O)O)O)N)N)O; CC(O)C(C1OC(CC(C1N)O)(O
    )C(O)=O)N; C[C@H](O)[C@H](N)[C@@H]1O[C@@
    ](O)(C[C@H](O)[C@@H]1N)C(O)=O; C[CH](O)[
    CH](N)[CH]1O[C](O)(C[CH](O)[CH]1N)C(O)=O    		 5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid
    32825
    P8F
    CHEMBL1782463
    ZINC000068150110    		 0 C29 H30 F N3 O7 InChI=1S/C29H30FN3O7/c1-3
    2(2)22-18-8-15-7-14-6-13-
    4-3-12(9-33-10-16(30)11-3
    3)5-17(13)23(34)19(14)24(
    35)20(15)26(37)29(18,40)2
    7(38)21(25(22)36)28(31)39
    /h3-6,15-16,18,22,34,36-3
    7,40H,7-11H2,1-2H3,(H2,31
    ,39)/t15-,18-,22-,29-/m0/
    s1;
    DAUIQSOIFWOKJQ-MGVDVOGZSA-N    		 CN(C)C1C2CC3Cc4cc5ccc(cc5c(c4C(=O)C3=C(C
    2(C(=O)C(=C1O)C(=O)N)O)O)O)CN6CC(C6)F; C
    N(C)[C@H]1[C@@H]2C[C@@H]3Cc4cc5ccc(CN6CC
    (F)C6)cc5c(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)
    C(=C1O)C(N)=O; CN(C)[C@H]1[C@@H]2C[C@@H]
    3Cc4cc5ccc(cc5c(c4C(=O)C3=C([C@@]2(C(=O)
    C(=C1O)C(=O)N)O)O)O)CN6CC(C6)F; CN(C)[CH
    ]1[CH]2C[CH]3Cc4cc5ccc(CN6CC(F)C6)cc5c(O
    )c4C(=O)C3=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O    		 Pentacycline;
    (4S,4aS,5aR,14aS)-4-(dimethylamino)-10-[(3-fluoranylazetidin-1-yl)methyl]-3,12,14,14a-tetrakis(oxidanyl)-1,13-bis(oxidanylidene)-4a,5,5a,6-tetrahydro-4H-pentacene-2-carboxamide;
    Pentacycline TP-038
    32826
    P8G    		 1 C25 H40 N6 O16 InChI=1S/C25H40N6O16/c1-4
    2-25-20(41)22(16(37)13(6-
    34)47-25)44-8-10-3-31(29-
    27-10)24-19(40)21(15(36)1
    2(5-33)46-24)43-7-9-2-30(
    28-26-9)23-18(39)17(38)14
    (35)11(4-32)45-23/h2-3,11
    -25,32-41H,4-8H2,1H3/t11-
    ,12-,13-,14+,15+,16+,17+,
    18-,19-,20-,21+,22+,23-,2
    4-,25-/m1/s1;
    ZQXDLGAORGHMLS-LZGLEUEQSA-N    		 CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(
    nn2)[C@@H]3O[C@H](CO)[C@H](O)[C@H](OCc4c
    n(nn4)[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[
    C@H]5O)[C@H]3O)[C@H]1O; COC1C(C(C(C(O1)C
    O)O)OCc2cn(nn2)C3C(C(C(C(O3)CO)O)OCc4cn(
    nn4)C5C(C(C(C(O5)CO)O)O)O)O)O; CO[C@H]1[
    C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2cn(n
    n2)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)
    O)OCc4cn(nn4)[C@H]5[C@@H]([C@H]([C@H]([C
    @H](O5)CO)O)O)O)O)O; CO[CH]1O[CH](CO)[CH
    ](O)[CH](OCc2cn(nn2)[CH]3O[CH](CO)[CH](O
    )[CH](OCc4cn(nn4)[CH]5O[CH](CO)[CH](O)[C
    H](O)[CH]5O)[CH]3O)[CH]1O    		 (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]oxane-3,4,5-triol
    32827
    P8H
    CHEMBL1235119
    ZINC000048551259    		 2 C15 H20 Br N3 O InChI=1S/C15H20BrN3O/c16-
    13-9-12(10-17-11-13)15(20
    )19-7-3-14(4-8-19)18-5-1-
    2-6-18/h9-11,14H,1-8H2;
    CQERVFFAOOUFEQ-UHFFFAOYSA-N    		 c1c(cncc1Br)C(=O)N2CCC(CC2)N3CCCC3; Brc1
    cncc(c1)C(=O)N2CCC(CC2)N3CCCC3; Brc1cc(c
    nc1)C(=O)N3CCC(N2CCCC2)CC3    		 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine
    32828
    P8J    		 1 C16 H27 N3 O11 InChI=1S/C16H27N3O11/c1-2
    7-16-13(26)14(10(23)8(4-2
    1)30-16)28-5-6-2-19(18-17
    -6)15-12(25)11(24)9(22)7(
    3-20)29-15/h2,7-16,20-26H
    ,3-5H2,1H3/t7-,8-,9+,10+,
    11+,12-,13-,14+,15-,16-/m
    1/s1;
    KDTWYQHAYRRJMY-JEECUGMMSA-N    		 CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(
    nn2)[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@
    H]3O)[C@H]1O; COC1C(C(C(C(O1)CO)O)OCc2cn
    (nn2)C3C(C(C(C(O3)CO)O)O)O)O; c2c(COC1C(
    C(OC)OC(CO)C1O)O)nnn2C3C(C(C(C(CO)O3)O)O
    )O; CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)
    CO)O)OCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@H]
    ([C@H](O3)CO)O)O)O)O; CO[CH]1O[CH](CO)[C
    H](O)[CH](OCc2cn(nn2)[CH]3O[CH](CO)[CH](
    O)[CH](O)[CH]3O)[CH]1O    		 methyl 3-O-[(1-beta-D-galactopyranosyl-1H-1,2,3-triazol-4-yl)methyl]-beta-D-galactopyranoside
    32829
    P8K    		 8 C14 H31 O3 P InChI=1S/C14H31O3P/c1-3-5
    -7-9-10-11-13-17-18(15,16
    )14-12-8-6-4-2/h3-14H2,1-
    2H3,(H,15,16);
    ITXAFDXPCLYZIG-UHFFFAOYSA-N    		 CCCCCCCCO[P](O)(=O)CCCCCC; CCCCCCCCOP(=O
    )(CCCCCC)O    		 hexyl(octoxy)phosphinic acid
    32830
    P8L    		 3 C24 H42 N3 O8 S InChI=1S/C24H40N3O8S/c1-1
    4(2)10-19(27-24(31)35-13-
    17-11-18(17)15-6-4-3-5-7-
    15)22(29)26-20(23(30)36(3
    2,33)34)12-16-8-9-25-21(1
    6)28/h14-20,23,30H,3-13H2
    ,1-2H3,(H3-2,25,26,27,28,
    29,31,32,33,34)/q-1/p+2/t
    16-,17+,18+,19-,20-,23+/m
    0/s1;
    BNNIGFVXMNVYNU-HUWCRECTSA-P    		 CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)[S+](=O)(
    O)O)NC(=O)OCC2CC2C3CCCCC3; CC(C)C[C@@H](
    C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)[S+
    ](=O)(O)O)NC(=O)OC[C@H]2C[C@@H]2C3CCCCC3
    ; CC(C)C[CH](NC(=O)OC[CH]1C[CH]1C2CCCCC2
    )C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)
    (O)=O; CC(C)C[C@H](NC(=O)OC[C@H]1C[C@@H]
    1C2CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[
    C@H](O)[S+](O)(O)=O    		 [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
    32831
    P8M
    CHEMBL4782843    		 6 C31 H28 F2 N4 O4 S2 InChI=1S/C31H28F2N4O4S2/c
    32-24-11-10-22(16-21(24)9
    -7-18-3-1-2-4-18)29-23(13
    -20-8-12-28(25(33)14-20)4
    3(34,40)41)27(15-19-5-6-1
    9)37(36-29)31-35-26(17-42
    -31)30(38)39/h8,10-12,14,
    16-19H,1-6,13,15H2,(H,38,
    39)(H2,34,40,41);
    KTCLNOGFWLXRFB-UHFFFAOYSA-N    		 c1cc(c(cc1Cc2c(n(nc2c3ccc(c(c3)C#CC4CCCC
    4)F)c5nc(cs5)C(=O)O)CC6CC6)F)S(=O)(=O)N;
    C(c2c(Cc1cc(c(S(N)(=O)=O)cc1)F)c(nn2c3s
    cc(n3)C(O)=O)c4ccc(c(c4)C#CC5CCCC5)F)C6C
    C6; N[S](=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2c
    4ccc(F)c(c4)C#CC5CCCC5)c6scc(n6)C(O)=O)c
    c1F    		 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid
    32832
    P8N
    CHEMBL5179492    		 1 C29 H27 Cl N6 O3 S InChI=1S/C29H27ClN6O3S/c1
    -16-17(2)40-29-26(16)27(2
    1-9-11-22(30)12-10-21)32-
    23(28-34-33-18(3)36(28)29
    )14-25(38)31-15-20-6-4-19
    (5-7-20)8-13-24(37)35-39/
    h4-13,23,39H,14-15H2,1-3H
    3,(H,31,38)(H,35,37)/b13-
    8+/t23-/m0/s1;
    VXVJYUDHNXUFIO-NWMLYGLHSA-N    		 Cc1sc2n3c(C)nnc3[CH](CC(=O)NCc4ccc(C=CC(
    =O)NO)cc4)N=C(c5ccc(Cl)cc5)c2c1C; Cc1c(s
    c-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCc4ccc(cc4
    )C=CC(=O)NO)c5ccc(cc5)Cl)C; Cc1c(sc-2c1C
    (=N[C@H](c3n2c(nn3)C)CC(=O)NCc4ccc(cc4)/
    C=C/C(=O)NO)c5ccc(cc5)Cl)C; Cc1sc2n3c(C)
    nnc3[C@H](CC(=O)NCc4ccc(/C=C/C(=O)NO)cc4
    )N=C(c5ccc(Cl)cc5)c2c1C    		 (~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide;
    TW22
    32833
    P8O
    CHEMBL5276842    		 2 C24 H22 F3 N7 S InChI=1S/C24H22F3N7S/c25-
    24(26,27)19-16(6-3-9-29-1
    9)35-17-13-30-20-21(31-17
    )33-22(32-20)34-10-7-23(8
    -11-34)12-14-4-1-2-5-15(1
    4)18(23)28/h1-6,9,13,18H,
    7-8,10-12,28H2,(H,30,31,3
    2,33)/t18-/m1/s1;
    REEKVEYVOMDHAS-GOSISDBHSA-N    		 c1ccc2c(c1)CC3(C2N)CCN(CC3)c4[nH]c5c(n4)
    ncc(n5)Sc6cccnc6C(F)(F)F; N[C@@H]1c2cccc
    c2CC13CCN(CC3)c4[nH]c5nc(Sc6cccnc6C(F)(F
    )F)cnc5n4; c1ccc2c(c1)CC3([C@@H]2N)CCN(C
    C3)c4[nH]c5c(n4)ncc(n5)Sc6cccnc6C(F)(F)F
    ; N[CH]1c2ccccc2CC13CCN(CC3)c4[nH]c5nc(S
    c6cccnc6C(F)(F)F)cnc5n4    		 (1~{S})-1'-[5-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-3~{H}-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
    32834
    P8P
    CHEMBL191055    		 1 C19 H38 O11 P2 InChI=1S/C19H38O11P2/c1-3
    -5-7-9-11-13-18(20)27-15-
    17(16-28-32(25,26)30-31(2
    2,23)24)29-19(21)14-12-10
    -8-6-4-2/h17H,3-16H2,1-2H
    3,(H,25,26)(H2,22,23,24)/
    t17-/m1/s1;
    MBDSUZSCJLRKPC-QGZVFWFLSA-N    		 CCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)O)OC(
    =O)CCCCCCC; O=P(O)(O)OP(=O)(OCC(OC(=O)CC
    CCCCC)COC(=O)CCCCCCC)O; CCCCCCCC(=O)OC[C
    H](CO[P](O)(=O)O[P](O)(O)=O)OC(=O)CCCCCC
    C; CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OP(
    =O)(O)O)OC(=O)CCCCCCC; CCCCCCCC(=O)OC[C@
    H](CO[P](O)(=O)O[P](O)(O)=O)OC(=O)CCCCCC
    C    		 (2R)-3-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate;
    dioctanoylglycerol pyrophosphate
    32835
    P8Q
    CHEMBL5187070    		 1 C33 H36 Cl N7 O4 S InChI=1S/C33H36ClN7O4S/c1
    -19-20(2)46-33-30(19)31(2
    2-10-12-23(34)13-11-22)37
    -26(32-39-38-21(3)41(32)3
    3)18-29(44)36-25-16-14-24
    (15-17-25)35-27(42)8-6-4-
    5-7-9-28(43)40-45/h10-17,
    26,45H,4-9,18H2,1-3H3,(H,
    35,42)(H,36,44)(H,40,43)/
    t26-/m0/s1;
    CKKMTTRRFWJCCL-SANMLTNESA-N    		 Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)N
    c4ccc(cc4)NC(=O)CCCCCCC(=O)NO)c5ccc(cc5)
    Cl)C; Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O
    )Nc4ccc(cc4)NC(=O)CCCCCCC(=O)NO)c5ccc(cc
    5)Cl)C; Cc1sc2n3c(C)nnc3[CH](CC(=O)Nc4cc
    c(NC(=O)CCCCCCC(=O)NO)cc4)N=C(c5ccc(Cl)c
    c5)c2c1C; Cc1sc2n3c(C)nnc3[C@H](CC(=O)Nc
    4ccc(NC(=O)CCCCCCC(=O)NO)cc4)N=C(c5ccc(C
    l)cc5)c2c1C    		 (S)-N1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-N8-hydroxyoctanediamide;
    TW12
    32836
    P8R    		 0 C24 H50 O12 InChI=1S/C24H50O12/c1-25-
    3-5-27-7-9-29-11-13-31-15
    -17-33-19-21-35-23-24-36-
    22-20-34-18-16-32-14-12-3
    0-10-8-28-6-4-26-2/h3-24H
    2,1-2H3;
    WIQLMXVAXHHJSM-UHFFFAOYSA-N    		 COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC 1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
    32837
    P8S
    CHEMBL1876554
    ZINC000038141428    		 4 C8 H F17 O3 S InChI=1S/C8HF17O3S/c9-1(1
    0,3(13,14)5(17,18)7(21,22
    )23)2(11,12)4(15,16)6(19,
    20)8(24,25)29(26,27)28/h(
    H,26,27,28);
    YFSUTJLHUFNCNZ-UHFFFAOYSA-N    		 O[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)
    C(F)(F)C(F)(F)C(F)(F)C(F)(F)F; C(C(C(C(C
    (F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F
    )(F)F)(F)F)(F)F)(F)F; FC(F)(C(F)(F)S(=O)
    (=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F
    )C(F)(F)F    		 heptadecafluoro-1-octanesulfonic acid;
    perfluorooctane sulfonate
    32838
    P8T
    CHEMBL5197137    		 1 C32 H28 Cl N7 O2 S InChI=1S/C32H28ClN7O2S/c1
    -17-18(2)43-32-28(17)29(2
    0-8-12-22(33)13-9-20)36-2
    6(30-39-38-19(3)40(30)32)
    16-27(41)35-23-14-10-21(1
    1-15-23)31(42)37-25-7-5-4
    -6-24(25)34/h4-15,26H,16,
    34H2,1-3H3,(H,35,41)(H,37
    ,42)/t26-/m0/s1;
    GGZYNJKDGRBRKG-SANMLTNESA-N    		 Cc1sc2n3c(C)nnc3[C@H](CC(=O)Nc4ccc(cc4)C
    (=O)Nc5ccccc5N)N=C(c6ccc(Cl)cc6)c2c1C; C
    c1sc2n3c(C)nnc3[CH](CC(=O)Nc4ccc(cc4)C(=
    O)Nc5ccccc5N)N=C(c6ccc(Cl)cc6)c2c1C; Cc1
    c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)Nc4ccc(c
    c4)C(=O)Nc5ccccc5N)c6ccc(cc6)Cl)C; Cc1c(
    sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc
    (cc4)C(=O)Nc5ccccc5N)c6ccc(cc6)Cl)C    		 ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide;
    TW9
    32839
    P8U    		 2 C24 H42 N3 O8 S InChI=1S/C24H40N3O8S/c1-1
    4(2)10-19(27-24(31)35-13-
    17-11-18(17)15-6-4-3-5-7-
    15)22(29)26-20(23(30)36(3
    2,33)34)12-16-8-9-25-21(1
    6)28/h14-20,23,30H,3-13H2
    ,1-2H3,(H3-2,25,26,27,28,
    29,31,32,33,34)/q-1/p+2/t
    16-,17+,18+,19-,20-,23-/m
    0/s1;
    BNNIGFVXMNVYNU-MWOXCZGJSA-P    		 CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=
    O)[C@@H](O)[S+](=O)(O)O)NC(=O)OC[C@H]2C[
    C@@H]2C3CCCCC3; CC(C)CC(C(=O)NC(CC1CCNC1
    =O)C(O)[S+](=O)(O)O)NC(=O)OCC2CC2C3CCCCC
    3; CC(C)C[C@H](NC(=O)OC[C@H]1C[C@@H]1C2C
    CCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H
    ](O)[S+](O)(O)=O; CC(C)C[CH](NC(=O)OC[CH
    ]1C[CH]1C2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=
    O)[CH](O)[S+](O)(O)=O    		 [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
    32840
    P8V
    CHEMBL4753379    		 4 C31 H25 F N4 O4 S3 InChI=1S/C31H25FN4O4S3/c1
    -18-5-10-23(42-18)11-8-19
    -3-2-4-22(13-19)29-24(14-
    21-9-12-28(25(32)15-21)43
    (33,39)40)27(16-20-6-7-20
    )36(35-29)31-34-26(17-41-
    31)30(37)38/h2-5,9-10,12-
    13,15,17,20H,6-7,14,16H2,
    1H3,(H,37,38)(H2,33,39,40
    );
    LZIKVHXLVMNROK-UHFFFAOYSA-N    		 C(c1ccc(C)s1)#Cc2cccc(c2)c3nn(c(c3Cc4cc(
    c(S(N)(=O)=O)cc4)F)CC5CC5)c6nc(cs6)C(O)=
    O; Cc1ccc(s1)C#Cc2cccc(c2)c3c(c(n(n3)c4n
    c(cs4)C(=O)O)CC5CC5)Cc6ccc(c(c6)F)S(=O)(
    =O)N; Cc1sc(cc1)C#Cc2cccc(c2)c3nn(c4scc(
    n4)C(O)=O)c(CC5CC5)c3Cc6ccc(c(F)c6)[S](N
    )(=O)=O    		 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
    32841
    P8W
    CHEMBL4633192    		 2 C19 H19 N3 O InChI=1S/C19H19N3O/c1-14-
    18(13-21-22(2)19(14)23)20
    -12-16-10-6-7-11-17(16)15
    -8-4-3-5-9-15/h3-11,13,20
    H,12H2,1-2H3;
    JLOICACPNWZYGI-UHFFFAOYSA-N    		 CC1=C(C=NN(C1=O)C)NCc2ccccc2c3ccccc3; CN
    1N=CC(=C(C)C1=O)NCc2ccccc2c3ccccc3    		 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one;
    Biphenyl-methylamino-dimethylpyridazinone
    32842
    P8X
    ZINC000263620702    		 1 C44 H58 N4 O14 InChI=1S/C44H58N4O14/c1-2
    1-37-24(10-13-32(53)54)40
    (2,3)28(46-37)17-26-22(8-
    11-30(49)50)42(5,19-35(59
    )60)29(45-26)18-27-23(9-1
    2-31(51)52)43(6,20-36(61)
    62)44(7,48-27)39-25(16-34
    (57)58)41(4,38(21)47-39)1
    5-14-33(55)56/h17-18,21-2
    3,25,39,48H,8-16,19-20H2,
    1-7H3,(H,49,50)(H,51,52)(
    H,53,54)(H,55,56)(H,57,58
    )(H,59,60)(H,61,62)/b26-1
    7-,27-18-/t21-,22-,23-,25
    +,39-,41-,42+,43+,44+/m1/
    s1;
    LIJKCTVSMYEQAC-IBWMGOEXSA-N    		 CC1C2=C(C(C(=N2)C=C3C(C(C(=N3)C=C4C(C(C(
    N4)(C5C(C(C1=N5)(C)CCC(=O)O)CC(=O)O)C)(C
    )CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)(C
    )C)CCC(=O)O; C[C@@H]1C2=C(CCC(O)=O)C(C)(
    C)C(=N2)/C=C/3N=C(/C=C/4N[C@@](C)([C@@H]
    5N=C1[C@](C)(CCC(O)=O)[C@H]5CC(O)=O)[C@@
    ](C)(CC(O)=O)[C@@H]/4CCC(O)=O)[C@@](C)(C
    C(O)=O)[C@@H]/3CCC(O)=O; C[CH]1C2=C(CCC(
    O)=O)C(C)(C)C(=N2)C=C3N=C(C=C4N[C](C)([C
    H]5N=C1[C](C)(CCC(O)=O)[CH]5CC(O)=O)[C](
    C)(CC(O)=O)[CH]4CCC(O)=O)[C](C)(CC(O)=O)
    [CH]3CCC(O)=O; C[C@@H]1C2=C(C(C(=N2)/C=C
    \3/[C@H]([C@](C(=N3)/C=C\4/[C@H]([C@]([C
    @@](N4)([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(
    =O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)(C)CC
    (=O)O)CCC(=O)O)(C)C)CCC(=O)O    		 DESMETHYL-HBA
    32843
    P8Y    		 2 C12 H25 N O5 S InChI=1S/C12H25NO5S/c1-8(
    2)4-3-5-19(17,18)7-9-11(1
    5)12(16)10(14)6-13-9/h8-1
    6H,3-7H2,1-2H3/t9-,10-,11
    +,12+/m1/s1;
    MIGRFAIIVQTLPR-WYUUTHIRSA-N    		 CC(C)CCCS(=O)(=O)C[C@@H]1[C@@H]([C@H]([C
    @@H](CN1)O)O)O; C(CS(CC1NCC(C(C1O)O)O)(=
    O)=O)CC(C)C; CC(C)CCC[S](=O)(=O)C[CH]1NC
    [CH](O)[CH](O)[CH]1O; CC(C)CCC[S](=O)(=O
    )C[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O; CC(C
    )CCCS(=O)(=O)CC1C(C(C(CN1)O)O)O    		 (2S,3S,4S,5R)-2-{[(4-methylpentyl)sulfonyl]methyl}piperidine-3,4,5-triol
    32844
    P8Z
    CHEMBL4648548    		 1 C18 H25 N5 O InChI=1S/C18H25N5O/c1-14-
    16(13-20-22(3)18(14)24)19
    -12-15-6-4-5-7-17(15)23-1
    0-8-21(2)9-11-23/h4-7,13,
    19H,8-12H2,1-3H3;
    HONYBLSJNSYWKQ-UHFFFAOYSA-N    		 CC1=C(C=NN(C1=O)C)NCc2ccccc2N3CCN(CC3)C;
    CN1CCN(CC1)c2ccccc2CNC3=C(C)C(=O)N(C)N=
    C3    		 2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one;
    dimethyl-methylpiperazinyl-benzyl-aminopyridazinone
    32845
    P90
    DB04285
    ZINC000014881165    		 4 C31 H25 F2 N4 O3 P S InChI=1S/C31H25F2N4O3PS/c
    32-31(33,41(38,39)40)24-1
    8-16-23(17-19-24)21-30(20
    -8-11-22-9-2-1-3-10-22,29
    -34-26-13-5-7-15-28(26)42
    -29)37-27-14-6-4-12-25(27
    )35-36-37/h1-19H,20-21H2,
    (H2,38,39,40)/b11-8+/t30-
    /m1/s1;
    GBLDYRVJENYQNH-AGLOJYHOSA-N    		 c1ccc(cc1)\C=C\C[C@@](Cc2ccc(cc2)C(F)(F)
    P(=O)(O)O)(c3nc4ccccc4s3)n5c6ccccc6nn5;
    FC(F)(c1ccc(cc1)CC(c2nc3ccccc3s2)(n5nnc4
    ccccc45)C\C=C\c6ccccc6)P(=O)(O)O; O[P](O
    )(=O)C(F)(F)c1ccc(C[C@@](C\C=C\c2ccccc2)
    (n3nnc4ccccc34)c5sc6ccccc6n5)cc1; c1ccc(
    cc1)C=CCC(Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(c
    3nc4ccccc4s3)n5c6ccccc6nn5; O[P](O)(=O)C
    (F)(F)c1ccc(C[C](CC=Cc2ccccc2)(n3nnc4ccc
    cc34)c5sc6ccccc6n5)cc1    		 {4-[(2S,4E)-2-(1,3-BENZOTHIAZOL-2-YL)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-5-PHENYLPENT-4-ENYL]PHENYL}(DIFLUORO)METHYLPHOSPHONIC ACID
    32846
    P91
    DB08365
    ZINC000038256084    		 1 C20 H15 Br Cl N3 O4 InChI=1S/C20H15BrClN3O4/c
    1-25-12-8-10(9-4-2-3-5-11
    (9)22)13-15(19(28)24-18(1
    3)27)14(12)16(21)17(25)20
    (29)23-6-7-26/h2-5,8,26H,
    6-7H2,1H3,(H,23,29)(H,24,
    27,28);
    XUAHLMVOYLUYSB-UHFFFAOYSA-N    		 Clc4ccccc4c2c1C(=O)NC(=O)c1c3c(c2)n(c(c3
    Br)C(=O)NCCO)C; Cn1c2cc(c3c(c2c(c1C(=O)N
    CCO)Br)C(=O)NC3=O)c4ccccc4Cl; Cn1c2cc(c3
    ccccc3Cl)c4C(=O)NC(=O)c4c2c(Br)c1C(=O)NC
    CO    		 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide
    32847
    P92
    CHEMBL113414
    ZINC000012341569    		 1 C7 H5 N O S InChI=1S/C7H5NOS/c10-7-8-
    5-3-1-2-4-6(5)9-7/h1-4H,(
    H,8,10);
    FLFWJIBUZQARMD-UHFFFAOYSA-N    		 S=C1Nc2ccccc2O1; c1ccc2c(c1)NC(=S)O2 3~{H}-1,3-benzoxazole-2-thione
    32848
    P93    		 1 C10 H14 N2 O2 InChI=1S/C10H14N2O2/c13-1
    0(12-4-1-2-5-12)11-7-9-3-
    6-14-8-9/h3,6,8H,1-2,4-5,
    7H2,(H,11,13);
    ONGBBTQZWYAQQB-UHFFFAOYSA-N    		 O=C(NCc1cocc1)N2CCCC2; O=C(N1CCCC1)NCc2c
    occ2; c1cocc1CNC(=O)N2CCCC2    		 N-[(furan-3-yl)methyl]pyrrolidine-1-carboxamide
    32849
    P94
    CHEMBL4062164    		 6 C19 H18 N4 InChI=1S/C19H18N4/c20-12-
    15-3-1-14(2-4-15)9-10-22-
    13-16-5-6-17-7-8-19(21)23
    -18(17)11-16/h1-8,11,22H,
    9-10,13H2,(H2,21,23);
    CDHZAJGZCBJOTB-UHFFFAOYSA-N    		 c1cc(ccc1CCNCc2ccc3ccc(nc3c2)N)C#N; N#Cc
    3ccc(CCNCc1cc2c(cc1)ccc(N)n2)cc3; Nc1ccc
    2ccc(CNCCc3ccc(cc3)C#N)cc2n1    		 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile
    32850
    P95
    CHEMBL4574762    		 1 C16 H10 N6 O2 S2 InChI=1S/C16H10N6O2S2/c23
    -12(22-16-18-4-1-5-19-16)
    9-3-7-25-14(9)21-13(24)15
    -20-10-8-17-6-2-11(10)26-
    15/h1-8H,(H,21,24)(H,18,1
    9,22,23);
    AJCHWWGZVVPQDY-UHFFFAOYSA-N    		 c1cnc(nc1)NC(=O)c2ccsc2NC(=O)c3nc4cnccc4
    s3; O=C(Nc1sccc1C(=O)Nc2ncccn2)c3sc4ccnc
    c4n3    		 ~{N}-[3-(pyrimidin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
    32851
    P96
    CHEMBL4170894
    ZINC000095631304    		 2 C25 H32 I N3 O InChI=1S/C25H32IN3O/c1-3-
    29(4-2)23-12-15-28(16-13-
    23)19-21-17-20(18-24(26)2
    5(21)30)9-8-14-27-22-10-6
    -5-7-11-22/h5-7,10-11,17-
    18,23,27,30H,3-4,12-16,19
    H2,1-2H3;
    IZUZDXSTWPMHFT-UHFFFAOYSA-N    		 CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCNc3c
    cccc3; Ic2c(O)c(cc(C#CCNc1ccccc1)c2)CN3C
    CC(N(CC)CC)CC3; CCN(CC)C1CCN(CC1)Cc2cc(c
    c(I)c2O)C#CCNc3ccccc3    		 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol
    32852
    P97
    ZINC000095920845    		 1 C20 H23 Cl N4 O2 InChI=1S/C20H23ClN4O2/c21
    -16-8-9-23-12-15(16)13-24
    -19(26)18-7-4-10-25(18)20
    (27)17(22)11-14-5-2-1-3-6
    -14/h1-3,5-6,8-9,12,17-18
    H,4,7,10-11,13,22H2,(H,24
    ,26)/t17-,18+/m1/s1;
    ZRBVLANXQQYBLM-MSOLQXFVSA-N    		 c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NC
    c3cnccc3Cl)N; c1ccc(cc1)CC(C(=O)N2CCCC2C
    (=O)NCc3cnccc3Cl)N; N[CH](Cc1ccccc1)C(=O
    )N2CCC[CH]2C(=O)NCc3cnccc3Cl; N[C@H](Cc1
    ccccc1)C(=O)N2CCC[C@H]2C(=O)NCc3cnccc3Cl
    ; O=C(NCc1c(Cl)ccnc1)C3N(C(=O)C(N)Cc2ccc
    cc2)CCC3    		 D-phenylalanyl-N-[(4-chloropyridin-3-yl)methyl]-L-prolinamide
    32853
    P98
    CHEMBL3091492
    ZINC000095921005    		 2 C26 H23 N3 O InChI=1S/C26H23N3O/c1-18(
    2)26-28-24-15-14-22(16-25
    (24)29(26)21-9-4-3-5-10-2
    1)30-17-20-13-12-19-8-6-7
    -11-23(19)27-20/h3-16,18H
    ,17H2,1-2H3;
    DUSPRZSUFQRSKK-UHFFFAOYSA-N    		 CC(C)c1nc2ccc(cc2n1c3ccccc3)OCc4ccc5cccc
    c5n4; CC(C)c1nc2ccc(OCc3ccc4ccccc4n3)cc2
    n1c5ccccc5; n4c3ccc(OCc1nc2c(cc1)cccc2)c
    c3n(c4C(C)C)c5ccccc5    		 2-({[1-phenyl-2-(propan-2-yl)-1H-benzimidazol-6-yl]oxy}methyl)quinoline
    32854
    P99
    CHEMBL1097940
    ZINC000002541692    		 4 C16 H16 F2 N2 O4 S2 InChI=1S/C16H16F2N2O4S2/c
    17-13-8-11(9-14(18)16(13)
    24-10-15(19)21)25-7-6-20-
    26(22,23)12-4-2-1-3-5-12/
    h1-5,8-9,20H,6-7,10H2,(H2
    ,19,21);
    GTACSIONMHMRPD-UHFFFAOYSA-N    		 NC(=O)COc1c(F)cc(SCCN[S](=O)(=O)c2ccccc2
    )cc1F; O=S(=O)(c1ccccc1)NCCSc2cc(F)c(OCC
    (=O)N)c(F)c2; c1ccc(cc1)S(=O)(=O)NCCSc2c
    c(c(c(c2)F)OCC(=O)N)F    		 2-[2,6-difluoro-4-({2-[(phenylsulfonyl)amino]ethyl}sulfanyl)phenoxy]acetamide;
    2-[4-[2-(benzenesulfonamido)ethylsulfanyl]-2,6-difluorophenoxy]acetamide
    32855
    P9A
    CHEMBL1235122
    DB08366
    ZINC000035050252    		 1 C24 H29 N O7 InChI=1S/C24H29NO7/c1-22(
    7-6-17(28)25-18-14(26)4-3
    -13(19(18)29)21(30)31)16(
    27)5-8-24-10-12-9-15(20(2
    2)24)32-23(12,2)11-24/h3-
    4,12,15,20,26,29H,5-11H2,
    1-2H3,(H,25,28)(H,30,31)/
    t12-,15+,20+,22-,23+,24+/
    m1/s1;
    XADCWKSMHQPTGH-OFBLZTNGSA-N    		 C[C@@]12C[C@@]34CCC(=O)[C@@]([C@@H]3[C@@
    H](O1)C[C@@H]2C4)(C)CCC(=O)Nc5c(ccc(c5O)
    C(=O)O)O; C[C@]12C[C@@]34CCC(=O)[C@@](C)
    (CCC(=O)Nc5c(O)ccc(C(O)=O)c5O)[C@@H]3[C@
    H](C[C@@H]1C4)O2; CC12CC34CCC(=O)C(C3C(O
    1)CC2C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O;
    C[C]12C[C]34CCC(=O)[C](C)(CCC(=O)Nc5c(O
    )ccc(C(O)=O)c5O)[CH]3[CH](C[CH]1C4)O2; O
    =C(O)c1c(O)c(c(O)cc1)NC(=O)CCC5(C(=O)CCC
    34CC2CC(OC2(C3)C)C45)C    		 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid
    32856
    P9B
    CHEMBL316779
    ZINC000003960038    		 1 C13 H8 F5 N3 O3 S InChI=1S/C13H8F5N3O3S/c14
    -7-8(15)10(17)12(11(18)9(
    7)16)21-13(22)20-5-1-3-6(
    4-2-5)25(19,23)24/h1-4H,(
    H2,19,23,24)(H2,20,21,22);
    IOSBUNBTXXXMFG-UHFFFAOYSA-N    		 O=S(=O)(N)c2ccc(NC(=O)Nc1c(F)c(F)c(F)c(F
    )c1F)cc2; c1cc(ccc1NC(=O)Nc2c(c(c(c(c2F)
    F)F)F)F)S(=O)(=O)N; N[S](=O)(=O)c1ccc(NC
    (=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1    		 4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide
    32857
    P9C
    ZINC000058549853    		 1 C30 H33 N O7 InChI=1S/C30H33NO7/c1-28(
    11-10-23(34)31-24-20(32)9
    -8-18(25(24)35)27(36)37)2
    2(33)13-19(16-6-4-3-5-7-1
    6)30-14-17-12-21(26(28)30
    )38-29(17,2)15-30/h3-9,17
    ,19,21,26,32,35H,10-15H2,
    1-2H3,(H,31,34)(H,36,37)/
    t17-,19-,21+,26+,28-,29+,
    30+/m1/s1;
    WDRJLSQVOAFEDA-ZORPPZNDSA-N    		 C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](
    C(=O)C[C@@H]4c5ccccc5)(C)CCC(=O)Nc6c(ccc
    (c6O)C(=O)O)O)O2; C[C@]12C[C@]34C[C@H]1C
    [C@H](O2)[C@H]3[C@](C)(CCC(=O)Nc5c(O)ccc
    (C(O)=O)c5O)C(=O)C[C@@H]4c6ccccc6; CC12C
    C34CC1CC(C3C(C(=O)CC4c5ccccc5)(C)CCC(=O)
    Nc6c(ccc(c6O)C(=O)O)O)O2; O=C(O)c1c(O)c(
    c(O)cc1)NC(=O)CCC3(C(=O)CC(c2ccccc2)C46C
    3C5OC(C)(C4)C(C5)C6)C; C[C]12C[C]34C[CH]
    1C[CH](O2)[CH]3[C](C)(CCC(=O)Nc5c(O)ccc(
    C(O)=O)c5O)C(=O)C[CH]4c6ccccc6    		 3-({3-[(1S,4S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-4-phenyldecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid
    32858
    P9D
    CHEMBL394052    		 3 C31 H39 N11 O6 S InChI=1S/C31H39N11O6S/c1-
    31(2,3)22-18-49-29(33-22)
    35-27(45)19-10-13-41-24(1
    5-19)34-26(21(28(41)46)8-
    9-23-36-38-39-37-23)40-12
    -6-7-20(16-40)48-30(47)32
    -11-14-42(4,5)17-25(43)44
    /h8-10,13,15,18,20H,6-7,1
    1-12,14,16-17H2,1-5H3,(H3
    -,32,33,35,36,37,38,39,43
    ,44,45,47)/t20-/m1/s1;
    RVJNIKFVEAWLQC-HXUWFJFHSA-N    		 CC(C)(C)c1csc(n1)NC(=O)C2=CC3=NC(=C(C(=O
    )N3C=C2)C=Cc4[nH]nnn4)N5CCCC(C5)OC(=O)NC
    C[N+](C)(C)CC(=O)[O-]; CC(C)(C)c1csc(NC(
    =O)C2=CC3=NC(=C(\C=C\c4[nH]nnn4)C(=O)N3C
    =C2)N5CCC[C@H](C5)OC(=O)NCC[N+](C)(C)CC(
    [O-])=O)n1; CC(C)(C)c1csc(n1)NC(=O)C2=CC
    3=NC(=C(C(=O)N3C=C2)/C=C/c4[nH]nnn4)N5CC
    C[C@H](C5)OC(=O)NCC[N+](C)(C)CC(=O)[O-];
    O=C(Nc1nc(cs1)C(C)(C)C)C5=CC4=NC(N2CCCC
    (OC(=O)NCC[N+](CC([O-])=O)(C)C)C2)=C(\C=
    C\c3nnnn3)C(=O)N4C=C5; CC(C)(C)c1csc(NC(
    =O)C2=CC3=NC(=C(C=Cc4[nH]nnn4)C(=O)N3C=C
    2)N5CCC[CH](C5)OC(=O)NCC[N+](C)(C)CC([O-
    ])=O)n1    		 [{2-[({[(3R)-1-{8-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-4-oxo-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidin-3-yl]oxy}carbonyl)amino]ethyl}(dimethyl)ammonio]acetate
    32859
    P9E
    ZINC000034925135    		 2 C7 H6 N2 O3 S2 InChI=1S/C7H6N2O3S2/c8-14
    (10,11)4-1-2-6-5(3-4)9-7(
    13)12-6/h1-3H,(H,9,13)(H2
    ,8,10,11);
    SCMGHROIQYCXRC-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc2OC(=S)Nc2c1; c1cc2c(cc
    1S(=O)(=O)N)NC(=S)O2    		 2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide
    32860
    P9F    		 1 C25 H29 Cl N2 O5 InChI=1S/C25H29ClN2O5/c26
    -19-11-13-20(14-12-19)33-
    25(32)28-21(15-17-7-3-1-4
    -8-17)23(29)27-22(24(30)3
    1)16-18-9-5-2-6-10-18/h2,
    5-6,9-14,17,21-22H,1,3-4,
    7-8,15-16H2,(H,27,29)(H,2
    8,32)(H,30,31)/t21-,22-/m
    0/s1;
    XQAHEQBJBQAMLZ-VXKWHMMOSA-N    		 c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@H](CC2
    CCCCC2)NC(=O)Oc3ccc(cc3)Cl; OC(=O)[CH](C
    c1ccccc1)NC(=O)[CH](CC2CCCCC2)NC(=O)Oc3c
    cc(Cl)cc3; c1ccc(cc1)CC(C(=O)O)NC(=O)C(C
    C2CCCCC2)NC(=O)Oc3ccc(cc3)Cl; OC(=O)[C@H
    ](Cc1ccccc1)NC(=O)[C@H](CC2CCCCC2)NC(=O)
    Oc3ccc(Cl)cc3    		 (2S)-2-[[(2S)-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid;
    (2~{S})-2-[[(2~{S})-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid
    32861
    P9G    		 0 C23 H27 N8 O7 P Pt InChI=1S/C13H9N.C10H14N5O
    7P.2H2N.Pt/c1-2-6-11-10(5
    -1)9-14-13-8-4-3-7-12(11)
    13;11-10-13-8-7(9(17)14-1
    0)12-3-15(8)6-1-4(16)5(22
    -6)2-21-23(18,19)20;;;/h1
    -9H;3-6,16H,1-2H2,(H2,18,
    19,20)(H3,11,13,14,17);2*
    1H2;/q;;2*-1;+2/t;4-,5+,6
    +;;;/m.0.../s1;
    ZHXCYGVJRWIEAF-LKLUREFCSA-N    		 C1C(C(OC1N2C=[N](C3=C2N=C(NC3=O)N)[Pt](N
    )(N)[N]4=C5C=CC=CC5=C6C=CC=CC6=C4)COP(=O
    )(O)O)O; O=P(O)(O)OCC6OC(n2cn(c1c2N=C(N)
    NC1=O)[Pt](N)(N)n5c3ccccc3c4ccccc4c5)CC6
    O; N[Pt](N)(|n1cc2ccccc2c3ccccc13)|n4cn(
    [C@H]5C[C@H](O)[C@@H](CO[P](O)(O)=O)O5)c
    6nc(N)[nH]c(=O)c46; C1[C@@H]([C@H](O[C@H
    ]1N2C=[N](C3=C2N=C(NC3=O)N)[Pt](N)(N)[N]
    4=C5C=CC=CC5=C6C=CC=CC6=C4)COP(=O)(O)O)O
    ; N[Pt](N)(|n1cc2ccccc2c3ccccc13)|n4cn([
    CH]5C[CH](O)[CH](CO[P](O)(O)=O)O5)c6nc(N
    )[nH]c(=O)c46    		 diamino(2'-deoxy-5'-guanylic acid-kappaN~8~)(phenanthridine)platinum
    32862
    P9H    		 4 C19 H25 N3 O7 S InChI=1S/C19H25N3O7S/c20-
    13(19(28)29)6-7-16(24)22-
    14(18(27)21-10-17(25)26)1
    1-30-15(8-9-23)12-4-2-1-3
    -5-12/h1-5,9,13-15H,6-8,1
    0-11,20H2,(H,21,27)(H,22,
    24)(H,25,26)(H,28,29)/t13
    -,14-,15+/m0/s1;
    OOFSDLPAAPKBNR-SOUVJXGZSA-N    		 c1ccc(cc1)[C@@H](CC=O)SC[C@@H](C(=O)NCC(
    =O)O)NC(=O)CC[C@@H](C(=O)O)N; N[CH](CCC(
    =O)N[CH](CS[CH](CC=O)c1ccccc1)C(=O)NCC(O
    )=O)C(O)=O; c1ccc(cc1)C(CC=O)SCC(C(=O)NC
    C(=O)O)NC(=O)CCC(C(=O)O)N; N[C@@H](CCC(=
    O)N[C@@H](CS[C@H](CC=O)c1ccccc1)C(=O)NCC
    (O)=O)C(O)=O    		 (2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-[(1~{R})-3-oxidanylidene-1-phenyl-propyl]sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid;
    Glutathionyl-cinnamaldehyde
    32863
    P9I
    ZINC000095920609    		 3 C15 H13 N2 O InChI=1S/C15H12N2O/c1-11(
    18)15-10-12(13-6-2-4-8-16
    -13)14-7-3-5-9-17(14)15/h
    2-10H,1H3/p+1;
    WOSGOHDUUBVSBO-UHFFFAOYSA-O    		 C/C(=C/1\C=C(c2[n+]1cccc2)c3ccccn3)/O; C
    C(O)=C1C=C(c2ccccn2)c3cccc[n+]13; CC(/O)
    =C/1C=C(c2ccccn2)c3cccc[n+]/13; O\C(=C2\
    C=C(c1ncccc1)c3cccc[n+]23)C; CC(=C1C=C(c
    2[n+]1cccc2)c3ccccn3)O    		 1-[1-(PYRIDIN-2-YL)INDOLIZIN-3-YL]ETHAN-1-ONE
    32864
    P9J
    CHEMBL1615165
    ZINC000043128171    		 2 C18 H15 N5 O InChI=1S/C18H15N5O/c1-12-
    11-16(21-20-12)19-17-14-9
    -5-6-10-15(14)18(24)23(22
    -17)13-7-3-2-4-8-13/h2-11
    H,1H3,(H2,19,20,21,22);
    DSDIWWSXOOXFSI-UHFFFAOYSA-N    		 Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2cccc3)c4ccc
    cc4; O=C3N(N=C(Nc1nnc(c1)C)c2ccccc23)c4c
    cccc4; Cc1[nH]nc(NC2=NN(c3ccccc3)C(=O)c4
    ccccc24)c1    		 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2H)-one
    32865
    P9K    		 4 C22 H19 F3 N6 O3 S InChI=1S/C22H19F3N6O3S/c1
    -31(35(2,33)34)18-6-4-3-5
    -13(18)11-26-20-16(22(23,
    24)25)12-27-21(30-20)28-1
    5-7-8-17-14(9-15)10-19(32
    )29-17/h3-9,11-12H,10H2,1
    -2H3,(H,29,32)(H,27,28,30
    )/b26-11+;
    MONLGZGTNBTOCO-KBKYJPHKSA-N    		 CN(c1ccccc1/C=N/c2c(cnc(n2)Nc3ccc4c(c3)C
    C(=O)N4)C(F)(F)F)S(=O)(=O)C; CN(c1ccccc1
    C=Nc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)
    [S](C)(=O)=O; CN(c1ccccc1C=Nc2c(cnc(n2)N
    c3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C    		 N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide
    32866
    P9L
    CHEMBL1950957
    ZINC000001422669    		 1 C14 H19 N3 O4 S InChI=1S/C14H19N3O4S/c1-1
    5-10-11-9-12(3-4-13(11)16
    (2)14(15)18)22(19,20)17-5
    -7-21-8-6-17/h3-4,9H,5-8,
    10H2,1-2H3;
    LFBDSGLXLXJATE-UHFFFAOYSA-N    		 CN1Cc2cc(ccc2N(C1=O)C)S(=O)(=O)N3CCOCC3;
    CN1Cc2cc(ccc2N(C)C1=O)[S](=O)(=O)N3CCOC
    C3; O=S(=O)(N1CCOCC1)c3cc2c(N(C(=O)N(C)C
    2)C)cc3    		 1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one
    32867
    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
    32868
    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
    32869
    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
    32870
    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
    32871
    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
    32872
    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
    32873
    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
    32874
    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
    32875
    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
    32876
    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
    32877
    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
    32878
    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
    32879
    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
    32880
    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
    32881
    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)
    32882
    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)
    32883
    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)
    32884
    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
    32885
    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
    32886
    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
    32887
    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
    32888
    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
    32889
    PAB
    CHEMBL542
    DB02362
    ZINC000000000920    		 61 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
    32890
    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
    32891
    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
    32892
    PAE
    CHEMBL50300
    DB02823
    ZINC000003869741    		 92 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
    32893
    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
    32894
    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
    32895
    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
    32896
    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
    32897
    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
    32898
    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
    32899
    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
    32900
    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
    32901
    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
    32902
    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
    32903
    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
    32904
    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
    32905
    PAR
    CHEMBL370143
    DB01421
    ZINC000060183170    		 36 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
    32906
    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
    32907
    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
    32908
    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
    32909
    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
    32910
    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
    32911
    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
    32912
    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
    32913
    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
    32914
    PB    		 35 Pb InChI=1S/Pb/q+2;
    RVPVRDXYQKGNMQ-UHFFFAOYSA-N    		 [Pb++]; valence; [Pb+2] LEAD (II) ION
    32915
    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
    32916
    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
    32917
    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
    32918
    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)
    32919
    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)
    32920
    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]
    32921
    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
    32922
    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
    32923
    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
    32924
    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
    32925
    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
    32926
    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
    32927
    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
    32928
    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
    32929
    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
    32930
    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
    32931
    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
    32932
    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
    32933
    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
    32934
    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
    32935
    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
    32936
    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
    32937
    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
    32938
    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
    32939
    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
    32940
    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
    32941
    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
    32942
    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
    32943
    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
    32944
    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
    32945
    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
    32946
    PBW    		 14 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
    32947
    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
    32948
    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
    32949
    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
    32950
    PC
    CHEMBL1235161
    DB03945
    ZINC000001532692    		 115 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
    32951
    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
    32952
    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
    32953
    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
    32954
    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)
    32955
    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)
    32956
    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
    32957
    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
    32958
    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
    32959
    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
    32960
    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
    32961
    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
    32962
    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
    32963
    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
    32964
    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
    32965
    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
    32966
    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
    32967
    PCG
    CHEMBL395336
    DB02315
    ZINC000004095501    		 163 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
    32968
    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
    32969
    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
    32970
    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
    32971
    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
    32972
    PCL    		 1 Cl2 Pt InChI=1S/2ClH.Pt/h2*1H;/q
    ;;+2/p-2;
    CLSUSRZJUQMOHH-UHFFFAOYSA-L    		 Cl[Pt]Cl PLATINUM(II) DI-CHLORIDE
    32973
    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
    32974
    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
    32975
    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
    32976
    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
    32977
    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
    32978
    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
    32979
    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
    32980
    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
    32981
    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
    32982
    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
    32983
    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
    32984
    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
    32985
    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
    32986
    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
    32987
    PD    		 6 Pd InChI=1S/Pd/q+2;
    MUJIDPITZJWBSW-UHFFFAOYSA-N    		 [Pd++]; [Pd+2] PALLADIUM ION
    32988
    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
    32989
    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
    32990
    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
    32991
    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
    32992
    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
    32993
    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
    32994
    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
    32995
    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
    32996
    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
    32997
    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
    32998
    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
    32999
    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
    33000
    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
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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