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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
    31601
    OY3    		 2 C17 H18 Br N2 O7 P InChI=1S/C17H18BrN2O7P/c1
    -10-16(21)14(12(7-19-10)9
    -27-28(24,25)26)8-20-15(1
    7(22)23)6-11-3-2-4-13(18)
    5-11/h2-5,7-8,19,21H,6,9H
    2,1H3,(H,22,23)(H2,24,25,
    26)/b14-8-,20-15+;
    QODYJTOPURJJAH-MTTBYZIPSA-N    		 CC1=C(/C(=C\[NH+]=C(/Cc2cccc(c2)Br)\C(=O
    )O)/C(=CN1)COP(=O)(O)O)[O-]; CC1=C([O-])
    C(=C[NH+]=C(Cc2cccc(Br)c2)C(O)=O)C(=CN1)
    CO[P](O)(O)=O; CC1=C([O-])\C(=C/[NH+]=C(
    Cc2cccc(Br)c2)C(O)=O)C(=CN1)CO[P](O)(O)=
    O; CC1=C(C(=C[NH+]=C(Cc2cccc(c2)Br)C(=O)
    O)C(=CN1)COP(=O)(O)O)[O-]; O=C(O)C(\Cc1c
    ccc(Br)c1)=[NH+]\C=C1/C([O-])=C(C)NC=C1C
    OP(=O)(O)O    		 (4Z)-4-({[(1E)-2-(3-bromophenyl)-1-carboxyethylidene]azaniumyl}methylidene)-2-methyl-5-[(phosphonooxy)methyl]-1,4-dihydropyridin-3-olate
    31602
    OY4
    CHEMBL4584522    		 2 C15 H16 F N5 O3 S InChI=1S/C15H16FN5O3S/c1-
    8(22)17-4-5-25-15-13(20-2
    4-21-15)14(19-23)18-12-6-
    9-2-3-10(16)7-11(9)12/h2-
    3,7,12,23H,4-6H2,1H3,(H,1
    7,22)(H,18,19)/t12-/m0/s1;
    IWTLWDCOKRYTFP-LBPRGKRZSA-N    		 CC(=O)NCCSc1nonc1C(N[CH]2Cc3ccc(F)cc23)=
    NO; CC(=O)NCCSc1c(non1)/C(=N/O)/N[C@H]2C
    c3c2cc(cc3)F; CC(=O)NCCSc1c(non1)C(=NO)N
    C2Cc3c2cc(cc3)F; CC(=O)NCCSc1nonc1/C(N[C
    @H]2Cc3ccc(F)cc23)=N/O; c2(ccc1CC(c1c2)N
    C(=N/O)\c3nonc3SCCNC(C)=O)F    		 N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide
    31603
    OY5    		 1 C8 H12 B18 Co N2 O4 S2 InChI=1S/2C4H6B9NO2S.Co/c
    2*14-17(15,16)2-1-4-3-5-7
    -6(4)10(4)8(3,4)9(3,5)11(
    5,7)12(6,7,10)13(8,9,10)1
    1;/h2*1-2H2,(H2,14,15,16)
    ;/q;;+6;
    ZFLDGVQOTLFANW-UHFFFAOYSA-N    		 B1234B567B189B212B33%10B454B656B787B911[
    C+2]232([C+]4%105[Co]76121234B567B118B55
    9B66%10B272B667B%1055B911B565[C+]318[C+2
    ]4752CCS(=O)(=O)N)CCS(=O)(=O)N; N[S](=O)
    (=O)CC[C++]123[C+]45[B]678[B]149[B]6%10%
    11[B]7%12%13[B]58%14[B]%12%15%16[B]%10%1
    3%17[B]29%11[B]3%15%17[Co]%14%16%18%19[B
    ]%20%21%22[C+]%23%24[B]%20%25%26[B]%23%2
    7%28[B]%25%29%30[B]%21%26%31[B]%29%32%33
    [B]%27%30%34[B]%18%32([B]%19%22%31%33)[C
    ++]%24%28%34CC[S](N)(=O)=O    		 CA IX mimic
    31604
    OY6    		 2 C30 H27 N5 O4 S InChI=1S/C30H27N5O4S/c1-3
    9-26-11-5-4-10-25(26)33-2
    8(36)20-12-14-21(15-13-20
    )31-30(38)35(19-22-7-6-18
    -40-22)17-16-27-32-24-9-3
    -2-8-23(24)29(37)34-27/h2
    -15,18H,16-17,19H2,1H3,(H
    ,31,38)(H,33,36)(H,32,34,
    37);
    CHCNDJNLIDGUFS-UHFFFAOYSA-N    		 COc1ccccc1NC(=O)c2ccc(cc2)NC(=O)N(CCC3=N
    c4ccccc4C(=O)N3)Cc5cccs5; COc1ccccc1NC(=
    O)c2ccc(NC(=O)N(CCC3=Nc4ccccc4C(=O)N3)Cc
    5sccc5)cc2    		 ~{N}-(2-methoxyphenyl)-4-[[2-(4-oxidanylidene-3~{H}-quinazolin-2-yl)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]benzamide
    31605
    OY7    		 1 C8 H9 B O3 InChI=1S/C8H9BO3/c1-6(10)
    7-2-4-8(5-3-7)9(11)12/h2-
    5,11-12H,1H3;
    OBQRODBYVNIZJU-UHFFFAOYSA-N    		 CC(=O)c1ccc(cc1)B(O)O; B(c1ccc(cc1)C(=O)
    C)(O)O    		 (4-ethanoylphenyl)boronic acid;
    4-Acetylphenylboronic acid
    31606
    OY8    		 1 C8 H12 B18 Co N2 O4 S2 InChI=1S/2C4H6B9NO2S.Co/c
    2*14-17(15,16)2-1-4-3-5-7
    -6(4)10(4)8(3,4)9(3,5)11(
    5,7)12(6,7,10)13(8,9,10)1
    1;/h2*1-2H2,(H2,14,15,16)
    ;/q;;+6;
    ZFLDGVQOTLFANW-UHFFFAOYSA-N    		 B1234B567B189B212B33%10B454B656B787B911[
    C+2]232([C+]4%105[Co]76121234B567B118B55
    9B66%10B272B667B%1055B911B565[C+]318[C+2
    ]4752CCS(=O)(=O)N)CCS(=O)(=O)N; N[S](=O)
    (=O)CC[C++]123[C+]45[B]678[B]149[B]6%10%
    11[B]7%12%13[B]58%14[B]%12%15%16[B]%10%1
    3%17[B]29%11[B]3%15%17[Co]%14%16%18%19[B
    ]%20%21%22[C+]%23%24[B]%20%25%26[B]%23%2
    7%28[B]%25%29%30[B]%21%26%31[B]%29%32%33
    [B]%27%30%34[B]%18%32([B]%19%22%31%33)[C
    ++]%24%28%34CC[S](N)(=O)=O    		 Metala-Carborane di-ethyl-sulfonamide
    31607
    OY9    		 14 C22 H19 Cl N4 O InChI=1S/C22H19ClN4O/c23-
    19-6-4-16(5-7-19)13-27-15
    -25-21-8-9-26(14-20(21)22
    (27)28)12-18-3-1-2-17(10-
    18)11-24/h1-7,10,15H,8-9,
    12-14H2;
    JNBDIOOOVLLTKQ-UHFFFAOYSA-N    		 Clc1ccc(CN2C=NC3=C(CN(CC3)Cc4cccc(c4)C#N
    )C2=O)cc1; Clc1ccc(cc1)CN1C=NC=2CCN(Cc3c
    ccc(C#N)c3)CC=2C1=O; c1cc(cc(c1)C#N)CN2C
    CC3=C(C2)C(=O)N(C=N3)Cc4ccc(cc4)Cl    		 3-({3-[(4-chlorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile
    31608
    OYA
    CHEMBL18407
    ZINC000001529222    		 8 C8 H16 O InChI=1S/C8H16O/c1-2-3-4-
    5-6-7-8-9/h8H,2-7H2,1H3;
    NUJGJRNETVAIRJ-UHFFFAOYSA-N    		 O=CCCCCCCC; CCCCCCCC=O OCTANAL;
    OCTYL ALDEHYDE
    31609
    OYB
    CHEMBL4759319    		 1 C17 H21 N7 O InChI=1S/C17H21N7O/c1-25-
    14-8-6-13(7-9-14)24-16-15
    (22-23-24)10-19-17(21-16)
    20-12-4-2-11(18)3-5-12/h6
    -12H,2-5,18H2,1H3,(H,19,2
    0,21)/t11-,12-;
    OYCSZJFCBXZCDD-HAQNSBGRSA-N    		 COc1ccc(cc1)n2nnc3cnc(N[CH]4CC[CH](N)CC4
    )nc23; COc1ccc(cc1)n2c3c(cnc(n3)NC4CCC(C
    C4)N)nn2; COc1ccc(cc1)n2nnc3cnc(N[C@H]4C
    C[C@H](N)CC4)nc23    		 ~{N}4-[3-(4-methoxyphenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]cyclohexane-1,4-diamine
    31610
    OYD    		 2 C12 H20 N4 O3 InChI=1S/C12H20N4O3/c1-2-
    6-13-9-10(14-7-4-3-5-8-17
    )15-12(19)16-11(9)18/h6,1
    7H,2-5,7-8H2,1H3,(H3,14,1
    5,16,18,19)/b13-6+;
    ZKFUQHLXTDAXLG-AWNIVKPZSA-N    		 CCC=NC1=C(NCCCCCO)NC(=O)NC1=O; CCC=NC1=C
    (NC(=O)NC1=O)NCCCCCO; CC/C=N/C1=C(NC(=O)
    NC1=O)NCCCCCO; C=1(NCCCCCO)NC(NC(C=1N=[C
    @H]CC)=O)=O    		 6-[(5-hydroxypentyl)amino]-5-[(E)-propylideneamino]pyrimidine-2,4(1H,3H)-dione
    31611
    OYE    		 2 C27 H31 N10 O18 P3 InChI=1S/C27H33N10O18P3/c
    28-26-31-20-14(22(42)33-2
    6)30-9-36(20)24-18(40)16(
    38)12(52-24)7-50-56(44,45
    )54-58(48,49)55-57(46,47)
    51-8-13-17(39)19(41)25(53
    -13)37-10-35(6-11-4-2-1-3
    -5-11)15-21(37)32-27(29)3
    4-23(15)43/h1-5,9-10,12-1
    3,16-19,24-25,38-41H,6-8H
    2,(H8-,28,29,31,32,33,34,
    42,43,44,45,46,47,48,49)/
    p-2/t12-,13-,16-,17-,18-,
    19-,24-,25-/m1/s1;
    DBIWUCQKTGTGGL-JIUDXVAXSA-L    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P]
    ([O-])(=O)O[P]([O-])(=O)O[P]([O-])(=O)OC
    [C@H]4O[C@H]([C@H](O)[C@@H]4O)n5c[n+](Cc
    6ccccc6)c7C(=O)N=C(N)Nc57)[C@@H](O)[C@H]
    3O; c1ccc(cc1)C[n+]2cn(c3c2C(=O)N=C(N3)N
    )C4C(C(C(O4)COP(=O)([O-])OP(=O)([O-])OP(
    =O)([O-])OCC5C(C(C(O5)n6cnc7c6N=C(NC7=O)
    N)O)O)O)O; c1ccc(cc1)C[n+]2cn(c3c2C(=O)N
    =C(N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP
    (=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@
    H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6N=C(NC7
    =O)N)O)O)O)O; NC1=Nc2n(cnc2C(=O)N1)[CH]3
    O[CH](CO[P]([O-])(=O)O[P]([O-])(=O)O[P](
    [O-])(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5c[
    n+](Cc6ccccc6)c7C(=O)N=C(N)Nc57)[CH](O)[
    CH]3O    		 bn7GpppG mRNA 5' cap analog;
    [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
    31612
    OYF    		 3 C18 H14 Cl N3 O2 InChI=1S/C18H14ClN3O2/c19
    -12-1-2-17-15(7-12)14(4-6
    -24-17)18(23)22-16-10-21-
    9-11-8-20-5-3-13(11)16/h1
    -3,5,7-10,14H,4,6H2,(H,22
    ,23)/t14-/m1/s1;
    KCXBRLJFVUQUIR-CQSZACIVSA-N    		 Clc1ccc2OCC[C@@H](C(=O)Nc3cncc4cnccc34)c
    2c1; Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2cncc
    c21; c1cc2c(cc1Cl)[C@@H](CCO2)C(=O)Nc3cn
    cc4c3ccnc4; c1cc2c(cc1Cl)C(CCO2)C(=O)Nc3
    cncc4c3ccnc4; Clc1ccc2OCC[CH](C(=O)Nc3cn
    cc4cnccc34)c2c1    		 (4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    31613
    OYG    		 2 C9 H10 N2 O3 InChI=1S/C9H10N2O3/c1-5(1
    2)3-4-7-6(2)10-9(14)11-8(
    7)13/h3-4H,1-2H3,(H2,10,1
    1,13,14)/b4-3+;
    BUVNCCASAGRUIE-ONEGZZNKSA-N    		 CC(=O)/C=C/C1=C(C)NC(=O)NC1=O; N1C(NC(C(
    [C@H]=[C@H]C(C)=O)=C1C)=O)=O; CC1=C(C(=O
    )NC(=O)N1)/C=C/C(=O)C; CC1=C(C(=O)NC(=O)
    N1)C=CC(=O)C; CC(=O)C=CC1=C(C)NC(=O)NC1=
    O    		 6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione
    31614
    OYH    		 2 C27 H19 N3 O4 InChI=1S/C27H19N3O4/c31-2
    6(32)21-12-11-20(16-22(21
    )27(33)34)28-25-24(18-9-5
    -2-6-10-18)29-23-15-19(13
    -14-30(23)25)17-7-3-1-4-8
    -17/h1-16,28H,(H,31,32)(H
    ,33,34);
    HYJWOPNEPKVJHA-UHFFFAOYSA-N    		 O=C(O)c1cc(ccc1C(=O)O)Nc1c(nc2cc(ccn12)c
    1ccccc1)c1ccccc1; c1ccc(cc1)c2ccn3c(c2)n
    c(c3Nc4ccc(c(c4)C(=O)O)C(=O)O)c5ccccc5;
    OC(=O)c1ccc(Nc2n3ccc(cc3nc2c4ccccc4)c5cc
    ccc5)cc1C(O)=O    		 4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid
    31615
    OYI    		 1 C11 H12 F N O2 S InChI=1S/C11H12FNO2S/c1-1
    3(4-5-16)11(15)8-2-3-9(7-
    14)10(12)6-8/h2-3,6-7,16H
    ,4-5H2,1H3;
    IDNFWLDGQTXDHK-UHFFFAOYSA-N    		 CN(CCS)C(=O)c1ccc(C=O)c(F)c1; CN(CCS)C(=
    O)c1ccc(c(c1)F)C=O    		 3-fluoranyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
    31616
    OYJ
    CHEMBL1222130
    ZINC000058590849    		 1 C24 H21 Cl F2 N4 O5 S InChI=1S/C24H21ClF2N4O5S/
    c1-37(35,36)30-12-16(23(3
    3)28-14-5-7-18(25)19(26)1
    0-14)17(13-30)24(34)29-21
    -8-6-15(11-20(21)27)31-9-
    3-2-4-22(31)32/h2-11,16-1
    7H,12-13H2,1H3,(H,28,33)(
    H,29,34)/t16-,17-/m0/s1;
    XRNMSDIWHHURFN-IRXDYDNUSA-N    		 CS(=O)(=O)[N@]1C[C@@H]([C@H](C1)C(=O)Nc2
    ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(c(c4)F
    )Cl; O=C(Nc2ccc(N1C=CC=CC1=O)cc2F)C4C(C(
    =O)Nc3ccc(Cl)c(F)c3)CN(S(=O)(=O)C)C4; CS
    (=O)(=O)N1CC(C(C1)C(=O)Nc2ccc(cc2F)N3C=C
    C=CC3=O)C(=O)Nc4ccc(c(c4)F)Cl; C[S](=O)(
    =O)N1C[CH]([CH](C1)C(=O)Nc2ccc(cc2F)N3C=
    CC=CC3=O)C(=O)Nc4ccc(Cl)c(F)c4; C[S](=O)
    (=O)N1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)
    N3C=CC=CC3=O)C(=O)Nc4ccc(Cl)c(F)c4    		 (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-3-FLUORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}
    31617
    OYK
    CHEMBL5179548
    ZINC000001680635    		 7 C7 H9 N5 InChI=1S/C7H9N5/c1-8-6-5-
    7(10-3-9-6)12(2)4-11-5/h3
    -4H,1-2H3,(H,8,9,10);
    GRDLXXJSRHDATN-UHFFFAOYSA-N    		 CNc1ncnc2n(C)cnc12; CNc1c2c(ncn1)n(cn2)C ~{N},9-dimethylpurin-6-amine
    31618
    OYL    		 0 C8 H13 N3 O2 InChI=1S/C8H13N3O2/c1-2-1
    1-4-6(10-5-11)3-7(9)8(12)
    13/h4-5,7H,2-3,9H2,1H3,(H
    ,12,13)/t7-/m0/s1;
    OAXCYOTUTFGTCJ-ZETCQYMHSA-N    		 CCn1cnc(C[CH](N)C(O)=O)c1; O=C(O)C(N)Cc1
    ncn(c1)CC; CCn1cc(nc1)CC(C(=O)O)N; CCn1c
    c(nc1)C[C@@H](C(=O)O)N; CCn1cnc(C[C@H](N
    )C(O)=O)c1    		 1-ethyl-L-histidine
    31619
    OYN
    CHEMBL446449
    ZINC000004429067    		 4 C6 H6 Cl N5 InChI=1S/C6H6ClN5/c1-8-4-
    3-5(10-2-9-3)12-6(7)11-4/
    h2H,1H3,(H2,8,9,10,11,12);
    RIAVUEFUPHOGJY-UHFFFAOYSA-N    		 CNc1c2c([nH]cn2)nc(n1)Cl; CNc1nc(Cl)nc2[
    nH]cnc12    		 2-chloranyl-~{N}-methyl-9~{H}-purin-6-amine
    31620
    OYO
    ZINC000000120392    		 4 C8 H14 O5 InChI=1S/C8H14O5/c1-8(2)1
    2-6-5(10)4(3-9)11-7(6)13-
    8/h4-7,9-10H,3H2,1-2H3/t4
    -,5-,6+,7+/m1/s1;
    JAUQZVBVVJJRKM-JWXFUTCRSA-N    		 CC1(OC2C(C(OC2O1)CO)O)C; CC1(C)O[C@@H]2O
    [C@H](CO)[C@@H](O)[C@@H]2O1; CC1(C)O[CH]
    2O[CH](CO)[CH](O)[CH]2O1; CC1(O[C@H]2[C@
    @H]([C@H](O[C@H]2O1)CO)O)C    		 (3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
    31621
    OYP
    CHEMBL144207    		 4 C23 H34 O3 InChI=1S/C23H34O3/c1-2-3-
    4-5-6-7-8-9-10-11-12-19-2
    6-20-22-15-13-21(14-16-22
    )17-18-23(24)25/h13-16H,2
    -10,17-20H2,1H3,(H,24,25);
    RYRHYCDBTFUGMI-UHFFFAOYSA-N    		 CCCCCCCCCCC#CCOCc1ccc(cc1)CCC(=O)O; CCCC
    CCCCCCC#CCOCc1ccc(CCC(O)=O)cc1; O=C(O)CC
    c1ccc(cc1)COCC#CCCCCCCCCCC    		 3-{4-[(tridec-2-yn-1-yloxy)methyl]phenyl}propanoic acid
    31622
    OYQ    		 1 C13 H20 N2 O3 S InChI=1S/C13H20N2O3S/c1-3
    -10(2)4-9-13(16)15-11-5-7
    -12(8-6-11)19(14,17)18/h5
    -8,10H,3-4,9H2,1-2H3,(H,1
    5,16)(H2,14,17,18)/t10-/m
    0/s1;
    NTFBKJBQQKWQSL-JTQLQIEISA-N    		 O=S(=O)(N)c1ccc(NC(=O)CCC(C)CC)cc1; CC[C
    H](C)CCC(=O)Nc1ccc(cc1)[S](N)(=O)=O; CC[
    C@H](C)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N; CCC
    (C)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N; CC[C@H]
    (C)CCC(=O)Nc1ccc(cc1)[S](N)(=O)=O    		 (4S)-4-methyl-N-(4-sulfamoylphenyl)hexanamide
    31623
    OYR    		 2 C41 H32 N4 O5 InChI=1S/C41H32N4O5/c46-4
    0(47)34-18-17-33(25-35(34
    )41(48)49)43-39-38(44-37-
    24-32(19-22-45(37)39)29-6
    -2-1-3-7-29)31-15-9-27(10
    -16-31)20-23-50-26-28-11-
    13-30(14-12-28)36-8-4-5-2
    1-42-36/h1-19,21-22,24-25
    ,43H,20,23,26H2,(H,46,47)
    (H,48,49);
    ZNDWCDSQYLVCOS-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccn3c(c2)nc(c3Nc4ccc(c(c4)C(
    =O)O)C(=O)O)c5ccc(cc5)CCOCc6ccc(cc6)c7cc
    ccn7; OC(=O)c1ccc(Nc2n3ccc(cc3nc2c4ccc(C
    COCc5ccc(cc5)c6ccccn6)cc4)c7ccccc7)cc1C(
    O)=O; O=C(O)c1cc(ccc1C(=O)O)Nc1c(nc2cc(c
    cn12)c1ccccc1)c1ccc(CCOCc2ccc(cc2)c2cccc
    n2)cc1    		 4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid
    31624
    OYS
    CHEMBL574782
    ZINC000000142256    		 1 C14 H14 N2 O3 S InChI=1S/C14H14N2O3S/c15-
    20(18,19)13-8-6-12(7-9-13
    )16-14(17)10-11-4-2-1-3-5
    -11/h1-9H,10H2,(H,16,17)(
    H2,15,18,19);
    JWDLYKTZCRIGNW-UHFFFAOYSA-N    		 c1ccc(cc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N; N
    [S](=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1; O=
    S(=O)(N)c2ccc(NC(=O)Cc1ccccc1)cc2    		 2-phenyl-N-(4-sulfamoylphenyl)acetamide
    31625
    OYT
    CHEMBL5170722    		 4 C9 H11 N5 InChI=1S/C9H11N5/c1-10-8-
    7-9(12-4-11-8)14(5-13-7)6
    -2-3-6/h4-6H,2-3H2,1H3,(H
    ,10,11,12);
    GSKXLJNKAAXSOE-UHFFFAOYSA-N    		 CNc1ncnc2n(cnc12)C3CC3; CNc1c2c(ncn1)n(c
    n2)C3CC3    		 9-cyclopropyl-~{N}-methyl-purin-6-amine
    31626
    OYU
    ZINC000002516270    		 4 C7 H15 N O3 InChI=1S/C7H15NO3/c1-7(2,
    3)11-6(10)8-4-5-9/h9H,4-5
    H2,1-3H3,(H,8,10);
    GPTXCAZYUMDUMN-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)NCCO ~{tert}-butyl ~{N}-(2-hydroxyethyl)carbamate
    31627
    OYV    		 2 C14 H20 N2 O7 InChI=1S/C14H20N2O7/c1-7(
    18)2-3-8-9(15-14(23)16-13
    (8)22)4-5-10(19)12(21)11(
    20)6-17/h2-3,10-12,17,19-
    21H,4-6H2,1H3,(H2,15,16,2
    2,23)/b3-2+/t10-,11+,12-/
    m0/s1;
    YIGUGMFHMVTCHU-VUGGRDAHSA-N    		 CC(=O)C=CC1=C(CC[CH](O)[CH](O)[CH](O)CO)
    NC(=O)NC1=O; CC(=O)/C=C/C1=C(CC[C@H](O)[
    C@H](O)[C@H](O)CO)NC(=O)NC1=O; CC(=O)C=C
    C1=C(NC(=O)NC1=O)CCC(C(C(CO)O)O)O; C(=O)
    ([C@H]=[C@H]C=1C(=O)NC(NC=1CCC(C(C(O)CO)
    O)O)=O)C; CC(=O)/C=C/C1=C(NC(=O)NC1=O)CC
    [C@@H]([C@@H]([C@@H](CO)O)O)O    		 1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol
    31628
    OYW    		 4 C27 H33 Cl N10 O18 P3 InChI=1S/C27H32ClN10O18P3
    /c28-11-3-1-10(2-4-11)5-3
    6-9-38(21-15(36)23(44)35-
    27(30)33-21)25-19(42)17(4
    0)13(54-25)7-52-58(47,48)
    56-59(49,50)55-57(45,46)5
    1-6-12-16(39)18(41)24(53-
    12)37-8-31-14-20(37)32-26
    (29)34-22(14)43/h1-4,8-9,
    12-13,16-19,24-25,39-42H,
    5-7H2,(H8-,29,30,32,33,34
    ,35,43,44,45,46,47,48,49,
    50)/p+1/t12?,13-,16?,17-,
    18?,19-,24?,25-/m1/s1;
    YLIRYFJCSIVXAE-AGNUKMHHSA-O    		 NC1=Nc2n(cnc2C(=O)N1)C3OC(CO[P](O)(=O)O[
    P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)
    [CH]4O)n5c[n+](Cc6ccc(Cl)cc6)c7C(=O)NC(=
    Nc57)N)C(O)C3O; c1cc(ccc1C[n+]2cn(c3c2C(
    =O)NC(=N3)N)C4C(C(C(O4)COP(=O)(O)OP(=O)(
    O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6N=C(NC7=
    O)N)O)O)O)O)Cl; c1cc(ccc1C[n+]2cn(c3c2C(
    =O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4
    )COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC5C(C(C(O
    5)n6cnc7c6N=C(NC7=O)N)O)O)O)O)Cl; NC1=Nc
    2n(cnc2C(=O)N1)C3OC(CO[P](O)(=O)O[P](O)(
    =O)O[P](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@
    @H]4O)n5c[n+](Cc6ccc(Cl)cc6)c7C(=O)NC(=N
    c57)N)C(O)C3O    		 4-Cl-Bn7GpppG mRNA 5' cap analog;
    [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(4-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
    31629
    OYX    		 3 C24 H28 N2 O S InChI=1S/C24H28N2OS/c27-2
    4(15-21-17-25-16-20-9-4-5
    -11-23(20)21)26(18-22-10-
    6-14-28-22)13-12-19-7-2-1
    -3-8-19/h4-6,9-11,14,16-1
    7,19H,1-3,7-8,12-13,15,18
    H2;
    COUGPWQMAYMVGH-UHFFFAOYSA-N    		 c1ccc2c(c1)cncc2CC(=O)N(CCC3CCCCC3)Cc4cc
    cs4; O=C(Cc1cncc2ccccc12)N(CCC3CCCCC3)Cc
    4sccc4; O=C(Cc1cncc2ccccc21)N(CCC1CCCCC1
    )Cc1cccs1    		 N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide
    31630
    OYZ    		 2 C26 H24 N4 O3 InChI=1S/C26H24N4O3/c1-3-
    33-23-7-5-4-6-19(23)17-8-
    10-18(11-9-17)24-21(14-27
    )25(29-16(2)26(31)32)20-1
    2-13-28-15-22(20)30-24/h4
    -11,13,16H,3,12,15H2,1-2H
    3,(H,29,30)(H,31,32)/t16-
    /m1/s1;
    NURQHDXPRQBOKW-MRXNPFEDSA-N    		 CCOc1ccccc1c2ccc(cc2)c3c(c(c4c(n3)CN=CC4
    )N[C@H](C)C(=O)O)C#N; CCOc1ccccc1c2ccc(c
    c2)c3nc4CN=CCc4c(N[CH](C)C(O)=O)c3C#N; C
    COc1ccccc1c2ccc(cc2)c3c(c(c4c(n3)CN=CC4)
    NC(C)C(=O)O)C#N; CCOc1ccccc1c2ccc(cc2)c3
    nc4CN=CCc4c(N[C@H](C)C(O)=O)c3C#N    		 (2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid
    31631
    OZ0    		 1 C11 H16 B N O6 S InChI=1S/C11H16BNO6S/c1-2
    -10(12(16)17)13-20(18,19)
    7-8-4-3-5-9(6-8)11(14)15/
    h3-6,10,13,16-17H,2,7H2,1
    H3,(H,14,15)/t10-/m1/s1;
    NXMDVDQWQYARKG-SNVBAGLBSA-N    		 CC[C@@H](N[S](=O)(=O)Cc1cccc(c1)C(O)=O)B
    (O)O; O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(
    O)O; CC[CH](N[S](=O)(=O)Cc1cccc(c1)C(O)=
    O)B(O)O; B(C(CC)NS(=O)(=O)Cc1cccc(c1)C(=
    O)O)(O)O; B([C@@H](CC)NS(=O)(=O)Cc1cccc(
    c1)C(=O)O)(O)O    		 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid
    31632
    OZ1
    CHEMBL5287175    		 3 C22 H24 F2 N4 O4 InChI=1S/C22H24F2N4O4/c23
    -15-7-6-14(17(24)10-15)12
    -27-21(30)18-19(25)16-9-1
    3(5-3-1-2-4-8-29)11-26-20
    (16)28(32)22(18)31/h6-7,9
    -11,29,32H,1-5,8,12,25H2,
    (H,27,30);
    YZHRHLDMVJVVOL-UHFFFAOYSA-N    		 NC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3ncc
    (CCCCCCO)cc13; c1cc(c(cc1F)F)CNC(=O)C2=C
    (c3cc(cnc3N(C2=O)O)CCCCCCO)N; c3cc(CNC(=
    O)C2=C(N)c1cc(CCCCCCO)cnc1N(C2=O)O)c(F)c
    c3F    		 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
    31633
    OZ2
    ZINC000058650962    		 4 C37 H69 O10 P InChI=1S/C37H69O10P/c1-3-
    5-7-9-11-13-15-16-17-18-1
    9-21-22-24-26-28-36(40)44
    -32-35(33-46-48(42,43)45-
    31-34(39)30-38)47-37(41)2
    9-27-25-23-20-14-12-10-8-
    6-4-2/h14,16-17,20,34-35,
    38-39H,3-13,15,18-19,21-3
    3H2,1-2H3,(H,42,43)/b17-1
    6-,20-14-/t34-,35+/m0/s1;
    YOPHQENQMRACBJ-BMAOJOIDSA-N    		 CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=
    O)OC[CH](O)CO)OC(=O)CCCCC=CCCCCCC; CCCCC
    CCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)
    OC[C@@H](O)CO)OC(=O)CCCC\C=C/CCCCCC; CCC
    CCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO
    )O)OC(=O)CCCCC=CCCCCCC; CCCCCCCC/C=C\CCC
    CCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO
    )O)OC(=O)CCCC/C=C\CCCCCC; O=C(OC(COP(=O)
    (OCC(O)CO)O)COC(=O)CCCCCCC\C=C/CCCCCCCC)
    CCCC\C=C/CCCCCC    		 (2R)-3-{[(R)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6Z)-tridec-6-enoyloxy]propyl (9Z)-octadec-9-enoate
    31634
    OZ3    		 0 C9 H12 N3 InChI=1S/C9H11N3/c10-4-6-
    1-2-8-7(3-6)5-12-9(8)11/h
    1-3H,4-5,10H2,(H2,11,12)/
    p+1;
    WGTMTZNANKWNAF-UHFFFAOYSA-O    		 c1cc2c(cc1CN)C[NH+]=C2N; NCc1ccc2C(=[NH+
    ]Cc2c1)N    		 5-(aminomethyl)-3~{H}-isoindol-2-ium-1-amine
    31635
    OZ4    		 1 C27 H33 N3 O2 InChI=1S/C27H33N3O2/c1-15
    -9-11-30-14-26-12-18-16-6
    -7-19-17(8-10-24(2,3)32-1
    9)21(16)28-22(18)25(4,5)2
    0(26)13-27(15,30)23(31)29
    -26/h6-8,10,15,20,28H,9,1
    1-14H2,1-5H3,(H,29,31)/t1
    5-,20-,26+,27+/m0/s1;
    NZXZONUAPKPCQR-CVXXBLRVSA-N    		 C421C(C)CCN1CC3(NC2=O)Cc5c(C(C3C4)(C)C)n
    c6c5ccc7OC(C=Cc67)(C)C; C[C@H]1CCN2[C@]1
    3C[C@@H]4[C@](C2)(Cc5c6ccc7c(c6[nH]c5C4(
    C)C)C=CC(O7)(C)C)NC3=O; C[C@H]1CCN2C[C@]
    34Cc5c([nH]c6c5ccc7OC(C)(C)C=Cc67)C(C)(C
    )[C@@H]3C[C@]12C(=O)N4; CC1CCN2C13CC4C(c
    5c(c6ccc7c(c6[nH]5)C=CC(O7)(C)C)CC4(C2)N
    C3=O)(C)C; C[CH]1CCN2C[C]34Cc5c([nH]c6c5
    ccc7OC(C)(C)C=Cc67)C(C)(C)[CH]3C[C]12C(=
    O)N4    		 (7aS,12S,12aR,13aS)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8H,10H-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one
    31636
    OZ5
    CHEMBL4802045    		 2 C26 H21 F N4 O2 InChI=1S/C26H21FN4O2/c1-3
    -21(26(32)33)30-25-19-11-
    12-29-14-22(19)31-24(20(2
    5)13-28)17-9-7-16(8-10-17
    )18-6-4-5-15(2)23(18)27/h
    4-12,14,21H,3H2,1-2H3,(H,
    30,31)(H,32,33)/t21-/m1/s
    1;
    DVIVLYHDLNAXAT-OAQYLSRUSA-N    		 CC[C@H](C(=O)O)Nc1c2ccncc2nc(c1C#N)c3ccc
    (cc3)c4cccc(c4F)C; CC[C@@H](Nc1c2ccncc2n
    c(c3ccc(cc3)c4cccc(C)c4F)c1C#N)C(O)=O; C
    C[CH](Nc1c2ccncc2nc(c3ccc(cc3)c4cccc(C)c
    4F)c1C#N)C(O)=O; CCC(C(=O)O)Nc1c2ccncc2n
    c(c1C#N)c3ccc(cc3)c4cccc(c4F)C    		 (2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid
    31637
    OZ6
    CHEMBL5196043    		 1 C26 H43 N5 O5 InChI=1S/C26H43N5O5/c1-24
    (2,3)19(29-23(36)30-25(4,
    5)6)22(35)31-12-16-17(26(
    16,7)8)18(31)21(34)28-15(
    13-32)11-14-9-10-27-20(14
    )33/h13-19H,9-12H2,1-8H3,
    (H,27,33)(H,28,34)(H2,29,
    30,36)/t14-,15-,16-,17-,1
    8-,19+/m0/s1;
    CWUQSFBFZRKOOX-KOUJMVCDSA-N    		 CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H
    ]([C@H]1C(=O)N[C@@H](C[C@@H]3CCNC3=O)C=O
    )C2(C)C)C(C)(C)C; CC1([C@@H]2[C@H]1[C@H]
    (N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)
    C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C=O)C; CC
    (C)(C)NC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH]
    1C(=O)N[CH](C[CH]3CCNC3=O)C=O)C2(C)C)C(C
    )(C)C; CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC
    (=O)NC(C)(C)C)C(=O)NC(CC3CCNC3=O)C=O)C    		 (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
    31638
    OZ7    		 1 C27 H33 N3 O3 InChI=1S/C27H33N3O3/c1-15
    -8-10-30-14-26-12-17-16-6
    -7-18-21(32-11-9-24(2,3)3
    3-18)20(16)28-22(17)25(4,
    5)19(26)13-27(15,30)23(31
    )29-26/h6-7,9,11,15,19,28
    H,8,10,12-14H2,1-5H3,(H,2
    9,31)/t15-,19-,26+,27+/m0
    /s1;
    CHODRHYJOPXZLV-ZYHIPPEZSA-N    		 C[CH]1CCN2C[C]34Cc5c([nH]c6c7OC=CC(C)(C)
    Oc7ccc56)C(C)(C)[CH]3C[C]12C(=O)N4; CC1C
    CN2C13CC4C(c5c(c6ccc7c(c6[nH]5)OC=CC(O7)
    (C)C)CC4(C2)NC3=O)(C)C; C[C@H]1CCN2C[C@]
    34Cc5c([nH]c6c7OC=CC(C)(C)Oc7ccc56)C(C)(
    C)[C@@H]3C[C@]12C(=O)N4; C127C(CCN1CC6(N
    C2=O)Cc5c3c(c4OC=CC(C)(C)Oc4cc3)nc5C(C)(
    C)C6C7)C; C[C@H]1CCN2[C@]13C[C@@H]4[C@](
    C2)(Cc5c6ccc7c(c6[nH]c5C4(C)C)OC=CC(O7)(
    C)C)NC3=O    		 (8aS,13S,13aR,14aS)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4H,8H,9H,11H-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one
    31639
    OZ8
    CHEMBL4873212    		 1 C20 H25 N3 O2 InChI=1S/C20H25N3O2/c24-2
    0-15-18(22-9-11-25-12-10-
    22)14-19(21-20)23-8-4-7-1
    7(23)13-16-5-2-1-3-6-16/h
    1-3,5-6,14-15,17H,4,7-13H
    2,(H,21,24)/t17-/m1/s1;
    NUUYFIBMHLLMSL-QGZVFWFLSA-N    		 c1ccc(cc1)CC2CCCN2C3=CC(=CC(=O)N3)N4CCOC
    C4; O=C1NC(=CC(=C1)N2CCOCC2)N3CCC[CH]3Cc
    4ccccc4; c1ccc(cc1)C[C@H]2CCCN2C3=CC(=CC
    (=O)N3)N4CCOCC4; O=C1NC(=CC(=C1)N2CCOCC2
    )N3CCC[C@@H]3Cc4ccccc4    		 4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one
    31640
    OZ9    		 1 C11 H16 B N O6 S InChI=1S/C11H16BNO6S/c1-2
    -10(12(16)17)13-20(18,19)
    7-8-4-3-5-9(6-8)11(14)15/
    h3-6,10,13,16-17H,2,7H2,1
    H3,(H,14,15)/t10-/m0/s1;
    NXMDVDQWQYARKG-JTQLQIEISA-N    		 O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)O; B
    ([C@H](CC)NS(=O)(=O)Cc1cccc(c1)C(=O)O)(O
    )O; CC[CH](N[S](=O)(=O)Cc1cccc(c1)C(O)=O
    )B(O)O; CC[C@H](N[S](=O)(=O)Cc1cccc(c1)C
    (O)=O)B(O)O; B(C(CC)NS(=O)(=O)Cc1cccc(c1
    )C(=O)O)(O)O    		 3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid
    31641
    OZA    		 1 C21 H24 Br N3 O InChI=1S/C21H24BrN3O/c1-1
    9(2)16-10-21-6-3-7-25(21)
    11-20(16,24-18(21)26)9-14
    -13-5-4-12(22)8-15(13)23-
    17(14)19/h4-5,8,16,23H,3,
    6-7,9-11H2,1-2H3,(H,24,26
    )/t16-,20+,21-/m0/s1;
    LMABZAWQQDGLLN-DQLDELGASA-N    		 CC1(C)[C@@H]2C[C@]34CCCN3C[C@@]2(Cc5c6cc
    c(Br)cc6[nH]c15)NC4=O; C314NC(C2(CCCN2C1
    )CC3C(c5c(C4)c6c(n5)cc(cc6)Br)(C)C)=O; C
    C1(c2c(c3ccc(cc3[nH]2)Br)CC45C1CC6(CCCN6
    C4)C(=O)N5)C; CC1(C)[CH]2C[C]34CCCN3C[C]
    2(Cc5c6ccc(Br)cc6[nH]c15)NC4=O; CC1(c2c(
    c3ccc(cc3[nH]2)Br)C[C@]45[C@H]1C[C@@]6(C
    CCN6C4)C(=O)N5)C    		 (5aS,12aS,13aS)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
    31642
    OZB    		 1 C24 H34 F N5 O4 S2 InChI=1S/C24H34FN5O4S2/c1
    -22(2,3)17(29-21(34)23(25
    )5-6-23)20(33)30-13-24(35
    -8-9-36-24)11-16(30)19(32
    )28-15(12-26)10-14-4-7-27
    -18(14)31/h14-17H,4-11,13
    H2,1-3H3,(H,27,31)(H,28,3
    2)(H,29,34)/t14-,15-,16-,
    17+/m0/s1;
    RIKAUFAETQRQJH-LUKYLMHMSA-N    		 CC(C)(C)[C@@H](C(=O)N1CC2(C[C@H]1C(=O)N[
    C@@H](C[C@@H]3CCNC3=O)C#N)SCCS2)NC(=O)C4
    (CC4)F; CC(C)(C)C(C(=O)N1CC2(CC1C(=O)NC(
    CC3CCNC3=O)C#N)SCCS2)NC(=O)C4(CC4)F; CC(
    C)(C)[CH](NC(=O)C1(F)CC1)C(=O)N2CC3(C[CH
    ]2C(=O)N[CH](C[CH]4CCNC4=O)C#N)SCCS3; CC
    (C)(C)[C@H](NC(=O)C1(F)CC1)C(=O)N2CC3(C[
    C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)C#N)SC
    CS3    		 (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2S)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
    31643
    OZC    		 3 C20 H17 Cl N2 O InChI=1S/C20H17ClN2O/c21-
    16-9-7-14(8-10-16)18-6-3-
    11-23(20(18)24)19-13-22-1
    2-15-4-1-2-5-17(15)19/h1-
    2,4-5,7-10,12-13,18H,3,6,
    11H2/t18-/m0/s1;
    SHKWJYBWRXZSMY-SFHVURJKSA-N    		 Clc1ccc(cc1)C1CCCN(c2cncc3ccccc23)C1=O;
    c1ccc2c(c1)cncc2N3CCC[C@H](C3=O)c4ccc(cc
    4)Cl; c1ccc2c(c1)cncc2N3CCCC(C3=O)c4ccc(
    cc4)Cl; Clc1ccc(cc1)[CH]2CCCN(C2=O)c3cnc
    c4ccccc34; Clc1ccc(cc1)[C@@H]2CCCN(C2=O)
    c3cncc4ccccc34    		 (3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one
    31644
    OZD    		 2 C9 H12 N4 O4 InChI=1S/C9H12N4O4/c1-5(1
    5)4-11-6-7(10-2-3-14)12-9
    (17)13-8(6)16/h4,14H,2-3H
    2,1H3,(H3,10,12,13,16,17)
    /b11-4+;
    HVWXIWYEXZLAAS-NYYWCZLTSA-N    		 CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCO; CC(=O)
    C=NC1=C(NCCO)NC(=O)NC1=O; C(CO)NC=1NC(=O
    )NC(C=1\N=C\C(C)=O)=O; CC(=O)C=NC1=C(NC(
    =O)NC1=O)NCCO    		 6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione
    31645
    OZE    		 1 C24 H32 N3 O7 P InChI=1S/C24H32N3O7P/c1-1
    7(2)13-20(23(29)30)26-21(
    28)15-25-35(32,33)22(14-1
    8-9-5-3-6-10-18)27-24(31)
    34-16-19-11-7-4-8-12-19/h
    3-12,17,20,22H,13-16H2,1-
    2H3,(H,26,28)(H,27,31)(H,
    29,30)(H2,25,32,33)/t20-,
    22+/m0/s1;
    YJSHTZYDPJRJOL-RBBKRZOGSA-N    		 CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)([C@H](
    Cc1ccccc1)NC(=O)OCc2ccccc2)O; CC(C)CC(C(
    =O)O)NC(=O)CNP(=O)(C(Cc1ccccc1)NC(=O)OCc
    2ccccc2)O; CC(C)C[CH](NC(=O)CN[P](O)(=O)
    [CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(O)=O;
    CC(C)C[C@H](NC(=O)CN[P](O)(=O)[C@H](Cc1c
    cccc1)NC(=O)OCc2ccccc2)C(O)=O    		 (((R)-1-(((benzyloxy)carbonyl)amino)-2-phenylethyl)oxidophosphoryl)glycyl-L-leucinate;
    (2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{R})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]p entanoic acid
    31646
    OZF    		 2 C11 H17 B N O9 P S InChI=1S/C11H17BNO9PS/c1-
    2-10(12(16)22-23(17,18)19
    )13-24(20,21)7-8-4-3-5-9(
    6-8)11(14)15/h3-6,10,13,1
    6H,2,7H2,1H3,(H,14,15)(H2
    ,17,18,19)/t10-/m1/s1;
    OKRPHJKYNCLTSY-SNVBAGLBSA-N    		 B(C(CC)NS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)OP
    (=O)(O)O; B([C@@H](CC)NS(=O)(=O)Cc1cccc(
    c1)C(=O)O)(O)OP(=O)(O)O; O=S(=O)(Cc1cccc
    (c1)C(=O)O)NC(CC)B(O)OP(=O)(O)O; CC[CH](
    N[S](=O)(=O)Cc1cccc(c1)C(O)=O)B(O)O[P](O
    )(O)=O; CC[C@@H](N[S](=O)(=O)Cc1cccc(c1)
    C(O)=O)B(O)O[P](O)(O)=O    		 3-[(4S)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid
    31647
    OZG    		 1 C17 H14 O5 InChI=1S/C17H14O5/c1-20-1
    2-3-2-4-13(8-12)22-14-5-6
    -15-11(7-17(18)19)10-21-1
    6(15)9-14/h2-6,8-10H,7H2,
    1H3,(H,18,19);
    UOSYUXUYPKFRGA-UHFFFAOYSA-N    		 c2c(cc1c(c(CC(O)=O)co1)c2)Oc3cc(OC)ccc3;
    COc1cccc(Oc2ccc3c(CC(O)=O)coc3c2)c1; CO
    c1cccc(c1)Oc2ccc3c(c2)occ3CC(=O)O    		 [6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid
    31648
    OZH    		 1 C24 H32 N3 O7 P InChI=1S/C24H32N3O7P/c1-1
    7(2)13-20(23(29)30)26-21(
    28)15-25-35(32,33)22(14-1
    8-9-5-3-6-10-18)27-24(31)
    34-16-19-11-7-4-8-12-19/h
    3-12,17,20,22H,13-16H2,1-
    2H3,(H,26,28)(H,27,31)(H,
    29,30)(H2,25,32,33)/t20-,
    22-/m0/s1;
    YJSHTZYDPJRJOL-UNMCSNQZSA-N    		 CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)([C@@H]
    (Cc1ccccc1)NC(=O)OCc2ccccc2)O; CC(C)CC(C
    (=O)O)NC(=O)CNP(=O)(C(Cc1ccccc1)NC(=O)OC
    c2ccccc2)O; CC(C)C[C@H](NC(=O)CN[P](O)(=
    O)[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)C(O)
    =O; CC(C)C[CH](NC(=O)CN[P](O)(=O)[CH](Cc
    1ccccc1)NC(=O)OCc2ccccc2)C(O)=O    		 (2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid
    31649
    OZI
    CHEMBL5206532    		 2 C18 H18 Cl3 N3 O2 S InChI=1S/C18H18Cl3N3O2S/c
    19-9-17(25)23-5-6-24(12-3
    -4-14(20)15(21)8-12)16(11
    -23)18(26)22-10-13-2-1-7-
    27-13/h1-4,7-8,16H,5-6,9-
    11H2,(H,22,26)/t16-/m0/s1;
    DBKURSLDNAKNLU-INIZCTEOSA-N    		 c1cc(sc1)CNC(=O)[C@@H]2CN(CCN2c3ccc(c(c3
    )Cl)Cl)C(=O)CCl; c1cc(sc1)CNC(=O)C2CN(CC
    N2c3ccc(c(c3)Cl)Cl)C(=O)CCl; ClCC(=O)N1C
    CN([CH](C1)C(=O)NCc2sccc2)c3ccc(Cl)c(Cl)
    c3; ClCC(=O)N1CCN([C@@H](C1)C(=O)NCc2scc
    c2)c3ccc(Cl)c(Cl)c3    		 (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
    31650
    OZJ
    CHEMBL3318211
    ZINC000263620479    		 4 C14 H10 N6 O InChI=1S/C14H10N6O/c15-5-
    9-10-12(16)19-14(17)20-13
    (10)18-11(9)8-3-1-2-7(4-8
    )6-21/h1-4,6H,(H5,16,17,1
    8,19,20);
    GUABVUFADFGUJA-UHFFFAOYSA-N    		 c1cc(cc(c1)c2c(c3c(nc(nc3[nH]2)N)N)C#N)C
    =O; Nc1nc(N)c2c([nH]c(c3cccc(C=O)c3)c2C#
    N)n1; O=Cc3cccc(c2c(C#N)c1c(nc(nc1n2)N)N
    )c3    		 2,4-diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
    31651
    OZK
    CHEMBL23887
    ZINC000028261560    		 1 C28 H29 N7 O3 InChI=1S/C28H29N7O3/c1-28
    (2,29)15-25(36)30-22-17-3
    8-24-10-6-5-9-23(24)35(27
    (22)37)16-18-11-13-19(14-
    12-18)20-7-3-4-8-21(20)26
    -31-33-34-32-26/h3-14,22H
    ,15-17,29H2,1-2H3,(H,30,3
    6)(H,31,32,33,34)/t22-/m1
    /s1;
    PJFIRCYASUNIFO-JOCHJYFZSA-N    		 CC(C)(N)CC(=O)N[CH]1COc2ccccc2N(Cc3ccc(c
    c3)c4ccccc4c5[nH]nnn5)C1=O; CC(C)(N)CC(=
    O)N[C@@H]1COc2ccccc2N(Cc3ccc(cc3)c4ccccc
    4c5[nH]nnn5)C1=O; CC(C)(CC(=O)N[C@@H]1CO
    c2ccccc2N(C1=O)Cc3ccc(cc3)c4ccccc4c5[nH]
    nnn5)N; CC(C)(CC(=O)NC1COc2ccccc2N(C1=O)
    Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)N    		 3-azanyl-3-methyl-~{N}-[(3~{R})-4-oxidanylidene-5-[[4-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide
    31652
    OZL    		 2 C25 H40 N6 O4 S2 InChI=1S/C25H40N6O4S2/c1-
    23(2,3)18(29-22(35)30-24(
    4,5)6)21(34)31-14-25(36-9
    -10-37-25)12-17(31)20(33)
    28-16(13-26)11-15-7-8-27-
    19(15)32/h15-18H,7-12,14H
    2,1-6H3,(H,27,32)(H,28,33
    )(H2,29,30,35)/t15-,16-,1
    7-,18+/m0/s1;
    BLRKRWSWARPDLL-XLAORIBOSA-N    		 CC(C)(C)C(C(=O)N1CC2(CC1C(=O)NC(CC3CCNC3
    =O)C#N)SCCS2)NC(=O)NC(C)(C)C; CC(C)(C)[C
    @@H](C(=O)N1CC2(C[C@H]1C(=O)N[C@@H](C[C@
    @H]3CCNC3=O)C#N)SCCS2)NC(=O)NC(C)(C)C; C
    C(C)(C)NC(=O)N[C@H](C(=O)N1CC2(C[C@H]1C(
    =O)N[C@@H](C[C@@H]3CCNC3=O)C#N)SCCS2)C(C
    )(C)C; CC(C)(C)NC(=O)N[CH](C(=O)N1CC2(C[
    CH]1C(=O)N[CH](C[CH]3CCNC3=O)C#N)SCCS2)C
    (C)(C)C    		 (8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
    31653
    OZM    		 1 C17 H14 O3 InChI=1S/C17H14O3/c18-17(
    19)10-14-11-20-16-9-13(6-
    7-15(14)16)8-12-4-2-1-3-5
    -12/h1-7,9,11H,8,10H2,(H,
    18,19);
    NANLKTVMZIVCBJ-UHFFFAOYSA-N    		 c1ccc(cc1)Cc2ccc3c(c2)occ3CC(=O)O; OC(=O
    )Cc1coc2cc(Cc3ccccc3)ccc12; C(c1ccc2c(CC
    (O)=O)coc2c1)c3ccccc3    		 (6-benzyl-1-benzofuran-3-yl)acetic acid
    31654
    OZN    		 1 C25 H31 Cl N9 O InChI=1S/C25H31ClN9O/c1-1
    6-23(17(2)35(31-16)18-8-1
    1-33(12-9-18)15-22(36)32(
    3)4)29-25-27-14-20(26)24(
    30-25)19-13-28-34-10-6-5-
    7-21(19)34/h5-7,10,13-14,
    18H,8-9,11-12,15H2,1-4H3,
    (H2,27,29,30)/b24-19-;
    AMADJQZSXUFWNT-CLCOLTQESA-N    		 CN(C)C(=O)CN1CCC(CC1)n2nc(C)c(NC3=NC=C(C
    l)\C(N3)=C4/C=Nn5ccccc45)c2C; CN(C)C(=O)
    CN1CCC(CC1)n2nc(C)c(NC3=NC=C(Cl)C(N3)=C4
    C=Nn5ccccc45)c2C; Cc1c(c(n(n1)C2CCN(CC2)
    CC(=O)N(C)C)C)NC3=NC=C(/C(=C/4\C=N[N]5=C
    4C=CC=C5)/N3)Cl; Cc1c(c(n(n1)C2CCN(CC2)C
    C(=O)N(C)C)C)NC3=NC=C(C(=C4C=N[N]5=C4C=C
    C=C5)N3)Cl    		 2-[4-[4-[[(6Z)-5-chloranyl-6-pyrazolo[1,5-a]pyridin-3-ylidene-1H-pyrimidin-2-yl]amino]-3,5-dimethyl-pyrazol-1-yl]piperidin-1-yl]-N,N-dimethyl-ethanamide
    31655
    OZO    		 2 C11 H17 B N O9 P S InChI=1S/C11H17BNO9PS/c1-
    2-10(12(16)22-23(17,18)19
    )13-24(20,21)7-8-4-3-5-9(
    6-8)11(14)15/h3-6,10,13,1
    6H,2,7H2,1H3,(H,14,15)(H2
    ,17,18,19)/t10-/m0/s1;
    OKRPHJKYNCLTSY-JTQLQIEISA-N    		 B([C@H](CC)NS(=O)(=O)Cc1cccc(c1)C(=O)O)(
    O)OP(=O)(O)O; B(C(CC)NS(=O)(=O)Cc1cccc(c
    1)C(=O)O)(O)OP(=O)(O)O; CC[C@H](N[S](=O)
    (=O)Cc1cccc(c1)C(O)=O)B(O)O[P](O)(O)=O;
    O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)OP(=
    O)(O)O; CC[CH](N[S](=O)(=O)Cc1cccc(c1)C(
    O)=O)B(O)O[P](O)(O)=O    		 3-[(4R)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid
    31656
    OZP    		 4 C24 H32 N8 O6 InChI=1S/C24H32N8O6/c25-1
    5(24(36)37)6-8-31(7-2-4-1
    3-3-1-5-14(9-13)21(27)35)
    10-16-18(33)19(34)23(38-1
    6)32-12-30-17-20(26)28-11
    -29-22(17)32/h1,3,5,9,11-
    12,15-16,18-19,23,33-34H,
    2,4,6-8,10,25H2,(H2,27,35
    )(H,36,37)(H2,26,28,29)/t
    15-,16+,18+,19+,23-/m0/s1;
    VSETVFOQAVXGIV-LWXSJTDASA-N    		 N[C@@H](CCN(CCCc1cccc(c1)C(N)=O)C[C@H]2O
    [C@@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34
    )C(O)=O; c1cc(cc(c1)C(=O)N)CCCN(CC[C@@H]
    (C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@H](O2)n
    3cnc4c3ncnc4N)O)O; N[CH](CCN(CCCc1cccc(c
    1)C(N)=O)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc
    4c(N)ncnc34)C(O)=O; c1cc(cc(c1)C(=O)N)CC
    CN(CCC(C(=O)O)N)CC2C(C(C(O2)n3cnc4c3ncnc
    4N)O)O; c12c(ncnc1n(cn2)C4C(C(C(CN(CCC(N
    )C(O)=O)CCCc3cccc(c3)C(N)=O)O4)O)O)N    		 9-(5-{[(3S)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-D-ribofuranosyl)-9H-purin-6-amine
    31657
    OZQ    		 1 C22 H23 N O5 S InChI=1S/C22H23NO5S/c1-4-
    15-7-6-8-16(5-2)21(15)23-
    29(26,27)20-10-9-17(11-14
    (20)3)19-12-18(13-28-19)2
    2(24)25/h6-13,23H,4-5H2,1
    -3H3,(H,24,25);
    SECRWZHINJOGSU-UHFFFAOYSA-N    		 CCc1cccc(c1NS(=O)(=O)c2ccc(cc2C)c3cc(co3
    )C(=O)O)CC; CCc1cccc(CC)c1N[S](=O)(=O)c2
    ccc(cc2C)c3occ(c3)C(O)=O    		 5-[4-[(2,6-diethylphenyl)sulfamoyl]-3-methyl-phenyl]furan-3-carboxylic acid
    31658
    OZR
    ZINC000064746637    		 1 C14 H16 N2 O8 InChI=1S/C14H16N2O8/c17-9
    -5-7(16(22)23)4-8(12(9)19
    )14(21)15-3-1-2-11-13(20)
    10(18)6-24-11/h1-2,4-5,10
    -11,13,17-20H,3,6H2,(H,15
    ,21)/b2-1+/t10-,11+,13-/m
    0/s1;
    VDHNUEGZSFACAM-CNBGNIIQSA-N    		 O[CH]1CO[CH](C=CCNC(=O)c2cc(cc(O)c2O)[N+
    ]([O-])=O)[CH]1O; c1c(cc(c(c1C(=O)NCC=CC
    2C(C(CO2)O)O)O)O)[N+](=O)[O-]; c1c(cc(c(
    c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H](CO2)O)O
    )O)O)[N+](=O)[O-]; [O-][N+](=O)c1cc(c(O)
    c(O)c1)C(=O)NC/C=C/C2OCC(O)C2O; O[C@H]1C
    O[C@H](\C=C\CNC(=O)c2cc(cc(O)c2O)[N+]([O
    -])=O)[C@H]1O    		 N-[(E)-3-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
    31659
    OZS
    ZINC000064746639    		 1 C18 H17 F3 N4 O8 InChI=1S/C18H17F3N4O8/c19
    -18(20,21)12-6-24(7-23-12
    )17-15(29)14(28)11(33-17)
    2-1-3-22-16(30)9-4-8(25(3
    1)32)5-10(26)13(9)27/h1-2
    ,4-7,11,14-15,17,26-29H,3
    H2,(H,22,30)/b2-1+/t11-,1
    4-,15-,17-/m1/s1;
    VZQNYKXXPHSQLJ-LWULHLCXSA-N    		 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1\C=C\CNC(
    =O)c2cc(cc(O)c2O)[N+]([O-])=O)n3cnc(c3)C
    (F)(F)F; c1c(cc(c(c1C(=O)NCC=CC2C(C(C(O2
    )n3cc(nc3)C(F)(F)F)O)O)O)O)[N+](=O)[O-];
    [O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)NC/C=C
    /C3OC(n2cnc(c2)C(F)(F)F)C(O)C3O; c1c(cc(
    c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H
    ](O2)n3cc(nc3)C(F)(F)F)O)O)O)O)[N+](=O)[
    O-]; O[CH]1[CH](O)[CH](O[CH]1C=CCNC(=O)c
    2cc(cc(O)c2O)[N+]([O-])=O)n3cnc(c3)C(F)(
    F)F    		 N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(trifluoromethyl)imidazol-1-yl]oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
    31660
    OZT
    ZINC000005085332    		 0 C5 H7 N O4 InChI=1S/C5H7NO4/c1-2-3(4
    (7)8)6-5(9)10-2/h2-3H,1H3
    ,(H,6,9)(H,7,8)/t2-,3+/m1
    /s1;
    KYNKAUUXUQOZSQ-GBXIJSLDSA-N    		 C[C@H]1OC(=O)N[C@@H]1C(O)=O; CC1C(NC(=O)
    O1)C(=O)O; C[C@@H]1[C@H](NC(=O)O1)C(=O)O
    ; C[CH]1OC(=O)N[CH]1C(O)=O    		 (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
    31661
    OZU
    ZINC000005307420    		 1 C8 H10 N2 O InChI=1S/C8H10N2O/c1-2-8(
    11)10-7-4-3-5-9-6-7/h3-6H
    ,2H2,1H3,(H,10,11);
    QQASUXQGFWJISL-UHFFFAOYSA-N    		 CCC(=O)Nc1cccnc1 ~{N}-pyridin-3-ylpropanamide
    31662
    OZV    		 1 C10 H16 N5 O18 P5 InChI=1S/C10H16N5O18P5/c1
    1-8-5-9(13-2-12-8)15(3-14
    -5)10-7(17)6(16)4(28-10)1
    -27-34(18,19)31-38(26)32-
    36(22,23)29-35(20,21)30-3
    7(24,25)33-38/h2-4,6-7,10
    ,16-17H,1H2,(H,18,19)(H,2
    0,21)(H,22,23)(H,24,25)(H
    2,11,12,13)/t4-,6-,7-,10-
    /m1/s1;
    WWRLCZMRKAWYHG-KQYNXXCUSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O
    [P]4(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O
    )O4)[CH](O)[CH]3O; c1nc(c2c(n1)n(cn2)[C@
    H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP4(
    =O)OP(=O)(OP(=O)(OP(=O)(O4)O)O)O)O)O)N;
    Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=
    O)O[P]4(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)
    (=O)O4)[C@@H](O)[C@H]3O; OP4(OP(OP(=O)(O
    P(O)(=O)OCC3C(C(C(n2c1c(c(N)ncn1)nc2)O3)
    O)O)OP(O4)(=O)O)(O)=O)=O; c1nc(c2c(n1)n(
    cn2)C3C(C(C(O3)COP(=O)(O)OP4(=O)OP(=O)(O
    P(=O)(OP(=O)(O4)O)O)O)O)O)N    		 5'-O-[(R)-hydroxy{[(4R,8S)-4,6,8-trihydroxy-2,4,6,8-tetraoxo-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocan-2-yl]oxy}phosphoryl]adenosine
    31663
    OZW    		 0 C15 H17 N3 O2 InChI=1S/C15H17N3O2/c16-1
    4(15(19)20)10-11-6-8-13(9
    -7-11)18-17-12-4-2-1-3-5-
    12/h1-9,14,17-18H,10,16H2
    ,(H,19,20)/t14-/m0/s1;
    ZLWCHZVFSZLPBY-AWEZNQCLSA-N    		 c1ccc(cc1)NNc2ccc(cc2)C[C@@H](C(=O)O)N;
    c1ccc(cc1)NNc2ccc(cc2)CC(C(=O)O)N; N[CH]
    (Cc1ccc(NNc2ccccc2)cc1)C(O)=O; N[C@@H](C
    c1ccc(NNc2ccccc2)cc1)C(O)=O    		 phenylhydrazinyl phenylalanine
    31664
    OZX    		 3 C16 H12 Cl N3 O InChI=1S/C16H12ClN3O/c17-
    15-7-3-5-12(19-15)8-16(21
    )20-14-10-18-9-11-4-1-2-6
    -13(11)14/h1-7,9-10H,8H2,
    (H,20,21);
    YZQKBSHQXMHNSJ-UHFFFAOYSA-N    		 Clc1cccc(CC(=O)Nc2cncc3ccccc23)n1; c1ccc
    2c(c1)cncc2NC(=O)Cc3cccc(n3)Cl; Clc1cccc
    (CC(=O)Nc2cncc3ccccc32)n1    		 2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
    31665
    OZY    		 8 C31 H56 N7 O18 P InChI=1S/C31H56N7O18P/c1-
    9-19(40)11(10(4-38-9)8-50
    -57(47,48)49)5-37-6-15-22
    (43)24(45)18(36)30(52-15)
    55-27-16(7-39)53-31(25(27
    )46)56-28-20(41)12(33)2-1
    3(34)26(28)54-29-17(35)23
    (44)21(42)14(3-32)51-29/h
    4,12-18,20-31,37,39-46H,2
    -3,5-8,32-36H2,1H3,(H2,47
    ,48,49)/t12-,13+,14-,15-,
    16-,17-,18-,20+,21-,22-,2
    3-,24-,25-,26-,27-,28-,29
    -,30-,31+/m1/s1;
    XKWYFXMYGMVOPV-AWIIFLAXSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]
    ([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C
    @H]([C@@H]3O)O[C@@H]4[C@H]([C@@H](C[C@@H
    ]([C@H]4O[C@@H]5[C@@H]([C@H]([C@@H]([C@H
    ](O5)CN)O)O)N)N)N)O)CO)N)O)O)O; Cc1ncc(C
    O[P](O)(O)=O)c(CNC[C@H]2O[C@H](O[C@H]3[C
    @@H](O)[C@@H](O[C@@H]3CO)O[C@@H]4[C@@H](
    O)[C@H](N)C[C@H](N)[C@H]4O[C@H]5O[C@H](C
    N)[C@@H](O)[C@H](O)[C@H]5N)[C@H](N)[C@@H
    ](O)[C@@H]2O)c1O; Cc1c(c(c(cn1)COP(=O)(O
    )O)CNCC2C(C(C(C(O2)OC3C(OC(C3O)OC4C(C(CC
    (C4OC5C(C(C(C(O5)CN)O)O)N)N)N)O)CO)N)O)O
    )O; Cc1ncc(CO[P](O)(O)=O)c(CNC[CH]2O[CH]
    (O[CH]3[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O
    )[CH](N)C[CH](N)[CH]4O[CH]5O[CH](CN)[CH]
    (O)[CH](O)[CH]5N)[CH](N)[CH](O)[CH]2O)c1
    O; O=P(O)(O)OCc1cnc(c(c1CNCC2C(O)C(C(C(O
    2)OC3C(CO)OC(C3O)OC5C(OC4C(C(C(C(O4)CN)O
    )O)N)C(N)CC(C5O)N)N)O)O)C
    31666
    OZZ
    ZINC000064744342    		 1 C19 H19 N3 O9 InChI=1S/C19H19N3O9/c23-1
    1-3-6-21(7-4-11)19-17(27)
    16(26)14(31-19)2-1-5-20-1
    8(28)12-8-10(22(29)30)9-1
    3(24)15(12)25/h1-4,6-9,14
    ,16-17,19,24-27H,5H2,(H,2
    0,28)/b2-1+/t14-,16-,17-,
    19-/m1/s1;
    HVTOTCCLXQPREB-LDNIWRHMSA-N    		 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1\C=C\CNC(
    =O)c2cc(cc(O)c2O)[N+]([O-])=O)N3C=CC(=O)
    C=C3; [O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)N
    C/C=C/C3OC(N2C=CC(=O)C=C2)C(O)C3O; c1c(c
    c(c(c1C(=O)NCC=CC2C(C(C(O2)N3C=CC(=O)C=C
    3)O)O)O)O)[N+](=O)[O-]; c1c(cc(c(c1C(=O)
    NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=
    CC(=O)C=C3)O)O)O)O)[N+](=O)[O-]; O[CH]1[
    CH](O)[CH](O[CH]1C=CCNC(=O)c2cc(cc(O)c2O
    )[N+]([O-])=O)N3C=CC(=O)C=C3    		 N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxopyridin-1-yl)oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
    31667
    P
    ZINC000058633629    		 0 C13 H18 N5 O7 P InChI=1S/C13H18N5O7P/c19-
    7-4-9(25-8(7)5-24-26(21,2
    2)23)18-6-15-10-11(18)16-
    13-14-2-1-3-17(13)12(10)2
    0/h6-9,19H,1-5H2,(H,14,16
    )(H2,21,22,23)/t7-,8+,9+/
    m0/s1;
    KFIWNSGDRAITKG-DJLDLDEBSA-N    		 O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2c
    nc3C(=O)N4CCCNC4=Nc23; c1nc2c(n1[C@H]3C[
    C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4NCCCN4C
    2=O; O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2c
    nc3C(=O)N4CCCNC4=Nc23; c1nc2c(n1C3CC(C(O
    3)COP(=O)(O)O)O)N=C4NCCCN4C2=O; O=C2c3nc
    n(c3N=C1NCCCN12)C4OC(C(O)C4)COP(=O)(O)O    		 2'-DEOXY-N1,N2-PROPANO GUANOSINE MONOPHOSPHATE
    31668
    P00
    ZINC000098209278    		 7 C12 H18 N3 O8 P InChI=1S/C12H18N3O8P/c1-7
    -11(16)9(5-15-22-3-2-10(1
    3)12(17)18)8(4-14-7)6-23-
    24(19,20)21/h4-5,10,16H,2
    -3,6,13H2,1H3,(H,17,18)(H
    2,19,20,21)/b15-5+/t10-/m
    0/s1;
    HDUKWWSNPJPYAB-XSFFOXFNSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=NOCC[CH](N)C(O)
    =O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/OC
    C[C@@H](C(=O)O)N)O; Cc1c(c(c(cn1)COP(=O)
    (O)O)C=NOCCC(C(=O)O)N)O; Cc1ncc(CO[P](O)
    (O)=O)c(\C=N\OCC[C@H](N)C(O)=O)c1O    		 (2S)-2-azanyl-4-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxy-butanoic acid
    31669
    P01
    CHEMBL23327
    DB04751
    ZINC000000582575    		 4 C19 H25 Cl N6 O InChI=1S/C19H25ClN6O/c1-1
    1(2)15(9-27)23-19-24-17(2
    2-14-7-5-6-13(20)8-14)16-
    18(25-19)26(10-21-16)12(3
    )4/h5-8,10-12,15,27H,9H2,
    1-4H3,(H2,22,23,24,25)/t1
    5-/m0/s1;
    PMXCMJLOPOFPBT-HNNXBMFYSA-N    		 Clc1cccc(c1)Nc3nc(nc2c3ncn2C(C)C)NC(C(C)
    C)CO; CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C
    (C)C)Nc3cccc(c3)Cl; CC(C)[CH](CO)Nc1nc(N
    c2cccc(Cl)c2)c3ncn(C(C)C)c3n1; CC(C)[C@H
    ](CO)Nc1nc(Nc2cccc(Cl)c2)c3ncn(C(C)C)c3n
    1; CC(C)C(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc
    3cccc(c3)Cl    		 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL;
    PURVALANOL A
    31670
    P02
    ZINC000263621253    		 1 C20 H25 F N6 O2 S2 InChI=1S/C20H25FN6O2S2/c1
    -6-27(5)31(28,29)26-13-9-
    7-8-12(15(13)21)16-17(14-
    10-11-23-19(22)24-14)30-1
    8(25-16)20(2,3)4/h7-11,26
    H,6H2,1-5H3,(H2,22,23,24);
    YBUJMZKTOUBMGW-UHFFFAOYSA-N    		 CCN(C)[S](=O)(=O)Nc1cccc(c1F)c2nc(sc2c3c
    cnc(N)n3)C(C)(C)C; O=S(=O)(N(CC)C)Nc3c(F
    )c(c1nc(sc1c2nc(ncc2)N)C(C)(C)C)ccc3; CC
    N(C)S(=O)(=O)Nc1cccc(c1F)c2c(sc(n2)C(C)(
    C)C)c3ccnc(n3)N    		 N'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-N-ethyl-N-methylsulfuric diamide
    31671
    P03
    ZINC000058633634    		 2 C10 H22 O5 InChI=1S/C10H22O5/c11-3-9
    -14-7-1-5-13-6-2-8-15-10-
    4-12/h11-12H,1-10H2;
    GNAZJSIZGCDIQL-UHFFFAOYSA-N    		 OCCOCCCOCCCOCCO; C(COCCCOCCO)COCCO 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol
    31672
    P04
    CHEMBL404508
    DB08338
    ZINC000029129113    		 1 C19 H21 N7 O InChI=1S/C19H21N7O/c27-16
    -7-2-1-4-12-11-20-26-17(1
    2)24-18(25-19(26)23-13-8-
    9-13)22-15-6-3-5-14(10-15
    )21-16/h3,5-6,10-11,13H,1
    -2,4,7-9H2,(H,21,27)(H2,2
    2,23,24,25);
    HIJNSOUPEZHEMC-UHFFFAOYSA-N    		 O=C5Nc1cccc(c1)Nc3nc2c(cnn2c(n3)NC4CC4)C
    CCC5; c1cc2cc(c1)NC(=O)CCCCc3cnn4c3nc(nc
    4NC5CC5)N2; O=C1CCCCc2cnn3c(NC4CC4)nc(Nc
    5cccc(N1)c5)nc23    		 19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one
    31673
    P05
    ZINC000095920844    		 1 C20 H24 N4 O2 InChI=1S/C20H24N4O2/c21-1
    7(13-15-5-2-1-3-6-15)20(2
    6)24-12-4-7-18(24)19(25)2
    3-14-16-8-10-22-11-9-16/h
    1-3,5-6,8-11,17-18H,4,7,1
    2-14,21H2,(H,23,25)/t17-,
    18+/m1/s1;
    NYODECMUQISAKD-MSOLQXFVSA-N    		 N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NC
    c3ccncc3; c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)
    NCc3ccncc3)N; c1ccc(cc1)C[C@H](C(=O)N2CC
    C[C@H]2C(=O)NCc3ccncc3)N; N[CH](Cc1ccccc
    1)C(=O)N2CCC[CH]2C(=O)NCc3ccncc3; O=C(NC
    c1ccncc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3    		 D-phenylalanyl-N-(pyridin-4-ylmethyl)-L-prolinamide
    31674
    P06
    CHEMBL2028663
    DB08912
    ZINC000068153186    		 12 C23 H20 F3 N5 O2 S2 InChI=1S/C23H20F3N5O2S2/c
    1-23(2,3)21-30-18(19(34-2
    1)16-10-11-28-22(27)29-16
    )12-6-4-9-15(17(12)26)31-
    35(32,33)20-13(24)7-5-8-1
    4(20)25/h4-11,31H,1-3H3,(
    H2,27,28,29);
    BFSMGDJOXZAERB-UHFFFAOYSA-N    		 CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F
    )NS(=O)(=O)c4c(cccc4F)F; c4(N)nc(c1c(nc(
    s1)C(C)(C)C)c2c(c(ccc2)NS(=O)(=O)c3c(ccc
    c3F)F)F)ccn4; CC(C)(C)c1sc(c2ccnc(N)n2)c
    (n1)c3cccc(N[S](=O)(=O)c4c(F)cccc4F)c3F    		 Dabrafenib;
    N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide
    31675
    P07    		 1 C20 H18 N6 InChI=1S/C20H18N6/c1-3-25
    -19-15-11-7-5-9-13(15)18-
    20(26(4-2)24-22-18)16-12-
    8-6-10-14(16)17(19)21-23-
    25/h5-12H,3-4H2,1-2H3/b17
    -14+,18-13+,19-15+,20-16+;
    YRZRZRBFIALCLI-MKVCYXFSSA-N    		 CCn1nnc2c3ccccc3c4n(CC)nnc4c5ccccc5c12;
    CCn1c-2c(nn1)-c3ccccc3-c4c(nnn4CC)-c5c2c
    ccc5; n1nn(c4c1c5c(c2c(nnn2CC)c3ccccc34)
    cccc5)CC    		 1,8-DIETHYL-1,8-DIHYDRODIBENZO[3,4:7,8][1,2,3]TRIAZOLO[4',5':5,6]CYCLOOCTA[1,2-D][1,2,3]TRIAZOLE
    31676
    P08
    ZINC000101517114    		 2 C22 H24 N2 O3 InChI=1S/C22H24N2O3/c1-15
    -12-18(16(2)23-17-6-4-3-5
    -7-17)22-19(13-15)20(25)1
    4-21(27-22)24-8-10-26-11-
    9-24/h3-7,12-14,16,23H,8-
    11H2,1-2H3/t16-/m0/s1;
    VRCXIJAYLCUSHC-INIZCTEOSA-N    		 C[CH](Nc1ccccc1)c2cc(C)cc3C(=O)C=C(Oc23)
    N4CCOCC4; C[C@H](Nc1ccccc1)c2cc(C)cc3C(=
    O)C=C(Oc23)N4CCOCC4; Cc1cc2c(c(c1)[C@H](
    C)Nc3ccccc3)OC(=CC2=O)N4CCOCC4; O=C1C=C(
    Oc2c1cc(cc2C(Nc3ccccc3)C)C)N4CCOCC4; Cc1
    cc2c(c(c1)C(C)Nc3ccccc3)OC(=CC2=O)N4CCOC
    C4    		 PIK-108
    31677
    P09
    ZINC000003039535    		 1 C22 H19 N O4 InChI=1S/C22H19NO4/c1-14-
    7-10-18(13-15(14)2)27-17-
    11-8-16(9-12-17)23-21(24)
    19-5-3-4-6-20(19)22(25)26
    /h3-13H,1-2H3,(H,23,24)(H
    ,25,26);
    NZJZJKJPXZZEEC-UHFFFAOYSA-N    		 Cc1ccc(Oc2ccc(NC(=O)c3ccccc3C(O)=O)cc2)c
    c1C; Cc1ccc(cc1C)Oc2ccc(cc2)NC(=O)c3cccc
    c3C(=O)O; O=C(O)c1ccccc1C(=O)Nc3ccc(Oc2c
    c(c(cc2)C)C)cc3    		 2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid;
    BPH-1299
    31678
    P0A
    ZINC000002169351    		 11 C7 H13 N O4 InChI=1S/C7H13NO4/c8-5(7(
    11)12)3-1-2-4-6(9)10/h5H,
    1-4,8H2,(H,9,10)(H,11,12)
    /t5-/m1/s1;
    JUQLUIFNNFIIKC-RXMQYKEDSA-N    		 C(CCC(=O)O)C[C@H](C(=O)O)N; O=C(O)C(N)CC
    CCC(=O)O; C(CCC(=O)O)CC(C(=O)O)N; N[CH](
    CCCCC(O)=O)C(O)=O; N[C@H](CCCCC(O)=O)C(O
    )=O    		 (2R)-2-aminoheptanedioic acid
    31679
    P0B
    ZINC000044867504    		 2 C13 H13 Cl F N3 O2 InChI=1S/C13H13ClFN3O2/c1
    -18(6-8-5-12(19)17-13(20)
    16-8)7-9-10(14)3-2-4-11(9
    )15/h2-5H,6-7H2,1H3,(H2,1
    6,17,19,20);
    WRXCNKOWDSUZRN-UHFFFAOYSA-N    		 CN(Cc1c(cccc1Cl)F)CC2=CC(=O)NC(=O)N2; CN
    (CC1=CC(=O)NC(=O)N1)Cc2c(F)cccc2Cl    		 6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione
    31680
    P0C
    ZINC000043771839    		 1 C12 H15 N3 O5 InChI=1S/C12H15N3O5/c1-5-
    2-6-3-15(12(19)14-10(6)13
    -5)11-9(18)8(17)7(4-16)20
    -11/h2-3,7-9,11,16-18H,4H
    2,1H3,(H,13,14,19)/t7-,8-
    ,9-,11-/m1/s1;
    GCNYJWODKQPZDE-TURQNECASA-N    		 CC1=CC2=CN(C(=O)N=C2N1)[C@H]3[C@@H]([C@@
    H]([C@H](O3)CO)O)O; CC1=CC2=CN([C@@H]3O[
    C@H](CO)[C@@H](O)[C@H]3O)C(=O)N=C2N1; CC
    1=CC2=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C(=
    O)N=C2N1; O=C1N=C3C(=CN1C2OC(C(O)C2O)CO)
    C=C(N3)C; CC1=CC2=CN(C(=O)N=C2N1)C3C(C(C
    (O3)CO)O)O    		 6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one;
    6-Methyl-3-(beta-D-2-ribofuranosyl)pyrrolo[2,3-d] pyrimidin-2-one
    31681
    P0D
    ZINC000098209279    		 1 C12 H19 N O7 P2 InChI=1S/C12H19NO7P2/c1-9
    (13)21(16,20-22(17,18)19)
    8-11(12(14)15)7-10-5-3-2-
    4-6-10/h2-6,9,11H,7-8,13H
    2,1H3,(H,14,15)(H2,17,18,
    19)/t9-,11-,21+/m1/s1;
    KXASHFLSUHEZCK-UODZXCQVSA-N    		 CC(N)P(=O)(CC(Cc1ccccc1)C(=O)O)OP(=O)(O)
    O; C[CH](N)[P](=O)(C[CH](Cc1ccccc1)C(O)=
    O)O[P](O)(O)=O; C[C@H](N)[P@](=O)(C[C@@H
    ](Cc1ccccc1)C(O)=O)O[P](O)(O)=O; O=C(O)C
    (CP(=O)(OP(=O)(O)O)C(N)C)Cc1ccccc1; C[C@
    H](N)[P@](=O)(C[C@@H](Cc1ccccc1)C(=O)O)O
    P(=O)(O)O    		 (2S)-3-[(S)-[(1R)-1-aminoethyl](phosphonooxy)phosphoryl]-2-benzylpropanoic acid
    31682
    P0E
    DB04752
    ZINC000098209280    		 1 C39 H73 O9 P InChI=1S/C39H73O9P/c1-3-5
    -7-9-11-13-15-17-18-20-21
    -23-25-27-29-31-38(41)45-
    35-37(36-47-49(43,44)46-3
    4-33-40)48-39(42)32-30-28
    -26-24-22-19-16-14-12-10-
    8-6-4-2/h14,16-18,37,40H,
    3-13,15,19-36H2,1-2H3,(H,
    43,44)/b16-14-,18-17-/t37
    -/m0/s1;
    PGYPLYNHOCZJEB-JSTCSLLMSA-N    		 CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC
    O)OC(=O)CCCCCCCC=CCCCCCC; O=C(OC(COP(=O)
    (OCCO)O)COC(=O)CCCCCCC\C=C/CCCCCCCC)CCCC
    CCC\C=C/CCCCCC; CCCCCCCC\C=C/CCCCCCCC(=O
    )OC[C@@H](CO[P@@](O)(=O)OCCO)OC(=O)CCCCC
    CC\C=C/CCCCCC; CCCCCCCC\C=C/CCCCCCCC(=O)
    OC[C@@H](CO[P@](=O)(O)OCCO)OC(=O)CCCCCCC
    \C=C/CCCCCC; CCCCCCCCC=CCCCCCCCC(=O)OC[C
    H](CO[P](O)(=O)OCCO)OC(=O)CCCCCCCC=CCCCC
    CC    		 PHOSPHATIDYL ETHANOL;
    (2S)-2-[(9E)-HEXADEC-9-ENOYLOXY]-3-{[HYDROXY(2-HYDROXYETHOXY)PHOSPHORYL]OXY}PROPYL (9E)-OCTADEC-9-ENOATE
    31683
    P0F
    CHEMBL4079354    		 1 C15 H12 Cl F N4 O InChI=1S/C15H12ClFN4O/c16
    -12-5-2-6-13(17)11(12)8-1
    8-15-19-14(20-21-15)9-3-1
    -4-10(22)7-9/h1-7,22H,8H2
    ,(H2,18,19,20,21);
    AAAVVDAKZZKRGS-UHFFFAOYSA-N    		 Oc1cccc(c1)c2[nH]c(NCc3c(F)cccc3Cl)nn2;
    c1cc(cc(c1)O)c2[nH]c(nn2)NCc3c(cccc3Cl)F
    ; Clc1cccc(F)c1CNc2nnc(n2)c3cc(O)ccc3    		 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol
    31684
    P0G
    CHEMBL1615159
    ZINC000045302446    		 8 C21 H26 N2 O4 InChI=1S/C21H26N2O4/c1-13
    -6-4-5-7-14(13)10-21(2,3)
    22-11-17(25)15-8-9-16(24)
    19-20(15)27-12-18(26)23-1
    9/h4-9,17,22,24-25H,10-12
    H2,1-3H3,(H,23,26)/t17-/m
    0/s1;
    NWQXBEWHTDRJIP-KRWDZBQOSA-N    		 Cc1ccccc1CC(C)(C)NC[CH](O)c2ccc(O)c3NC(=
    O)COc23; O=C1Nc2c(O)ccc(c2OC1)C(O)CNC(C)
    (C)Cc3ccccc3C; Cc1ccccc1CC(C)(C)NC[C@@H]
    (c2ccc(c3c2OCC(=O)N3)O)O; Cc1ccccc1CC(C)
    (C)NC[C@H](O)c2ccc(O)c3NC(=O)COc23; Cc1c
    cccc1CC(C)(C)NCC(c2ccc(c3c2OCC(=O)N3)O)O    		 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one
    31685
    P0H
    ZINC000002004342    		 1 C15 H18 N2 O5 InChI=1S/C15H18N2O5/c18-1
    3(17-8-4-7-12(17)14(19)20
    )9-16-15(21)22-10-11-5-2-
    1-3-6-11/h1-3,5-6,12H,4,7
    -10H2,(H,16,21)(H,19,20)/
    t12-/m0/s1;
    ZTUKZKYDJMGJDC-LBPRGKRZSA-N    		 O=C(N1C(C(=O)O)CCC1)CNC(=O)OCc2ccccc2; O
    C(=O)[CH]1CCCN1C(=O)CNC(=O)OCc2ccccc2; O
    C(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc2ccccc2;
    c1ccc(cc1)COC(=O)NCC(=O)N2CCC[C@H]2C(=O
    )O; c1ccc(cc1)COC(=O)NCC(=O)N2CCCC2C(=O)
    O    		 N-[(benzyloxy)carbonyl]glycyl-L-proline
    31686
    P0I    		 2 C26 H33 N3 O3 InChI=1S/C26H33N3O3/c30-2
    5(22-10-7-13-24(20-22)32-
    19-14-21-8-3-1-4-9-21)28-
    15-17-29(18-16-28)26(31)2
    7-23-11-5-2-6-12-23/h2,5-
    7,10-13,20-21H,1,3-4,8-9,
    14-19H2,(H,27,31);
    LWLAYULJAJMPKG-UHFFFAOYSA-N    		 O=C(Nc1ccccc1)N1CCN(CC1)C(=O)c1cccc(OCCC
    2CCCCC2)c1; c1ccc(cc1)NC(=O)N2CCN(CC2)C(
    =O)c3cccc(c3)OCCC4CCCCC4; O=C(Nc1ccccc1)
    N2CCN(CC2)C(=O)c3cccc(OCCC4CCCCC4)c3    		 4-[3-(2-cyclohexylethoxy)benzoyl]-N-phenylpiperazine-1-carboxamide
    31687
    P0J    		 1 H4 O12 P4 InChI=1S/H4O12P4/c1-13(2)
    9-14(3,4)11-16(7,8)12-15(
    5,6)10-13/h(H,1,2)(H,3,4)
    (H,5,6)(H,7,8);
    GIXFALHDORQSOQ-UHFFFAOYSA-N    		 O[P]1(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=
    O)O1; OP1(=O)OP(=O)(OP(=O)(OP(=O)(O1)O)O
    )O; O1P(O)(OP(O)(=O)OP(OP1(=O)O)(=O)O)=O    		 2,4,6,8-tetrahydroxy-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocane-2,4,6,8-tetrone
    31688
    P0K    		 2 C11 H13 N3 O3 InChI=1S/C11H13N3O3/c1-14
    (7-9-3-2-4-17-9)6-8-5-10(
    15)13-11(16)12-8/h2-4H,5-
    7H2,1H3,(H,13,15,16);
    PWXNLVGSEBBXAV-UHFFFAOYSA-N    		 CN(Cc1ccco1)CC2=NC(=O)NC(=O)C2; CN(CC1=N
    C(=O)NC(=O)C1)Cc2occc2    		 6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione
    31689
    P0L
    ZINC000098209281    		 0 C14 H22 N O5 P InChI=1S/C14H22NO5P/c1-10
    (2)8-13(15)21(18,19)20-12
    (14(16)17)9-11-6-4-3-5-7-
    11/h3-7,10,12-13H,8-9,15H
    2,1-2H3,(H,16,17)(H,18,19
    )/t12-,13+/m0/s1;
    NWWDZELTKBSVDG-QWHCGFSZSA-N    		 O=C(O)C(OP(=O)(O)C(N)CC(C)C)Cc1ccccc1; C
    C(C)C[C@H](N)[P@](=O)(O)O[C@@H](Cc1ccccc
    1)C(=O)O; CC(C)CC(N)P(=O)(O)OC(Cc1ccccc1
    )C(=O)O; CC(C)C[C@H](N)[P](O)(=O)O[C@@H]
    (Cc1ccccc1)C(O)=O; CC(C)C[CH](N)[P](O)(=
    O)O[CH](Cc1ccccc1)C(O)=O    		 (2S)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid
    31690
    P0M    		 2 C12 H11 N O5 InChI=1S/C12H11NO5/c13-9(
    12(16)17)3-6-4-11(15)18-1
    0-5-7(14)1-2-8(6)10/h1-2,
    4-5,9,14H,3,13H2,(H,16,17
    )/t9-/m0/s1;
    UURZOUPNUFWGBS-VIFPVBQESA-N    		 c1cc2c(cc1O)OC(=O)C=C2CC(C(=O)O)N; c1cc2
    c(cc1O)OC(=O)C=C2C[C@@H](C(=O)O)N; N[CH]
    (CC1=CC(=O)Oc2cc(O)ccc12)C(O)=O; N[C@@H]
    (CC1=CC(=O)Oc2cc(O)ccc12)C(O)=O    		 (2~{S})-2-azanyl-3-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)propanoic acid
    31691
    P0N
    ZINC000011803233    		 3 C12 H16 Cl N O InChI=1S/C12H16ClNO/c1-12
    (2)8-15-11(7-14-12)9-5-3-
    4-6-10(9)13/h3-6,11,14H,7
    -8H2,1-2H3/t11-/m0/s1;
    DFWMZTVATFWCIA-NSHDSACASA-N    		 CC1(COC(CN1)c2ccccc2Cl)C; CC1(CO[C@@H](C
    N1)c2ccccc2Cl)C; CC1(C)CO[C@@H](CN1)c2cc
    ccc2Cl; CC1(C)CO[CH](CN1)c2ccccc2Cl    		 (2~{R})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine
    31692
    P0O    		 1 C29 H47 N5 O5 InChI=1S/C29H47N5O5/c1-16
    (35)10-11-18(14-17-12-13-
    30-23(17)36)31-24(37)21-2
    0-19(29(20,8)9)15-34(21)2
    5(38)22(27(2,3)4)32-26(39
    )33-28(5,6)7/h10-11,17-22
    H,12-15H2,1-9H3,(H,30,36)
    (H,31,37)(H2,32,33,39)/b1
    1-10+/t17-,18+,19-,20-,21
    -,22+/m0/s1;
    BKLMFWOPPAUWNX-NWKMKTNDSA-N    		 CC(=O)C=CC(CC1CCNC1=O)NC(=O)C2C3C(C3(C)C
    )CN2C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C; CC(
    =O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@
    H]2[C@@H]3[C@H](CN2C(=O)[C@@H](NC(=O)NC(
    C)(C)C)C(C)(C)C)C3(C)C; CC(=O)C=C[C@H](C
    [C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H
    ](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC
    (C)(C)C; CC(=O)C=C[CH](C[CH]1CCNC1=O)NC(
    =O)[CH]2[CH]3[CH](CN2C(=O)[CH](NC(=O)NC(
    C)(C)C)C(C)(C)C)C3(C)C    		 (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-5-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]hex-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
    31693
    P0P
    ZINC000034150383    		 2 C8 H12 N O7 P InChI=1S/C8H12NO7P/c1-4-7
    (10)6(8(11)12)5(2-9-4)3-1
    6-17(13,14)15/h2,8,10-12H
    ,3H2,1H3,(H2,13,14,15);
    WNSLUVKENIMLGR-UHFFFAOYSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)C(O)O)O; O=P(O)
    (O)OCc1cnc(c(O)c1C(O)O)C; Cc1ncc(CO[P](O
    )(O)=O)c(C(O)O)c1O    		 [4-(DIHYDROXYMETHYL)-5-HYDROXY-6-METHYLPYRIDIN-3-YL]METHYL DIHYDROGEN PHOSPHATE
    31694
    P0Q
    ZINC000036673008    		 1 C13 H18 Cl N O InChI=1S/C13H18ClNO/c1-9-
    12(16-8-13(2,3)15-9)10-5-
    4-6-11(14)7-10/h4-7,9,12,
    15H,8H2,1-3H3/t9-,12+/m1/
    s1;
    KLPHSXVQSDRPPX-SKDRFNHKSA-N    		 C[C@H]1NC(C)(C)CO[C@@H]1c2cccc(Cl)c2; C[
    CH]1NC(C)(C)CO[CH]1c2cccc(Cl)c2; C[C@@H]
    1[C@H](OCC(N1)(C)C)c2cccc(c2)Cl; CC1C(OC
    C(N1)(C)C)c2cccc(c2)Cl    		 (2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine
    31695
    P0S
    ZINC000257373260    		 2 H6 O18 P6 InChI=1S/H6O18P6/c1-19(2)
    13-20(3,4)15-22(7,8)17-24
    (11,12)18-23(9,10)16-21(5
    ,6)14-19/h(H,1,2)(H,3,4)(
    H,5,6)(H,7,8)(H,9,10)(H,1
    1,12);
    SZGVJLCXTSBVKL-UHFFFAOYSA-N    		 O[P]1(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=
    O)O[P](O)(=O)O[P](O)(=O)O1; O=P1(OP(=O)(
    O)OP(O)(OP(OP(OP(O)(O1)=O)(O)=O)(=O)O)=O
    )O; OP1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(O
    P(=O)(O1)O)O)O)O)O    		 2,4,6,8,10,12-hexahydroxy-2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~,10lambda~5~,12lambda~5~-cyclohexaphosphoxane-2,4,6,8,10,12-hexone
    31696
    P0T
    CHEMBL190461
    DB09061
    ZINC000004097406    		 78 C21 H30 O2 InChI=1S/C21H30O2/c1-5-6-
    7-8-16-12-19(22)21(20(23)
    13-16)18-11-15(4)9-10-17(
    18)14(2)3/h11-13,17-18,22
    -23H,2,5-10H2,1,3-4H3/t17
    -,18+/m0/s1;
    QHMBSVQNZZTUGM-ZWKOTPCHSA-N    		 C(=C)(\C)C1C(C=C(C)CC1)c2c(cc(cc2O)CCCCC
    )O; CCCCCc1cc(c(c(c1)O)C2C=C(CCC2C(=C)C)
    C)O; CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2
    C(C)=C)c(O)c1; CCCCCc1cc(c(c(c1)O)[C@@H]
    2C=C(CC[C@H]2C(=C)C)C)O; CCCCCc1cc(O)c([
    CH]2C=C(C)CC[CH]2C(C)=C)c(O)c1    		 cannabidiol;
    (1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol
    31697
    P0U
    CHEMBL5220623    		 1 C14 H17 N O3 InChI=1S/C14H17NO3/c1-9-1
    1-8-13(18-4)12(17-3)7-10(
    11)5-6-15(2)14(9)16/h5-9H
    ,1-4H3/t9-/m1/s1;
    DIOZLEANHAFFJH-SECBINFHSA-N    		 COc1cc2C=CN(C)C(=O)[C@H](C)c2cc1OC; CC1c
    2cc(c(cc2C=CN(C1=O)C)OC)OC; C[C@@H]1c2cc
    (c(cc2C=CN(C1=O)C)OC)OC; COc1cc2C=CN(C)C
    (=O)[CH](C)c2cc1OC    		 (1~{R})-7,8-dimethoxy-1,3-dimethyl-1~{H}-3-benzazepin-2-one
    31698
    P0V    		 4 C24 H28 N8 O6 InChI=1S/C24H28N8O6/c25-1
    5(24(36)37)6-8-31(7-2-4-1
    3-3-1-5-14(9-13)21(27)35)
    10-16-18(33)19(34)23(38-1
    6)32-12-30-17-20(26)28-11
    -29-22(17)32/h1,3,5,9,11-
    12,15-16,18-19,23,33-34H,
    6-8,10,25H2,(H2,27,35)(H,
    36,37)(H2,26,28,29)/t15-,
    16-,18+,19+,23+/m1/s1;
    BWPXKNJHQXYKGO-VUZQMMKOSA-N    		 N[C@H](CCN(CC#Cc1cccc(c1)C(N)=O)C[C@H]2O
    [C@@H]([C@@H](O)[C@H]2O)n3cnc4c(N)ncnc34
    )C(O)=O; c1cc(cc(c1)C(=O)N)C#CCN(CCC(C(=
    O)O)N)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O; c1
    cc(cc(c1)C(=O)N)C#CCN(CC[C@H](C(=O)O)N)C
    [C@@H]2[C@@H]([C@@H]([C@H](O2)n3cnc4c3nc
    nc4N)O)O; N[CH](CCN(CC#Cc1cccc(c1)C(N)=O
    )C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncn
    c34)C(O)=O; c1c(cccc1C#CCN(CC4C(C(C(n3c2
    ncnc(c2nc3)N)O4)O)O)CCC(N)C(O)=O)C(N)=O    		 9-(5-{[(3R)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-D-lyxofuranosyl)-9H-purin-6-amine
    31699
    P0W
    ZINC000058265287    		 1 C16 H17 N5 O2 InChI=1S/C16H17N5O2/c1-20
    (11-13-9-15(22)18-16(23)1
    7-13)10-12-7-8-21(19-12)1
    4-5-3-2-4-6-14/h2-9H,10-1
    1H2,1H3,(H2,17,18,22,23);
    QEPPSXRODAKRSU-UHFFFAOYSA-N    		 CN(Cc1ccn(n1)c2ccccc2)CC3=CC(=O)NC(=O)N3
    ; CN(CC1=CC(=O)NC(=O)N1)Cc2ccn(n2)c3cccc
    c3    		 6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione
    31700
    P0X    		 1 C20 H16 Cl N3 O3 InChI=1S/C20H16ClN3O3/c21
    -13-4-3-5-14(10-13)24-9-8
    -23(12-19(24)26)20(27)16-
    11-18(25)22-17-7-2-1-6-15
    (16)17/h1-7,10-11H,8-9,12
    H2,(H,22,25);
    BJJZCSKOWCBJFK-UHFFFAOYSA-N    		 O=C(C1=CC(=O)Nc2ccccc21)N1CC(=O)N(CC1)c1
    cccc(Cl)c1; c1ccc2c(c1)C(=CC(=O)N2)C(=O)
    N3CCN(C(=O)C3)c4cccc(c4)Cl; Clc1cccc(c1)
    N2CCN(CC2=O)C(=O)C3=CC(=O)Nc4ccccc34    		 4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one
    31701
    P0Y
    ZINC000098209282    		 0 C22 H29 N3 O3 S InChI=1S/C22H29N3O3S/c23-
    19(11-16-5-2-1-3-6-16)21(
    26)14-25-10-8-18(12-20(25
    )22(27)28)29-15-17-7-4-9-
    24-13-17/h1-7,9,13,18-21,
    26H,8,10-12,14-15,23H2,(H
    ,27,28)/t18-,19+,20+,21-/
    m1/s1;
    ZHXWLXZCNVHJFZ-IVAOSVALSA-N    		 c1ccc(cc1)CC(C(CN2CCC(CC2C(=O)O)SCc3cccn
    c3)O)N; N[C@@H](Cc1ccccc1)[C@H](O)CN2CC[
    C@H](C[C@H]2C(O)=O)SCc3cccnc3; N[CH](Cc1
    ccccc1)[CH](O)CN2CC[CH](C[CH]2C(O)=O)SCc
    3cccnc3; O=C(O)C3N(CC(O)C(N)Cc1ccccc1)CC
    C(SCc2cccnc2)C3; c1ccc(cc1)C[C@@H]([C@@H
    ](C[N@@]2CC[C@H](C[C@H]2C(=O)O)SCc3cccnc
    3)O)N    		 (2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-[(pyridin-3-ylmethyl)sulfanyl]piperidine-2-carboxylic acid
    31702
    P0Z
    ZINC000067230545    		 1 C17 H25 N3 O3 InChI=1S/C17H25N3O3/c1-17
    (2)12-23-14(13-7-5-4-6-8-
    13)11-20(17)10-9-15(21)19
    -16(22)18-3/h4-8,14H,9-12
    H2,1-3H3,(H2,18,19,21,22)
    /t14-/m0/s1;
    IDBQMLQPFSYUGO-AWEZNQCLSA-N    		 CC1(COC(CN1CCC(=O)NC(=O)NC)c2ccccc2)C; C
    NC(=O)NC(=O)CCN1C[CH](OCC1(C)C)c2ccccc2;
    CC1(CO[C@@H](CN1CCC(=O)NC(=O)NC)c2ccccc
    2)C; CNC(=O)NC(=O)CCN1C[C@H](OCC1(C)C)c2
    ccccc2    		 3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide
    31703
    P10
    DB02128
    ZINC000012501625    		 1 C27 H29 N3 O5 InChI=1S/C27H29N3O5/c31-1
    8-25(32)23(14-13-20-8-3-1
    -4-9-20)29-26(33)24(16-21
    -10-5-2-6-11-21)30-27(34)
    35-19-22-12-7-15-28-17-22
    /h1-12,15,17,23-24,31H,13
    -14,16,18-19H2,(H,29,33)(
    H,30,34)/t23-,24-/m0/s1;
    QCUBCTPTNWPFBC-ZEQRLZLVSA-N    		 OCC(=O)[CH](CCc1ccccc1)NC(=O)[CH](Cc2ccc
    cc2)NC(=O)OCc3cccnc3; OCC(=O)[C@H](CCc1c
    cccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3cc
    cnc3; O=C(CO)C(NC(=O)C(NC(=O)OCc1cccnc1)
    Cc2ccccc2)CCc3ccccc3; c1ccc(cc1)CC[C@@H]
    (C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc
    3cccnc3; c1ccc(cc1)CCC(C(=O)CO)NC(=O)C(C
    c2ccccc2)NC(=O)OCc3cccnc3    		 [1-(3-HYDROXY-2-OXO-1-PHENETHYL-PROPYLCARBAMOYL)2-PHENYL-ETHYL]-CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER
    31704
    P11    		 0 C41 H56 N17 O8 InChI=1S/C41H55N17O8/c1-5
    3(2)17-8-12-42-31(59)9-13
    -44-37(62)28-20-26(22-56(
    28)5)48-41(66)36-52-30(24
    -58(36)7)50-33(61)11-15-4
    6-39(64)35-51-29(23-57(35
    )6)49-32(60)10-14-45-38(6
    3)27-19-25(21-55(27)4)47-
    40(65)34-43-16-18-54(34)3
    /h16,18-24H,8-15,17H2,1-7
    H3,(H,42,59)(H,44,62)(H,4
    5,63)(H,46,64)(H,47,65)(H
    ,48,66)(H,49,60)(H,50,61)
    /p+1;
    XZTAUBIMIILCRT-UHFFFAOYSA-O    		 O=C(c3nc(NC(=O)CCNC(=O)c2cc(NC(=O)c1nccn
    1C)cn2C)cn3C)NCCC(=O)Nc5nc(C(=O)Nc4cc(C(
    =O)NCCC(=O)NCCC[NH+](C)C)n(c4)C)n(c5)C;
    Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=O)N
    c3cn(c(n3)C(=O)NCCC(=O)Nc4cn(c(n4)C(=O)N
    c5cc(n(c5)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C
    )C; Cn1ccnc1C(=O)Nc2cn(C)c(c2)C(=O)NCCC(
    =O)Nc3cn(C)c(n3)C(=O)NCCC(=O)Nc4cn(C)c(n
    4)C(=O)Nc5cn(C)c(c5)C(=O)NCCC(=O)NCCC[NH
    +](C)C    		 IMIDAZOLE-PYRROLE-BETA ALANINE-IMIDAZOLE-BETA ALANINE-IMIDAZOLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
    31705
    P12    		 0 C16 H29 N5 O2 InChI=1S/C16H27N5O2/c1-22
    -14-3-4-15(23-10-2-5-17)1
    3(11-14)12-20-6-8-21(9-7-
    20)16(18)19/h3-4,11H,2,5-
    10,12,17H2,1H3,(H3,18,19)
    /p+2;
    XWWAFELYNPUCDX-UHFFFAOYSA-P    		 [N@H]=C(N)N2CC[NH+](Cc1cc(OC)ccc1OCCC[NH
    3+])CC2; [H]N=C(N)N1CC[NH+](CC1)Cc2cc(cc
    c2OCCC[NH3+])OC; COc1ccc(OCCC[NH3+])c(C[
    NH+]2CCN(CC2)C(N)=N)c1; [H]/N=C(\N)/N1CC
    [NH+](CC1)Cc2cc(ccc2OCCC[NH3+])OC    		 4-[AMINO(IMINO)METHYL]-1-[2-(3-AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-1-IUM;
    RBT205 INHIBITOR
    31706
    P13
    ZINC000022040670    		 0 C24 H33 N5 O InChI=1S/C24H33N5O/c25-7-
    1-15-30-24-5-3-20(19-2-4-
    23-21(16-19)6-8-28-23)17-
    22(24)18-27-11-14-29-12-9
    -26-10-13-29/h2-6,8,16-17
    ,26-28H,1,7,9-15,18,25H2;
    WVRJFVULANTNJW-UHFFFAOYSA-N    		 NCCCOc1ccc(cc1CNCCN2CCNCC2)c3ccc4[nH]ccc
    4c3; O(c3ccc(c2cc1ccnc1cc2)cc3CNCCN4CCNC
    C4)CCCN; c1cc2c(cc[nH]2)cc1c3ccc(c(c3)CN
    CCN4CCNCC4)OCCCN    		 N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE;
    RBT550 INHIBITOR
    31707
    P14    		 0 C16 H31 N7 O2 InChI=1S/C16H29N7O2/c1-24
    -13-4-5-14(25-9-8-23-16(1
    9)20)12(10-13)11-21-6-2-3
    -7-22-15(17)18/h4-5,10,21
    H,2-3,6-9,11H2,1H3,(H4,17
    ,18,22)(H4,19,20,23)/p+2;
    ZCQAXURCNFAREC-UHFFFAOYSA-P    		 COc1ccc(OCCNC(N)=[NH2+])c(CNCCCCNC(N)=[N
    H2+])c1; COc1ccc(c(c1)CNCCCCNC(=[NH2+])N
    )OCCNC(=[NH2+])N; O(c1ccc(OC)cc1CNCCCCNC
    (=[NH2+])\N)CCNC(=[NH2+])\N    		 N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-4-METHOXYPHENOXY)ETHYL]GUANIDINE;
    RBT203 INHIBITOR
    31708
    P15
    ZINC000005997860    		 0 C13 H28 O7 InChI=1S/C13H28O7/c1-15-4
    -5-17-8-9-19-12-13-20-11-
    10-18-7-6-16-3-2-14/h14H,
    2-13H2,1H3;
    FHHGCKHKTAJLOM-UHFFFAOYSA-N    		 O(CCOC)CCOCCOCCOCCOCCO; COCCOCCOCCOCCOCC
    OCCO    		 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL
    31709
    P16
    CHEMBL327127
    DB08339
    ZINC000002047503    		 6 C21 H16 Cl2 N4 O2 InChI=1S/C21H16Cl2N4O2/c1
    -27-19-13(9-15(20(27)29)1
    8-16(22)6-3-7-17(18)23)10
    -24-21(26-19)25-14-5-2-4-
    12(8-14)11-28/h2-10,28H,1
    1H2,1H3,(H,24,25,26);
    ZIQFYVPVJZEOFS-UHFFFAOYSA-N    		 CN1c2c(cnc(n2)Nc3cccc(c3)CO)C=C(C1=O)c4c
    (cccc4Cl)Cl; Clc4cccc(Cl)c4C3=Cc1c(nc(nc
    1)Nc2cc(ccc2)CO)N(C3=O)C; CN1C(=O)C(=Cc2
    cnc(Nc3cccc(CO)c3)nc12)c4c(Cl)cccc4Cl    		 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE;
    PD166326
    31710
    P17
    CHEMBL386051
    DB02567
    ZINC000002047743    		 3 C21 H16 Cl2 N4 O S InChI=1S/C21H16Cl2N4OS/c1
    -27-19-12(9-15(20(27)28)1
    8-16(22)7-4-8-17(18)23)11
    -24-21(26-19)25-13-5-3-6-
    14(10-13)29-2/h3-11H,1-2H
    3,(H,24,25,26);
    VAARYSWULJUGST-UHFFFAOYSA-N    		 CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c
    (cccc4Cl)Cl; CSc1cccc(Nc2ncc3C=C(C(=O)N(
    C)c3n2)c4c(Cl)cccc4Cl)c1; Clc4cccc(Cl)c4
    C3=Cc1c(nc(nc1)Nc2cccc(SC)c2)N(C3=O)C    		 6-(2,6-DICHLORO-PHENYL)-8-METHYL-2-(3-METHYLSULFANYL-PHENYLAMINO)-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE;
    PD173955
    31711
    P18
    ZINC000016887440    		 1 C9 H10 O2 InChI=1S/C9H10O2/c10-7-6-
    9(11)8-4-2-1-3-5-8/h1-5,1
    0H,6-7H2;
    PQCFUZMQHVIOSM-UHFFFAOYSA-N    		 c1ccc(cc1)C(=O)CCO; O=C(c1ccccc1)CCO; OC
    CC(=O)c1ccccc1    		 3-hydroxy-1-phenylpropan-1-one
    31712
    P19
    CHEMBL231095
    DB08340
    ZINC000016052396    		 1 C17 H14 N6 InChI=1S/C17H14N6/c1-3-7-
    13(8-4-1)19-16-21-15-11-1
    2-18-23(15)17(22-16)20-14
    -9-5-2-6-10-14/h1-12H,(H2
    ,19,20,21,22);
    LLYYAUZAGCZEKV-UHFFFAOYSA-N    		 N(c1ccccc1)c2nc(Nc3ccccc3)n4nccc4n2; n2c
    1ccnn1c(nc2Nc3ccccc3)Nc4ccccc4; c1ccc(cc
    1)Nc2nc3ccnn3c(n2)Nc4ccccc4    		 N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE
    31713
    P1A
    CHEMBL549789
    ZINC000004097822    		 8 C27 H44 O6 InChI=1S/C27H44O6/c1-15(2
    )6-7-23(31)26(5,32)22-9-1
    1-27(33)17-12-19(28)18-13
    -20(29)21(30)14-24(18,3)1
    6(17)8-10-25(22,27)4/h12,
    15-16,18,20-23,29-33H,6-1
    1,13-14H2,1-5H3/t16-,18-,
    20+,21-,22-,23+,24+,25+,2
    6+,27+/m0/s1;
    PJYYBCXMCWDUAZ-JJJZTNILSA-N    		 CC(C)CCC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C
    3(CC(C(C4)O)O)C)C)O)O)O; CC(C)CC[C@H]([C
    @@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=
    CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O
    )C)C)O)O)O; CC(C)CC[CH](O)[C](C)(O)[CH]1
    CC[C]2(O)C3=CC(=O)[CH]4C[CH](O)[CH](O)C[
    C]4(C)[CH]3CC[C]12C; O=C1C=C3C(C2(CC(O)C
    (O)CC12)C)CCC4(C)C(C(O)(C)C(O)CCC(C)C)CC
    C34O; CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC
    [C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H
    ](O)C[C@]4(C)[C@H]3CC[C@]12C    		 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE;
    PONASTERONE A;
    25-DEOXYECDYSTERONE;
    25-DEOXY-20-HYDROXYECDYSONE,
    31714
    P1B
    ZINC000000968327    		 5 C19 H20 N2 O3 S InChI=1S/C19H20N2O3S/c1-2
    -13-3-6-15(20-12-13)9-10-
    24-16-7-4-14(5-8-16)11-17
    -18(22)21-19(23)25-17/h3-
    8,12,17H,2,9-11H2,1H3,(H,
    21,22,23)/t17-/m1/s1;
    HYAFETHFCAUJAY-QGZVFWFLSA-N    		 CCc1ccc(nc1)CCOc2ccc(cc2)C[C@@H]3C(=O)NC
    (=O)S3; CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC
    3=O)cc2)nc1; O=C1NC(=O)SC1Cc3ccc(OCCc2nc
    c(cc2)CC)cc3; CCc1ccc(nc1)CCOc2ccc(cc2)C
    C3C(=O)NC(=O)S3; CCc1ccc(CCOc2ccc(C[CH]3
    SC(=O)NC3=O)cc2)nc1    		 (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione;
    PIOGLITAZONE
    31715
    P1C
    DB03938    		 2 C14 H19 N3 O6 S InChI=1S/C14H19N3O6S/c1-6
    -5-24-12-9(11(19)17(12)10
    (6)14(22)23)16-8(18)4-2-3
    -7(15)13(20)21/h7,9,12H,2
    -5,15H2,1H3,(H,16,18)(H,2
    0,21)(H,22,23)/t7-,9-,12-
    /m1/s1;
    NNQIJOYQWYKBOW-JWKOBGCHSA-N    		 CC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)N)SC1
    )C(=O)O; CC1=C(N2[C@@H]([C@@H](C2=O)NC(=
    O)CCC[C@H](C(=O)O)N)SC1)C(=O)O; O=C2N1C(
    =C(CSC1C2NC(=O)CCCC(C(=O)O)N)C)C(=O)O; C
    C1=C(N2[CH](SC1)[CH](NC(=O)CCC[CH](N)C(O
    )=O)C2=O)C(O)=O; CC1=C(N2[C@H](SC1)[C@H]
    (NC(=O)CCC[C@@H](N)C(O)=O)C2=O)C(O)=O    		 DEACETOXYCEPHALOSPORIN-C
    31716
    P1D
    DB04753
    ZINC000012504494    		 1 C13 H16 N3 O8 P InChI=1S/C13H16N3O8P/c17-
    2-6-11-12(24-7(23-11)3-25
    (19,20)21)10(22-6)5-1-14-
    9-8(5)15-4-16-13(9)18/h1,
    4,6-7,10-12,14,17H,2-3H2,
    (H,15,16,18)(H2,19,20,21)
    /t6-,7-,10+,11-,12+/m1/s1;
    ZOEDLCUBOBTIHG-USQSKNHBSA-N    		 OC[CH]1O[CH]([CH]2O[CH](C[P](O)(O)=O)O[C
    H]12)c3c[nH]c4C(=O)NC=Nc34; O=C1NC=Nc2c1
    ncc2C3OC(C4OC(OC34)CP(=O)(O)O)CO; c1c(c2
    c([nH]1)C(=O)NC=N2)C3C4C(C(O3)CO)OC(O4)C
    P(=O)(O)O; c1c(c2c([nH]1)C(=O)NC=N2)[C@H
    ]3[C@H]4[C@@H]([C@H](O3)CO)O[C@H](O4)CP(
    =O)(O)O; OC[C@H]1O[C@H]([C@@H]2O[C@H](C[
    P](O)(O)=O)O[C@H]12)c3c[nH]c4C(=O)NC=Nc3
    4    		 ((2S,3AS,4R,6S)-4-(HYDROXYMETHYL)-6-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-TETRAHYDROFURO[3,4-D][1,3]DIOXO L-2-YL)METHYLPHOSPHONIC ACID;
    9-DEAZAINOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE
    31717
    P1E
    CHEMBL509485
    DB08341
    ZINC000040847257    		 5 C19 H25 F3 N6 O2 S InChI=1S/C19H25F3N6O2S/c1
    -23-31(29,30)13-9-7-12(8-
    10-13)25-18-24-11-14(19(2
    0,21)22)17(27-18)26-15-5-
    4-6-16(15)28(2)3/h7-11,15
    -16,23H,4-6H2,1-3H3,(H2,2
    4,25,26,27)/t15-,16-/m1/s
    1;
    CAUFYHKGKDJMQG-HZPDHXFCSA-N    		 CN[S](=O)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[
    C@H]3N(C)C)n2)C(F)(F)F)cc1; O=S(=O)(NC)c
    1ccc(cc1)Nc2nc(c(cn2)C(F)(F)F)NC3CCCC3N(
    C)C; CNS(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)NC
    3CCCC3N(C)C)C(F)(F)F; CNS(=O)(=O)c1ccc(c
    c1)Nc2ncc(c(n2)N[C@@H]3CCC[C@H]3N(C)C)C(
    F)(F)F; CN[S](=O)(=O)c1ccc(Nc2ncc(c(N[CH
    ]3CCC[CH]3N(C)C)n2)C(F)(F)F)cc1    		 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide
    31718
    P1F
    CHEMBL264434
    ZINC000029049928    		 8 C18 H23 N O2 InChI=1S/C18H23NO2/c1-2-3
    -4-5-8-14-11-12-18(16(20)
    13-14)21-17-10-7-6-9-15(1
    7)19/h6-7,9-13,20H,2-5,8,
    19H2,1H3;
    UGZFBZMADDXZRA-UHFFFAOYSA-N    		 CCCCCCc1ccc(c(c1)O)Oc2ccccc2N; CCCCCCc1c
    cc(Oc2ccccc2N)c(O)c1; O(c1c(N)cccc1)c2cc
    c(cc2O)CCCCCC    		 2-(2-azanylphenoxy)-5-hexyl-phenol
    31719
    P1G
    DB04754
    ZINC000012504495    		 1 C12 H16 N5 O8 P InChI=1S/C12H16N5O8P/c13-
    12-15-9-6(10(19)16-12)14-
    3-17(9)11-8-7(4(1-18)23-1
    1)24-5(25-8)2-26(20,21)22
    /h3-5,7-8,11,18H,1-2H2,(H
    2,20,21,22)(H3,13,15,16,1
    9)/t4-,5-,7-,8-,11-/m1/s1;
    HYAPEMYRVFIHDJ-QWEIRQIHSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH]4
    O[CH](C[P](O)(O)=O)O[CH]34; NC1=Nc2n(cnc
    2C(=O)N1)[C@@H]3O[C@H](CO)[C@H]4O[C@@H](
    C[P](O)(O)=O)O[C@@H]34; c1nc2c(n1C3C4C(C
    (O3)CO)OC(O4)CP(=O)(O)O)N=C(NC2=O)N; c1n
    c2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C
    @H](O4)CP(=O)(O)O)N=C(NC2=O)N; O=C4NC(=N
    c1c4ncn1C3OC(C2OC(OC23)CP(=O)(O)O)CO)N    		 ((2R,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YL)METHYLPHOSPHONIC ACID;
    GUANOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE
    31720
    P1H
    ZINC000087515347    		 4 C30 H38 N8 O15 P2 InChI=1S/C30H38N8O15P2/c1
    -2-3-15-8-14(4-6-33-15)21
    (39)16-5-7-37(9-17(16)27(
    32)44)29-24(42)22(40)18(5
    1-29)10-49-54(45,46)53-55
    (47,48)50-11-19-23(41)25(
    43)30(52-19)38-13-36-20-2
    6(31)34-12-35-28(20)38/h4
    -9,12-13,16,18-19,22-25,2
    9-30,40-43H,2-3,10-11H2,1
    H3,(H2,32,44)(H,45,46)(H,
    47,48)(H2,31,34,35)/t16-,
    18+,19+,22+,23+,24+,25+,2
    9+,30+/m0/s1;
    INZZWAGIWIYXKO-NNTKUHMYSA-N    		 CCCc1cc(ccn1)C(=O)[CH]2C=CN(C=C2C(N)=O)[
    CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4
    O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH
    ](O)[CH]3O; CCCc1cc(ccn1)C(=O)[C@H]2C=CN
    (C=C2C(N)=O)[C@@H]3O[C@H](CO[P@@](O)(=O)
    O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@
    H]4O)n5cnc6c(N)ncnc56)[C@@H](O)[C@H]3O;
    CCCc1cc(ccn1)C(=O)[C@H]2C=CN(C=C2C(=O)N)
    [C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(
    O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H
    ](O4)n5cnc6c5ncnc6N)O)O)O)O; CCCc1cc(ccn
    1)C(=O)C2C=CN(C=C2C(=O)N)C3C(C(C(O3)COP(
    =O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc
    6N)O)O)O)O    		 {(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-PROPYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}M ETHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE;
    2-PROPYL-ISONICOTINIC-ACYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
    31721
    P1J
    ZINC000001087986    		 2 C8 H9 N3 O5 InChI=1S/C8H9N3O5/c12-5-3
    -4(10-8(16)11-5)7(15)9-2-
    1-6(13)14/h3H,1-2H2,(H,9,
    15)(H,13,14)(H2,10,11,12,
    16);
    HLVBXSGXJVQJGW-UHFFFAOYSA-N    		 OC(=O)CCNC(=O)C1=CC(=O)NC(=O)N1; C(C(O)=
    O)CNC(C=1NC(=O)NC(C=1)=O)=O; C1=C(NC(=O)
    NC1=O)C(=O)NCCC(=O)O    		 N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alanine
    31722
    P1K    		 4 C6 H11 B F3 N4 O7 P S InChI=1S/C6H11BF3N4O7PS/c
    8-6(9,10)3-23(19,20)11-1-
    5-2-14(13-12-5)4-7(15)21-
    22(16,17)18/h2,11,15H,1,3
    -4H2,(H2,16,17,18);
    VRNTWRQJSAWSEY-UHFFFAOYSA-N    		 OB(Cn1cc(CN[S](=O)(=O)CC(F)(F)F)nn1)O[P]
    (O)(O)=O; B(Cn1cc(nn1)CNS(=O)(=O)CC(F)(F
    )F)(O)OP(=O)(O)O    		 phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid
    31723
    P1L
    DB08342
    ZINC000053683097    		 0 C19 H37 N O3 S InChI=1S/C19H37NO3S/c1-2-
    3-4-5-6-7-8-9-10-11-12-13
    -14-15-18(21)24-16-17(20)
    19(22)23/h17H,2-16,20H2,1
    H3,(H,22,23)/t17-/m0/s1;
    FRAMWPHPFIXRCP-KRWDZBQOSA-N    		 CCCCCCCCCCCCCCCC(=O)SCC(C(=O)O)N; CCCCCC
    CCCCCCCCCC(=O)SC[CH](N)C(O)=O; CCCCCCCCC
    CCCCCCC(=O)SC[C@@H](C(=O)O)N; O=C(O)C(N)
    CSC(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC
    (=O)SC[C@H](N)C(O)=O    		 S-PALMITOYL-L-CYSTEINE
    31724
    P1M    		 4 C15 H21 Br N2 InChI=1S/C15H21BrN2/c1-18
    -12-5-4-6-13(18)10-11(9-1
    2)17-15-8-3-2-7-14(15)16/
    h2-3,7-8,11-13,17H,4-6,9-
    10H2,1H3/t11-,12+,13-;
    UZJWAFOJOSGEKL-CLLJXQQHSA-N    		 CN1C2CCCC1CC(C2)Nc3ccccc3Br; CN1[C@@H]2C
    CC[C@H]1CC(C2)Nc3ccccc3Br; C2(CC1CCCC(N1
    C)C2)Nc3c(Br)cccc3; CN1[C@@H]2CCC[C@H]1C
    [C@H](C2)Nc3ccccc3Br; CN1[CH]2CCC[CH]1C[
    CH](C2)Nc3ccccc3Br    		 (3-endo)-N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
    31725
    P1O
    ZINC000043352736    		 0 C28 H57 N O8 P InChI=1S/C28H56NO8P/c1-6-
    8-10-12-14-16-18-20-27(30
    )34-24-26(25-36-38(32,33)
    35-23-22-29(3,4)5)37-28(3
    1)21-19-17-15-13-11-9-7-2
    /h26H,6-25H2,1-5H3/p+1/t2
    6-/m1/s1;
    MLKLDGSYMHFAOC-AREMUKBSSA-O    		 CCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+]
    (C)(C)C)OC(=O)CCCCCCCCC; O=C(OC(COP(=O)(
    OCC[N+](C)(C)C)O)COC(=O)CCCCCCCCC)CCCCCC
    CCC; CCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+]
    (C)(C)C)OC(=O)CCCCCCCCC; CCCCCCCCCC(=O)O
    C[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O
    )CCCCCCCCC; CCCCCCCCCC(=O)OC[C@H](CO[P@@
    ](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC    		 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
    31726
    P1P    		 0 C3 H6 O4 P InChI=1S/C3H6O4P/c4-2-1-3
    -7-8(5)6/h1-3H2/q-1;
    GVQSIYRMPBGDCV-UHFFFAOYSA-N    		 [O-][PH2+](=O)OCCC[O-]; [O-]CCCO[P+]([O-
    ])=O; C(C[O-])CO[P+](=O)[O-]    		 3-{[OXIDO(OXO)PHOSPHINO]OXY}PROPAN-1-OLATE;
    PROPYL-1-PHOSPHATE
    31727
    P1Q    		 1 C15 H22 Cl N O3 InChI=1S/C15H22ClNO3/c1-1
    1-9-20-15(12-4-3-5-13(16)
    6-12)8-17(11)7-14(18)10-1
    9-2/h3-6,11,14-15,18H,7-1
    0H2,1-2H3/t11-,14?,15-/m0
    /s1;
    TXSZONYEDFRDCI-NGKXAEKTSA-N    		 COCC(O)CN1C[CH](OC[CH]1C)c2cccc(Cl)c2; C
    C1COC(CN1CC(COC)O)c2cccc(c2)Cl; C[C@H]1C
    O[C@@H](CN1CC(COC)O)c2cccc(c2)Cl; COCC(O
    )CN1C[C@H](OC[C@@H]1C)c2cccc(Cl)c2    		 1-[(2~{R},5~{S})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol
    31728
    P1R
    CHEMBL15562
    ZINC000000895216    		 1 C4 H4 N2 InChI=1S/C4H4N2/c1-2-5-4-
    6-3-1/h1-4H;
    CZPWVGJYEJSRLH-UHFFFAOYSA-N    		 c1cncnc1; n1cccnc1 PYRIMIDINE
    31729
    P1S
    ZINC000016051733    		 1 C17 H14 O6 InChI=1S/C17H14O6/c18-6-9
    -1-2-10-12(3-9)20-7-17(19
    )11-4-14-15(22-8-21-14)5-
    13(11)23-16(10)17/h1-5,16
    ,18-19H,6-8H2/t16-,17+/m1
    /s1;
    JIYYREVJSFXTSG-SJORKVTESA-N    		 OCc1ccc2[CH]3Oc4cc5OCOc5cc4[C]3(O)COc2c1
    ; O3c2cc1OCOc1cc2C4(O)C3c5ccc(cc5OC4)CO;
    c1cc2c(cc1CO)OC[C@]3([C@@H]2Oc4c3cc5c(c
    4)OCO5)O; c1cc2c(cc1CO)OCC3(C2Oc4c3cc5c(
    c4)OCO5)O; OCc1ccc2[C@H]3Oc4cc5OCOc5cc4[
    C@@]3(O)COc2c1    		 (6AR,12AR)-3-(HYDROXYMETHYL)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-C]CHROMEN-6A(12AH)-OL;
    PISATIN
    31730
    P1T
    ZINC000103552502    		 73 C11 H15 N2 O7 P InChI=1S/C11H15N2O7P/c1-6
    -10(14)9(4-13-7(2)11(15)1
    6)8(3-12-6)5-20-21(17,18)
    19/h3,13-14H,2,4-5H2,1H3,
    (H,15,16)(H2,17,18,19);
    BXUDKFHCAMQSRX-UHFFFAOYSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O
    ; Cc1ncc(CO[P](O)(O)=O)c(CNC(=C)C(O)=O)c
    1O; O=P(O)(O)OCc1cnc(c(O)c1CNC(=C)/C(=O)
    O)C    		 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID
    31731
    P1U    		 3 C11 H7 Cl O3 InChI=1S/C11H7ClO3/c12-8-
    3-1-7(2-4-8)9-5-6-10(15-9
    )11(13)14/h1-6H,(H,13,14);
    XIPQHWUSDHTXOO-UHFFFAOYSA-N    		 OC(=O)c1oc(cc1)c2ccc(Cl)cc2; OC(=O)c1ccc
    (o1)c1ccc(Cl)cc1; c1cc(ccc1c2ccc(o2)C(=O
    )O)Cl    		 5-(4-chlorophenyl)furan-2-carboxylic acid
    31732
    P1V    		 0 C9 H16 N4 O2 InChI=1S/C9H16N4O2/c1-6-1
    1-8(13-12-6)5-3-2-4-7(10)
    9(14)15/h7H,2-5,10H2,1H3,
    (H,14,15)(H,11,12,13)/t7-
    /m0/s1;
    BIBVPKMXAKDABB-ZETCQYMHSA-N    		 Cc1[nH]nc(n1)CCCC[C@@H](C(=O)O)N; Cc1[nH
    ]nc(CCCC[C@H](N)C(O)=O)n1; Cc1[nH]nc(n1)
    CCCCC(C(=O)O)N; Cc1[nH]nc(CCCC[CH](N)C(O
    )=O)n1    		 (2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid
    31733
    P1W
    CHEMBL3184952
    ZINC000000897129    		 0 C5 H10 O InChI=1S/C5H10O/c1-5(2)3-
    4-6/h3,6H,4H2,1-2H3;
    ASUAYTHWZCLXAN-UHFFFAOYSA-N    		 CC(=CCO)C; CC(C)=CCO 3-methylbut-2-en-1-ol
    31734
    P1X    		 1 C19 H18 Cl N5 O4 InChI=1S/C19H18ClN5O4/c20
    -14-5-3-12(4-6-14)2-1-7-2
    5-11-15(23-24-25)13-8-16(
    26)18(21-9-13)19(29)22-10
    -17(27)28/h3-6,8-9,11,26H
    ,1-2,7,10H2,(H,22,29)(H,2
    7,28);
    RODNKCMKPZCZKG-UHFFFAOYSA-N    		 OC(=O)CNC(=O)c1ncc(cc1O)c2cn(CCCc3ccc(Cl
    )cc3)nn2; c1cc(ccc1CCCn2cc(nn2)c3cc(c(nc
    3)C(=O)NCC(=O)O)O)Cl    		 2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid;
    (5-(1-(3-(4-chlorophenyl)propyl)-1H-1,2,3-triazol-4-yl)-3-hydroxypicolinoyl)glycine
    31735
    P1Y
    CHEMBL572124
    ZINC000043022979    		 1 C13 H11 Br N2 O5 InChI=1S/C13H11BrN2O5/c1-
    21-8-3-2-6(4-7(8)14)5-9-1
    5-10(13(19)20)11(17)12(18
    )16-9/h2-4,17H,5H2,1H3,(H
    ,19,20)(H,15,16,18);
    LQQYBZYFFRDXNT-UHFFFAOYSA-N    		 COc1ccc(cc1Br)Cc2nc(c(c(n2)O)O)C(=O)O; O
    =C(O)c1nc(nc(O)c1O)Cc2cc(Br)c(OC)cc2; CO
    c1ccc(Cc2nc(O)c(O)c(n2)C(O)=O)cc1Br    		 2-(3-bromo-4-methoxybenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid
    31736
    P1Z
    CHEMBL101
    DB00812
    ZINC000100004227    		 12 C19 H20 N2 O2 InChI=1S/C19H20N2O2/c1-2-
    3-14-17-18(22)20(15-10-6-
    4-7-11-15)21(19(17)23)16-
    12-8-5-9-13-16/h4-13,17H,
    2-3,14H2,1H3;
    VYMDGNCVAMGZFE-UHFFFAOYSA-N    		 O=C2N(c1ccccc1)N(C(=O)C2CCCC)c3ccccc3; C
    CCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3    		 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE
    31737
    P20
    ZINC000016051730    		 3 C10 H12 Cl N3 O2 S InChI=1S/C10H12ClN3O2S/c1
    1-8-2-1-5(14-10(12)13)3-6
    (8)7(4-17)9(15)16/h1-3,7,
    17H,4H2,(H,15,16)(H4,12,1
    3,14)/t7-/m1/s1;
    DDXTYELBFUMBFH-SSDOTTSWSA-N    		 c1cc(c(cc1NC(=N)N)[C@@H](CS)C(=O)O)Cl; C
    lc1ccc(cc1C(C(=O)O)CS)NC(=[N@H])N; c1cc(
    c(cc1NC(=N)N)C(CS)C(=O)O)Cl; NC(=N)Nc1cc
    c(Cl)c(c1)[CH](CS)C(O)=O; NC(=N)Nc1ccc(C
    l)c(c1)[C@@H](CS)C(O)=O    		 2-(5-{[AMINO(IMINO)METHYL]AMINO}-2-CHLOROPHENYL)-3-SULFANYLPROPANOIC ACID
    31738
    P21
    DB08344
    ZINC000016052597    		 1 C24 H31 Cl N2 O2 InChI=1S/C24H31ClN2O2/c1-
    29-18-6-16-27(24(28)21-10
    -12-22(25)13-11-21)23-9-5
    -15-26(19-23)17-14-20-7-3
    -2-4-8-20/h2-4,7-8,10-13,
    23H,5-6,9,14-19H2,1H3/t23
    -/m0/s1;
    OOUGHDJEJNMXSV-QHCPKHFHSA-N    		 COCCCN([C@H]1CCCN(CCc2ccccc2)C1)C(=O)c3c
    cc(Cl)cc3; Clc1ccc(cc1)C(=O)N(C3CCCN(CCc
    2ccccc2)C3)CCCOC; COCCCN(C1CCCN(C1)CCc2c
    cccc2)C(=O)c3ccc(cc3)Cl; COCCCN([C@H]1CC
    C[N@](C1)CCc2ccccc2)C(=O)c3ccc(cc3)Cl; C
    OCCCN([CH]1CCCN(CCc2ccccc2)C1)C(=O)c3ccc
    (Cl)cc3    		 4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide
    31739
    P22
    DB01798
    ZINC000012501104    		 0 C2 H8 O7 P2 InChI=1S/C2H8O7P2/c1-2-8-
    11(6,7)9-10(3,4)5/h2H2,1H
    3,(H,6,7)(H2,3,4,5);
    OJDJHGIXNZPZFD-UHFFFAOYSA-N    		 CCO[P@@](O)(=O)O[P](O)(O)=O; CCO[P](O)(=
    O)O[P](O)(O)=O; CCOP(=O)(O)OP(=O)(O)O; C
    CO[P@](=O)(O)OP(=O)(O)O; O=P(OP(=O)(O)OC
    C)(O)O    		 ETHYL DIHYDROGEN DIPHOSPHATE
    31740
    P23
    DB01679    		 4 C3 H10 O7 P2 InChI=1S/C3H10O7P2/c1-2-3
    -9-12(7,8)10-11(4,5)6/h2-
    3H2,1H3,(H,7,8)(H2,4,5,6);
    JCWMAIAFQQTSAX-UHFFFAOYSA-N    		 CCCO[P@](O)(=O)O[P](O)(O)=O; O=P(O)(OP(=
    O)(OCCC)O)O; CCCOP(=O)(O)OP(=O)(O)O; CCC
    O[P@@](=O)(O)OP(=O)(O)O; CCCO[P](O)(=O)O
    [P](O)(O)=O    		 PROPYL TRIHYDROGEN DIPHOSPHATE
    31741
    P24
    ZINC000019369339    		 0 C6 H17 N3 InChI=1S/C6H17N3/c7-3-1-2
    -5-9-6-4-8/h9H,1-8H2;
    VRPPEXGZBZBARW-UHFFFAOYSA-N    		 C(CCNCCN)CN; NCCCCNCCN 1-(AMINOETHYL)AMINO-4-AMINOBUTANE;
    PA(24)
    31742
    P25
    DB02707
    ZINC000012502488    		 0 C5 H14 O7 P2 InChI=1S/C5H14O7P2/c1-2-3
    -4-5-11-14(9,10)12-13(6,7
    )8/h2-5H2,1H3,(H,9,10)(H2
    ,6,7,8);
    VFFCVKZHJFIUBM-UHFFFAOYSA-N    		 CCCCCOP(=O)(O)OP(=O)(O)O; CCCCCO[P](O)(=
    O)O[P](O)(O)=O; CCCCCO[P@@](=O)(O)OP(=O)
    (O)O; CCCCCO[P@](O)(=O)O[P](O)(O)=O; O=P
    (OP(=O)(OCCCCC)O)(O)O    		 PENTYL TRIHYDROGEN DIPHOSPHATE
    31743
    P26
    ZINC000039035256    		 1 C23 H26 O4 InChI=1S/C23H26O4/c1-21(2
    )14-22(3,4)19-13-17(9-10-
    18(19)21)23(26-11-12-27-2
    3)16-7-5-15(6-8-16)20(24)
    25/h5-10,13H,11-12,14H2,1
    -4H3,(H,24,25);
    ISZBCQLHSNHWLM-UHFFFAOYSA-N    		 CC1(CC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=
    O)O)(C)C)C; CC1(C)CC(C)(C)c2cc(ccc12)C3(
    OCCO3)c4ccc(cc4)C(O)=O; O=C(O)c1ccc(cc1)
    C2(OCCO2)c3ccc4c(c3)C(C)(C)CC4(C)C    		 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid
    31744
    P27
    CHEMBL267048
    DB02651
    ZINC000024787833    		 1 C29 H23 F6 N3 O6 P2 InChI=1S/C29H23F6N3O6P2/c
    30-23-14-13-22(15-24(23)3
    1)27(38-26-4-2-1-3-25(26)
    36-37-38,16-18-5-9-20(10-
    6-18)28(32,33)45(39,40)41
    )17-19-7-11-21(12-8-19)29
    (34,35)46(42,43)44/h1-15H
    ,16-17H2,(H2,39,40,41)(H2
    ,42,43,44);
    BTAGTGWPDROBMG-UHFFFAOYSA-N    		 O[P](O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(
    F)(F)[P](O)(O)=O)(n3nnc4ccccc34)c5ccc(F)
    c(F)c5)cc1; c1ccc2c(c1)nnn2C(Cc3ccc(cc3)
    C(F)(F)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O
    )(O)O)c5ccc(c(c5)F)F; FC(F)(c1ccc(cc1)CC
    (c2ccc(F)c(F)c2)(n4nnc3ccccc34)Cc5ccc(cc
    5)C(F)(F)P(=O)(O)O)P(=O)(O)O    		 {[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-2-(3,4-DIFLUOROPHENYL)PROPANE-1,3-DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID)
    31745
    P28
    DB03239
    ZINC000002043134    		 2 C17 H15 N3 O9 InChI=1S/C17H15N3O9/c1-9(
    21)18-13(17(23)24)6-10-2-
    4-11(5-3-10)29-12-7-14(19
    (25)26)16(22)15(8-12)20(2
    7)28/h2-5,7-8,13,22H,6H2,
    1H3,(H,18,21)(H,23,24)/t1
    3-/m0/s1;
    VZSQTOXQXPKQJX-ZDUSSCGKSA-N    		 CC(=O)NC(Cc1ccc(cc1)Oc2cc(c(c(c2)[N+](=O
    )[O-])O)[N+](=O)[O-])C(=O)O; CC(=O)N[C@@
    H](Cc1ccc(Oc2cc(c(O)c(c2)[N+]([O-])=O)[N
    +]([O-])=O)cc1)C(O)=O; CC(=O)N[CH](Cc1cc
    c(Oc2cc(c(O)c(c2)[N+]([O-])=O)[N+]([O-])
    =O)cc1)C(O)=O; CC(=O)N[C@@H](Cc1ccc(cc1)
    Oc2cc(c(c(c2)[N+](=O)[O-])O)[N+](=O)[O-]
    )C(=O)O; O=[N+]([O-])c2cc(Oc1ccc(cc1)CC(
    C(=O)O)NC(=O)C)cc([N+]([O-])=O)c2O    		 3',5'-DINITRO-N-ACETYL-L-THYRONINE
    31746
    P29
    CHEMBL389767
    DB08345
    ZINC000016052401    		 1 C17 H15 N9 InChI=1S/C17H15N9/c18-8-1
    2-9-22-26-15(12)24-16(23-
    13-4-2-1-3-5-13)25-17(26)
    20-7-6-14-10-19-11-21-14/
    h1-5,9-11H,6-7H2,(H,19,21
    )(H2,20,23,24,25);
    IWUUKHQIKFHWIW-UHFFFAOYSA-N    		 N#Cc1cnn2c(NCCc3[nH]cnc3)nc(Nc4ccccc4)nc
    12; c1ccc(cc1)Nc2nc3c(cnn3c(n2)NCCc4cnc[
    nH]4)C#N; N#Cc4cnn1c4nc(nc1NCCc2cncn2)Nc
    3ccccc3    		 4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE
    31747
    P2A
    ZINC000002012449    		 0 C7 H13 O8 P InChI=1S/C7H13O8P/c1-5(8)
    13-3-7(15-6(2)9)4-14-16(1
    0,11)12/h7H,3-4H2,1-2H3,(
    H2,10,11,12)/t7-/m1/s1;
    GYIRJTRGVDOQDH-SSDOTTSWSA-N    		 CC(=O)OCC(COP(=O)(O)O)OC(=O)C; O=P(O)(OC
    C(OC(=O)C)COC(=O)C)O; CC(=O)OC[CH](CO[P]
    (O)(O)=O)OC(C)=O; CC(=O)OC[C@H](CO[P](O)
    (O)=O)OC(C)=O; CC(=O)OC[C@H](COP(=O)(O)O
    )OC(=O)C    		 1,2-DIETHANOYL-SN-GLYCERO-3-PHOSPHATE
    31748
    P2B
    CHEMBL1290743
    ZINC000038792908    		 1 C19 H19 N5 O2 InChI=1S/C19H19N5O2/c25-1
    6-5-1-3-14(11-16)17-12-18
    (21-15-4-2-6-20-13-15)23-
    19(22-17)24-7-9-26-10-8-2
    4/h1-6,11-13,25H,7-10H2,(
    H,21,22,23);
    VPAXYWZGMCIWNR-UHFFFAOYSA-N    		 Oc1cccc(c1)c2cc(Nc3cccnc3)nc(n2)N4CCOCC4
    ; c1cc(cc(c1)O)c2cc(nc(n2)N3CCOCC3)Nc4cc
    cnc4; n2c(Nc1cccnc1)cc(nc2N3CCOCC3)c4ccc
    c(O)c4    		 3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
    31749
    P2C
    DB04756
    ZINC000014881299    		 6 C13 H9 Cl2 N O5 InChI=1S/C13H9Cl2NO5/c14-
    9-5-7(6-10(15)12(9)20-21-
    19)16-11-4-2-1-3-8(11)13(
    17)18/h1-6,16,19H,(H,17,1
    8);
    SNAMTVTZDPUVRA-UHFFFAOYSA-N    		 c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OOO)Cl
    ; Clc1cc(cc(Cl)c1OOO)Nc2ccccc2C(=O)O; OO
    Oc1c(Cl)cc(Nc2ccccc2C(O)=O)cc1Cl    		 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID;
    2-[3,5-DICHLORO-4-(2-{2-[2(2-MERCAPTOETHOXY)ETHOXY]ETHOXY}ETHOXY)PHENYLAMINO]BENZOIC ACID
    31750
    P2D
    CHEMBL191625
    ZINC000004720638    		 6 C5 H8 O2 InChI=1S/C5H8O2/c1-4(6)3-
    5(2)7/h3H2,1-2H3;
    YRKCREAYFQTBPV-UHFFFAOYSA-N    		 CC(=O)CC(C)=O; CC(=O)CC(=O)C; O=C(C)CC(=
    O)C    		 pentane-2,4-dione
    31751
    P2E
    CHEMBL548
    DB00917
    ZINC000003830713    		 12 C20 H32 O5 InChI=1S/C20H32O5/c1-2-3-
    6-9-15(21)12-13-17-16(18(
    22)14-19(17)23)10-7-4-5-8
    -11-20(24)25/h4,7,12-13,1
    5-17,19,21,23H,2-3,5-6,8-
    11,14H2,1H3,(H,24,25)/b7-
    4-,13-12+/t15-,16+,17+,19
    +/m0/s1;
    XEYBRNLFEZDVAW-ARSRFYASSA-N    		 CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O;
    CCCCC[CH](O)C=C[CH]1[CH](O)CC(=O)[CH]1C
    C=CCCCC(O)=O; CCCCC[C@@H](\C=C\[C@H]1[C@
    @H](CC(=O)[C@@H]1C\C=C/CCCC(=O)O)O)O; CC
    CCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@
    H]1C\C=C/CCCC(O)=O; O=C1CC(O)C(/C=C/C(O)
    CCCCC)C1C\C=C/CCCC(=O)O    		 (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid;
    Prostaglandin E2
    31752
    P2F
    CHEMBL587764
    ZINC000049745031    		 6 C38 H52 N4 O6 S InChI=1S/C38H52N4O6S/c1-6
    -18-41(19-7-2)37(45)30-23
    -29(24-32(25-30)42-20-11-
    12-21-49(42,46)47)36(44)4
    0-34(22-28-14-9-8-10-15-2
    8)35(43)27-39-38(3,4)31-1
    6-13-17-33(26-31)48-5/h8-
    10,13-17,23-26,34-35,39,4
    3H,6-7,11-12,18-22,27H2,1
    -5H3,(H,40,44)/t34-,35+/m
    0/s1;
    KCQAMDDVQXZDMS-OIDHKYIRSA-N    		 CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCS2(=O)=O)
    C(=O)NC(Cc3ccccc3)C(CNC(C)(C)c4cccc(c4)O
    C)O; CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@
    H](Cc2ccccc2)[C@H](O)CNC(C)(C)c3cccc(OC)
    c3)N4CCCC[S]4(=O)=O; CCCN(CCC)C(=O)c1cc(
    cc(c1)N2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccc
    cc3)[C@@H](CNC(C)(C)c4cccc(c4)OC)O; O=S4
    (=O)N(c3cc(C(=O)NC(Cc1ccccc1)C(O)CNC(c2c
    ccc(OC)c2)(C)C)cc(C(=O)N(CCC)CCC)c3)CCCC
    4; CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[CH](C
    c2ccccc2)[CH](O)CNC(C)(C)c3cccc(OC)c3)N4
    CCCC[S]4(=O)=O    		 5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N3-[(2S,3R)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide
    31753
    P2G
    DB04757
    ZINC000012504496    		 1 C11 H14 N5 O8 P InChI=1S/C11H14N5O8P/c12-
    10-14-7-4(8(18)15-10)13-2
    -16(7)9-6-5(3(1-17)22-9)2
    3-11(24-6)25(19,20)21/h2-
    3,5-6,9,11,17H,1H2,(H2,19
    ,20,21)(H3,12,14,15,18)/t
    3-,5-,6-,9-,11+/m1/s1;
    GKAPYWCOOQBBHV-KXSYMAMXSA-N    		 c1nc2c(n1C3C4C(C(O3)CO)OC(O4)P(=O)(O)O)N
    =C(NC2=O)N; c1nc2c(n1[C@H]3[C@H]4[C@@H](
    [C@H](O3)CO)O[C@@H](O4)P(=O)(O)O)N=C(NC2
    =O)N; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H]
    (CO)[C@H]4O[C@@H](O[C@@H]34)[P](O)(O)=O;
    NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH]
    4O[CH](O[CH]34)[P](O)(O)=O; O=C4NC(=Nc1c
    4ncn1C3OC(C2OC(OC23)P(=O)(O)O)CO)N    		 (2S,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YLPHOSPHONI C ACID;
    GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE
    31754
    P2H
    CHEMBL196726
    ZINC000013643025    		 3 C13 H16 N O7 P2 InChI=1S/C13H15NO7P2/c15-
    13(22(16,17)18,23(19,20)2
    1)10-14-8-4-7-12(9-14)11-
    5-2-1-3-6-11/h1-9,15H,10H
    2,(H3-,16,17,18,19,20,21)
    /p+1;
    ZYEONEYSNIUGRA-UHFFFAOYSA-O    		 O=P(O)(O)C(O)(P(=O)(O)O)C[n+]2cccc(c1ccc
    cc1)c2; OC(C[n+]1cccc(c1)c2ccccc2)([P](O
    )(O)=O)[P](O)(O)=O; c1ccc(cc1)c2ccc[n+](
    c2)CC(O)(P(=O)(O)O)P(=O)(O)O    		 1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium
    31755
    P2I    		 0 C13 H22 O13 P InChI=1S/C13H23O13P/c1-5(
    14)23-3-7(25-6(2)15)4-24-
    27(21,22)26-13-11(19)9(17
    )8(16)10(18)12(13)20/h7-1
    3,16-20H,3-4H2,1-2H3,(H,2
    1,22)/p-1/t7-,8-,9-,10+,1
    1+,12-,13-/m0/s1;
    WCCWBLFRGXINLH-IKRGOOTDSA-M    		 O=C(OCC(OC(=O)C)COP([O-])(=O)OC1C(O)C(O)
    C(O)C(O)C1O)C; CC(=O)OCC(COP(=O)([O-])OC
    1C(C(C(C(C1O)O)O)O)O)OC(=O)C; CC(=O)OC[C
    @@H](CO[P@@](=O)([O-])OC1[C@H]([C@@H](C(
    [C@@H]([C@H]1O)O)O)O)O)OC(=O)C; CC(=O)OC
    [CH](CO[P]([O-])(=O)O[CH]1[CH](O)[CH](O)
    [CH](O)[CH](O)[CH]1O)OC(C)=O; CC(=O)OC[C
    @@H](CO[P]([O-])(=O)O[C@@H]1[C@@H](O)[C@
    H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(C)=O    		 1,2-DIACETOYL-SN-GLYCERO-3-PHOSPHOINOSITOL
    31756
    P2J    		 0 C19 H31 N7 O5 InChI=1S/C19H31N7O5/c1-2-
    3-4-6-25(7-5-11(20)19(29)
    30)8-12-14(27)15(28)18(31
    -12)26-10-24-13-16(21)22-
    9-23-17(13)26/h9-12,14-15
    ,18,27-28H,2-8,20H2,1H3,(
    H,29,30)(H2,21,22,23)/t11
    -,12-,14-,15+,18-/m0/s1;
    IZQBBTVZUZUZGN-VQYVRKMMSA-N    		 CCCCCN(CCC(C(=O)O)N)CC1C(C(C(O1)n2cnc3c2
    ncnc3N)O)O; CCCCCN(CC[C@@H](C(=O)O)N)C[C
    @H]1[C@@H]([C@H]([C@H](O1)n2cnc3c2ncnc3N
    )O)O; c2nc(N)c3ncn(C1OC(C(O)C1O)CN(CCC(C
    (O)=O)N)CCCCC)c3n2; CCCCCN(CC[C@H](N)C(O
    )=O)C[C@@H]1O[C@@H]([C@H](O)[C@H]1O)n2cn
    c3c(N)ncnc23; CCCCCN(CC[CH](N)C(O)=O)C[C
    H]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23    		 9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine
    31757
    P2K    		 0 C12 H26 O7 InChI=1S/C12H26O7/c13-1-3
    -15-5-7-17-9-11-19-12-10-
    18-8-6-16-4-2-14/h13-14H,
    1-12H2;
    IIRDTKBZINWQAW-UHFFFAOYSA-N    		 O(CCO)CCOCCOCCOCCOCCO; OCCOCCOCCOCCOCCOC
    CO; C(COCCOCCOCCOCCOCCO)O    		 POLYETHYLENE GLYCOL PEG2000
    31758
    P2L
    CHEMBL4072538
    ZINC000134330948    		 3 C11 H17 Cl N4 O InChI=1S/C11H17ClN4O/c1-1
    5-5-3-4-8(7-15)14-9-6-13-
    16(2)11(17)10(9)12/h6,8,1
    4H,3-5,7H2,1-2H3/t8-/m1/s
    1;
    LEPPHANDICKARV-MRVPVSSYSA-N    		 CN1CCC[CH](C1)NC2=C(Cl)C(=O)N(C)N=C2; CN
    1CCC[C@H](C1)NC2=C(Cl)C(=O)N(C)N=C2; CN1
    CCCC(C1)NC2=C(C(=O)N(N=C2)C)Cl; CN1CCC[C
    @H](C1)NC2=C(C(=O)N(N=C2)C)Cl    		 4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one
    31759
    P2M
    ZINC000000313574    		 2 C16 H14 N2 O2 S InChI=1S/C16H14N2O2S/c19-
    21(20,18-12-14-8-3-4-11-1
    7-14)16-10-5-7-13-6-1-2-9
    -15(13)16/h1-11,18H,12H2;
    LYUIYUXDRYTIOE-UHFFFAOYSA-N    		 c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccccn3; O=[
    S](=O)(NCc1ccccn1)c2cccc3ccccc23; O=S(=O
    )(NCc1ncccc1)c3c2ccccc2ccc3    		 N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
    31760
    P2N
    CHEMBL1235084
    DB08346
    ZINC000038443836    		 1 C17 H19 Cl O5 InChI=1S/C17H19ClO5/c18-1
    6-12-9-11(19)7-5-3-1-2-4-
    6-8-23-17(22)15(12)13(20)
    10-14(16)21/h2,4,10,20-21
    H,1,3,5-9H2/b4-2+;
    YUZYDHRGGDTZLG-DUXPYHPUSA-N    		 c1c(c2c(c(c1O)Cl)CC(=O)CCCCC=CCCOC2=O)O;
    Oc1cc(O)c2C(=O)OCC/C=C/CCCCC(=O)Cc2c1Cl
    ; O=C1OCCC=CCCCCC(=O)Cc2c1c(O)cc(O)c2Cl;
    c1c(c2c(c(c1O)Cl)CC(=O)CCCC\C=C\CCOC2=O
    )O; Oc1cc(O)c2C(=O)OCCC=CCCCCC(=O)Cc2c1C
    l    		 (5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE
    31761
    P2O
    ZINC000034632696    		 1 C6 H7 N O2 InChI=1S/C6H7NO2/c1-2-3-7
    -4-5-9-6(7)8/h1H,3-5H2;
    LLGPRHHHEVBUJY-UHFFFAOYSA-N    		 C#CCN1CCOC1=O; O=C1OCCN1CC#C 3-PROP-2-YN-1-YL-1,3-OXAZOLIDIN-2-ONE;
    1-(PROP-2-YNYL)-OXAZOLIDINE-2-ONE
    31762
    P2P
    DB02905
    ZINC000012502817    		 1 C10 H13 N4 O8 P InChI=1S/C10H13N4O8P/c15-
    6-5(2-21-23(18,19)20)22-9
    (7(6)16)14-3-12-8-4(14)1-
    11-10(17)13-8/h1,3,5-7,9,
    15-16H,2H2,(H,11,13,17)(H
    2,18,19,20)/t5-,6-,7-,9+/
    m1/s1;
    BVZASCINAVSQNO-PULFBKJNSA-N    		 c1c2c(ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)nc(
    n1)O; O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O
    )=O)n2cnc3nc(O)ncc23; O[C@H]1[C@@H](O)[C
    @H](O[C@@H]1CO[P](O)(O)=O)n2cnc3nc(O)ncc
    23; c1c2c(ncn2[C@@H]3[C@@H]([C@@H]([C@H]
    (O3)COP(=O)(O)O)O)O)nc(n1)O; O=P(O)(O)OC
    C3OC(n2cnc1nc(O)ncc12)C(O)C3O    		 N7-(5'-PHOSPHO-ALPHA-RIBOSYL)-2-HYDROXYPURINE;
    PHOSPHORIC ACID MONO-[3,4-DIHYDROXY-5-(5-HYDROXY-BENZOIMIDAZOL-1-YL)TETRAHYDRO-FURAN-2-YLMETHYL] ESTER
    31763
    P2Q
    ZINC000058650489    		 0 C20 H22 N2 O6 InChI=1S/C20H22N2O6/c21-1
    6(20(26)27)9-13-10-17(19(
    25)11-18(13)24)22-14(12-2
    3)5-4-8-28-15-6-2-1-3-7-1
    5/h1-7,10-12,14,16,22,24-
    25H,8-9,21H2,(H,26,27)/b5
    -4+/t14-,16-/m0/s1;
    KEYWGUHMZKSCTL-QNKPMFPBSA-N    		 c1ccc(cc1)OCC=CC(C=O)Nc2cc(c(cc2O)O)CC(C
    (=O)O)N; N[C@@H](Cc1cc(N[C@H](C=O)\C=C\C
    Oc2ccccc2)c(O)cc1O)C(O)=O; N[CH](Cc1cc(N
    [CH](C=O)C=CCOc2ccccc2)c(O)cc1O)C(O)=O;
    c1ccc(cc1)OC/C=C/[C@@H](C=O)Nc2cc(c(cc2O
    )O)C[C@@H](C(=O)O)N    		 2-hydroxy-5-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1yl]amino}-L-tyrosine;
    3-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1-yl]amino}-6-hydroxy-L-tyrosine
    31764
    P2R    		 1 C25 H26 N4 O2 InChI=1S/C25H26N4O2/c26-2
    4-10-8-17-6-5-16(13-21(17
    )28-24)15-27-25(31)18-7-9
    -23-20(14-18)19-3-1-2-4-2
    2(19)29(23)11-12-30/h5-10
    ,13-14,30H,1-4,11-12,15H2
    ,(H2,26,28)(H,27,31);
    KDIMVKXBQNTHIJ-UHFFFAOYSA-N    		 Nc1nc2cc(ccc2cc1)CNC(=O)c1cc2c(cc1)n(CCO
    )c1CCCCc21; c1cc(cc2c1ccc(n2)N)CNC(=O)c3
    ccc4c(c3)c5c(n4CCO)CCCC5; Nc1ccc2ccc(CNC
    (=O)c3ccc4n(CCO)c5CCCCc5c4c3)cc2n1    		 N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide
    31765
    P2S
    ZINC000033821454    		 2 C9 H19 N2 O8 P S InChI=1S/C9H19N2O8PS/c1-2
    -6(8(12)13)5-21(19,11-20(
    16,17)18)4-3-7(10)9(14)15
    /h6-7H,2-5,10H2,1H3,(H,12
    ,13)(H,14,15)(H2,16,17,18
    )/t6-,7+,21-/m1/s1;
    LVBQTRQMXKDEFG-CRRUPIIHSA-N    		 CCC(CS(=NP(=O)(O)O)(=O)CCC(C(=O)O)N)C(=O
    )O; CC[C@H](C[S](=O)(CC[C@H](N)C(O)=O)=N
    [P](O)(O)=O)C(O)=O; CC[C@H](C[S@](=NP(=O
    )(O)O)(=O)CC[C@@H](C(=O)O)N)C(=O)O; CC[C
    H](C[S](=O)(CC[CH](N)C(O)=O)=N[P](O)(O)=
    O)C(O)=O; O=P(N=S(=O)(CC(C(=O)O)CC)CCC(C
    (=O)O)N)(O)O    		 (2S)-2-AMINO-4-[[(2R)-2-CARBOXYBUTYL](PHOSPHONO)SULFONIMIDOYL]BUTANOIC ACID;
    N-PHOSPHORYL (2S)-2-AMINO-4-[(2S)-2-CARBOXYBUTYL-(R)-SULFONIMIDOYL]BUTANOIC ACID
    31766
    P2T
    ZINC000058638569    		 0 C13 H21 N2 O9 P InChI=1S/C13H21N2O9P/c1-3
    -4-22-10-9(16)8(6-23-25(1
    9,20)21)24-12(10)15-5-7(2
    )11(17)14-13(15)18/h5,8-1
    0,12,16H,3-4,6H2,1-2H3,(H
    ,14,17,18)(H2,19,20,21)/t
    8-,9-,10-,12-/m1/s1;
    YCUXLAVNRCJWRL-DNRKLUKYSA-N    		 O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCC)COP(=O
    )(O)O; CCCOC1C(C(OC1N2C=C(C(=O)NC2=O)C)C
    OP(=O)(O)O)O; CCCO[C@@H]1[C@@H]([C@H](O[
    C@H]1N2C=C(C(=O)NC2=O)C)COP(=O)(O)O)O; C
    CCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1
    N2C=C(C)C(=O)NC2=O; CCCO[C@@H]1[C@H](O)[
    C@@H](CO[P](O)(O)=O)O[C@H]1N2C=C(C)C(=O)
    NC2=O    		 2'-O-PROPYL THYMIDINE-5-MONOPHOSPHATE
    31767
    P2U
    ZINC000013552201    		 0 C9 H13 N2 O8 P InChI=1S/C9H13N2O8P/c12-5
    -1-6(4-2-10-9(14)11-8(4)1
    3)19-7(5)3-18-20(15,16)17
    /h2,5-7,12H,1,3H2,(H2,15,
    16,17)(H2,10,11,13,14)/t5
    -,6+,7+/m0/s1;
    QJNQHNJPOXCQQR-RRKCRQDMSA-N    		 O=P(OCC2OC(C1=CNC(=O)NC1=O)CC2O)(O)O; C1
    [C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)COP(
    =O)(O)O)O; C1C(C(OC1C2=CNC(=O)NC2=O)COP(
    =O)(O)O)O; O[CH]1C[CH](O[CH]1CO[P](O)(O)
    =O)C2=CNC(=O)NC2=O; O[C@H]1C[C@@H](O[C@@
    H]1CO[P](O)(O)=O)C2=CNC(=O)NC2=O    		 2'-DEOXY-PSEUDOURIDINE-5'MONOPHOSPHATE
    31768
    P2V    		 2 C26 H30 N6 S InChI=1S/C26H30N6S/c1-17(
    2)22-23-24(32-31-22)25(30
    -26(29-23)33-20-12-14-27-
    15-13-20)28-16-19-10-6-7-
    11-21(19)18-8-4-3-5-9-18/
    h3-11,17,20,27H,12-16H2,1
    -2H3,(H,31,32)(H,28,29,30
    );
    JSWSIHXBXVQRFW-UHFFFAOYSA-N    		 CC(C)c1[nH]nc2c(NCc3ccccc3c4ccccc4)nc(SC
    5CCNCC5)nc12; CC(C)c1c2c(c(nc(n2)SC3CCNC
    C3)NCc4ccccc4c5ccccc5)n[nH]1    		 ~{N}-[(2-phenylphenyl)methyl]-5-piperidin-4-ylsulfanyl-3-propan-2-yl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
    31769
    P2X
    CHEMBL1241674
    ZINC000036056301    		 2 C16 H16 N6 O InChI=1S/C16H16N6O/c1-8(2
    )22-16-13(15(17)18-7-19-1
    6)14(21-22)12-6-9-5-10(23
    )3-4-11(9)20-12/h3-8,20,2
    3H,1-2H3,(H2,17,18,19);
    MFAQYJIYDMLAIM-UHFFFAOYSA-N    		 n1c(c2c(nc1)n(nc2c4cc3cc(O)ccc3n4)C(C)C)
    N; CC(C)n1c2c(c(n1)c3cc4cc(ccc4[nH]3)O)c
    (ncn2)N; CC(C)n1nc(c2[nH]c3ccc(O)cc3c2)c
    4c(N)ncnc14    		 2-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
    31770
    P2Y
    DB03253
    ZINC000039357503    		 4 C5 H12 N2 InChI=1S/C5H12N2/c6-4-5-2
    -1-3-7-5/h5,7H,1-4,6H2/t5
    -/m0/s1;
    AUKXFNABVHIUAC-YFKPBYRVSA-N    		 NC[CH]1CCCN1; C1C[C@H](NC1)CN; C1CC(NC1)
    CN; NCC1NCCC1; NC[C@@H]1CCCN1    		 (2S)-PYRROLIDIN-2-YLMETHYLAMINE
    31771
    P2Z
    CHEMBL564
    DB00420
    ZINC000000010402    		 2 C17 H20 N2 S InChI=1S/C17H20N2S/c1-18(
    2)12-7-13-19-14-8-3-5-10-
    16(14)20-17-11-6-4-9-15(1
    7)19/h3-6,8-11H,7,12-13H2
    ,1-2H3;
    ZGUGWUXLJSTTMA-UHFFFAOYSA-N    		 CN(C)CCCN1c2ccccc2Sc3ccccc13; S2c1ccccc1
    N(c3c2cccc3)CCCN(C)C; CN(C)CCCN1c2ccccc2
    Sc3c1cccc3    		 Promazine;
    N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine
    31772
    P30
    CHEMBL576982
    DB12874
    ZINC000043204002    		 3 C29 H32 N6 O4 S InChI=1S/C29H32N6O4S/c1-2
    9(2,3)25-17-26(33-39-25)3
    2-27(36)30-20-6-4-19(5-7-
    20)22-18-35-23-9-8-21(16-
    24(23)40-28(35)31-22)38-1
    5-12-34-10-13-37-14-11-34
    /h4-9,16-18H,10-15H2,1-3H
    3,(H2,30,32,33,36);
    CVWXJKQAOSCOAB-UHFFFAOYSA-N    		 O=C(Nc1noc(c1)C(C)(C)C)Nc6ccc(c4nc5sc3c(
    ccc(OCCN2CCOCC2)c3)n5c4)cc6; CC(C)(C)c1c
    c(no1)NC(=O)Nc2ccc(cc2)c3cn4c5ccc(cc5sc4
    n3)OCCN6CCOCC6; CC(C)(C)c1onc(NC(=O)Nc2c
    cc(cc2)c3cn4c(sc5cc(OCCN6CCOCC6)ccc45)n3
    )c1    		 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea;
    Quizartinib;
    PLX3397
    31773
    P31
    CHEMBL3813873
    DB12978
    ZINC000115705166    		 2 C20 H15 Cl F3 N5 InChI=1S/C20H15ClF3N5/c21
    -15-6-16-14(10-28-19(16)2
    9-11-15)5-12-2-4-18(26-7-
    12)27-9-13-1-3-17(25-8-13
    )20(22,23)24/h1-4,6-8,10-
    11H,5,9H2,(H,26,27)(H,28,
    29);
    JGWRKYUXBBNENE-UHFFFAOYSA-N    		 c1cc(ncc1Cc2c[nH]c3c2cc(cn3)Cl)NCc4ccc(n
    c4)C(F)(F)F; FC(F)(F)c1ccc(CNc2ccc(Cc3c[
    nH]c4ncc(Cl)cc34)cn2)cn1; FC(F)(F)c1ncc(
    cc1)CNc2ncc(cc2)Cc4c3cc(Cl)cnc3nc4    		 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine
    31774
    P32
    DB08347
    ZINC000053683105    		 14 C16 H21 N3 O2 InChI=1S/C16H21N3O2/c1-16
    (2,3)18-9-12(20)10-21-15-
    6-4-5-14-13(15)7-11(8-17)
    19-14/h4-6,12,18,20H,7,9-
    10H2,1-3H3/t12-/m0/s1;
    CQEFAUFOQSCRMZ-LBPRGKRZSA-N    		 CC(C)(C)NC[C@H](O)COc1cccc2N=C(Cc12)C#N;
    N#CC2=Nc1cccc(OCC(O)CNC(C)(C)C)c1C2; CC
    (C)(C)NCC(COc1cccc2c1CC(=N2)C#N)O; CC(C)
    (C)NC[CH](O)COc1cccc2N=C(Cc12)C#N; CC(C)
    (C)NC[C@@H](COc1cccc2c1CC(=N2)C#N)O    		 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile
    31775
    P33
    DB03394
    ZINC000005178829    		 2 C14 H30 O8 InChI=1S/C14H30O8/c15-1-3
    -17-5-7-19-9-11-21-13-14-
    22-12-10-20-8-6-18-4-2-16
    /h15-16H,1-14H2;
    XPJRQAIZZQMSCM-UHFFFAOYSA-N    		 OCCOCCOCCOCCOCCOCCOCCO; O(CCOCCO)CCOCCOC
    COCCOCCO; C(COCCOCCOCCOCCOCCOCCO)O    		 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL;
    HEPTAETHYLENE GLYCOL;
    PEG330
    31776
    P34
    CHEMBL372303
    DB08348
    ZINC000000008960    		 26 C17 H17 N3 O2 InChI=1S/C17H17N3O2/c1-20
    (2)10-16(21)18-11-7-8-15-
    14(9-11)12-5-3-4-6-13(12)
    17(22)19-15/h3-9H,10H2,1-
    2H3,(H,18,21)(H,19,22);
    UYJZZVDLGDDTCL-UHFFFAOYSA-N    		 CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2;
    CN(C)CC(=O)Nc1ccc2NC(=O)c3ccccc3c2c1; O
    =C(Nc3ccc1c(c2c(C(=O)N1)cccc2)c3)CN(C)C    		 N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
    31777
    P35
    CHEMBL4091824
    ZINC000584905679    		 1 C19 H23 N3 O4 S InChI=1S/C19H23N3O4S/c23-
    17-3-4-19(18(24)10-17)27(
    25,26)22-11-13-1-2-16(9-1
    4(13)12-22)21-15-5-7-20-8
    -6-15/h1-4,9-10,15,20-21,
    23-24H,5-8,11-12H2;
    HQHMYMINMCVYMC-UHFFFAOYSA-N    		 c1cc2c(cc1NC3CCNCC3)CN(C2)S(=O)(=O)c4ccc
    (cc4O)O; Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3c
    cc(NC4CCNCC4)cc3C2; c1cc(O)cc(c1S(=O)(N2
    Cc3ccc(cc3C2)NC4CCNCC4)=O)O    		 4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2H-isoindol-2-yl}sulfonyl)benzene-1,3-diol
    31778
    P36
    CHEMBL1095447
    ZINC000034270053    		 1 C19 H16 Br N O2 InChI=1S/C19H16BrNO2/c20-
    18-17(23-14-16-9-5-2-6-10
    -16)11-12-21(19(18)22)13-
    15-7-3-1-4-8-15/h1-12H,13
    -14H2;
    VBZTXJCTVYBOKW-UHFFFAOYSA-N    		 c1ccc(cc1)CN2C=CC(=C(C2=O)Br)OCc3ccccc3;
    BrC2=C(OCc1ccccc1)C=CN(C2=O)Cc3ccccc3;
    BrC1=C(OCc2ccccc2)C=CN(Cc3ccccc3)C1=O    		 1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one
    31779
    P37
    CHEMBL559401
    DB08349
    ZINC000039273513    		 1 C24 H21 F2 N5 O2 InChI=1S/C24H21F2N5O2/c1-
    13-3-4-14(23(33)28-16-6-7
    -16)9-19(13)29-20-11-22(3
    2)30(2)24-17(20)12-27-31(
    24)21-8-5-15(25)10-18(21)
    26/h3-5,8-12,16,29H,6-7H2
    ,1-2H3,(H,28,33);
    WMEYCLAVMZKZCS-UHFFFAOYSA-N    		 Cc1ccc(cc1NC2=CC(=O)N(c3c2cnn3c4ccc(cc4F
    )F)C)C(=O)NC5CC5; CN1C(=O)C=C(Nc2cc(ccc2
    C)C(=O)NC3CC3)c4cnn(c5ccc(F)cc5F)c14; O=
    C(NC1CC1)c2cc(c(cc2)C)NC=4c3cnn(c3N(C(=O
    )C=4)C)c5ccc(F)cc5F    		 N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide
    31780
    P38
    ZINC000039046721    		 1 C33 H32 N8 O3 InChI=1S/C33H32N8O3/c1-21
    -9-10-26(38-32(42)25-11-1
    2-34-29(17-25)40-13-15-44
    -16-14-40)18-28(21)39-31-
    30-22(2)27(19-41(30)36-20
    -35-31)33(43)37-23(3)24-7
    -5-4-6-8-24/h4-12,17-20H,
    3,13-16H2,1-2H3,(H,37,43)
    (H,38,42)(H,35,36,39);
    ABOUJDCZZMNXIR-UHFFFAOYSA-N    		 Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)NC(=C)c4
    ccccc4)C)NC(=O)c5ccnc(c5)N6CCOCC6; Cc1cc
    c(NC(=O)c2ccnc(c2)N3CCOCC3)cc1Nc4ncnn5cc
    (C(=O)NC(=C)c6ccccc6)c(C)c45; O=C(NC(/c1
    ccccc1)=C)c6c(c2n(ncnc2Nc3c(ccc(c3)NC(=O
    )c4cc(ncc4)N5CCOCC5)C)c6)C    		 5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
    31781
    P39
    CHEMBL408150
    ZINC000014210675    		 1 C34 H35 N7 O3 InChI=1S/C34H35N7O3/c1-22
    -12-13-27(38-33(42)26-10-
    7-11-28(18-26)40-14-16-44
    -17-15-40)19-30(22)39-32-
    31-23(2)29(20-41(31)36-21
    -35-32)34(43)37-24(3)25-8
    -5-4-6-9-25/h4-13,18-21,2
    4H,14-17H2,1-3H3,(H,37,43
    )(H,38,42)(H,35,36,39)/t2
    4-/m0/s1;
    KYFKCMGDXJZZIZ-DEOSSOPVSA-N    		 C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4ccc
    c(c4)N5CCOCC5)ccc3C)c2c1C)c6ccccc6; O=C(
    NC(c1ccccc1)C)c6c(c2n(ncnc2Nc3c(ccc(c3)N
    C(=O)c4cc(ccc4)N5CCOCC5)C)c6)C; Cc1ccc(c
    c1Nc2c3c(c(cn3ncn2)C(=O)N[C@@H](C)c4cccc
    c4)C)NC(=O)c5cccc(c5)N6CCOCC6; C[CH](NC(
    =O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(c4)N5CCO
    CC5)ccc3C)c2c1C)c6ccccc6; Cc1ccc(cc1Nc2c
    3c(c(cn3ncn2)C(=O)NC(C)c4ccccc4)C)NC(=O)
    c5cccc(c5)N6CCOCC6    		 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
    31782
    P3A    		 7 C41 H78 O15 P2 InChI=1S/C41H80O15P2/c1-3
    -5-7-9-11-13-15-17-19-21-
    23-25-27-29-40(45)51-35-3
    9(56-41(46)30-28-26-24-22
    -20-18-16-14-12-10-8-6-4-
    2)36-55-58(49,50)54-34-38
    (44)33-53-57(47,48)52-32-
    37(43)31-42/h14,16,37-39,
    42-44H,3-13,15,17-36H2,1-
    2H3,(H,47,48)(H,49,50)/p-
    2/b16-14-/t37-,38+,39+/m0
    /s1;
    LXWNXFZWWXODAH-XOLIOQKMSA-L    		 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(
    =O)OC[C@H](O)CO[P]([O-])(=O)OC[C@@H](O)C
    O)OC(=O)CCCCCCC\C=C/CCCCCC; CCCCCCCCCCCC
    CCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](CO
    P(=O)([O-])OC[C@H](CO)O)O)OC(=O)CCCCCCC/
    C=C\CCCCCC; CCCCCCCCCCCCCCCC(=O)OC[CH](C
    O[P]([O-])(=O)OC[CH](O)CO[P]([O-])(=O)OC
    [CH](O)CO)OC(=O)CCCCCCCC=CCCCCCC; CCCCCC
    CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(COP(=
    O)([O-])OCC(CO)O)O)OC(=O)CCCCCCCC=CCCCCC
    C; O=C(OC(COP([O-])(=O)OCC(O)COP([O-])(=
    O)OCC(O)CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCC
    C\C=C/CCCCCC    		 PHOSPHATIDYLGLYCEROL-PHOSPHOGLYCEROL
    31783
    P3B
    ZINC000263620661    		 4 C15 H19 N2 O9 P InChI=1S/C15H19N2O9P/c1-7
    -13(19)10(9(4-16-7)6-26-2
    7(23,24)25)5-17-11-2-8(15
    (21)22)3-12(18)14(11)20/h
    2,4-5,12,14,16,18-20H,3,6
    H2,1H3,(H,21,22)(H2,23,24
    ,25)/b10-5-,17-11+/t12-,1
    4-/m1/s1;
    KOPNIGHVUGDBMS-FEZKIMOASA-N    		 CC1=C(C(=CN=C2C=C(CC(C2O)O)C(=O)O)C(=CN1
    )COP(=O)(O)O)O; CC1=C(O)C(=CN=C2C=C(C[CH
    ](O)[CH]2O)C(O)=O)C(=CN1)CO[P](O)(O)=O;
    CC1=C(/C(=C\N=C\2/C=C(C[C@H]([C@@H]2O)O)
    C(=O)O)/C(=CN1)COP(=O)(O)O)O; OP(O)(=O)O
    CC1=CNC(C)=C(C1=[C@H]\N=C2/C=C(C(O)=O)CC
    (C2O)O)O; CC1=C(O)C(=C/N=C2C=C(C[C@@H](O
    )[C@@H]2O)C(O)=O)\C(=CN1)CO[P](O)(O)=O    		 (3E,4R,5R)-4,5-dihydroxy-3-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}cyclohex-1-ene-1-carboxylic acid
    31784
    P3C    		 1 Cl3 Pt InChI=1S/3ClH.Pt/h3*1H;/q
    ;;;+2/p-3;
    UGPIIBDOUTZDQE-UHFFFAOYSA-K    		 Cl[Pt-](Cl)Cl TRICHLOROPLATINATE
    31785
    P3D
    ZINC000058633064    		 2 C13 H22 N3 O5 P InChI=1S/C13H22N3O5P/c1-1
    0-13(17)12(8-15-6-4-2-3-5
    -14)11(7-16-10)9-21-22(18
    ,19)20/h7-8,17H,2-6,9,14H
    2,1H3,(H2,18,19,20)/b15-8
    +;
    NPYALNYUWCUSTP-OVCLIPMQSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCCCCN)O; O=
    P(O)(O)OCc1cnc(c(O)c1/C=N/CCCCCN)C; Cc1c
    (c(c(cn1)COP(=O)(O)O)\C=N\CCCCCN)O; Cc1n
    cc(CO[P](O)(O)=O)c(C=NCCCCCN)c1O    		 (4-{(E)-[(5-AMINOPENTYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
    PHOSPHORIC ACID MONO-{4-[(5-AMINO-PENTYLIMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER
    31786
    P3E    		 4 C28 H36 N10 O18 P3 InChI=1S/C28H35N10O18P3/c
    1-11-3-2-4-12(5-11)6-36-1
    0-38(22-16(36)24(44)35-28
    (30)33-22)26-20(42)18(40)
    14(54-26)8-52-58(47,48)56
    -59(49,50)55-57(45,46)51-
    7-13-17(39)19(41)25(53-13
    )37-9-31-15-21(37)32-27(2
    9)34-23(15)43/h2-5,9-10,1
    3-14,17-20,25-26,39-42H,6
    -8H2,1H3,(H8-,29,30,32,33
    ,34,35,43,44,45,46,47,48,
    49,50)/p+1/t13-,14-,17-,1
    8-,19-,20-,25-,26-/m1/s1;
    PSRZFZZOIWOJQD-RTZOWOBBSA-O    		 Cc1cccc(c1)Cn2c[n+](c3c2C(=O)NC(=N3)N)C4
    C(C(C(O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC
    5C(C(C(O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O; C
    c1cccc(c1)Cn2c[n+](c3c2C(=O)NC(=N3)N)[C@
    H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=
    O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H
    ](O5)n6cnc7c6N=C(NC7=O)N)O)O)O)O; Cc1ccc
    c(Cn2c[n+]([CH]3O[CH](CO[P](O)(=O)O[P](O
    )(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]
    4O)n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3O)c
    7N=C(N)NC(=O)c27)c1; Cc1cccc(Cn2c[n+]([C
    @@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](
    O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5
    cnc6C(=O)NC(=Nc56)N)[C@@H](O)[C@H]3O)c7N
    =C(N)NC(=O)c27)c1    		 [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
    31787
    P3F
    ZINC000058660309    		 2 C18 H18 F3 N4 O7 P InChI=1S/C18H18F3N4O7P/c1
    -10-16(27)13(11(6-22-10)9
    -32-33(29,30)31)7-24-25-1
    5(26)8-23-17(28)12-4-2-3-
    5-14(12)18(19,20)21/h2-7,
    27H,8-9H2,1H3,(H,23,28)(H
    ,25,26)(H2,29,30,31)/b24-
    7+;
    MCLYFEQPXXDFPI-HCBMXOAHSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)C=NNC(=O)CNC(=O
    )c2ccccc2C(F)(F)F)O; Cc1ncc(CO[P](O)(O)=
    O)c(C=NNC(=O)CNC(=O)c2ccccc2C(F)(F)F)c1O
    ; Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\NC(=O)CN
    C(=O)c2ccccc2C(F)(F)F)O; FC(F)(F)c1ccccc
    1C(=O)NCC(=O)N/N=C/c2c(cnc(c2O)C)COP(=O)
    (O)O; Cc1ncc(CO[P](O)(O)=O)c(\C=N\NC(=O)
    CNC(=O)c2ccccc2C(F)(F)F)c1O    		 PHOSPHORIC ACID MONO-(5-HYDROXY-6-METHYL-4-{[2-(2-TRIFLUOROMETHYL-BENZOYLAMINO)-ACETYL]-HYDRAZONOMETHYL}-PYRIDIN-3-YLMETHYL)ESTER
    31788
    P3G
    DB02343
    ZINC000005650744    		 0 C12 H26 O5 InChI=1S/C12H26O5/c1-3-13
    -5-7-15-9-11-17-12-10-16-
    8-6-14-4-2/h3-12H2,1-2H3;
    HYDWALOBQJFOMS-UHFFFAOYSA-N    		 CCOCCOCCOCCOCCOCC; O(CC)CCOCCOCCOCCOCC 3,6,9,12,15-PENTAOXAHEPTADECANE
    31789
    P3H    		 3 C35 H63 O13 P InChI=1S/C35H63O13P/c1-3-
    5-7-9-11-12-13-14-15-16-1
    7-18-20-22-24-29(37)47-27
    (25-45-28(36)23-21-19-10-
    8-6-4-2)26-46-49(43,44)48
    -35-33(41)31(39)30(38)32(
    40)34(35)42/h14-15,17-18,
    27,30-35,38-42H,3-13,16,1
    9-26H2,1-2H3,(H,43,44)/b1
    5-14-,18-17-/t27-,30-,31-
    ,32+,33-,34-,35-/m1/s1;
    YESDZPSNSSEMJX-BCWHKXFCSA-N    		 CCCCCCCC/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O
    )CCCCCCCC)COP(=O)(O)OC1[C@@H]([C@H](C([C
    @H]([C@H]1O)O)O)O)O; CCCCCCCC\C=C/C\C=C/
    CCCC(=O)O[C@H](COC(=O)CCCCCCCC)CO[P](O)(
    =O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H
    ](O)[C@H]1O; CCCCCCCCC=CCC=CCCCC(=O)OC(C
    OC(=O)CCCCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)
    O)O)O)O; CCCCCCCCC=CCC=CCCCC(=O)O[CH](CO
    C(=O)CCCCCCCC)CO[P](O)(=O)O[CH]1[CH](O)[
    CH](O)[CH](O)[CH](O)[CH]1O    		 [(2~{R})-1-nonanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{Z},8~{Z})-heptadeca-5,8-dienoate
    31790
    P3I
    ZINC000584905683    		 4 C18 H17 Br N4 O4 S InChI=1S/C18H17BrN4O4S/c1
    -22(28(26,27)13-8-3-2-4-9
    -13)15-16(20)23(18(25)21-
    17(15)24)11-12-7-5-6-10-1
    4(12)19/h2-10H,11,20H2,1H
    3,(H,21,24,25);
    WBWGAIAXWOULFV-UHFFFAOYSA-N    		 CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2Br)N)S(=O)
    (=O)c3ccccc3; CN(C1=C(N)N(Cc2ccccc2Br)C(
    =O)NC1=O)[S](=O)(=O)c3ccccc3    		 N-(6-Amino-1-(2-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide
    31791
    P3J
    ZINC000004992729    		 1 C8 H8 N4 InChI=1S/C8H8N4/c9-8-4-7(
    11-12-8)6-2-1-3-10-5-6/h1
    -5H,(H3,9,11,12);
    USKHSGIEOVXVFW-UHFFFAOYSA-N    		 Nc1[nH]nc(c1)c2cccnc2; c1cc(cnc1)c2cc([n
    H]n2)N; n1cccc(c1)c2nnc(c2)N    		 3-(PYRIDIN-3-YL)-1H-PYRAZOL-5-AMINE
    31792
    P3K
    ZINC000002581326    		 2 C7 H5 N O2 InChI=1S/C7H5NO2/c8-4-5-2
    -1-3-6(9)7(5)10/h1-3,9-10
    H;
    XHPDHXXZBWDFIB-UHFFFAOYSA-N    		 Oc1cccc(C#N)c1O; c1cc(c(c(c1)O)O)C#N 2,3-bis(oxidanyl)benzenecarbonitrile
    31793
    P3L    		 3 C15 H17 Cl N2 O3 InChI=1S/C15H17ClN2O3/c16
    -9-1-2-13-12(7-9)11(4-6-2
    1-13)15(20)18-10-3-5-17-1
    4(19)8-10/h1-2,7,10-11H,3
    -6,8H2,(H,17,19)(H,18,20)
    /t10-,11-/m1/s1;
    LDVBEXIDVVQUFA-GHMZBOCLSA-N    		 Clc1ccc2OCC[CH](C(=O)N[CH]3CCNC(=O)C3)c2
    c1; c1cc2c(cc1Cl)[C@@H](CCO2)C(=O)N[C@@H
    ]3CCNC(=O)C3; c1cc2c(cc1Cl)C(CCO2)C(=O)N
    C3CCNC(=O)C3; Clc1ccc2OCC[C@@H](C(=O)N[C
    @@H]3CCNC(=O)C3)c2c1; O=C1CC(CCN1)NC(=O)
    C1CCOc2ccc(Cl)cc21    		 (4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    31794
    P3N
    CHEMBL3218845
    ZINC000098209284    		 4 C32 H38 N6 O5 InChI=1S/C32H38N6O5/c1-20
    -11-13-23(14-12-20)19-33-
    28(39)24(16-15-22-9-7-6-8
    -10-22)34-29(40)25(35-30(
    41)26-17-21(2)42-37-26)18
    -27-36-31(38-43-27)32(3,4
    )5/h6-14,17,24-25H,15-16,
    18-19H2,1-5H3,(H,33,39)(H
    ,34,40)(H,35,41)/t24-,25-
    /m0/s1;
    OHMJOYZRJHYMAE-DQEYMECFSA-N    		 Cc1ccc(cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O
    )[C@H](Cc3nc(no3)C(C)(C)C)NC(=O)c4cc(on4
    )C; Cc1onc(c1)C(=O)N[C@@H](Cc2onc(n2)C(C
    )(C)C)C(=O)N[C@@H](CCc3ccccc3)C(=O)NCc4c
    cc(C)cc4; Cc1ccc(cc1)CNC(=O)C(CCc2ccccc2
    )NC(=O)C(Cc3nc(no3)C(C)(C)C)NC(=O)c4cc(o
    n4)C; Cc1onc(c1)C(=O)N[CH](Cc2onc(n2)C(C
    )(C)C)C(=O)N[CH](CCc3ccccc3)C(=O)NCc4ccc
    (C)cc4; O=C(NCc1ccc(cc1)C)C(NC(=O)C(NC(=
    O)c2noc(c2)C)Cc3nc(no3)C(C)(C)C)CCc4cccc
    c4    		 N-[(2S)-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-({(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
    31795
    P3O
    CHEMBL5275131    		 14 C23 H21 Cl N4 O2 InChI=1S/C23H21ClN4O2/c1-
    26-21-9-10-27(13-18-4-2-3
    -17(11-18)12-25)15-20(21)
    22(29)28(23(26)30)14-16-5
    -7-19(24)8-6-16/h2-8,11H,
    9-10,13-15H2,1H3;
    OUHFVWVTONSREN-UHFFFAOYSA-N    		 Clc1ccc(cc1)CN1C(=O)C=2CN(CCC=2N(C)C1=O)
    Cc1cccc(C#N)c1; CN1C2=C(CN(CC2)Cc3cccc(c
    3)C#N)C(=O)N(C1=O)Cc4ccc(cc4)Cl; CN1C(=O
    )N(Cc2ccc(Cl)cc2)C(=O)C3=C1CCN(Cc4cccc(c
    4)C#N)C3    		 3-({3-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxo-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-6(2H)-yl}methyl)benzonitrile
    31796
    P3P
    ZINC000038788873    		 11 C5 H13 N O7 P2 InChI=1S/C5H13NO7P2/c1-14
    (9,13-15(10,11)12)3-2-4(6
    )5(7)8/h4H,2-3,6H2,1H3,(H
    ,7,8)(H2,10,11,12)/t4-,14
    +/m0/s1;
    UXRZHSKRCMUNIN-YZSVAWROSA-N    		 CP(=O)(CCC(C(=O)O)N)OP(=O)(O)O; C[P@](=O
    )(CC[C@H](N)C(O)=O)O[P](O)(O)=O; C[P@](=
    O)(CC[C@@H](C(=O)O)N)OP(=O)(O)O; C[P](=O
    )(CC[CH](N)C(O)=O)O[P](O)(O)=O; O=P(OP(=
    O)(O)O)(CCC(C(=O)O)N)C    		 (2S)-2-AMINO-4-[METHYL(PHOSPHONOOXY)PHOSPHORYL]BUTANOIC ACID;
    PHOSPHINOTHRICIN PHOSPHATE
    31797
    P3Q
    ZINC000058660590    		 0 C21 H24 N2 O5 InChI=1S/C21H24N2O5/c22-1
    7(21(27)28)11-15-12-18(20
    (26)13-19(15)25)23-16(9-1
    0-24)8-4-7-14-5-2-1-3-6-1
    4/h1-3,5-6,9-10,12-13,17,
    23,25-26H,4,7-8,11,22H2,(
    H,27,28)/b16-9+/t17-/m0/s
    1;
    HHNJWLBRCQJYIP-NDCSFFLDSA-N    		 N[C@@H](Cc1cc(NC(/CCCc2ccccc2)=C/C=O)c(O
    )cc1O)C(O)=O; c1ccc(cc1)CCCC(=CC=O)Nc2cc
    (c(cc2O)O)CC(C(=O)O)N; N[CH](Cc1cc(NC(CC
    Cc2ccccc2)=CC=O)c(O)cc1O)C(O)=O; c1ccc(c
    c1)CCC/C(=C\C=O)/Nc2cc(c(cc2O)O)C[C@@H](
    C(=O)O)N    		 2-hydroxy-5-{[(1E)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-L-tyrosine
    31798
    P3R
    CHEMBL5219401    		 1 C14 H19 N O3 InChI=1S/C14H19NO3/c1-9-1
    1-8-13(18-4)12(17-3)7-10(
    11)5-6-15(2)14(9)16/h7-9H
    ,5-6H2,1-4H3/t9-/m1/s1;
    PREGEFBQCOFCDI-SECBINFHSA-N    		 COc1cc2CCN(C)C(=O)[C@H](C)c2cc1OC; C[C@@
    H]1c2cc(c(cc2CCN(C1=O)C)OC)OC; CC1c2cc(c
    (cc2CCN(C1=O)C)OC)OC; COc1cc2CCN(C)C(=O)
    [CH](C)c2cc1OC    		 (5~{R})-7,8-dimethoxy-3,5-dimethyl-2,5-dihydro-1~{H}-3-benzazepin-4-one
    31799
    P3S
    ZINC000014653634    		 110 C5 H13 N2 O6 P S InChI=1S/C5H13N2O6PS/c1-1
    5(13,7-14(10,11)12)3-2-4(
    6)5(8)9/h4H,2-3,6H2,1H3,(
    H,8,9)(H2,10,11,12)/t4-,1
    5-/m0/s1;
    QQFOFBSCSWFFPB-NMAPHRJESA-N    		 O=P(N=S(=O)(CCC(N)C(=O)O)C)(O)O; C[S](=O
    )(CC[C@H](N)C(O)=O)=N[P](O)(O)=O; C[S](=
    O)(CC[CH](N)C(O)=O)=N[P](O)(O)=O; CS(=NP
    (=O)(O)O)(=O)CCC(C(=O)O)N; C[S@](=NP(=O)
    (O)O)(=O)CC[C@@H](C(=O)O)N    		 L-METHIONINE-S-SULFOXIMINE PHOSPHATE
    31800
    P3T
    ZINC000016052386    		 2 C12 H22 N3 O5 P InChI=1S/C12H22N3O5P/c1-9
    -12(16)11(7-14-5-3-2-4-13
    )10(6-15-9)8-20-21(17,18)
    19/h6,14,16H,2-5,7-8,13H2
    ,1H3,(H2,17,18,19);
    MXDZELCJRJAUEI-UHFFFAOYSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(CNCCCCN)c1O; O=P(
    O)(O)OCc1cnc(c(O)c1CNCCCCN)C; Cc1c(c(c(c
    n1)COP(=O)(O)O)CNCCCCN)O    		 (4-{[(4-AMINOBUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
    PHOSPHORIC ACID MONO-{4-[(4-AMINO-BUTYLAMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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