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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 show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    10401 8G1
    CHEMBL4087770    		 1 C26 H18 Cl F N4 O4 InChI=1S/C26H18ClFN4O4/c2
    7-17-10-13(4-5-18(17)28)1
    2-31-9-7-16-19(24(31)35)2
    2(33)25(36)32-21(16)23(34
    )30-26(32)8-6-14-2-1-3-15
    (11-29)20(14)26/h1-5,10,3
    3H,6-9,12H2,(H,30,34)/t26
    -/m1/s1;
    SQZXRPGADVRSDB-AREMUKBSSA-N    		 c1cc2c(c(c1)C#N)[C@]3(CC2)NC(=O)C4=C5CCN
    (C(=O)C5=C(C(=O)N34)O)Cc6ccc(c(c6)Cl)F;
    OC1=C2C(=O)N(CCC2=C3N(C1=O)[C]4(CCc5cccc
    (C#N)c45)NC3=O)Cc6ccc(F)c(Cl)c6; c1cc2c(
    c(c1)C#N)C3(CC2)NC(=O)C4=C5CCN(C(=O)C5=C
    (C(=O)N34)O)Cc6ccc(c(c6)Cl)F; OC1=C2C(=O
    )N(CCC2=C3N(C1=O)[C@@]4(CCc5cccc(C#N)c45
    )NC3=O)Cc6ccc(F)c(Cl)c6; C=51C(CCN(C1=O)
    Cc2ccc(c(c2)Cl)F)=C6C(=O)NC3(CCc4c3c(C#N
    )ccc4)N6C(C=5O)=O    		 (3R)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxo-1,2',3',5,7,8,9,10-octahydro-2H-spiro[imidazo[5,1-a][2,6]naphthyridine-3,1'-indene]-7'-carbonitrile
    10402 8G2 3 C9 H12 N O2 InChI=1S/C9H11NO2/c1-12-9
    (11)8-4-2-7(6-10)3-5-8/h2
    -5H,6,10H2,1H3/p+1;
    AQBJGAUQEJFPKZ-UHFFFAOYSA-O    		 COC(=O)c1ccc(cc1)C[NH3+]; COC(=O)c1ccc(C
    [NH3+])cc1    		 (4-methoxycarbonylphenyl)methylazanium
    10403 8G3
    CHEMBL5273736    		 1 C14 H13 N7 O InChI=1S/C14H13N7O/c1-9-7
    -12-16-10(8-13(22)21(12)1
    8-9)3-4-11-17-14-15-5-2-6
    -20(14)19-11/h2,5-8,22H,3
    -4H2,1H3;
    MHSIAXSVRRVYRX-UHFFFAOYSA-N    		 Cc1cc2nc(cc(n2n1)O)CCc3nc4ncccn4n3; Cc1c
    c2nc(CCc3nn4cccnc4n3)cc(O)n2n1    		 2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-ol
    10404 8G4 1 C28 H24 Cl F N4 O6 InChI=1S/C28H24ClFN4O6/c2
    9-18-11-14(1-2-19(18)30)1
    3-31-8-6-16-22(25(31)38)2
    4(37)27(40)34-23(16)26(39
    )33(28(34)7-5-15-12-17(15
    )28)10-9-32-20(35)3-4-21(
    32)36/h1-4,11,15,17,37H,5
    -10,12-13H2/t15-,17+,28+/
    m1/s1;
    PTJSQLXTSPVZSQ-AFRUXQHESA-N    		 OC1=C2C(=O)N(CCC2=C3N(C1=O)[C@]4(CC[C@@H
    ]5C[C@H]45)N(CCN6C(=O)C=CC6=O)C3=O)Cc7cc
    c(F)c(Cl)c7; OC1=C2C(=O)N(CCC2=C3N(C1=O)
    [C]4(CC[CH]5C[CH]45)N(CCN6C(=O)C=CC6=O)C
    3=O)Cc7ccc(F)c(Cl)c7; Fc1ccc(cc1Cl)CN2C(
    C=7C(CC2)=C3N(C6(N(C3=O)CCN4C(C=CC4=O)=O
    )C5CC5CC6)C(=O)C=7O)=O; c1cc(c(cc1CN2CCC
    3=C4C(=O)N(C5(N4C(=O)C(=C3C2=O)O)CCC6C5C
    6)CCN7C(=O)C=CC7=O)Cl)F; c1cc(c(cc1CN2CC
    C3=C4C(=O)N([C@]5(N4C(=O)C(=C3C2=O)O)CC[
    C@H]6[C@@H]5C6)CCN7C(=O)C=CC7=O)Cl)F
    10405 8G5
    ZINC000000306593    		 1 C12 H16 N2 O2 S InChI=1S/C12H16N2O2S/c13-
    11-14-9(7-17-11)8-6-10(15
    )16-12(8)4-2-1-3-5-12/h7-
    8H,1-6H2,(H2,13,14)/t8-/m
    1/s1;
    TYUHVGOUDDESRF-MRVPVSSYSA-N    		 Nc1scc(n1)[C@H]2CC(=O)OC23CCCCC3; c1c(nc
    (s1)N)C2CC(=O)OC23CCCCC3; c1c(nc(s1)N)[C
    @H]2CC(=O)OC23CCCCC3; Nc1scc(n1)[CH]2CC(
    =O)OC23CCCCC3    		 (4R)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one
    10406 8G6
    CHEMBL4453824
    ZINC000000153790    		 1 C13 H10 Cl N3 InChI=1S/C13H10ClN3/c1-9-
    8-13-15-7-6-12(17(13)16-9
    )10-2-4-11(14)5-3-10/h2-8
    H,1H3;
    RHYMWBGMRPCLAC-UHFFFAOYSA-N    		 Cc1cc2nccc(n2n1)c3ccc(Cl)cc3; Cc1cc2nccc
    (n2n1)c3ccc(cc3)Cl    		 7-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidine
    10407 8G7 2 C19 H24 N2 O3 InChI=1S/C19H24N2O3/c1-12
    (2)10-13-11-19(3,7-9-22)2
    4-16-14-6-5-8-20-17(14)21
    (4)18(23)15(13)16/h5-6,8,
    10,13,22H,7,9,11H2,1-4H3/
    t13-,19+/m1/s1;
    VYFXCJIONADTCE-YJYMSZOUSA-N    		 CN1C(=O)C2=C(O[C@@](C)(CCO)C[C@H]2C=C(C)
    C)c3cccnc13; CC(=CC1CC(OC2=C1C(=O)N(c3c2
    cccn3)C)(C)CCO)C; CC(=C[C@@H]1C[C@](OC2=
    C1C(=O)N(c3c2cccn3)C)(C)CCO)C; CN1C(=O)C
    2=C(O[C](C)(CCO)C[CH]2C=C(C)C)c3cccnc13    		 (2R,4S)-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one
    10408 8G8
    ZINC000004243259    		 1 C6 H5 Cl N4 InChI=1S/C6H5ClN4/c1-11-3
    -9-4-2-8-6(7)10-5(4)11/h2
    -3H,1H3;
    AMVDDOZWEOPXRR-UHFFFAOYSA-N    		 Cn1cnc2cnc(Cl)nc12; Cn1cnc2c1nc(nc2)Cl 2-chloranyl-9-methyl-purine
    10409 8G9 2 C26 H45 N5 O5 InChI=1S/C26H45N5O5/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/h14-19,32H,9-13H2,1-8
    H3,(H,27,33)(H,28,34)(H2,
    29,30,36)/t14-,15-,16-,17
    -,18-,19+/m0/s1;
    BKEPDWNBCUBDEN-KOUJMVCDSA-N    		 CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(
    C)(C)C)C(=O)NC(CC3CCNC3=O)CO)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]3CCN
    C3=O)CO)C; CC(C)(C)NC(=O)N[CH](C(=O)N1C[
    CH]2[CH]([CH]1C(=O)N[CH](CO)C[CH]3CCNC3=
    O)C2(C)C)C(C)(C)C; CC(C)(C)NC(=O)N[C@H](
    C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C
    O)C[C@@H]3CCNC3=O)C2(C)C)C(C)(C)C; CC1(C
    )C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)C
    (NC(=O)NC(C)(C)C)C(C)(C)C    		 (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
    10410 8GA 1 C6 H12 O4 Se InChI=1S/C6H12O4Se/c1-11-
    2-3-4(7)5(8)6(9)10-3/h3-9
    H,2H2,1H3/t3-,4-,5-,6+/m1
    /s1;
    UFNQFLPLDXICBS-KAZBKCHUSA-N    		 C[Se]C[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O;
    C[Se]C[C@H]1O[C@H](O)[C@H](O)[C@@H]1O;
    C[Se]CC1OC(O)C(O)C1O; C[Se]CC1C(C(C(O1)O
    )O)O; C[Se]C[CH]1O[CH](O)[CH](O)[CH]1O    		 5-Se-methyl-5-seleno-alpha-D-ribofuranose;
    5-Se-methyl-5-seleno-alpha-D-ribose;
    5-Se-methyl-5-seleno-D-ribose;
    5-Se-methyl-5-seleno-ribose
    10411 8GB
    ZINC000003267981    		 1 C9 H8 Cl2 O2 InChI=1S/C9H8Cl2O2/c1-5(1
    2)8-3-7(11)2-6(4-10)9(8)1
    3/h2-3,13H,4H2,1H3;
    WWNJCGKNKZXVIS-UHFFFAOYSA-N    		 CC(=O)c1cc(cc(c1O)CCl)Cl; CC(=O)c1cc(Cl)
    cc(CCl)c1O    		 1-[5-chloranyl-3-(chloromethyl)-2-oxidanyl-phenyl]ethanone
    10412 8GC
    CHEMBL71733
    DB11710
    ZINC000000155368    		 4 C7 H9 N2 O InChI=1S/C7H8N2O/c1-9-4-2
    -3-6(5-9)7(8)10/h2-5H,1H3
    ,(H-,8,10)/p+1;
    LDHMAVIPBRSVRG-UHFFFAOYSA-O    		 C[n+]1cccc(c1)C(N)=O; C[n+]1cccc(c1)C(=O
    )N; C(N)(=O)c1ccc[n+](C)c1    		 3-carbamoyl-1-methylpyridin-1-ium;
    1-methylnicotinamide
    10413 8GD
    ZINC000058638349    		 6 C10 H15 N5 O11 P2 InChI=1S/C10H15N5O11P2/c1
    1-9-13-7-6(8(17)14-9)12-1
    0(18)15(7)5-1-3(16)4(25-5
    )2-24-28(22,23)26-27(19,2
    0)21/h3-5,16H,1-2H2,(H,12
    ,18)(H,22,23)(H2,19,20,21
    )(H3,11,13,14,17)/t3-,4+,
    5+/m0/s1;
    LJMLTZSNWOCYNQ-VPENINKCSA-N    		 C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3
    )N)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O; NC1=
    NC2=C(NC(=O)N2[C@H]3C[C@H](O)[C@@H](CO[P
    ](O)(=O)O[P](O)(O)=O)O3)C(=O)N1; NC1=NC2
    =C(NC(=O)N2[CH]3C[CH](O)[CH](CO[P](O)(=O
    )O[P](O)(O)=O)O3)C(=O)N1; C1C(C(OC1N2C3=
    C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)OP(=O)(O
    )O)O    		 2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate);
    8-oxo-7,8-dihydro-2'-deoxy-guanosine-5'-diphosphate
    10414 8GE
    CHEMBL3764340
    ZINC000653713005    		 1 C14 H12 N2 O2 S InChI=1S/C14H12N2O2S/c15-
    19(17,18)12-7-5-10(6-8-12
    )14-9-11-3-1-2-4-13(11)16
    -14/h1-9,16H,(H2,15,17,18
    );
    FQMXYEJYLSYDSS-UHFFFAOYSA-N    		 c1ccc2c(c1)cc([nH]2)c3ccc(cc3)S(=O)(=O)N
    ; N[S](=O)(=O)c1ccc(cc1)c2[nH]c3ccccc3c2    		 4-(1~{H}-indol-2-yl)benzenesulfonamide
    10415 8GF
    CHEMBL4579021
    ZINC000000333686    		 1 C5 H7 N3 InChI=1S/C5H7N3/c1-4-7-3-
    2-5(6)8-4/h2-3H,1H3,(H2,6
    ,7,8);
    GKVDLTTVBNOGNJ-UHFFFAOYSA-N    		 Cc1nccc(N)n1; Cc1nccc(n1)N 2-methylpyrimidin-4-amine;
    2-methyl-4-aminopyrimidine
    10416 8GG 1 C6 H12 O4 Se InChI=1S/C6H12O4Se/c1-11-
    2-3-4(7)5(8)6(9)10-3/h3-9
    H,2H2,1H3/t3-,4-,5-,6-/m1
    /s1;
    UFNQFLPLDXICBS-KVTDHHQDSA-N    		 C[Se]C[C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O
    ; O1C(C[Se]C)C(C(C1O)O)O; C[Se]CC1C(C(C(
    O1)O)O)O; C[Se]C[CH]1O[CH](O)[CH](O)[CH]
    1O; C[Se]C[C@H]1O[C@@H](O)[C@H](O)[C@@H]
    1O    		 5-Se-methyl-5-seleno-beta-D-ribofuranose;
    5-Se-methyl-5-seleno-beta-D-ribose;
    5-Se-methyl-5-seleno-D-ribose;
    5-Se-methyl-5-seleno-ribose
    10417 8GH
    CHEMBL3763884
    ZINC000653689012    		 1 C16 H15 N3 O2 S InChI=1S/C16H15N3O2S/c17-
    22(20,21)16-8-6-15(7-9-16
    )14-4-2-13(3-5-14)12-19-1
    1-1-10-18-19/h1-11H,12H2,
    (H2,17,20,21);
    ISHVKZQPCLEIEP-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(cc1)c2ccc(Cn3cccn3)cc2
    ; c1cnn(c1)Cc2ccc(cc2)c3ccc(cc3)S(=O)(=O
    )N    		 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
    10418 8GI
    CHEMBL3183703
    ZINC000034025113    		 10 C20 H24 N2 O5 S InChI=1S/C20H24N2O5S/c1-2
    0(2,24)14-10-17(27-11-14)
    28(25,26)22-19(23)21-18-1
    5-7-3-5-12(15)9-13-6-4-8-
    16(13)18/h9-11,24H,3-8H2,
    1-2H3,(H2,21,22,23);
    HUUSXLKCTQDPGL-UHFFFAOYSA-N    		 CC(C)(c1cc(oc1)S(=O)(=O)NC(=O)Nc2c3c(cc4
    c2CCC4)CCC3)O; CC(C)(O)c1coc(c1)[S](=O)(
    =O)NC(=O)Nc2c3CCCc3cc4CCCc24    		 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea
    10419 8GJ
    CHEMBL2023402
    ZINC000072315409    		 2 C18 H21 F N2 O6 S InChI=1S/C18H21FN2O6S/c1-
    18(17(23)20-24,28(3,25)26
    )7-9-21-8-6-12(10-16(21)2
    2)14-5-4-13(27-2)11-15(14
    )19/h4-6,8,10-11,24H,7,9H
    2,1-3H3,(H,20,23)/t18-/m1
    /s1;
    DNVUWHWBCMGQLU-GOSISDBHSA-N    		 C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2F)OC)(C(
    =O)NO)S(=O)(=O)C; C2(c1ccc(cc1F)OC)=CC(N
    (C=C2)CCC(C)(S(C)(=O)=O)C(NO)=O)=O; COc1
    ccc(c(F)c1)C2=CC(=O)N(CC[C@](C)(C(=O)NO)
    [S](C)(=O)=O)C=C2; CC(CCN1C=CC(=CC1=O)c2
    ccc(cc2F)OC)(C(=O)NO)S(=O)(=O)C; COc1ccc
    (c(F)c1)C2=CC(=O)N(CC[C](C)(C(=O)NO)[S](
    C)(=O)=O)C=C2    		 (2R)-4-[4-(2-fluoro-4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
    10420 8GK
    CHEMBL115468
    ZINC000004706544    		 7 C11 H9 N O2 InChI=1S/C11H9NO2/c13-11(
    12-14)10-7-3-5-8-4-1-2-6-
    9(8)10/h1-7,14H,(H,12,13);
    JRZGPWOEHDOVMC-UHFFFAOYSA-N    		 ONC(=O)c1cccc2ccccc12; c1ccc2c(c1)cccc2C
    (=O)NO    		 ~{N}-oxidanylnaphthalene-1-carboxamide
    10421 8GL 7 C5 H9 N O5 InChI=1S/C5H9NO5/c6-5(11,
    4(9)10)2-1-3(7)8/h11H,1-2
    ,6H2,(H,7,8)(H,9,10)/t5-/
    m0/s1;
    GXSDWXSYZHGBBO-YFKPBYRVSA-N    		 N[C](O)(CCC(O)=O)C(O)=O; N[C@](O)(CCC(O)
    =O)C(O)=O; C(CC(C(=O)O)(N)O)C(=O)O; C(C[
    C@](C(=O)O)(N)O)C(=O)O    		 (2S)-2-azanyl-2-oxidanyl-pentanedioic acid
    10422 8GM
    ZINC000013548131    		 2 C10 H14 N5 O9 P InChI=1S/C10H14N5O9P/c11-
    9-13-6-3(7(18)14-9)12-10(
    19)15(6)8-5(17)4(16)2(24-
    8)1-23-25(20,21)22/h2,4-5
    ,8,16-17H,1H2,(H,12,19)(H
    2,20,21,22)(H3,11,13,14,1
    8)/t2-,4-,5-,8-/m1/s1;
    MDSQIQSLWQTQDK-UMMCILCDSA-N    		 NC1=NC2=C(NC(=O)N2[C@@H]3O[C@H](CO[P](O)
    (O)=O)[C@@H](O)[C@H]3O)C(=O)N1; NC1=NC2=
    C(NC(=O)N2[CH]3O[CH](CO[P](O)(O)=O)[CH](
    O)[CH]3O)C(=O)N1; C(C1C(C(C(O1)N2C3=C(C(
    =O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)O; C([C@@
    H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(
    =N3)N)NC2=O)O)O)OP(=O)(O)O    		 [(2R,3S,4R,5R)-5-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate;
    8-oxoguanosine-5'-phosphate
    10423 8GN 1 C24 H29 N9 O InChI=1S/C24H29N9O/c1-15(
    34)27-20-10-18(6-7-21(20)
    32-9-8-19(14-32)31(2)3)28
    -22-11-23(29-17-4-5-17)33
    -24(30-22)16(12-25)13-26-
    33/h6-7,10-11,13,17,19,29
    H,4-5,8-9,14H2,1-3H3,(H,2
    7,34)(H,28,30)/t19-/m1/s1;
    PAKOVKWPBKKYGI-LJQANCHMSA-N    		 CN(C)[C@@H]1CCN(C1)c2ccc(Nc3cc(NC4CC4)n5
    ncc(C#N)c5n3)cc2NC(C)=O; CC(=O)Nc1cc(ccc
    1N2CC[C@H](C2)N(C)C)Nc3cc(n4c(n3)c(cn4)C
    #N)NC5CC5; CN(C)[CH]1CCN(C1)c2ccc(Nc3cc(
    NC4CC4)n5ncc(C#N)c5n3)cc2NC(C)=O; CC(=O)
    Nc1cc(ccc1N2CCC(C2)N(C)C)Nc3cc(n4c(n3)c(
    cn4)C#N)NC5CC5    		 ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide
    10424 8GO
    CHEMBL5171560    		 2 C21 H28 N2 O3 InChI=1S/C21H28N2O3/c1-6-
    23-19-16(8-7-14(4)22-19)1
    8-17(20(23)25)15(11-13(2)
    3)12-21(5,26-18)9-10-24/h
    7-8,11,15,24H,6,9-10,12H2
    ,1-5H3/t15-,21+/m1/s1;
    IOKJCBWLGAJZFW-VFNWGFHPSA-N    		 CCN1c2c(ccc(n2)C)C3=C(C1=O)[C@@H](C[C@](
    O3)(C)CCO)C=C(C)C; CCN1c2c(ccc(n2)C)C3=C
    (C1=O)C(CC(O3)(C)CCO)C=C(C)C; CCN1C(=O)C
    2=C(O[C](C)(CCO)C[CH]2C=C(C)C)c3ccc(C)nc
    13; CCN1C(=O)C2=C(O[C@@](C)(CCO)C[C@H]2C
    =C(C)C)c3ccc(C)nc13    		 (2R,4S)-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one
    10425 8GP
    CHEMBL1230626
    ZINC000016052004    		 1 C11 H18 N2 O7 InChI=1S/C11H18N2O7/c14-3
    -5-6(15)7(16)8(17)11(20-5
    )13-10(19)9(18)12-4-1-2-4
    /h4-8,11,14-17H,1-3H2,(H,
    12,18)(H,13,19)/t5-,6-,7+
    ,8-,11-/m1/s1;
    ZDEMZENRHYGLSV-NEBGFLKFSA-N    		 OC[CH]1O[CH](NC(=O)C(=O)NC2CC2)[CH](O)[C
    H](O)[CH]1O; OC[C@H]1O[C@@H](NC(=O)C(=O)
    NC2CC2)[C@H](O)[C@@H](O)[C@@H]1O; C1CC1N
    C(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@
    H](O2)CO)O)O)O; C1CC1NC(=O)C(=O)NC2C(C(C
    (C(O2)CO)O)O)O; O=C(NC1OC(C(O)C(O)C1O)CO
    )C(=O)NC2CC2    		 N-[(cyclopropylamino)(oxo)acetyl]-beta-D-glucopyranosylamine;
    N-(BETA-D-GLUCOPYRANOSYL)-N'-CYCLOPROPYL OXALAMIDE;
    N-[(cyclopropylamino)(oxo)acetyl]-beta-D-glucosylamine;
    N-[(cyclopropylamino)(oxo)acetyl]-D-glucosylamine;
    N-[(cyclopropylamino)(oxo)acetyl]-glucosylamine
    10426 8GQ
    CHEMBL4094351    		 3 C25 H25 N7 O4 InChI=1S/C25H25N7O4/c26-1
    1-16-12-27-32-22-10-21(29
    -25(16)32)31-13-19(9-18(3
    1)14-33)35-5-1-2-6-36-20-
    8-17(28-22)7-15-3-4-23(34
    )30-24(15)20/h1-2,7-8,10,
    12,18-19,28,33H,3-6,9,13-
    14H2,(H,30,34)/b2-1+/t18-
    ,19-/m0/s1;
    SABLEOBBNNRHAD-WNJMFGOSSA-N    		 OC[C@@H]1C[C@H]2C[N@@]1c3cc(Nc4cc5CCC(=O
    )Nc5c(OC\C=C\CO2)c4)n6ncc(C#N)c6n3; c1c2
    cc(c3c1CCC(=O)N3)OC/C=C/CO[C@H]4C[C@H](N
    (C4)c5cc(n6c(n5)c(cn6)C#N)N2)CO; OC[CH]1
    C[CH]2C[N]1c3cc(Nc4cc5CCC(=O)Nc5c(OCC=CC
    O2)c4)n6ncc(C#N)c6n3; c1c2cc(c3c1CCC(=O)
    N3)OCC=CCOC4CC(N(C4)c5cc(n6c(n5)c(cn6)C#
    N)N2)CO    		 pyrazolo-pyrimidine macrocycle
    10427 8GR
    CHEMBL2147763
    ZINC000095561662    		 1 C23 H23 N3 O3 InChI=1S/C23H23N3O3/c1-28
    -20-7-6-17-22(27)21(12-15
    -13-25-19-5-3-2-4-16(15)1
    9)29-23(17)18(20)14-26-10
    -8-24-9-11-26/h2-7,12-13,
    24-25H,8-11,14H2,1H3/b21-
    12-;
    ZSHOEUJOJHPBFX-MTJSOVHGSA-N    		 COc1ccc2C(=O)C(Oc2c1CN3CCNCC3)=Cc4c[nH]c
    5ccccc45; COc1ccc2c(c1CN3CCNCC3)OC(=Cc4c
    [nH]c5c4cccc5)C2=O; COc1ccc2C(=O)\C(Oc2c
    1CN3CCNCC3)=C\c4c[nH]c5ccccc45; COc1ccc2
    c(c1CN3CCNCC3)O/C(=C\c4c[nH]c5c4cccc5)/C
    2=O    		 (2Z)-2-(1H-indol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3-one
    10428 8GS
    CHEMBL3952214    		 2 C18 H17 N5 O InChI=1S/C18H17N5O/c1-12(
    2)23-11-19-21-17(23)15-8-
    5-9-16(20-15)22-10-13-6-3
    -4-7-14(13)18(22)24/h3-9,
    11-12H,10H2,1-2H3;
    NDBJFFCSTXBTFV-UHFFFAOYSA-N    		 c4n(c(c3cccc(N2C(c1c(cccc1)C2)=O)n3)nn4)
    C(C)C; CC(C)n1cnnc1c2cccc(n2)N3Cc4ccccc4
    C3=O    		 2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one
    10429 8GT
    CHEMBL1230627
    ZINC000058650735    		 44 C10 H16 N5 O15 P3 InChI=1S/C10H16N5O15P3/c1
    1-9-13-6-3(7(18)14-9)12-1
    0(19)15(6)8-5(17)4(16)2(2
    8-8)1-27-32(23,24)30-33(2
    5,26)29-31(20,21)22/h2,4-
    5,8,16-17H,1H2,(H,12,19)(
    H,23,24)(H,25,26)(H2,20,2
    1,22)(H3,11,13,14,18)/t2-
    ,4-,5-,8-/m1/s1;
    JCHLKIQZUXYLPW-UMMCILCDSA-N    		 C(C1C(C(C(O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)
    O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O; C([C@@
    H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(
    =N3)N)NC2=O)O)O)O[P@@](=O)(O)O[P@@](=O)(
    O)OP(=O)(O)O; NC1=NC2=C(NC(=O)N2[C@@H]3O
    [C@H](CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O
    )=O)[C@@H](O)[C@H]3O)C(=O)N1; NC1=NC2=C(
    NC(=O)N2[CH]3O[CH](CO[P](O)(=O)O[P](O)(=
    O)O[P](O)(O)=O)[CH](O)[CH]3O)C(=O)N1; O=
    P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N2C(=O)N
    C1=C2N=C(N)NC1=O)C(O)C3O    		 8-OXO-GUANOSINE-5'-TRIPHOSPHATE
    10430 8GU
    CHEMBL2147770
    ZINC000095562411    		 1 C22 H22 N4 O3 InChI=1S/C22H22N4O3/c1-28
    -18-5-4-15-21(27)19(11-14
    -12-25-17-3-2-6-24-20(14)
    17)29-22(15)16(18)13-26-9
    -7-23-8-10-26/h2-6,11-12,
    23,25H,7-10,13H2,1H3/b19-
    11-;
    SNFXRDPAATZIPK-ODLFYWEKSA-N    		 COc1ccc2c(c1CN3CCNCC3)O/C(=C\c4c[nH]c5c4
    nccc5)/C2=O; COc1ccc2C(=O)C(Oc2c1CN3CCNC
    C3)=Cc4c[nH]c5cccnc45; COc1ccc2C(=O)/C(O
    c2c1CN3CCNCC3)=C/c4c[nH]c5cccnc45; COc1c
    cc2c(c1CN3CCNCC3)OC(=Cc4c[nH]c5c4nccc5)C
    2=O    		 (2Z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one
    10431 8GV
    CHEMBL3946139    		 2 C24 H28 N6 O3 InChI=1S/C24H28N6O3/c1-16
    (2)30-15-25-27-23(30)21-5
    -4-6-22(26-21)29-12-17-7-
    8-18(11-20(17)24(29)31)33
    -14-19-13-28(3)9-10-32-19
    /h4-8,11,15-16,19H,9-10,1
    2-14H2,1-3H3/t19-/m0/s1;
    NRGCVZHEQBOONX-IBGZPJMESA-N    		 CC(C)n1cnnc1c2cccc(n2)N3Cc4ccc(OC[C@@H]5
    CN(C)CCO5)cc4C3=O; CC(C)n1cnnc1c2cccc(n2
    )N3Cc4ccc(OC[CH]5CN(C)CCO5)cc4C3=O; CC(C
    )n1cnnc1c2cccc(n2)N3Cc4ccc(cc4C3=O)OCC5C
    N(CCO5)C; CC(C)n1cnnc1c2cccc(n2)N3Cc4ccc
    (cc4C3=O)OC[C@@H]5CN(CCO5)C; n1cn(c(n1)c
    2cccc(n2)N5Cc3c(cc(cc3)OCC4CN(C)CCO4)C5=
    O)C(C)C    		 6-{[(2S)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one
    10432 8GW 1 C31 H52 N6 O6 InChI=1S/C31H52N6O6/c1-29
    (2,3)23(35-28(43)36-30(4,
    5)6)27(42)37-15-18-20(31(
    18,7)8)21(37)25(40)34-19(
    13-17-11-12-32-24(17)39)2
    2(38)26(41)33-14-16-9-10-
    16/h16-23,38H,9-15H2,1-8H
    3,(H,32,39)(H,33,41)(H,34
    ,40)(H2,35,36,43)/t17-,18
    -,19-,20-,21-,22+,23+/m0/
    s1;
    RTEPKJZIQYUGOI-BLTUZGSGSA-N    		 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@H](C(=O)NCC4CC4)O)C; CC1
    (C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(
    C)C)C(=O)NC(CC3CCNC3=O)C(C(=O)NCC4CC4)O)
    C; CC(C)(C)NC(=O)N[CH](C(=O)N1C[CH]2[CH]
    ([CH]1C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(
    =O)NCC4CC4)C2(C)C)C(C)(C)C; 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@@H](O)C(=O)N
    CC4CC4)C2(C)C)C(C)(C)C; CC1(C)C2C(C(=O)N
    C(CC3CCNC3=O)C(O)C(=O)NCC3CC3)N(CC21)C(=
    O)C(NC(=O)NC(C)(C)C)C(C)(C)C    		 (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
    10433 8GX
    CHEMBL2147768
    ZINC000095562062    		 1 C22 H22 N4 O3 InChI=1S/C22H22N4O3/c1-28
    -19-3-2-16-21(27)20(10-14
    -11-25-18-12-24-5-4-15(14
    )18)29-22(16)17(19)13-26-
    8-6-23-7-9-26/h2-5,10-12,
    23,25H,6-9,13H2,1H3/b20-1
    0-;
    GZVLKFFYCJUAPT-JMIUGGIZSA-N    		 COc1ccc2C(=O)C(Oc2c1CN3CCNCC3)=Cc4c[nH]c
    5cnccc45; COc1ccc2C(=O)\C(Oc2c1CN3CCNCC3
    )=C\c4c[nH]c5cnccc45; COc1ccc2c(c1CN3CCN
    CC3)OC(=Cc4c[nH]c5c4ccnc5)C2=O; COc1ccc2
    c(c1CN3CCNCC3)O/C(=C\c4c[nH]c5c4ccnc5)/C
    2=O    		 (2Z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-c]pyridin-3-ylmethylidene)-1-benzofuran-3-one
    10434 8GY
    CHEMBL3954836    		 2 C21 H23 N5 O3 InChI=1S/C21H23N5O3/c1-13
    (2)29-16-8-7-15-10-25(21(
    28)17(15)9-16)19-6-4-5-18
    (23-19)20-24-22-12-26(20)
    14(3)11-27/h4-9,12-14,27H
    ,10-11H2,1-3H3/t14-/m1/s1;
    ATENFOTVOKHAOY-CQSZACIVSA-N    		 CC(C)Oc1ccc2c(c1)C(=O)N(C2)c3cccc(n3)c4n
    ncn4C(C)CO; CC(C)Oc1ccc2CN(C(=O)c2c1)c3c
    ccc(n3)c4nncn4[C@H](C)CO; CC(C)Oc1ccc2CN
    (C(=O)c2c1)c3cccc(n3)c4nncn4[CH](C)CO; C
    [C@H](CO)n1cnnc1c2cccc(n2)N3Cc4ccc(cc4C3
    =O)OC(C)C; c1(OC(C)C)ccc4c(c1)C(N(c3cccc
    (c2n(cnn2)C(CO)C)n3)C4)=O    		 2-(6-{4-[(2R)-1-hydroxypropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)-6-[(propan-2-yl)oxy]-2,3-dihydro-1H-isoindol-1-one
    10435 8GZ
    ZINC000000391905    		 2 C5 H11 N O InChI=1S/C5H11NO/c7-4-5-2
    -1-3-6-5/h5-7H,1-4H2/t5-/
    m1/s1;
    HVVNJUAVDAZWCB-RXMQYKEDSA-N    		 OC[C@H]1CCCN1; C1CC(NC1)CO; C1C[C@@H](NC
    1)CO; OC[CH]1CCCN1    		 D-Prolinol;
    [(2~{R})-pyrrolidin-2-yl]methanol;
    [(2R)-pyrrolidin-2-yl]methanol;
    (pyrrolidin-2-yl)methanol;
    (2R)-pyrrolidin-2-ylmethanol
    10436 8H0 1 C23 H26 N6 O InChI=1S/C23H26N6O/c1-2-3
    -15-10-17-13-25-23(27-18-
    5-4-16-14-26-29-20(16)12-
    18)28-22(17)21(11-15)30-1
    9-6-8-24-9-7-19/h4-5,10-1
    4,19,24H,2-3,6-9H2,1H3,(H
    ,26,29)(H,25,27,28);
    FBHTUGHTOZWUFL-UHFFFAOYSA-N    		 CCCc1cc2cnc(nc2c(c1)OC3CCNCC3)Nc4ccc5cn[
    nH]c5c4; CCCc1cc(OC2CCNCC2)c3nc(Nc4ccc5c
    n[nH]c5c4)ncc3c1    		 N-(1H-indazol-6-yl)-8-piperidin-4-yloxy-6-propyl-quinazolin-2-amine
    10437 8H1
    CHEMBL1097602
    ZINC000044674961    		 1 C28 H27 N5 O3 InChI=1S/C28H27N5O3/c1-34
    -26-11-22-21-10-24(33-28(
    30)23(21)15-32-25(22)12-2
    7(26)35-2)18-9-20(14-31-1
    3-18)36-16-19(29)8-17-6-4
    -3-5-7-17/h3-7,9-15,19H,8
    ,16,29H2,1-2H3,(H2,30,33)
    /t19-/m0/s1;
    XNXUJUXYVTYIGP-IBGZPJMESA-N    		 COc1cc2ncc3c(N)nc(cc3c2cc1OC)c4cncc(OC[C
    H](N)Cc5ccccc5)c4; n2c1cc(OC)c(OC)cc1c5c
    (c2)c(nc(c4cc(OCC(N)Cc3ccccc3)cnc4)c5)N;
    COc1cc2c3cc(nc(c3cnc2cc1OC)N)c4cc(cnc4)
    OCC(Cc5ccccc5)N; COc1cc2c3cc(nc(c3cnc2cc
    1OC)N)c4cc(cnc4)OC[C@H](Cc5ccccc5)N; COc
    1cc2ncc3c(N)nc(cc3c2cc1OC)c4cncc(OC[C@@H
    ](N)Cc5ccccc5)c4    		 2-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine
    10438 8H2 0 ? InChI=1S/C10H14N5O5PSe/c1
    1-10-13-8-7(9(17)14-10)12
    -3-15(8)6-1-4(16)5(20-6)2
    -19-21(18)22/h3-6,16,18,2
    2H,1-2H2,(H3,11,13,14,17)
    /t4-,5+,6+,21-/m0/s1;
    VRWXFLMARXKZIY-LPPWAWCDSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](C
    O[P](O)[SeH])O3; c1nc2c(n1C3CC(C(O3)COP(
    O)[SeH])O)N=C(NC2=O)N; c1nc2c(n1[C@H]3C[
    C@@H]([C@H](O3)CO[P@](O)[SeH])O)N=C(NC2=
    O)N; NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O
    )[C@@H](CO[P@](O)[SeH])O3    		 [(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphinous acid
    10439 8H3 1 C31 H54 N6 O6 InChI=1S/C31H54N6O6/c1-10
    -11-13-32-26(41)22(38)19(
    15-17-12-14-33-24(17)39)3
    4-25(40)21-20-18(31(20,8)
    9)16-37(21)27(42)23(29(2,
    3)4)35-28(43)36-30(5,6)7/
    h17-23,38H,10-16H2,1-9H3,
    (H,32,41)(H,33,39)(H,34,4
    0)(H2,35,36,43)/t17-,18-,
    19-,20-,21-,22+,23+/m0/s1;
    CYAFTCDKLGXDCI-BLTUZGSGSA-N    		 CCCCNC(=O)[C@@H]([C@H](C[C@@H]1CCNC1=O)N
    C(=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)O; CCCCN
    C(=O)[CH](O)[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; CCCCNC(=O)[C@H](O)[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; CCCCNC(=O)C(C(CC1CCNC1=O)NC(
    =O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O
    )NC(C)(C)C)O; CC1(C)C2C(C(=O)NC(CC3CCNC3
    =O)C(O)C(=O)NCCCC)N(CC21)C(=O)C(NC(=O)NC
    (C)(C)C)C(C)(C)C    		 (1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
    10440 8H4
    CHEMBL17551
    ZINC000000152290    		 0 C7 H7 N3 InChI=1S/C7H7N3/c8-6-1-2-
    7-5(3-6)4-9-10-7/h1-4H,8H
    2,(H,9,10);
    XBTOSRUBOXQWBO-UHFFFAOYSA-N    		 c1cc2c(cc1N)cn[nH]2; Nc1ccc2[nH]ncc2c1 1~{H}-indazol-5-amine
    10441 8H5
    CHEMBL551369
    ZINC000085564414    		 4 C27 H33 N3 O7 InChI=1S/C27H33N3O7/c1-14
    (2)11-20-29-18-12-15(35-5
    )8-9-16(18)21-22(29)19(13
    -26(3,4)37-36-20)30-24(32
    )17-7-6-10-28(17)25(33)27
    (30,34)23(21)31/h8-9,11-1
    2,17,19-20,23,31,34H,6-7,
    10,13H2,1-5H3/t17-,19-,20
    +,23-,27+/m0/s1;
    LRXYHMMJJCTUMY-GWXUGYLUSA-N    		 COc1ccc2c(c1)n3[CH](OOC(C)(C)C[CH]4N5C(=
    O)[CH]6CCCN6C(=O)[C]5(O)[CH](O)c2c34)C=C
    (C)C; COc1ccc2c(c1)n3[C@H](OOC(C)(C)C[C@
    @H]4N5C(=O)[C@@H]6CCCN6C(=O)[C@]5(O)[C@@
    H](O)c2c34)C=C(C)C; CC(=CC1n2c3cc(ccc3c4
    c2C(CC(OO1)(C)C)N5C(=O)C6CCCN6C(=O)C5(C4
    O)O)OC)C; CC(=C[C@@H]1n2c3cc(ccc3c4c2[C@
    H](CC(OO1)(C)C)N5C(=O)[C@@H]6CCCN6C(=O)[
    C@@]5([C@H]4O)O)OC)C    		 Verruculogen
    10442 8H6 4 C17 H30 N2 O6 S InChI=1S/C17H30N2O6S/c1-5
    -12(21)11(2)16(25)26-9-8-
    18-13(22)6-7-19-15(24)14(
    23)17(3,4)10-20/h11,14,20
    ,23H,5-10H2,1-4H3,(H,18,2
    2)(H,19,24)/t11-,14+/m1/s
    1;
    JDSOHAIZYDPIDP-RISCZKNCSA-N    		 CCC(=O)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C
    @H](O)C(C)(C)CO; CCC(=O)[C@@H](C)C(=O)SC
    CNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O; CCC(=
    O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)CO)
    O; CCC(=O)[CH](C)C(=O)SCCNC(=O)CCNC(=O)[
    CH](O)C(C)(C)CO    		 S-[2-[3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethyl] (2R)-2-methyl-3-oxidanylidene-pentanethioate
    10443 8H7 7 C34 H29 N3 O6 InChI=1S/C34H29N3O6/c1-20
    -26(24-10-4-3-5-11-24)12-
    7-13-29(20)37-32(39)27-15
    -25(18-36-31(21(2)38)34(4
    1)42)30(16-28(27)33(37)40
    )43-19-23-9-6-8-22(14-23)
    17-35/h3-16,21,31,36,38H,
    18-19H2,1-2H3,(H,41,42)/t
    21-,31-/m0/s1;
    KFUYSOVWQASPQA-BGOLNKOXSA-N    		 C[CH](O)[CH](NCc1cc2C(=O)N(C(=O)c2cc1OCc
    3cccc(c3)C#N)c4cccc(c4C)c5ccccc5)C(O)=O;
    Cc1c(cccc1N2C(=O)c3cc(c(cc3C2=O)OCc4ccc
    c(c4)C#N)CNC(C(C)O)C(=O)O)c5ccccc5; C[C@
    H](O)[C@H](NCc1cc2C(=O)N(C(=O)c2cc1OCc3c
    ccc(c3)C#N)c4cccc(c4C)c5ccccc5)C(O)=O; C
    c1c(cccc1N2C(=O)c3cc(c(cc3C2=O)OCc4cccc(
    c4)C#N)CN[C@@H]([C@H](C)O)C(=O)O)c5ccccc
    5    		 (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid
    10444 8H8
    ZINC000000161696    		 13 C7 H4 F N O InChI=1S/C7H4FNO/c8-7-3-6
    (10)2-1-5(7)4-9/h1-3,10H;
    REIVHYDACHXPNH-UHFFFAOYSA-N    		 c1cc(c(cc1O)F)C#N; Oc1ccc(C#N)c(F)c1; Fc
    1c(C#N)ccc(O)c1    		 2-fluoro-4-hydroxybenzonitrile
    10445 8H9 1 C33 H58 N6 O6 InChI=1S/C33H58N6O6/c1-10
    -11-12-13-15-34-28(43)24(
    40)21(17-19-14-16-35-26(1
    9)41)36-27(42)23-22-20(33
    (22,8)9)18-39(23)29(44)25
    (31(2,3)4)37-30(45)38-32(
    5,6)7/h19-25,40H,10-18H2,
    1-9H3,(H,34,43)(H,35,41)(
    H,36,42)(H2,37,38,45)/t19
    -,20-,21-,22-,23-,24+,25+
    /m0/s1;
    NSGOBCXXBBPKSX-FQCPSNFCSA-N    		 CCCCCCNC(=O)[C@H](O)[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; CCCC
    CCNC(=O)[CH](O)[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; CCCCCCNC(=O)[C@@H](
    [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)N
    C(=O)NC(C)(C)C)O; CC1(C)C2C(C(=O)NC(CC3C
    CNC3=O)C(O)C(=O)NCCCCCC)N(CC21)C(=O)C(NC
    (=O)NC(C)(C)C)C(C)(C)C; CCCCCCNC(=O)C(C(
    CC1CCNC1=O)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(
    C(C)(C)C)NC(=O)NC(C)(C)C)O    		 (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(hexylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
    10446 8HA 1 C21 H23 Br N4 O3 InChI=1S/C21H23BrN4O3/c1-
    13-6-7-14(12-18(13)29-2)2
    3-20(27)25-10-8-15(9-11-2
    5)26-17-5-3-4-16(22)19(17
    )24-21(26)28/h3-7,12,15H,
    8-11H2,1-2H3,(H,23,27)(H,
    24,28);
    JGPXNMHYCZPDRK-UHFFFAOYSA-N    		 Cc1ccc(cc1OC)NC(=O)N2CCC(CC2)N3c4cccc(c4
    NC3=O)Br; COc1cc(NC(=O)N2CCC(CC2)N3C(=O)
    Nc4c(Br)cccc34)ccc1C    		 4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(3-methoxy-4-methyl-phenyl)piperidine-1-carboxamide
    10447 8HB 6 C24 H40 N7 O18 P3 S InChI=1S/C24H40N7O18P3S/c
    1-12(23(36)37)53-7-6-26-1
    4(32)4-5-27-21(35)18(34)2
    4(2,3)9-46-52(43,44)49-51
    (41,42)45-8-13-17(48-50(3
    8,39)40)16(33)22(47-13)31
    -11-30-15-19(25)28-10-29-
    20(15)31/h10-13,16-18,22,
    33-34H,4-9H2,1-3H3,(H,26,
    32)(H,27,35)(H,36,37)(H,4
    1,42)(H,43,44)(H2,25,28,2
    9)(H2,38,39,40)/t12-,13+,
    16+,17+,18-,22+/m0/s1;
    ULCSPOREAVNZTJ-IBNUZSNCSA-N    		 C[CH](SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[
    P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)
    [CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)C(O)=
    O; C[C@@H](C(=O)O)SCCNC(=O)CCNC(=O)[C@@H
    ](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@
    H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=
    O)(O)O)O; C[C@H](SCCNC(=O)CCNC(=O)[C@H](
    O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C@H]1
    O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc
    3c(N)ncnc23)C(O)=O; CC(C(=O)O)SCCNC(=O)C
    CNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C
    (C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O    		 (2~{S})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]propanoic acid
    10448 8HC
    CHEMBL1368601
    ZINC000000066137    		 5 C10 H7 N O3 InChI=1S/C10H7NO3/c12-8-3
    -1-2-6-4-5-7(10(13)14)11-
    9(6)8/h1-5,12H,(H,13,14);
    UHBIKXOBLZWFKM-UHFFFAOYSA-N    		 O=C(O)c1nc2c(O)cccc2cc1; OC(=O)c1ccc2ccc
    c(O)c2n1; c1cc2ccc(nc2c(c1)O)C(=O)O    		 8-hydroxyquinoline-2-carboxylic acid
    10449 8HD
    CHEMBL3627877
    ZINC000198035775    		 2 C35 H42 N4 O7 S InChI=1S/C35H42N4O7S/c1-2
    4(2)19-39(47(44,45)30-15-
    13-27(22-40)14-16-30)20-3
    2(41)31(17-26-9-6-5-7-10-
    26)37-34(42)28-11-8-12-29
    (18-28)35(43)38(4)21-33-3
    6-25(3)23-46-33/h5-16,18,
    23-24,31-32,40-41H,17,19-
    22H2,1-4H3,(H,37,42)/t31-
    ,32+/m0/s1;
    PQWSVCGBIGOYSI-AJQTZOPKSA-N    		 c4(ccc(S(=O)(N(CC(C)C)CC(O)C(NC(=O)c1ccc
    c(c1)C(=O)N(C)Cc2nc(co2)C)Cc3ccccc3)=O)c
    c4)CO; CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC
    (=O)c2cccc(c2)C(=O)N(C)Cc3occ(C)n3)[S](=
    O)(=O)c4ccc(CO)cc4; Cc1coc(n1)CN(C)C(=O)
    c2cccc(c2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](
    CN(CC(C)C)S(=O)(=O)c4ccc(cc4)CO)O; CC(C)
    CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c2ccc
    c(c2)C(=O)N(C)Cc3occ(C)n3)[S](=O)(=O)c4c
    cc(CO)cc4; Cc1coc(n1)CN(C)C(=O)c2cccc(c2
    )C(=O)NC(Cc3ccccc3)C(CN(CC(C)C)S(=O)(=O)
    c4ccc(cc4)CO)O    		 N~3~-{(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}-N~1~-methyl-N~1~-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide
    10450 8HE
    CHEMBL3763508
    ZINC000653807539    		 2 C13 H10 N2 O2 S InChI=1S/C13H10N2O2S/c14-
    9-10-1-3-11(4-2-10)12-5-7
    -13(8-6-12)18(15,16)17/h1
    -8H,(H2,15,16,17);
    LPESBVCEXRGQGA-UHFFFAOYSA-N    		 c1cc(ccc1C#N)c2ccc(cc2)S(=O)(=O)N; N[S](
    =O)(=O)c1ccc(cc1)c2ccc(cc2)C#N    		 4-(4-cyanophenyl)benzenesulfonamide
    10451 8HF 1 C28 H32 Cl N3 O4 InChI=1S/C28H32ClN3O4/c1-
    5-14-36-27(34)32-13-12-31
    (17-18(32)2)26(33)20-8-11
    -22-23(29)16-24(30-25(22)
    15-20)19-6-9-21(10-7-19)2
    8(3,4)35/h6-11,15-16,18,3
    5H,5,12-14,17H2,1-4H3/t18
    -/m1/s1;
    BURBRCSDCXUEJO-GOSISDBHSA-N    		 CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c2ccc3c(c2)
    nc(cc3Cl)c4ccc(cc4)C(C)(C)O; CCCOC(=O)N1
    CCN(C[C@H]1C)C(=O)c2ccc3c(Cl)cc(nc3c2)c4
    ccc(cc4)C(C)(C)O; CCCOC(=O)N1CCN(CC1C)C(
    =O)c2ccc3c(c2)nc(cc3Cl)c4ccc(cc4)C(C)(C)
    O; CCCOC(=O)N1CCN(C[CH]1C)C(=O)c2ccc3c(C
    l)cc(nc3c2)c4ccc(cc4)C(C)(C)O    		 propyl (2~{R})-4-[4-chloranyl-2-[4-(2-oxidanylpropan-2-yl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate
    10452 8HG
    CHEMBL1230628
    DB02502
    ZINC000016051666    		 6 C10 H13 N5 O5 InChI=1S/C10H13N5O5/c11-9
    -13-7-6(8(18)14-9)12-10(1
    9)15(7)5-1-3(17)4(2-16)20
    -5/h3-5,16-17H,1-2H2,(H,1
    2,19)(H3,11,13,14,18)/t3-
    ,4+,5+/m0/s1;
    HCAJQHYUCKICQH-VPENINKCSA-N    		 C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO)O
    ; NC1=NC2=C(NC(=O)N2[CH]3C[CH](O)[CH](CO
    )O3)C(=O)N1; NC1=NC2=C(NC(=O)N2[C@H]3C[C
    @H](O)[C@@H](CO)O3)C(=O)N1; O=C1C=2NC(=O
    )N(C=2N=C(N)N1)C3OC(C(O)C3)CO; C1[C@@H](
    [C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)
    CO)O    		 2'-DEOXY-8-OXOGUANOSINE
    10453 8HH
    CHEMBL4071527    		 8 C13 H13 N5 InChI=1S/C13H13N5/c1-2-15
    -13-8-11(10-4-3-6-14-9-10
    )17-12-5-7-16-18(12)13/h3
    -9,15H,2H2,1H3;
    BFTHMXHAOYUDNL-UHFFFAOYSA-N    		 CCNc1cc(nc2ccnn12)c3cccnc3; CCNc1cc(nc2n
    1ncc2)c3cccnc3    		 ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine
    10454 8HI
    CHEMBL1206225
    ZINC000024974102    		 8 C33 H36 F N3 O7 S InChI=1S/C33H36FN3O7S/c1-
    20(2)37-28(17-14-25(38)18
    -26(39)19-29(40)41)30(22-
    8-10-23(34)11-9-22)31(21-
    6-4-3-5-7-21)32(37)33(42)
    36-24-12-15-27(16-13-24)4
    5(35,43)44/h3-13,15-16,20
    ,25-26,38-39H,14,17-19H2,
    1-2H3,(H,36,42)(H,40,41)(
    H2,35,43,44)/t25-,26-/m1/
    s1;
    ZBCQTJGKEZGMGJ-CLJLJLNGSA-N    		 CC(C)n1c(c(c(c1C(=O)Nc2ccc(cc2)S(=O)(=O)
    N)c3ccccc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC
    (=O)O)O)O; CC(C)n1c(CC[CH](O)C[CH](O)CC(
    O)=O)c(c2ccc(F)cc2)c(c3ccccc3)c1C(=O)Nc4
    ccc(cc4)[S](N)(=O)=O; CC(C)n1c(CC[C@@H](
    O)C[C@@H](O)CC(O)=O)c(c2ccc(F)cc2)c(c3cc
    ccc3)c1C(=O)Nc4ccc(cc4)[S](N)(=O)=O; O=S
    (=O)(N)c1ccc(cc1)NC(=O)c2c(c(c(n2C(C)C)C
    CC(O)CC(O)CC(=O)O)c3ccc(F)cc3)c4ccccc4;
    CC(C)n1c(c(c(c1C(=O)Nc2ccc(cc2)S(=O)(=O)
    N)c3ccccc3)c4ccc(cc4)F)CCC(CC(CC(=O)O)O)
    O    		 (3R,5R)-7-{3-(4-fluorophenyl)-1-(1-methylethyl)-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1H-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid
    10455 8HJ
    CHEMBL2430711
    ZINC000003957997    		 1 C9 H9 N O2 InChI=1S/C9H9NO2/c11-7-3-
    1-6-2-4-9(12)10-8(6)5-7/h
    1,3,5,11H,2,4H2,(H,10,12);
    LKLSFDWYIBUGNT-UHFFFAOYSA-N    		 Oc1ccc2CCC(=O)Nc2c1; c1cc2c(cc1O)NC(=O)C
    C2    		 7-oxidanyl-3,4-dihydro-1~{H}-quinolin-2-one
    10456 8HK
    CHEMBL3763387    		 2 C11 H10 N2 O2 S InChI=1S/C11H10N2O2S/c12-
    16(14,15)11-5-3-9(4-6-11)
    10-2-1-7-13-8-10/h1-8H,(H
    2,12,14,15);
    FGJNMMSBSNRDFJ-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(cc1)c2cccnc2; c1cc(cnc
    1)c2ccc(cc2)S(=O)(=O)N    		 4-pyridin-3-ylbenzenesulfonamide
    10457 8HL 2 C14 H20 O4 InChI=1S/C14H20O4/c1-2-3-
    4-5-6-7-10-8-11(15)9-12(1
    6)13(10)14(17)18/h8-9,15-
    16H,2-7H2,1H3,(H,17,18);
    XUWGCDWPOGIQII-UHFFFAOYSA-N    		 CCCCCCCc1cc(cc(c1C(=O)O)O)O; CCCCCCCc1cc
    (O)cc(O)c1C(O)=O    		 2-heptyl-4,6-bis(oxidanyl)benzoic acid
    10458 8HM
    CHEMBL4102858    		 2 C24 H27 N5 O3 S InChI=1S/C24H27N5O3S/c1-3
    1-18-4-2-16(3-5-18)13-28-
    23-21(22-25-15-26-29(22)2
    4(28)30)19-6-9-27(14-20(1
    9)33-23)12-17-7-10-32-11-
    8-17/h2-5,15,17H,6-14H2,1
    H3;
    BQOIGGMSKKKZRK-UHFFFAOYSA-N    		 COc1ccc(cc1)CN2c3c(c4c(s3)CN(CC4)CC5CCOC
    C5)-c6ncnn6C2=O; COc1ccc(CN2C(=O)n3ncnc3
    c4c5CCN(CC6CCOCC6)Cc5sc24)cc1; N2(c4c(c1
    ncnn1C2=O)c3CCN(Cc3s4)CC5CCOCC5)Cc6ccc(c
    c6)OC    		 6-[(4-methoxyphenyl)methyl]-9-[(oxan-4-yl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one
    10459 8HN
    CHEMBL4061857    		 4 C22 H21 N7 O3 InChI=1S/C22H21N7O3/c23-1
    1-14-12-24-29-19(25-15-4-
    5-17-13(8-15)3-6-20(30)26
    -17)10-18(27-22(14)29)28-
    7-1-2-16(28)9-21(31)32/h4
    -5,8,10,12,16,25H,1-3,6-7
    ,9H2,(H,26,30)(H,31,32)/t
    16-/m0/s1;
    HZSGYGFOUDGOKL-INIZCTEOSA-N    		 OC(=O)C[C@@H]1CCCN1c2cc(Nc3ccc4NC(=O)CCc
    4c3)n5ncc(C#N)c5n2; c1cc2c(cc1Nc3cc(nc4n
    3ncc4C#N)N5CCC[C@H]5CC(=O)O)CCC(=O)N2; O
    C(=O)C[CH]1CCCN1c2cc(Nc3ccc4NC(=O)CCc4c3
    )n5ncc(C#N)c5n2; c1cc2c(cc1Nc3cc(nc4n3nc
    c4C#N)N5CCCC5CC(=O)O)CCC(=O)N2    		 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid
    10460 8HO
    CHEMBL2338329
    DB04847
    ZINC000071257465    		 5 C19 H16 N2 O5 InChI=1S/C19H16N2O5/c1-11
    -15-9-13(26-12-5-3-2-4-6-
    12)7-8-14(15)18(24)17(21-
    11)19(25)20-10-16(22)23/h
    2-9,24H,10H2,1H3,(H,20,25
    )(H,22,23);
    YOZBGTLTNGAVFU-UHFFFAOYSA-N    		 Cc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3cc
    ccc3; Cc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3c
    cccc3)cc12    		 2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid
    10461 8HP
    CHEMBL1463540
    ZINC000002890884    		 1 C18 H15 Cl N4 O S InChI=1S/C18H15ClN4OS/c19
    -12-7-5-11(6-8-12)9-22-17
    -15(13-3-1-2-4-14(13)25-1
    7)16-20-10-21-23(16)18(22
    )24/h5-8,10H,1-4,9H2;
    SRUIZVZXCPBTGE-UHFFFAOYSA-N    		 c5c(CN3C(n4c(c2c1CCCCc1sc23)ncn4)=O)ccc(
    c5)Cl; c1cc(ccc1CN2c3c(c4c(s3)CCCC4)-c5n
    cnn5C2=O)Cl; Clc1ccc(CN2C(=O)n3ncnc3c4c5
    CCCCc5sc24)cc1    		 6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one
    10462 8HQ
    CHEMBL1435274
    ZINC000001710266    		 2 C10 H7 N O3 InChI=1S/C10H7NO3/c12-8-3
    -1-2-6-7(10(13)14)4-5-11-
    9(6)8/h1-5,12H,(H,13,14);
    KPTUKANGPPVLMD-UHFFFAOYSA-N    		 OC(=O)c1ccnc2c(O)cccc12; O=C(O)c1c2cccc(
    O)c2ncc1; c1cc2c(ccnc2c(c1)O)C(=O)O    		 8-hydroxyquinoline-4-carboxylic acid
    10463 8HR
    CHEMBL4551647    		 1 C24 H24 Cl N3 O3 InChI=1S/C24H24ClN3O3/c1-
    2-14-31-24(30)28-12-10-27
    (11-13-28)23(29)18-8-9-19
    -20(25)16-21(26-22(19)15-
    18)17-6-4-3-5-7-17/h3-9,1
    5-16H,2,10-14H2,1H3;
    KSURKAFQFJOCBC-UHFFFAOYSA-N    		 CCCOC(=O)N1CCN(CC1)C(=O)c2ccc3c(Cl)cc(nc
    3c2)c4ccccc4; CCCOC(=O)N1CCN(CC1)C(=O)c2
    ccc3c(c2)nc(cc3Cl)c4ccccc4    		 propyl 4-(4-chloranyl-2-phenyl-quinolin-7-yl)carbonylpiperazine-1-carboxylate
    10464 8HS
    CHEMBL324609
    ZINC000013580535    		 2 C7 H14 N O8 P InChI=1S/C7H14NO8P/c1-7(2
    )15-4(3-14-17(11,12)13)5(
    16-7)6(9)8-10/h4-5,10H,3H
    2,1-2H3,(H,8,9)(H2,11,12,
    13)/t4-,5-/m1/s1;
    DVFAQEVWJBLFDS-RFZPGFLSSA-N    		 CC1(OC(C(=O)NO)C(COP(O)(=O)O)O1)C; CC1(O
    C(C(O1)C(=O)NO)COP(=O)(O)O)C; CC1(C)O[CH
    ](CO[P](O)(O)=O)[CH](O1)C(=O)NO; CC1(O[C
    @@H]([C@@H](O1)C(=O)NO)COP(=O)(O)O)C; CC
    1(C)O[C@H](CO[P](O)(O)=O)[C@@H](O1)C(=O)
    NO    		 [(4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate
    10465 8HT
    CHEMBL4216140    		 1 C26 H26 F N5 O InChI=1S/C26H26FN5O/c27-1
    7-24(28)29-16-6-11-23(25-
    30-21-9-4-5-10-22(21)31-2
    5)32-26(33)20-14-12-19(13
    -15-20)18-7-2-1-3-8-18/h1
    -5,7-10,12-15,23H,6,11,16
    -17H2,(H2,28,29)(H,30,31)
    (H,32,33)/t23-/m0/s1;
    YLSHDLCSANAKPH-QHCPKHFHSA-N    		 c1ccc(cc1)c2ccc(cc2)C(=O)NC(CCCNC(=N)CF)
    c3[nH]c4ccccc4n3; [H]/N=C(\CF)/NCCC[C@@H
    ](c1[nH]c2ccccc2n1)NC(=O)c3ccc(cc3)c4ccc
    cc4; FCC(=N)NCCC[CH](NC(=O)c1ccc(cc1)c2c
    cccc2)c3[nH]c4ccccc4n3; FCC(=N)NCCC[C@H]
    (NC(=O)c1ccc(cc1)c2ccccc2)c3[nH]c4ccccc4
    n3    		 ~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-4-(2-fluoranylethanimidoylamino)butyl]-4-phenyl-benzamide
    10466 8HV 2 C24 H26 F N3 O3 InChI=1S/C24H26FN3O3/c1-2
    4(2,31)22(29)27-11-9-17(1
    0-12-27)16-4-7-21(8-5-16)
    26-23(30)28-14-18-3-6-20(
    25)13-19(18)15-28/h3-8,13
    -15,17,31H,9-12H2,1-2H3,(
    H,26,30);
    XZCZXZPDNUPSAB-UHFFFAOYSA-N    		 CC(C)(C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3c
    c4ccc(cc4c3)F)O; CC(C)(O)C(=O)N1CCC(CC1)
    c2ccc(NC(=O)n3cc4ccc(F)cc4c3)cc2; N(C(n2
    cc1c(ccc(F)c1)c2)=O)c4ccc(C3CCN(CC3)C(=O
    )C(C)(O)C)cc4    		 5-fluoro-N-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-isoindole-2-carboxamide
    10467 8HW 2 C27 H25 F2 N O6 InChI=1S/C27H25F2NO6/c1-1
    6-18(3-2-4-21(16)17-5-6-2
    4-26(10-17)35-8-7-34-24)1
    5-36-25-12-22(28)19(9-23(
    25)29)13-30-14-20(31)11-2
    7(32)33/h2-6,9-10,12,30H,
    7-8,11,13-15H2,1H3,(H,32,
    33);
    PRHIMIDCCNVQEI-UHFFFAOYSA-N    		 Cc1c(cccc1c2ccc3c(c2)OCCO3)COc4cc(c(cc4F
    )CNCC(=O)CC(=O)O)F; Cc1c(COc2cc(F)c(CNCC
    (=O)CC(O)=O)cc2F)cccc1c3ccc4OCCOc4c3    		 4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid
    10468 8HX
    CHEMBL792
    DB08844
    ZINC000002041003    		 2 C5 H4 N4 O3 InChI=1S/C5H4N4O3/c10-3-1
    -2(7-4(11)6-1)8-5(12)9-3/
    h(H4,6,7,8,9,10,11,12);
    LEHOTFFKMJEONL-UHFFFAOYSA-N    		 O=C2c1nc(O)nc1NC(=O)N2; c12c([nH]c(n1)O)
    NC(=O)NC2=O; Oc1[nH]c2NC(=O)NC(=O)c2n1    		 8-hydroxy-3,9-dihydro-1H-purine-2,6-dione;
    8-hydroxyxanthine
    10469 8HY 2 C25 H23 N3 O2 InChI=1S/C25H23N3O2/c29-2
    4(26-16-6-9-19-7-2-1-3-8-
    19)20-12-14-23(15-13-20)2
    7-25(30)28-17-21-10-4-5-1
    1-22(21)18-28/h1-5,7-8,10
    -15,17-18H,6,9,16H2,(H,26
    ,29)(H,27,30);
    YXCPDCLETYPTMF-UHFFFAOYSA-N    		 O=C(Nc1ccc(cc1)C(=O)NCCCc2ccccc2)n3cc4cc
    ccc4c3; c1ccc(cc1)CCCNC(=O)c2ccc(cc2)NC(
    =O)n3cc4ccccc4c3; N(C(c1ccc(cc1)NC(n3cc2
    c(cccc2)c3)=O)=O)CCCc4ccccc4    		 N-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2H-isoindole-2-carboxamide
    10470 8HZ
    ZINC000004921843    		 1 C21 H19 N3 O InChI=1S/C21H19N3O/c1-14-
    5-9-17(10-6-14)22-21-19(1
    6-7-11-18(25)12-8-16)23-2
    0-15(2)4-3-13-24(20)21/h3
    -13,22,25H,1-2H3;
    KPRSGDIGCGTRAS-UHFFFAOYSA-N    		 Cc1ccc(cc1)Nc2c(nc3n2cccc3C)c4ccc(cc4)O;
    Cc1ccc(Nc2n3cccc(C)c3nc2c4ccc(O)cc4)cc1    		 4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol
    10471 8I0 1 C34 H52 N6 O6 InChI=1S/C34H52N6O6/c1-32
    (2,3)26(38-31(46)39-33(4,
    5)6)30(45)40-18-21-23(34(
    21,7)8)24(40)28(43)37-22(
    16-20-14-15-35-27(20)42)2
    5(41)29(44)36-17-19-12-10
    -9-11-13-19/h9-13,20-26,4
    1H,14-18H2,1-8H3,(H,35,42
    )(H,36,44)(H,37,43)(H2,38
    ,39,46)/t20-,21-,22-,23-,
    24-,25+,26+/m0/s1;
    WFDSDFTYLISRSE-ADSPCUKESA-N    		 CC(C)(C)NC(=O)N[CH](C(=O)N1C[CH]2[CH]([C
    H]1C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(=O)
    NCc4ccccc4)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(C(=O)NCc4ccccc4)O)C; 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@@H]
    (O)C(=O)NCc4ccccc4)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@H](C(=O)NCc4ccccc4)O)C; CC1(
    C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NCc3cc
    ccc3)N(CC21)C(=O)C(NC(=O)NC(C)(C)C)C(C)(
    C)C    		 (1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
    10472 8I1
    CHEMBL1095294
    ZINC000044675807    		 1 C28 H27 N5 O3 InChI=1S/C28H27N5O3/c1-34
    -26-11-22-21-10-24(33-28(
    30)23(21)15-32-25(22)12-2
    7(26)35-2)18-9-20(14-31-1
    3-18)36-16-19(29)8-17-6-4
    -3-5-7-17/h3-7,9-15,19H,8
    ,16,29H2,1-2H3,(H2,30,33)
    /t19-/m1/s1;
    XNXUJUXYVTYIGP-LJQANCHMSA-N    		 COc1cc2ncc3c(N)nc(cc3c2cc1OC)c4cncc(OC[C
    H](N)Cc5ccccc5)c4; n2c1cc(OC)c(OC)cc1c5c
    (c2)c(nc(c4cc(OCC(N)Cc3ccccc3)cnc4)c5)N;
    COc1cc2c3cc(nc(c3cnc2cc1OC)N)c4cc(cnc4)
    OCC(Cc5ccccc5)N; COc1cc2ncc3c(N)nc(cc3c2
    cc1OC)c4cncc(OC[C@H](N)Cc5ccccc5)c4; COc
    1cc2c3cc(nc(c3cnc2cc1OC)N)c4cc(cnc4)OC[C
    @@H](Cc5ccccc5)N    		 2-(5-{[(2R)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine
    10473 8I2
    CHEMBL2104404
    DB11403    		 4 C60 H90 N6 O14 InChI=1S/C60H90N6O14/c1-3
    7(2)31-47-57(71)77-41(9)5
    3(67)61(11)50(34-40(7)8)6
    0(74)80-52(36-44-17-21-46
    (22-18-44)66-25-29-76-30-
    26-66)56(70)64(14)48(32-3
    8(3)4)58(72)78-42(10)54(6
    8)62(12)49(33-39(5)6)59(7
    3)79-51(55(69)63(47)13)35
    -43-15-19-45(20-16-43)65-
    23-27-75-28-24-65/h15-22,
    37-42,47-52H,23-36H2,1-14
    H3/t41-,42-,47+,48+,49+,5
    0+,51-,52-/m1/s1;
    ZMQMTKVVAMWKNY-YSXLEBCMSA-N    		 C[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N
    ([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[
    C@@H](C(=O)N([C@H](C(=O)O1)CC(C)C)C)Cc2c
    cc(cc2)N3CCOCC3)CC(C)C)C)C)CC(C)C)C)Cc4c
    cc(cc4)N5CCOCC5)CC(C)C)C; CC1C(=O)N(C(C(
    =O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(
    C(=O)N(C(C(=O)O1)CC(C)C)C)Cc2ccc(cc2)N3C
    COCC3)CC(C)C)C)C)CC(C)C)C)Cc4ccc(cc4)N5C
    COCC5)CC(C)C)C; CC(C)C[CH]1N(C)C(=O)[CH]
    (C)OC(=O)[CH](CC(C)C)N(C)C(=O)[CH](Cc2cc
    c(cc2)N3CCOCC3)OC(=O)[CH](CC(C)C)N(C)C(=
    O)[CH](C)OC(=O)[CH](CC(C)C)N(C)C(=O)[CH]
    (Cc4ccc(cc4)N5CCOCC5)OC1=O; CC(C)C[C@@H]
    1N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(
    C)C(=O)[C@@H](Cc2ccc(cc2)N3CCOCC3)OC(=O)
    [C@H](CC(C)C)N(C)C(=O)[C@@H](C)OC(=O)[C@
    H](CC(C)C)N(C)C(=O)[C@@H](Cc4ccc(cc4)N5C
    COCC5)OC1=O    		 (3~{S},6~{R},9~{S},12~{R},15~{S},18~{R},21~{S},24~{R})-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-morpholin-4-ylphenyl)methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
    10474 8I4 15 C7 H12 O7 InChI=1S/C7H12O7/c8-2-1(7
    (13)14)3(9)5(11)6(12)4(2)
    10/h1-6,8-12H,(H,13,14)/t
    1-,2-,3?,4+,5+,6-/m1/s1;
    FMRFYBAGJDOHAJ-ZREPEFIBSA-N    		 [C@H]1([C@@H](C([C@H]([C@@H](C1C(=O)O)O)
    O)O)O)O; O[C@@H]1[C@@H](O)[C@H](O)[C@H](
    [C@@H](O)[C@@H]1O)C(O)=O; C1(C(C(C(C(C1O
    )O)O)O)O)C(=O)O; O[CH]1[CH](O)[CH](O)[CH
    ]([CH](O)[CH]1O)C(O)=O    		 (2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid;
    (2R)-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
    10475 8I5 3 C24 H48 N6 O13 InChI=1S/C24H48N6O13/c1-3
    0-7-2-6(27)13(32)21(19(7)
    41-22-11(28)16(35)14(33)8
    (3-25)38-22)43-24-18(37)2
    0(10(5-31)40-24)42-23-12(
    29)17(36)15(34)9(4-26)39-
    23/h6-24,30-37H,2-5,25-29
    H2,1H3/t6-,7+,8-,9+,10+,1
    1+,12+,13+,14-,15-,16-,17
    -,18-,19-,20+,21-,22-,23-
    ,24+/m1/s1;
    FCJYTWXMZQXWFB-HGRVKHENSA-N    		 CNC1CC(C(C(C1OC2C(C(C(C(O2)CN)O)O)N)OC3C
    (C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N;
    CN[CH]1C[CH](N)[CH](O)[CH](O[CH]2O[CH](
    CO)[CH](O[CH]3O[CH](CN)[CH](O)[CH](O)[CH
    ]3N)[CH]2O)[CH]1O[CH]4O[CH](CN)[CH](O)[C
    H](O)[CH]4N; CN[C@H]1C[C@H]([C@@H]([C@H]
    ([C@@H]1O[C@@H]2[C@H]([C@H]([C@@H]([C@H]
    (O2)CN)O)O)N)O[C@H]3[C@@H]([C@H]([C@@H](
    O3)CO)O[C@@H]4[C@H]([C@H]([C@@H]([C@@H](
    O4)CN)O)O)N)O)O)N; CN[C@H]1C[C@@H](N)[C@
    H](O)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O[C
    @H]3O[C@@H](CN)[C@@H](O)[C@H](O)[C@@H]3N
    )[C@H]2O)[C@@H]1O[C@H]4O[C@H](CN)[C@@H](
    O)[C@H](O)[C@@H]4N    		 3N methyl nemycin B
    10476 8I6 2 C16 H24 O4 InChI=1S/C16H24O4/c1-2-3-
    4-5-6-7-8-9-12-10-13(17)1
    1-14(18)15(12)16(19)20/h1
    0-11,17-18H,2-9H2,1H3,(H,
    19,20);
    PTAHKOJJUSGQFK-UHFFFAOYSA-N    		 CCCCCCCCCc1cc(O)cc(O)c1C(O)=O; CCCCCCCCC
    c1cc(cc(c1C(=O)O)O)O    		 2-nonyl-4,6-bis(oxidanyl)benzoic acid
    10477 8I7 1 C26 H44 N4 O5 InChI=1S/C26H44N4O5/c1-14
    (2)10-18(32)29-21(25(3,4)
    5)24(35)30-12-17-19(26(17
    ,6)7)20(30)23(34)28-16(13
    -31)11-15-8-9-27-22(15)33
    /h14-17,19-21,31H,8-13H2,
    1-7H3,(H,27,33)(H,28,34)(
    H,29,32)/t15-,16-,17-,19-
    ,20-,21+/m0/s1;
    YJDABKUOTKRKDF-RZCQQDKOSA-N    		 CC(C)CC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([
    C@H]1C(=O)N[C@H](CO)C[C@@H]3CCNC3=O)C2(C
    )C)C(C)(C)C; CC(C)CC(=O)N[C@H](C(=O)N1C[
    C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]3C
    CNC3=O)CO)C2(C)C)C(C)(C)C; CC(C)CC(=O)NC
    (C(=O)N1CC2C(C1C(=O)NC(CC3CCNC3=O)CO)C2(
    C)C)C(C)(C)C; CC(C)CC(=O)N[CH](C(=O)N1C[
    CH]2[CH]([CH]1C(=O)N[CH](CO)C[CH]3CCNC3=
    O)C2(C)C)C(C)(C)C; CC1(C)C2C(C(=O)NC(CC3
    CCNC3=O)CO)N(CC21)C(=O)C(NC(=O)CC(C)C)C(
    C)(C)C    		 (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
    10478 8I8 4 C46 H82 N13 O30 P3 S InChI=1S/C46H82N13O30P3S/
    c1-45(2,13-80-92(77,78)89
    -91(75,76)79-12-21-35(88-
    90(72,73)74)31(67)41(81-2
    1)59-15-57-25-38(52)55-14
    -56-39(25)59)37(69)40(70)
    54-5-4-22(61)53-6-7-93-46
    (3,71)58-17-8-16(49)26(62
    )36(33(17)85-42-23(50)29(
    65)27(63)18(9-47)82-42)87
    -44-32(68)34(20(11-60)84-
    44)86-43-24(51)30(66)28(6
    4)19(10-48)83-43/h9-10,14
    -18,20-24,26-37,41-44,47,
    53,58,60-69,71H,4-8,11-13
    ,48-51H2,1-3H3,(H,54,70)(
    H,75,76)(H,77,78)(H2,52,5
    5,56)(H2,72,73,74)/b19-10
    +,47-9+/t16-,17+,18-,20-,
    21-,22+,23-,24-,26+,27-,2
    8-,29-,30-,31-,32-,33-,34
    -,35-,36-,37+,41-,42-,43-
    ,44+,46+/m1/s1;
    KNUGXPWVQDBKDV-VYRIPBRXSA-N    		 [H]/N=C/C1[C@H]([C@@H]([C@H]([C@H](O1)O[
    C@@H]2[C@H](C[C@H]([C@@H]([C@H]2OC3C([C@
    @H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@
    @H](/C(=C\N)/O4)O)O)N)O)O)N)N[C@@](C)(O)
    SCCN[C@H](CCNC(=O)[C@@H](C(C)(C)COP(=O)(
    O)OP(=O)(O)OC[C@@H]5[C@H](C(C(O5)n6cnc7c
    6ncnc7N)O)OP(=O)(O)O)O)O)N)O)O; CC(C)(CO
    [P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O
    )[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH]
    (O)C(=O)NCC[CH](O)NCCS[C](C)(O)N[CH]4C[C
    H](N)[CH](O)[CH](O[CH]5O[CH](CO)[CH](O[C
    H]6OC(=CN)[CH](O)[CH](O)[CH]6N)[CH]5O)[C
    H]4O[CH]7O[CH](C=N)[CH](O)[CH](O)[CH]7N;
    CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n
    2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(N
    CCSC(C)(NC4CC(C(C(C4OC5C(C(C(C(O5)C=N)O)
    O)N)OC6C(C(C(O6)CO)OC7C(C(C(C(=CN)O7)O)O
    )N)O)O)N)O)O)O; CC(C)(CO[P](O)(=O)O[P](O
    )(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](
    O)(O)=O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O)N
    CC[C@H](O)NCCS[C@](C)(O)N[C@H]4C[C@@H](N
    )[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H]
    (O[C@H]6OC(=C/N)/[C@@H](O)[C@H](O)[C@H]6
    N)[C@H]5O)[C@@H]4O[C@H]7O[C@H](C=N)[C@@H
    ](O)[C@H](O)[C@H]7N    		 [[(2~{R},3~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[(3~{S})-3-[2-[(1~{S})-1-[[(1~{S},2~{R},3~{R},4~{S},5~{R})-5-azanyl-3-[(4~{S},5~{R})-4-[(2~{S},3~{R},4~{R},5~{S},6~{E})-3-azanyl-6-(azanylmethylidene)-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]oxy-2-[(2~{S},3~{R},4~{R},5~{S})-3-azanyl-6-(iminomethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-cyclohexyl]amino]-1-oxidanyl-ethyl]sulfanylethylamino]-3-oxidanyl-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
    10479 8I9
    ZINC000199630723    		 2 C34 H60 N7 O17 P3 S InChI=1S/C34H60N7O17P3S/c
    1-4-5-6-7-8-9-10-11-12-13
    -14-25(43)62-18-17-36-24(
    42)15-16-37-32(46)29(45)3
    4(2,3)20-55-61(52,53)58-6
    0(50,51)54-19-23-28(57-59
    (47,48)49)27(44)33(56-23)
    41-22-40-26-30(35)38-21-3
    9-31(26)41/h21-23,27-29,3
    3,44-45H,4-20H2,1-3H3,(H,
    36,42)(H,37,46)(H,50,51)(
    H,52,53)(H2,35,38,39)(H2,
    47,48,49)/t23-,27-,28-,29
    +,33-/m1/s1;
    TZKUYUHMJHEXOQ-QYIUPXBKSA-N    		 CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)
    (C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc
    3c2ncnc3N)O)OP(=O)(O)O)O; CCCCCCCCCCCCC(
    =O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](
    O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH
    ]1O[P](O)(O)=O)n2cnc3c(N)ncnc23; CCCCCCC
    CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C
    )COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]
    ([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
    ; CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H
    ](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C@H
    ]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2c
    nc3c(N)ncnc23    		 ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] tridecanethioate
    10480 8IA
    CHEMBL3186662
    ZINC000001640007    		 2 C8 H17 N InChI=1S/C8H17N/c1-9(2)8-
    6-4-3-5-7-8/h8H,3-7H2,1-2
    H3;
    SVYKKECYCPFKGB-UHFFFAOYSA-N    		 CN(C)C1CCCCC1 ~{N},~{N}-dimethylcyclohexanamine
    10481 8IB
    ZINC000001701209    		 3 C8 H6 O5 InChI=1S/C8H6O5/c9-6-3-4(
    7(10)11)1-2-5(6)8(12)13/h
    1-3,9H,(H,10,11)(H,12,13);
    CDOWNLMZVKJRSC-UHFFFAOYSA-N    		 OC(=O)c1ccc(C(O)=O)c(O)c1; c1cc(c(cc1C(=
    O)O)O)C(=O)O    		 2-Hydroxyterephthalic acid;
    2-oxidanylterephthalic acid;
    2-hydroxybenzene-1,4-dicarboxylic acid;
    2-hydroxyterephthalate
    10482 8ID
    ZINC000098208602    		 2 C21 H27 I N7 O14 P2 InChI=1S/C21H26IN7O14P2/c
    22-21-27-11-16(23)25-7-26
    -18(11)29(21)20-15(33)13(
    31)10(42-20)6-40-45(37,38
    )43-44(35,36)39-5-9-12(30
    )14(32)19(41-9)28-3-1-2-8
    (4-28)17(24)34/h1-4,7,9-1
    0,12-15,19-20,30-33H,5-6H
    2,(H5-,23,24,25,26,34,35,
    36,37,38)/p+1/t9-,10-,12-
    ,13-,14-,15-,19-,20-/m1/s
    1;
    UVGUXLRSEVQZMG-NAJQWHGHSA-O    		 c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](
    O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[
    C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4I
    )O)O)O)O)C(=O)N; NC(=O)c1ccc[n+](c1)[CH]
    2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[C
    H]([CH](O)[CH]3O)n4c(I)nc5c(N)ncnc45)[CH
    ](O)[CH]2O; c1cc(c[n+](c1)C2C(C(C(O2)COP
    (=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4c5c(c(ncn
    5)N)nc4I)O)O)O)O)C(=O)N; NC(=O)c1ccc[n+]
    (c1)[C@@H]2O[C@H](CO[P@](O)(=O)O[P@](O)(
    =O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4c(I
    )nc5c(N)ncnc45)[C@@H](O)[C@H]2O    		 NICOTINAMIDE-8-IODO-ADENINE-DINUCLEOTIDE;
    3-(AMINOCARBONYL)-1-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(6-AMINO-8-IODO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]PYRIDINIUM
    10483 8IE 4 C18 H17 N5 S InChI=1S/C18H17N5S/c1-11-
    9-22(10-13-5-3-4-6-14(11)
    13)18-19-15-7-8-24-16(15)
    17-21-20-12(2)23(17)18/h3
    -8,11H,9-10H2,1-2H3/t11-/
    m0/s1;
    GGQQENQZNLSCPW-NSHDSACASA-N    		 C[CH]1CN(Cc2ccccc12)c3nc4ccsc4c5nnc(C)n3
    5; CC1CN(Cc2ccccc21)c1nc2ccsc2c2nnc(C)n2
    1; Cc1nnc2n1c(nc3c2scc3)N4Cc5ccccc5C(C4)
    C; C[C@H]1CN(Cc2ccccc12)c3nc4ccsc4c5nnc(
    C)n35; Cc1nnc2n1c(nc3c2scc3)N4Cc5ccccc5[
    C@H](C4)C    		 (4R)-3-methyl-5-[(4R)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine
    10484 8IF 3 C20 H28 O5 InChI=1S/C20H28O5/c1-6-7-
    8-9-10-11-16(21)13(2)12-1
    4(3)18(22)17-19(24-5)15(4
    )25-20(17)23/h10-11,13-14
    H,4,6-9,12H2,1-3,5H3/t13-
    ,14+/m0/s1;
    YWDTUXUXYXSRKL-UONOGXRCSA-N    		 CCCCC\C=C/C(=O)[C@@H](C)C[C@@H](C)C(=O)C
    1=C(OC)C(=C)OC1=O; CCCCCC=CC(=O)C(C)CC(C
    )C(=O)C1=C(C(=C)OC1=O)OC; CCCCC/C=C\C(=O
    )[C@@H](C)C[C@@H](C)C(=O)C1=C(C(=C)OC1=O
    )OC; CCCCCC=CC(=O)[CH](C)C[CH](C)C(=O)C1
    =C(OC)C(=C)OC1=O    		 (Z,2R,4S)-1-(4-methoxy-5-methylidene-2-oxidanylidene-furan-3-yl)-2,4-dimethyl-dodec-6-ene-1,5-dione
    10485 8IG
    DB02985
    ZINC000004878369    		 3 C5 H4 I N5 O InChI=1S/C5H4IN5O/c6-4-8-
    1-2(9-4)10-5(7)11-3(1)12/
    h(H4,7,8,9,10,11,12);
    SXGFECRAKVVEJT-UHFFFAOYSA-N    		 c12c([nH]c(n1)I)N=C(NC2=O)N; Ic2nc1c(N=C
    (NC1=O)N)n2; NC1=Nc2[nH]c(I)nc2C(=O)N1    		 8-IODO-GUANINE
    10486 8IH 2 C17 H13 Cl2 F3 O2 InChI=1S/C17H13Cl2F3O2/c1
    -2-13(16(23)24)9-3-4-14(1
    5(7-9)17(20,21)22)10-5-11
    (18)8-12(19)6-10/h3-8,13H
    ,2H2,1H3,(H,23,24)/t13-/m
    1/s1;
    MVMIGKWIRSPCJY-CYBMUJFWSA-N    		 CC[C@@H](C(O)=O)c1ccc(c2cc(Cl)cc(Cl)c2)c
    (c1)C(F)(F)F; CCC(c1ccc(c(c1)C(F)(F)F)c2
    cc(cc(c2)Cl)Cl)C(=O)O; CC[CH](C(O)=O)c1c
    cc(c2cc(Cl)cc(Cl)c2)c(c1)C(F)(F)F; CC[C@
    H](c1ccc(c(c1)C(F)(F)F)c2cc(cc(c2)Cl)Cl)
    C(=O)O    		 (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid
    10487 8II
    CHEMBL300389
    ZINC000001541868    		 1 C18 H18 Cl N5 O InChI=1S/C18H18ClN5O/c19-
    14-3-1-4-15(12-14)23-18-2
    2-9-6-16(24-18)13-5-8-21-
    17(11-13)20-7-2-10-25/h1,
    3-6,8-9,11-12,25H,2,7,10H
    2,(H,20,21)(H,22,23,24);
    IYNDTACKOAXKBJ-UHFFFAOYSA-N    		 OCCCNc1cc(ccn1)c2ccnc(Nc3cccc(Cl)c3)n2;
    c1cc(cc(c1)Cl)Nc2nccc(n2)c3ccnc(c3)NCCCO
    ; OCCCNc1nccc(c1)c1ccnc(Nc2cc(Cl)ccc2)n1    		 3-({4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl}amino)propan-1-ol
    10488 8IJ
    ZINC000150345059    		 19 C45 H87 O13 P InChI=1S/C45H87O13P/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-31-33-38(46)55
    -35-37(36-56-59(53,54)58-
    45-43(51)41(49)40(48)42(5
    0)44(45)52)57-39(47)34-32
    -30-28-26-24-22-20-18-16-
    14-12-10-8-6-4-2/h37,40-4
    5,48-52H,3-36H2,1-2H3,(H,
    53,54)/t37-,40-,41-,42+,4
    3-,44-,45-/m1/s1;
    FQZQXPXKJFOAGE-KQKURGKFSA-N    		 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)
    OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)
    OC(=O)CCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCC
    CCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[
    CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCC
    CCCCCCCCCC; CCCCCCCCCCCCCCCCCC(=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(=O)CCCCCCCCCCC
    CCCCCC; OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OC
    C(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC
    CCCCCCCCCC; CCCCCCCCCCCCCCCCCC(=O)OCC(CO
    P(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCC
    CCCCCCCCCCCCCC    		 (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate
    10489 8IK
    ZINC000000391258    		 1 C12 H14 N2 O2 InChI=1S/C12H14N2O2/c1-7-
    2-3-9-8(5-10(13)12(15)16)
    6-14-11(9)4-7/h2-4,6,10,1
    4H,5,13H2,1H3,(H,15,16)/t
    10-/m0/s1;
    GDMRVYIFGPMUCG-JTQLQIEISA-N    		 Cc1ccc2c(C[CH](N)C(O)=O)c[nH]c2c1; Cc1cc
    c2c(c1)[nH]cc2CC(C(=O)O)N; Cc1ccc2c(c1)[
    nH]cc2C[C@@H](C(=O)O)N; Cc1ccc2c(C[C@H](
    N)C(O)=O)c[nH]c2c1    		 (2S)-2-azanyl-3-(6-methyl-1H-indol-3-yl)propanoic acid
    10490 8IL 1 C18 H15 F3 N2 O2 InChI=1S/C18H15F3N2O2/c19
    -18(20,21)12-5-6-16(14(9-
    12)17(24)25)22-8-7-11-10-
    23-15-4-2-1-3-13(11)15/h1
    -6,9-10,22-23H,7-8H2,(H,2
    4,25);
    RWKMHYNDBBVNAX-UHFFFAOYSA-N    		 OC(=O)c1cc(ccc1NCCc2c[nH]c3ccccc23)C(F)(
    F)F; c1ccc2c(c1)c(c[nH]2)CCNc3ccc(cc3C(=
    O)O)C(F)(F)F; FC(F)(F)c1ccc(NCCc2c[NH]c3
    ccccc32)c(c1)C(=O)O    		 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid
    10491 8IM 1 C52 H68 B F2 N13 O8 InChI=1S/C52H68BF2N13O8/c
    1-36-31-38(3)66-47(36)42(
    48-37(2)32-39(4)67(48)53(
    66,54)55)9-6-5-7-15-57-45
    (69)34-74-30-29-73-28-27-
    72-26-25-71-24-16-58-46(7
    0)35-76-41-13-11-40(12-14
    -41)64-20-17-63(18-21-64)
    19-22-65-50-43(33-59-65)5
    1-60-49(44-10-8-23-75-44)
    62-68(51)52(56)61-50/h8,1
    0-14,23,31-33H,5-7,9,15-2
    2,24-30,34-35H2,1-4H3,(H2
    ,56,61)(H,57,69)(H,58,70);
    QJNAIOWKPALGIV-UHFFFAOYSA-N    		 [B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCC
    CNC(=O)COCCOCCOCCOCCNC(=O)COc4ccc(cc4)N5
    CCN(CC5)CCn6c7c(cn6)c8nc(nn8c(n7)N)c9ccc
    o9)C)C)(F)F; Cc1cc(C)c2n1[B-](F)(F)[N+]3
    =C(C)C=C(C)C3=C2CCCCCNC(=O)COCCOCCOCCOCC
    NC(=O)COc4ccc(cc4)N5CCN(CC5)CCn6ncc7c6nc
    (N)n8nc(nc78)c9occc9    		 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide
    10492 8IN
    CHEMBL149502
    DB02504
    ZINC000001540045    		 1 C21 H25 N2 O5 P InChI=1S/C21H25N2O5P/c1-1
    5-18(13-21(22)24)19-12-17
    (28-10-5-11-29(25,26)27)8
    -9-20(19)23(15)14-16-6-3-
    2-4-7-16/h2-4,6-9,12H,5,1
    0-11,13-14H2,1H3,(H2,22,2
    4)(H2,25,26,27);
    AQEYCNKFBRLUOT-UHFFFAOYSA-N    		 O=P(O)(O)CCCOc1cc2c(cc1)n(c(c2CC(=O)N)C)
    Cc3ccccc3; Cc1c(c2cc(ccc2n1Cc3ccccc3)OCC
    CP(=O)(O)O)CC(=O)N; Cc1n(Cc2ccccc2)c3ccc
    (OCCC[P](O)(O)=O)cc3c1CC(N)=O    		 [3-(1-BENZYL-3-CARBAMOYLMETHYL-2-METHYL-1H-INDOL-5-YLOXY)-PROPYL-]-PHOSPHONIC ACID
    10493 8IO 1 C43 H81 O13 P InChI=1S/C43H81O13P/c1-3-
    5-7-9-11-13-15-17-18-20-2
    1-23-25-27-29-31-36(44)53
    -33-35(34-54-57(51,52)56-
    43-41(49)39(47)38(46)40(4
    8)42(43)50)55-37(45)32-30
    -28-26-24-22-19-16-14-12-
    10-8-6-4-2/h14,16,35,38-4
    3,46-50H,3-13,15,17-34H2,
    1-2H3,(H,51,52)/b16-14-/t
    35-,38-,39-,40-,41+,42+,4
    3-/m1/s1;
    QMAMEGDTQPWOEM-BVEAMDPASA-N    		 CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O
    )O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1
    O)OC(=O)CCCCCCCC=CCCCCCC; CCCCCCCCCCCCCC
    CCCC(=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(=O)CCCCCCC\C=C/CCCCCC; CCCCCCCCCCCCCC
    CCCC(=O)OC[C@H](COP(=O)(O)OC1[C@H]([C@@H
    ](C([C@H]([C@@H]1O)O)O)O)O)OC(=O)CCCCCCC
    /C=C\CCCCCC; CCCCCCCCCCCCCCCCCC(=O)OCC(C
    OP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CC
    CCCCCC=CCCCCCC    		 [(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-[oxidanyl-[(2S,3R,5R,6S)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] octadecanoate
    10494 8IP
    CHEMBL220346
    DB07284
    ZINC000010339547    		 1 C17 H16 N4 InChI=1S/C17H16N4/c18-17-
    16(7-3-9-20-17)21-11-13-4
    -1-5-14(10-13)15-6-2-8-19
    -12-15/h1-10,12,21H,11H2,
    (H2,18,20);
    NQSBHBFOOVYRNM-UHFFFAOYSA-N    		 n1cccc(c1)c2cccc(c2)CNc3cccnc3N; c1cc(cc
    (c1)c2cccnc2)CNc3cccnc3N; Nc1ncccc1NCc2c
    ccc(c2)c3cccnc3    		 N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE
    10495 8IQ 1 C18 H15 F3 N2 O3 InChI=1S/C18H15F3N2O3/c19
    -18(20,21)26-12-5-6-16(14
    (9-12)17(24)25)22-8-7-11-
    10-23-15-4-2-1-3-13(11)15
    /h1-6,9-10,22-23H,7-8H2,(
    H,24,25);
    JBKMTXNTOPCVOT-UHFFFAOYSA-N    		 c1ccc2c(c1)c(c[nH]2)CCNc3ccc(cc3C(=O)O)O
    C(F)(F)F; OC(=O)c1cc(OC(F)(F)F)ccc1NCCc2
    c[nH]c3ccccc23; FC(F)(F)Oc1ccc(NCCc2c[NH
    ]c3ccccc32)c(c1)C(=O)O    		 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid
    10496 8IR
    CHEMBL3752492
    ZINC000263621214    		 2 C25 H19 Cl N4 O3 InChI=1S/C25H19ClN4O3/c1-
    33-20-12-8-17(9-13-20)24(
    31)29-19-10-6-18(7-11-19)
    25(32)30(23-14-15-27-16-2
    8-23)22-5-3-2-4-21(22)26/
    h2-16H,1H3,(H,29,31);
    XGSDYBUNVFYCTB-UHFFFAOYSA-N    		 COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N(c3ccc
    cc3Cl)c4ccncn4; COc1ccc(cc1)C(=O)Nc2ccc(
    cc2)C(=O)N(c3ccncn3)c4ccccc4Cl    		 N-{4-[(2-chlorophenyl)(pyrimidin-4-yl)carbamoyl]phenyl}-4-methoxybenzamide
    10497 8IS 1 C24 H32 N2 O2 InChI=1S/C24H32N2O2/c27-2
    2(17-25-16-19-10-4-1-5-11
    -19)18-26-24(28)23(20-12-
    6-2-7-13-20)21-14-8-3-9-1
    5-21/h2-3,6-9,12-15,19,22
    -23,25,27H,1,4-5,10-11,16
    -18H2,(H,26,28)/t22-/m0/s
    1;
    FUOOCCYGXAKPCY-QFIPXVFZSA-N    		 c1ccc(cc1)C(c2ccccc2)C(=O)NCC(CNCC3CCCCC
    3)O; c1ccc(cc1)C(c2ccccc2)C(=O)NC[C@H](C
    NCC3CCCCC3)O; O[CH](CNCC1CCCCC1)CNC(=O)C
    (c2ccccc2)c3ccccc3; O[C@@H](CNCC1CCCCC1)
    CNC(=O)C(c2ccccc2)c3ccccc3    		 N-[(2S)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-2,2-diphenyl-ethanamide;
    N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide
    10498 8IT 2 C14 H13 F N2 O2 InChI=1S/C14H13FN2O2/c1-2
    -11(14(18)19)9-3-4-12(13(
    15)5-9)10-6-16-8-17-7-10/
    h3-8,11H,2H2,1H3,(H,18,19
    )/t11-/m1/s1;
    LKTIRPQROJRUNF-LLVKDONJSA-N    		 CCC(c1ccc(c(c1)F)c2cncnc2)C(=O)O; CC[CH]
    (C(O)=O)c1ccc(c(F)c1)c2cncnc2; CC[C@@H](
    C(O)=O)c1ccc(c(F)c1)c2cncnc2; CC[C@H](c1
    ccc(c(c1)F)c2cncnc2)C(=O)O    		 (2~{R})-2-(3-fluoranyl-4-pyrimidin-5-yl-phenyl)butanoic acid
    10499 8IU
    CHEMBL4520293
    ZINC000072453573    		 2 C18 H21 N5 InChI=1S/C18H21N5/c1-21(2
    )15-9-11-22(13-15)18-12-1
    6(14-6-4-3-5-7-14)20-17-8
    -10-19-23(17)18/h3-8,10,1
    2,15H,9,11,13H2,1-2H3/t15
    -/m1/s1;
    XKBSPAZCFAIBJL-OAHLLOKOSA-N    		 CN(C)[C@@H]1CCN(C1)c2cc(nc3n2ncc3)c4cccc
    c4; CN(C)[CH]1CCN(C1)c2cc(nc3ccnn23)c4cc
    ccc4; CN(C)C1CCN(C1)c1cc(nc2ccnn12)c1ccc
    cc1; CN(C)C1CCN(C1)c2cc(nc3n2ncc3)c4cccc
    c4; CN(C)[C@@H]1CCN(C1)c2cc(nc3ccnn23)c4
    ccccc4    		 (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine
    10500 8IV 1 C24 H32 N2 O2 InChI=1S/C24H32N2O2/c27-2
    2(17-25-16-19-10-4-1-5-11
    -19)18-26-24(28)23(20-12-
    6-2-7-13-20)21-14-8-3-9-1
    5-21/h2-3,6-9,12-15,19,22
    -23,25,27H,1,4-5,10-11,16
    -18H2,(H,26,28)/t22-/m1/s
    1;
    FUOOCCYGXAKPCY-JOCHJYFZSA-N    		 c1ccc(cc1)C(c2ccccc2)C(=O)NCC(CNCC3CCCCC
    3)O; O[CH](CNCC1CCCCC1)CNC(=O)C(c2ccccc2
    )c3ccccc3; c1ccc(cc1)C(c2ccccc2)C(=O)NC[
    C@@H](CNCC3CCCCC3)O; O[C@H](CNCC1CCCCC1)
    CNC(=O)C(c2ccccc2)c3ccccc3    		 N-[(2R)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-2,2-diphenyl-ethanamide;
    N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide
    10501 8IW 2 C23 H20 N4 O4 InChI=1S/C23H20N4O4/c1-27
    (2)23(30)15-4-13(8-24-9-1
    5)14-5-18-19(11-26-22(18)
    25-10-14)17-6-16(12-28)20
    (29)7-21(17)31-3/h4-12,29
    H,1-3H3,(H,25,26);
    JYBKYHQDAOGLCV-UHFFFAOYSA-N    		 CN(C)C(=O)c1cc(cnc1)c2cc3c(c[nH]c3nc2)c4
    cc(c(cc4OC)O)C=O; COc1cc(O)c(C=O)cc1c2c[
    nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C    		 5-[3-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N},~{N}-dimethyl-pyridine-3-carboxamide
    10502 8IX 1 C22 H29 N O3 InChI=1S/C22H29NO3/c1-20-
    9-16-10-21(2,12-20)14-22(
    11-16,13-20)19(26)23-17(1
    8(24)25)8-15-6-4-3-5-7-15
    /h3-7,16-17H,8-14H2,1-2H3
    ,(H,23,26)(H,24,25)/t16-,
    17-,20+,21-,22-/m1/s1;
    QSBRCNGPJBWGLQ-LQDXOGNASA-N    		 CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC(Cc4ccccc
    4)C(=O)O)C; C[C]12CC3C[C](C)(C1)CC(C3)(C
    2)C(=O)N[CH](Cc4ccccc4)C(O)=O; O=C(O)C(C
    c1ccccc1)NC(=O)C12CC3(C)CC(CC(C)(C1)C3)C
    2; C[C@@]12CC3C[C@@](C)(C1)CC(C3)(C2)C(=
    O)N[C@H](Cc4ccccc4)C(O)=O; C[C@@]12CC3C[
    C@@](C1)(CC(C3)(C2)C(=O)N[C@H](Cc4ccccc4
    )C(=O)O)C    		 N-[(1r,3R,5S,7R)-3,5-dimethyltricyclo[3.3.1.1~3,7~]decane-1-carbonyl]-D-phenylalanine
    10503 8IY 1 C32 H37 F N4 O5 InChI=1S/C32H37FN4O5/c1-4
    2-29(19-38)22-8-4-20(5-9-
    22)2-3-21-6-10-23(11-7-21
    )30(39)35-17-27-15-26(18-
    37(27)32(41)24-12-13-24)3
    6-31(40)28-14-25(33)16-34
    -28/h4-11,24-29,34,38H,12
    -19H2,1H3,(H,35,39)(H,36,
    40)/t25-,26+,27+,28-,29+/
    m0/s1;
    HFMBZFMCSBGVPE-MLZSXWJDSA-N    		 CO[C@H](CO)c1ccc(cc1)C#Cc2ccc(cc2)C(=O)N
    C[C@H]3C[C@H](CN3C(=O)C4CC4)NC(=O)[C@@H]
    5C[C@H](F)CN5; COC(CO)c1ccc(cc1)C#Cc2ccc
    (cc2)C(=O)NCC3CC(CN3C(=O)C4CC4)NC(=O)C5C
    C(CN5)F; CO[C@H](CO)c1ccc(cc1)C#Cc2ccc(c
    c2)C(=O)NC[C@H]3C[C@H](CN3C(=O)C4CC4)NC(
    =O)[C@@H]5C[C@@H](CN5)F; CO[CH](CO)c1ccc
    (cc1)C#Cc2ccc(cc2)C(=O)NC[CH]3C[CH](CN3C
    (=O)C4CC4)NC(=O)[CH]5C[CH](F)CN5    		 (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-((4-((S)-2-hydroxy-1-methoxyethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide
    10504 8IZ
    ZINC000006072377    		 1 C10 H14 N2 O6 InChI=1S/C10H14N2O6/c1-12
    -2-4(9(16)11-10(12)17)8-7
    (15)6(14)5(3-13)18-8/h2,5
    -8,13-15H,3H2,1H3,(H,11,1
    6,17)/t5-,6-,7-,8+/m1/s1;
    UVBYMVOUBXYSFV-XUTVFYLZSA-N    		 CN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C
    @H](O2)CO)O)O; CN1C=C([C@@H]2O[C@H](CO)[
    C@@H](O)[C@H]2O)C(=O)NC1=O; CN1C=C(C(=O)
    NC1=O)C2C(C(C(O2)CO)O)O; CN1C=C([CH]2O[C
    H](CO)[CH](O)[CH]2O)C(=O)NC1=O    		 5-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-pyrimidine-2,4-dione
    10505 8J0 1 C35 H50 O3 InChI=1S/C35H50O3/c1-22(6
    -4-8-33(38)35-19-24-14-25
    (20-35)16-26(15-24)21-35)
    30-11-12-31-27(7-5-13-34(
    30,31)3)9-10-28-17-29(36)
    18-32(37)23(28)2/h9-10,22
    ,24-26,29-33,36-38H,2,5-7
    ,11-21H2,1,3H3/b27-9+,28-
    10-/t22-,24-,25+,26-,29-,
    30-,31+,32+,33-,34-,35-/m
    1/s1;
    RKVGVUCXMUXZTG-LLLPRGGASA-N    		 C[C@H](CC#C[C@@H](O)C12CC3CC(CC(C3)C1)C2
    )[C@H]4CC[C@H]5C(/CCC[C@]45C)=C/C=C6/C[C
    @@H](O)C[C@H](O)C6=C; C[C@H](CC#C[C@H](C
    12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C
    @@]4(CCC/C5=C\C=C/6\C[C@H](C[C@@H](C6=C)
    O)O)C; CC(CC#CC(C12CC3CC(C1)CC(C3)C2)O)C
    4CCC5C4(CCCC5=CC=C6CC(CC(C6=C)O)O)C; C[C
    H](CC#C[CH](O)C12CC3CC(CC(C3)C1)C2)[CH]4
    CC[CH]5C(CCC[C]45C)=CC=C6C[CH](O)C[CH](O
    )C6=C    		 (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,6S)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
    10506 8J1
    CHEMBL4086610    		 2 C19 H21 N3 O InChI=1S/C19H21N3O/c1-13-
    8-19(20)22-18-10-15(6-7-1
    7(13)18)12-23-16-5-3-4-14
    (9-16)11-21-2/h3-10,21H,1
    1-12H2,1-2H3,(H2,20,22);
    XVIFXVGFIDKFPS-UHFFFAOYSA-N    		 CNCc1cccc(OCc2ccc3c(C)cc(N)nc3c2)c1; Cc1
    cc(nc2c1ccc(c2)COc3cccc(c3)CNC)N; Nc2nc1
    cc(ccc1c(c2)C)COc3cc(ccc3)CNC    		 4-methyl-7-({3-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine
    10507 8J2 7 C24 H29 N3 O4 InChI=1S/C24H29N3O4/c1-14
    (2)31-24(30)26-22-11-15(3
    )27(17(5)29)23-10-9-19(13
    -21(22)23)18-7-6-8-20(12-
    18)25-16(4)28/h6-10,12-15
    ,22H,11H2,1-5H3,(H,25,28)
    (H,26,30)/t15-,22+/m0/s1;
    UIHJJMSWZNYBQU-OYHNWAKOSA-N    		 CC(C)OC(=O)N[CH]1C[CH](C)N(C(C)=O)c2ccc(
    cc12)c3cccc(NC(C)=O)c3; C[C@H]1C[C@H](c2
    cc(ccc2N1C(=O)C)c3cccc(c3)NC(=O)C)NC(=O)
    OC(C)C; CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(
    C)=O)c2ccc(cc12)c3cccc(NC(C)=O)c3; CC1CC
    (c2cc(ccc2N1C(=O)C)c3cccc(c3)NC(=O)C)NC(
    =O)OC(C)C    		 propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
    10508 8J3 1 C35 H50 O3 InChI=1S/C35H50O3/c1-22(6
    -4-8-33(38)35-19-24-14-25
    (20-35)16-26(15-24)21-35)
    30-11-12-31-27(7-5-13-34(
    30,31)3)9-10-28-17-29(36)
    18-32(37)23(28)2/h9-10,22
    ,24-26,29-33,36-38H,2,5-7
    ,11-21H2,1,3H3/b27-9+,28-
    10-/t22-,24-,25+,26-,29-,
    30-,31+,32+,33+,34-,35-/m
    1/s1;
    RKVGVUCXMUXZTG-JQIDRQNQSA-N    		 C[C@H](CC#C[C@@H](C12CC3CC(C1)CC(C3)C2)O
    )[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C/6\C
    [C@H](C[C@@H](C6=C)O)O)C; C[C@H](CC#C[C@
    H](O)C12CC3CC(CC(C3)C1)C2)[C@H]4CC[C@H]5
    C(\CCC[C@]45C)=C\C=C/6C[C@@H](O)C[C@H](O
    )C/6=C; CC(CC#CC(C12CC3CC(C1)CC(C3)C2)O)
    C4CCC5C4(CCCC5=CC=C6CC(CC(C6=C)O)O)C; C[
    CH](CC#C[CH](O)C12CC3CC(CC(C3)C1)C2)[CH]
    4CC[CH]5C(CCC[C]45C)=CC=C6C[CH](O)C[CH](
    O)C6=C    		 (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,6R)-6-(1-adamantyl)-6-oxidanyl-hex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
    10509 8J4
    CHEMBL4117695    		 8 C20 H23 N3 O InChI=1S/C20H23N3O/c1-3-1
    4-8-16(12-22-2)10-18(9-14
    )24-13-15-4-5-17-6-7-20(2
    1)23-19(17)11-15/h4-11,22
    H,3,12-13H2,1-2H3,(H2,21,
    23);
    OCTNSHZDWVJCQD-UHFFFAOYSA-N    		 CCc1cc(CNC)cc(OCc2ccc3ccc(N)nc3c2)c1; c3
    1nc(N)ccc1ccc(COc2cc(CNC)cc(c2)CC)c3; CC
    c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNC    		 7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine
    10510 8J6
    CHEMBL4088619    		 1 C24 H29 N3 S InChI=1S/C24H29N3S/c1-23(
    2)14-20(15-24(3,4)27-23)2
    5-22-26-21(16-28-22)19-12
    -8-11-18(13-19)17-9-6-5-7
    -10-17/h5-13,16,20,27H,14
    -15H2,1-4H3,(H,25,26);
    SFPHCJXSQMJICI-UHFFFAOYSA-N    		 CC1(CC(CC(N1)(C)C)Nc2nc(cs2)c3cccc(c3)c4
    ccccc4)C; CC1(C)CC(CC(C)(C)N1)Nc2scc(n2)
    c3cccc(c3)c4ccccc4    		 4-(3-phenylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazol-2-amine
    10511 8J7
    CHEMBL4117027    		 2 C20 H23 N3 InChI=1S/C20H23N3/c1-14-1
    0-20(21)23-19-12-16(8-9-1
    8(14)19)7-6-15-4-3-5-17(1
    1-15)13-22-2/h3-5,8-12,22
    H,6-7,13H2,1-2H3,(H2,21,2
    3);
    VJMAXFIJCSRVHO-UHFFFAOYSA-N    		 c31nc(N)cc(C)c1ccc(CCc2cc(ccc2)CNC)c3; C
    NCc1cccc(CCc2ccc3c(C)cc(N)nc3c2)c1; Cc1c
    c(nc2c1ccc(c2)CCc3cccc(c3)CNC)N    		 4-methyl-7-(2-{3-[(methylamino)methyl]phenyl}ethyl)quinolin-2-amine
    10512 8J8
    CHEMBL4081869    		 4 C27 H32 N2 O4 InChI=1S/C27H32N2O4/c1-19
    -22(11-8-12-24(19)21-9-6-
    5-7-10-21)18-33-23-15-26(
    31-3)25(27(16-23)32-4)17-
    28-13-14-29-20(2)30/h5-12
    ,15-16,28H,13-14,17-18H2,
    1-4H3,(H,29,30);
    OYNIISWIMDFFAF-UHFFFAOYSA-N    		 Cc1c(cccc1c2ccccc2)COc3cc(c(c(c3)OC)CNCC
    NC(=O)C)OC; COc1cc(OCc2cccc(c2C)c3ccccc3
    )cc(OC)c1CNCCNC(C)=O    		 ~{N}-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenyl-phenyl)methoxy]phenyl]methylamino]ethyl]ethanamide
    10513 8J9
    CHEMBL5077796    		 3 C25 H32 N2 O6 InChI=1S/C25H32N2O6/c1-2-
    3-9-20(26-21(24(30)31)15-
    12-17-7-5-4-6-8-17)23(29)
    27-22(25(32)33)16-18-10-1
    3-19(28)14-11-18/h4-8,10-
    11,13-14,20-22,26,28H,2-3
    ,9,12,15-16H2,1H3,(H,27,2
    9)(H,30,31)(H,32,33)/t20-
    ,21-,22-/m0/s1;
    QJZUXIPDHISQFZ-FKBYEOEOSA-N    		 CCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O
    )N[C@@H](Cc2ccc(O)cc2)C(O)=O; CCCC[C@@H]
    (C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)N[C@@H
    ](CCc2ccccc2)C(=O)O; CCCCC(C(=O)NC(Cc1cc
    c(cc1)O)C(=O)O)NC(CCc2ccccc2)C(=O)O; CCC
    C[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N[CH]
    (Cc2ccc(O)cc2)C(O)=O    		 (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid
    10514 8JA 2 C12 H18 N4 O5 InChI=1S/C12H18N4O5/c17-9
    (5-3-1-2-4-6-10(18)16-21)
    14-8-7-13-12(20)15-11(8)1
    9/h7,21H,1-6H2,(H,14,17)(
    H,16,18)(H2,13,15,19,20);
    XGGQCNFMILXRKW-UHFFFAOYSA-N    		 C1=C(C(=O)NC(=O)N1)NC(=O)CCCCCCC(=O)NO;
    ONC(=O)CCCCCCC(=O)NC1=CNC(=O)NC1=O    		 N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N'-oxidanyl-octanediamide
    10515 8JB 0 C8 H13 N3 O5 S InChI=1S/C8H13N3O5S/c9-3(
    7(12)13)2-17-5-1-4(16-11-
    5)6(10)8(14)15/h3-4,6H,1-
    2,9-10H2,(H,12,13)(H,14,1
    5)/t3-,4-,6-/m0/s1;
    BTLNMJRNISORTP-FKZODXBYSA-N    		 C1C(ON=C1SCC(C(=O)O)N)C(C(=O)O)N; C1[C@H
    ](ON=C1SC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N
    ; N[C@@H](CSC1=NO[C@@H](C1)[C@H](N)C(O)=
    O)C(O)=O; N[CH](CSC1=NO[CH](C1)[CH](N)C(
    O)=O)C(O)=O    		 (2~{R})-2-azanyl-3-[[(5~{S})-5-[(1~{S})-1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl]-4,5-dihydro-1,2-oxazol-3-yl]sulfanyl]propanoic acid
    10516 8JC
    CHEMBL3545308
    DB11907
    ZINC000098043800    		 2 C27 H28 F3 N7 O3 InChI=1S/C27H28F3N7O3/c1-
    4-24(39)32-18-6-5-7-19(14
    -18)33-25-21(27(28,29)30)
    16-31-26(35-25)34-22-9-8-
    20(15-23(22)40-3)37-12-10
    -36(11-13-37)17(2)38/h4-9
    ,14-16H,1,10-13H2,2-3H3,(
    H,32,39)(H2,31,33,34,35);
    HUFOZJXAKZVRNJ-UHFFFAOYSA-N    		 CC(=O)N1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(c(n
    3)Nc4cccc(c4)NC(=O)C=C)C(F)(F)F; COc1cc(
    ccc1Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F
    )(F)F)N4CCN(CC4)C(C)=O    		 N-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
    10517 8JD 1 C23 H39 N7 O13 P2 S InChI=1S/C23H39N7O13P2S/c
    1-4-46-8-7-25-14(31)5-6-2
    6-21(35)18(34)23(2,3)10-4
    1-45(38,39)43-44(36,37)40
    -9-13-16(32)17(33)22(42-1
    3)30-12-29-15-19(24)27-11
    -28-20(15)30/h11-13,16-18
    ,22,32-34H,4-10H2,1-3H3,(
    H,25,31)(H,26,35)(H,36,37
    )(H,38,39)(H2,24,27,28)/t
    13-,16-,17-,18+,22-/m1/s1;
    ZYQGAGMIMDQCKA-ZSJPKINUSA-N    		 CCSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O
    )(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]
    1O)n2cnc3c(N)ncnc23; CCSCCNC(=O)CCNC(=O)
    [C@H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC
    [C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)
    ncnc23; Nc2ncnc3n(C1OC(C(O)C1O)COP(O)(=O
    )OP(O)(=O)OCC(C)(C(C(NCCC(NCCSCC)=O)=O)O
    )C)cnc23; CCSCCNC(=O)CCNC(=O)C(C(C)(C)CO
    P(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2nc
    nc3N)O)O)O; CCSCCNC(=O)CCNC(=O)[C@@H](C(
    C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([
    C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (3R)-4-[(3-{[2-(ethylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name);
    Ethyl Coenzyme A
    10518 8JE 1 C29 H24 F N3 O4 InChI=1S/C29H24FN3O4/c1-3
    3-25-10-7-20(12-22(25)16-
    32-33)27(35)19-4-2-3-17(1
    1-19)15-31-29(37)24-13-21
    (14-26(34)28(24)36)18-5-8
    -23(30)9-6-18/h2-14,16,27
    ,34-36H,15H2,1H3,(H,31,37
    )/t27-/m0/s1;
    AYTCJOWSEKPFCS-MHZLTWQESA-N    		 Cn1ncc2cc(ccc12)[CH](O)c3cccc(CNC(=O)c4c
    c(cc(O)c4O)c5ccc(F)cc5)c3; Cn1c2ccc(cc2c
    n1)[C@H](c3cccc(c3)CNC(=O)c4cc(cc(c4O)O)
    c5ccc(cc5)F)O; Cn1c2ccc(cc2cn1)C(c3cccc(
    c3)CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O; C
    n1ncc2cc(ccc12)[C@@H](O)c3cccc(CNC(=O)c4
    cc(cc(O)c4O)c5ccc(F)cc5)c3    		 5-(4-fluorophenyl)-~{N}-[[3-[(~{S})-(1-methylindazol-5-yl)-oxidanyl-methyl]phenyl]methyl]-2,3-bis(oxidanyl)benzamide
    10519 8JF
    CHEMBL4463391    		 1 C18 H17 N3 O InChI=1S/C18H17N3O/c1-11-
    6-4-7-14(12(11)2)18-15-8-
    5-9-19-16(15)10-17(21-18)
    20-13(3)22/h4-10H,1-3H3,(
    H,20,21,22);
    PKMWVRXJFLQNGE-UHFFFAOYSA-N    		 c2cnc1cc(NC(=O)C)nc(c1c2)c3c(C)c(C)ccc3;
    Cc1cccc(c1C)c2c3cccnc3cc(n2)NC(=O)C; CC
    (=O)Nc1cc2ncccc2c(n1)c3cccc(C)c3C    		 N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide
    10520 8JG
    ZINC000584905379    		 3 C20 H32 O4 InChI=1S/C20H32O4/c1-17-7
    -4-8-18(2,16(22)23)14(17)
    9-15(21)20-10-12(5-6-13(1
    7)20)19(3,24)11-20/h12-15
    ,21,24H,4-11H2,1-3H3,(H,2
    2,23)/t12-,13+,14+,15-,17
    +,18-,19-,20-/m1/s1;
    HLTDMBIYZSPLMR-ONIYAHANSA-N    		 C[C]1(O)C[C]23C[CH]1CC[CH]2[C]4(C)CCC[C]
    (C)([CH]4C[CH]3O)C(O)=O; C[C@@]12CCC[C@@
    ]([C@H]1C[C@H]([C@]34[C@H]2CC[C@H](C3)[C
    @](C4)(C)O)O)(C)C(=O)O; C43CC(O)C12CC(O)
    (C(C1)CCC2C3(C)CCCC4(C)C(=O)O)C; CC12CCC
    C(C1CC(C34C2CCC(C3)C(C4)(C)O)O)(C)C(=O)O
    ; C[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]4(
    C)CCC[C@](C)([C@H]4C[C@H]3O)C(O)=O    		 (7alpha,8alpha,10alpha,13alpha)-7,16-dihydroxykauran-18-oic acid
    10521 8JH
    CHEMBL4089641    		 1 C19 H33 N4 O5 P InChI=1S/C19H33N4O5P/c1-1
    5(2)12-17(18(24)21-11-7-6
    -10-20)23-29(26,27)14-22-
    19(25)28-13-16-8-4-3-5-9-
    16/h3-5,8-9,15,17H,6-7,10
    -14,20H2,1-2H3,(H,21,24)(
    H,22,25)(H2,23,26,27)/t17
    -/m0/s1;
    NELYNJBBQIDLOY-KRWDZBQOSA-N    		 CC(C)C[C@@H](C(=O)NCCCCN)NP(=O)(CNC(=O)O
    Cc1ccccc1)O; CC(C)CC(C(=O)NCCCCN)NP(=O)(
    CNC(=O)OCc1ccccc1)O; CC(C)C[CH](N[P](O)(
    =O)CNC(=O)OCc1ccccc1)C(=O)NCCCCN; CC(C)C
    [C@H](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)
    NCCCCN    		 ~{N}-[(2~{S})-1-(4-azanylbutylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
    10522 8JI 4 C12 H13 N O5 InChI=1S/C12H13NO5/c14-9(
    6-7-10(15)16)13-11(12(17)
    18)8-4-2-1-3-5-8/h1-5,11H
    ,6-7H2,(H,13,14)(H,15,16)
    (H,17,18)/t11-/m0/s1;
    GQFHIYFXQQEWME-NSHDSACASA-N    		 OC(=O)CCC(=O)N[CH](C(O)=O)c1ccccc1; c1cc
    c(cc1)C(C(=O)O)NC(=O)CCC(=O)O; OC(=O)CCC
    (=O)N[C@H](C(O)=O)c1ccccc1; O=C(O)CCC(=O
    )NC(C(=O)O)c1ccccc1; c1ccc(cc1)[C@@H](C(
    =O)O)NC(=O)CCC(=O)O    		 N-succinyl-L-phenylglycine
    10523 8JJ
    ZINC000584905397    		 2 C30 H44 N5 O10 P InChI=1S/C30H44N5O10P/c1-
    27-7-4-8-28(2,18(27)9-19(
    36)30-10-15(5-6-17(27)30)
    29(3,40)12-30)26(39)45-46
    (41,42)43-11-16-21(37)22(
    38)25(44-16)35-14-34-20-2
    3(31)32-13-33-24(20)35/h1
    3-19,21-22,25,36-38,40H,4
    -12H2,1-3H3,(H,41,42)(H2,
    31,32,33)/t15-,16-,17+,18
    +,19-,21-,22-,25-,27+,28-
    ,29-,30-/m1/s1;
    LGCUMWKRNQUJBL-BSUNFUJCSA-N    		 CC12CCCC(C1CC(C34C2CCC(C3)C(C4)(C)O)O)(C
    )C(=O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc
    7N)O)O; C[C]1(O)C[C]23C[CH]1CC[CH]2[C]4(
    C)CCC[C](C)([CH]4C[CH]3O)C(=O)O[P](O)(=O
    )OC[CH]5O[CH]([CH](O)[CH]5O)n6cnc7c(N)nc
    nc67; C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]
    34[C@H]2CC[C@H](C3)[C@](C4)(C)O)O)(C)C(=
    O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O
    5)n6cnc7c6ncnc7N)O)O; C[C@@]1(O)C[C@]23C
    [C@H]1CC[C@H]2[C@]4(C)CCC[C@](C)([C@H]4C
    [C@H]3O)C(=O)O[P](O)(=O)OC[C@H]5O[C@H]([
    C@H](O)[C@@H]5O)n6cnc7c(N)ncnc67; C1C67C
    C(C1(C)O)CCC7C2(C(C(CCC2)(C)C(=O)OP(=O)(
    O)OCC5C(C(C(n3cnc4c3ncnc4N)O5)O)O)CC6O)C    		 5'-O-[(R)-{[(7beta,8alpha,9beta,10alpha,13alpha,16beta)-7,16-dihydroxy-18-oxokauran-18-yl]oxy}(hydroxy)phosphoryl]adenosine
    10524 8JL
    CHEMBL4295114    		 1 C18 H14 F N O5 S InChI=1S/C18H14FNO5S/c1-2
    5-16-8-9-17(13-5-3-2-4-12
    (13)16)26(23,24)20-15-10-
    11(18(21)22)6-7-14(15)19/
    h2-10,20H,1H3,(H,21,22);
    PRQVEVLBUCMWDD-UHFFFAOYSA-N    		 COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cc(ccc3F)C
    (=O)O; COc1ccc(c2ccccc12)[S](=O)(=O)Nc3c
    c(ccc3F)C(O)=O    		 4-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
    10525 8JM
    CHEMBL4076247    		 2 C20 H18 N4 O InChI=1S/C20H18N4O/c1-2-1
    6-17(13-5-8-18-14(9-13)10
    -23-24-18)11-22-20(21)19(
    16)12-3-6-15(25)7-4-12/h3
    -11,25H,2H2,1H3,(H2,21,22
    )(H,23,24);
    ZHYXJQQBKROZDX-UHFFFAOYSA-N    		 CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc4c(c3)cn[
    nH]4; CCc1c(cnc(N)c1c2ccc(O)cc2)c3ccc4[n
    H]ncc4c3; c3(ncc(c1cc2c(cc1)nnc2)c(CC)c3
    c4ccc(cc4)O)N    		 4-[2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl]phenol
    10526 8JN 1 C21 H28 N4 O3 InChI=1S/C21H28N4O3/c1-2-
    3-5-25-18(27)16-17(24(20(
    25)28)6-4-7-26)23-19(22-1
    6)21-11-13-8-14(12-21)10-
    15(21)9-13/h4,6,13-15,26H
    ,2-3,5,7-12H2,1H3,(H,22,2
    3)/b6-4+/t13-,14+,15-,21-;
    BPTHCTUXQADTJT-ZKQWZTGNSA-N    		 CCCCN1C(=O)c2c(nc([nH]2)C34CC5CC(C3)CC4C
    5)N(C1=O)C=CCO; CCCCN1C(=O)N(/C=C/CO)c2n
    c([nH]c2C1=O)C34C[C@H]5C[C@H](CC3C5)C4;
    CCCCN1C(=O)c2c(nc([nH]2)C34C[C@@H]5C[C@H
    ](C3)CC4C5)N(C1=O)/C=C/CO; CCCCN1C(=O)N(
    C=CCO)c2nc([nH]c2C1=O)C34C[CH]5C[CH](CC3
    C5)C4    		 1-butyl-3-[(~{E})-3-oxidanylprop-1-enyl]-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione
    10527 8JO
    CHEMBL4283424    		 1 C18 H14 F N O5 S InChI=1S/C18H14FNO5S/c1-2
    5-16-8-9-17(13-5-3-2-4-12
    (13)16)26(23,24)20-11-6-7
    -15(19)14(10-11)18(21)22/
    h2-10,20H,1H3,(H,21,22);
    JMNUWFAOQMRPRY-UHFFFAOYSA-N    		 COc1ccc(c2c1cccc2)S(=O)(=O)Nc3ccc(c(c3)C
    (=O)O)F; COc1ccc(c2ccccc12)[S](=O)(=O)Nc
    3ccc(F)c(c3)C(O)=O    		 2-fluoranyl-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
    10528 8JP
    CHEMBL4092976    		 2 C20 H20 N4 O2 InChI=1S/C20H20N4O2/c1-3-
    15-16(13-6-9-17(23-10-13)
    20(26)22-2)11-24-19(21)18
    (15)12-4-7-14(25)8-5-12/h
    4-11,25H,3H2,1-2H3,(H2,21
    ,24)(H,22,26);
    UCYSSYGGXOFJKK-UHFFFAOYSA-N    		 CCc1c(cnc(N)c1c2ccc(O)cc2)c3ccc(nc3)C(=O
    )NC; CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc(nc3
    )C(=O)NC; c2(c1ccc(C(=O)NC)nc1)cnc(c(c2C
    C)c3ccc(cc3)O)N    		 6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl[3,3'-bipyridine]-6-carboxamide
    10529 8JQ
    CHEMBL4089068    		 1 C17 H29 N4 O5 P InChI=1S/C17H29N4O5P/c1-1
    3(2)10-15(16(22)19-9-8-18
    )21-27(24,25)12-20-17(23)
    26-11-14-6-4-3-5-7-14/h3-
    7,13,15H,8-12,18H2,1-2H3,
    (H,19,22)(H,20,23)(H2,21,
    24,25)/t15-/m0/s1;
    PVGHXKGUTYHASF-HNNXBMFYSA-N    		 CC(C)C[C@@H](C(=O)NCCN)NP(=O)(CNC(=O)OCc
    1ccccc1)O; CC(C)CC(C(=O)NCCN)NP(=O)(CNC(
    =O)OCc1ccccc1)O; CC(C)C[C@H](N[P](O)(=O)
    CNC(=O)OCc1ccccc1)C(=O)NCCN; CC(C)C[CH](
    N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCCN    		 ~{N}-[(2~{S})-1-(2-azanylethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
    10530 8JR
    CHEMBL4293576    		 1 C18 H14 F N O5 S InChI=1S/C18H14FNO5S/c1-2
    5-15-9-10-16(12-6-3-2-5-1
    1(12)15)26(23,24)20-14-8-
    4-7-13(17(14)19)18(21)22/
    h2-10,20H,1H3,(H,21,22);
    GBWOMBQVUCUIGY-UHFFFAOYSA-N    		 COc1ccc(c2ccccc12)[S](=O)(=O)Nc3cccc(C(O
    )=O)c3F; COc1ccc(c2c1cccc2)S(=O)(=O)Nc3c
    ccc(c3F)C(=O)O    		 2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid
    10531 8JS
    CHEMBL4209613
    ZINC000000143346    		 4 C13 H12 F N3 O2 S2 InChI=1S/C13H12FN3O2S2/c1
    4-9-1-3-10(4-2-9)16-13(20
    )17-11-5-7-12(8-6-11)21(1
    5,18)19/h1-8H,(H2,15,18,1
    9)(H2,16,17,20);
    VUDOFEJVAFMLEC-UHFFFAOYSA-N    		 c1cc(ccc1NC(Nc2ccc(cc2)S(N)(=O)=O)=S)F;
    c1cc(ccc1NC(=S)Nc2ccc(cc2)S(=O)(=O)N)F;
    N[S](=O)(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1    		 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide
    10532 8JT 1 C13 H18 N O2 InChI=1S/C13H17NO2/c1-2-4
    -11(3-1)14-8-10-5-6-12-13
    (7-10)16-9-15-12/h5-7,11,
    14H,1-4,8-9H2/p+1;
    LOYZMUZNAPZSOX-UHFFFAOYSA-O    		 C1CCC(C1)[NH2+]Cc2ccc3OCOc3c2; c1cc2c(cc
    1C[NH2+]C3CCCC3)OCO2    		 1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium
    10533 8JU 4 Fe4 O S4 InChI=1S/4Fe.O.4S;
    RAQKYMZLKKCSFU-UHFFFAOYSA-N    		 O1[Fe]S[Fe]2S[Fe]3[S]2[Fe]1S3; O1[Fe]S[F
    e]2S[Fe](S[Fe]1)S2    		 FE4-S4-O CLUSTER
    10534 8JV
    CHEMBL5075686    		 3 C24 H28 N2 O5 InChI=1S/C24H28N2O5/c1-16
    -7-10-18(11-8-16)20-13-14
    -21(24(30)31)26(20)22(27)
    15-25-19(23(28)29)12-9-17
    -5-3-2-4-6-17/h2-8,10-11,
    19-21,25H,9,12-15H2,1H3,(
    H,28,29)(H,30,31)/t19-,20
    +,21-/m0/s1;
    WVLQTFUZRYRSBE-HBMCJLEFSA-N    		 Cc1ccc(cc1)C2CCC(N2C(=O)CNC(CCc3ccccc3)C
    (=O)O)C(=O)O; Cc1ccc(cc1)[CH]2CC[CH](N2C
    (=O)CN[CH](CCc3ccccc3)C(O)=O)C(O)=O; Cc1
    ccc(cc1)[C@H]2CC[C@H](N2C(=O)CN[C@@H](CC
    c3ccccc3)C(=O)O)C(=O)O; Cc1ccc(cc1)[C@H]
    2CC[C@H](N2C(=O)CN[C@@H](CCc3ccccc3)C(O)
    =O)C(O)=O    		 (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid
    10535 8JW
    ZINC000003181875    		 1 C6 H5 F3 N2 O InChI=1S/C6H5F3N2O/c7-6(8
    ,9)3-1-4(10)5(12)11-2-3/h
    1-2H,10H2,(H,11,12);
    UKJVAYOQXPDMHO-UHFFFAOYSA-N    		 C1=C(C(=O)NC=C1C(F)(F)F)N; NC1=CC(=CNC1=
    O)C(F)(F)F    		 3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one
    10536 8JX
    CHEMBL4292481    		 1 C16 H19 N O5 S InChI=1S/C16H19NO5S/c1-22
    -14-9-10-15(13-7-3-2-6-12
    (13)14)23(20,21)17-11-5-4
    -8-16(18)19/h2-3,6-7,9-10
    ,17H,4-5,8,11H2,1H3,(H,18
    ,19);
    ZPHHWDJVJHTZHN-UHFFFAOYSA-N    		 COc1ccc(c2c1cccc2)S(=O)(=O)NCCCCC(=O)O;
    COc1ccc(c2ccccc12)[S](=O)(=O)NCCCCC(O)=O    		 5-[(4-methoxynaphthalen-1-yl)sulfonylamino]pentanoic acid
    10537 8JY 2 C28 H47 O13 P InChI=1S/C28H47O13P/c1-4-
    7-10-13-16-22(30)40-27-25
    (33)23(31)24(32)26(34)28(
    27)41-42(35,36)38-19-20(1
    8-37-17-14-11-8-5-2)39-21
    (29)15-12-9-6-3/h20,31-34
    H,4-19H2,1-3H3,(H,35,36)/
    t20-/m1/s1;
    JZBYPPGRAPDSFI-HXUWFJFHSA-N    		 CCCCCCOC[CH](CO[P](O)(=O)Oc1c(O)c(O)c(O)
    c(O)c1OC(=O)CCCCCC)OC(=O)CCCCC; CCCCCCOC
    [C@H](CO[P](O)(=O)Oc1c(O)c(O)c(O)c(O)c1O
    C(=O)CCCCCC)OC(=O)CCCCC; CCCCCCC(=O)Oc1c
    (c(c(c(c1OP(=O)(O)OCC(COCCCCCC)OC(=O)CCC
    CC)O)O)O)O; CCCCCCC(=O)Oc1c(c(c(c(c1OP(=
    O)(O)OC[C@@H](COCCCCCC)OC(=O)CCCCC)O)O)O
    )O    		 [2-[[(2~{R})-2-hexanoyloxy-3-[(~{E})-hex-3-enoxy]propoxy]-oxidanyl-phosphoryl]oxy-3,4,5,6-tetrakis(oxidanyl)phenyl] (2~{E},4~{E})-hepta-2,4-dienoate
    10538 8JZ
    CHEMBL284391
    ZINC000001699905    		 1 C6 H12 O2 InChI=1S/C6H12O2/c1-3-4-5
    -8-6(2)7/h3-5H2,1-2H3;
    DKPFZGUDAPQIHT-UHFFFAOYSA-N    		 CCCCOC(=O)C; CCCCOC(C)=O; O=C(OCCCC)C butyl acetate
    10539 8K0
    CHEMBL4285291    		 1 C15 H16 Br N O4 S InChI=1S/C15H16BrNO4S/c16
    -13-8-9-14(12-6-2-1-5-11(
    12)13)22(20,21)17-10-4-3-
    7-15(18)19/h1-2,5-6,8-9,1
    7H,3-4,7,10H2,(H,18,19);
    OGTDHOOIGRXVIY-UHFFFAOYSA-N    		 OC(=O)CCCCN[S](=O)(=O)c1ccc(Br)c2ccccc12
    ; c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCCCCC(=O
    )O    		 5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid
    10540 8K1
    ZINC000584905492    		 2 C30 H42 N5 O10 P InChI=1S/C30H42N5O10P/c1-
    27-5-4-6-28(2,17(27)8-18(
    36)30-9-14-7-15(22(27)30)
    44-29(14,3)11-30)26(39)45
    -46(40,41)42-10-16-20(37)
    21(38)25(43-16)35-13-34-1
    9-23(31)32-12-33-24(19)35
    /h12-18,20-22,25,36-38H,4
    -11H2,1-3H3,(H,40,41)(H2,
    31,32,33)/t14-,15+,16-,17
    +,18-,20-,21-,22+,25-,27-
    ,28-,29+,30+/m1/s1;
    FXLLSKDPBMRMHG-INWXLQENSA-N    		 C1(C)(CCCC2(C1CC(C34C2C5CC(C3)C(C)(C4)O5
    )O)C)C(OP(O)(=O)OCC6C(O)C(O)C(O6)n7cnc8c
    7ncnc8N)=O; C[C@@]12CCC[C@@]([C@H]1C[C@H
    ]([C@]34[C@H]2[C@@H]5C[C@H](C3)[C@](C4)(
    O5)C)O)(C)C(=O)OP(=O)(O)OC[C@@H]6[C@H]([
    C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O; C[C@]
    12C[C@]34C[C@H]1C[C@H](O2)[C@H]3[C@]5(C)
    CCC[C@](C)([C@H]5C[C@H]4O)C(=O)O[P](O)(=
    O)OC[C@H]6O[C@H]([C@H](O)[C@@H]6O)n7cnc8
    c(N)ncnc78; C[C]12C[C]34C[CH]1C[CH](O2)[
    CH]3[C]5(C)CCC[C](C)([CH]5C[CH]4O)C(=O)O
    [P](O)(=O)OC[CH]6O[CH]([CH](O)[CH]6O)n7c
    nc8c(N)ncnc78; CC12CCCC(C1CC(C34C2C5CC(C
    3)C(C4)(O5)C)O)(C)C(=O)OP(=O)(O)OCC6C(C(
    C(O6)n7cnc8c7ncnc8N)O)O    		 5'-O-[(R)-hydroxy{[(7beta,8alpha,9beta,10alpha,11beta,13alpha)-7-hydroxy-19-oxo-11,16-epoxykauran-19-yl]oxy}phosphoryl]adenosine
    10541 8K2
    CHEMBL447118
    ZINC000001037567    		 7 C4 H4 Cl N O2 S2 InChI=1S/C4H4ClNO2S2/c5-3
    -1-2-4(9-3)10(6,7)8/h1-2H
    ,(H2,6,7,8);
    RKLQLYBJAZBSEU-UHFFFAOYSA-N    		 c1cc(sc1S(=O)(=O)N)Cl; N[S](=O)(=O)c1sc(
    Cl)cc1    		 5-chloranylthiophene-2-sulfonamide
    10542 8K3
    CHEMBL18840
    ZINC000002539813    		 3 C11 H13 N3 O InChI=1S/C11H13N3O/c12-4-
    3-8-6-14-10-2-1-7(11(13)1
    5)5-9(8)10/h1-2,5-6,14H,3
    -4,12H2,(H2,13,15);
    WKZLNEWVIAGNAW-UHFFFAOYSA-N    		 c1cc2c(cc1C(=O)N)c(c[nH]2)CCN; NCCc1c[nH
    ]c2ccc(cc12)C(N)=O    		 3-(2-azanylethyl)-1H-indole-5-carboxamide
    10543 8K4 4 C22 H28 F N O2 InChI=1S/C22H28FNO2/c1-26
    -20-12-24(13-20)21(25)11-
    22(16-2-4-19(23)5-3-16)17
    -7-14-6-15(9-17)10-18(22)
    8-14/h2-5,14-15,17-18,20H
    ,6-13H2,1H3/t14-,15+,17-,
    18+,22-;
    WUEWLMUHOBWRQF-BPYUXQLRSA-N    		 COC1CN(C1)C(=O)CC2(C3CC4CC(C3)CC2C4)c5cc
    c(cc5)F; CO[CH]1CN(C1)C(=O)C[C]2(C3CC4CC
    (C3)CC2C4)c5ccc(F)cc5; CO[C@H]1CN(C1)C(=
    O)C[C@@]2(C3CC4CC(C3)CC2C4)c5ccc(F)cc5;
    c1c(ccc(c1)F)C3(CC(=O)N2CC(C2)OC)C4CC5CC
    3CC(C4)C5    		 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone
    10544 8K5 2 C8 H10 Cl N2 S InChI=1S/C8H9ClN2S/c9-7-3
    -1-6(2-4-7)5-12-8(10)11/h
    1-4H,5H2,(H3,10,11)/p+1;
    YOCWIHYZDHPSHD-UHFFFAOYSA-O    		 c1cc(ccc1CSC(=[NH2+])N)Cl; NC(=[NH2+])SC
    c1ccc(Cl)cc1    		 [azanyl-[(4-chlorophenyl)methylsulfanyl]methylidene]azanium
    10545 8K6
    ZINC000059592152    		 44 C18 H38 InChI=1S/C18H38/c1-3-5-7-
    9-11-13-15-17-18-16-14-12
    -10-8-6-4-2/h3-18H2,1-2H3;
    RZJRJXONCZWCBN-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCCCC; C(CCCCCCCCCCCCCCCC)C Octadecane;
    N-Octadecane
    10546 8K7 4 C22 H28 F N O3 InChI=1S/C22H28FNO3/c1-27
    -21-8-14-6-16(9-21)22(17(
    7-14)10-21,15-2-4-18(23)5
    -3-15)11-20(26)24-12-19(2
    5)13-24/h2-5,14,16-17,19,
    25H,6-13H2,1H3/t14-,16-,1
    7+,21-,22-;
    AVSPWVIWVZFZOT-GREYGWINSA-N    		 COC12CC3CC(C1)C(C(C3)C2)(CC(=O)N4CC(C4)O
    )c5ccc(cc5)F; COC12CC3C[C@@H](C1)[C@@](C
    C(=O)N4C[C@H](O)C4)([C@H](C3)C2)c5ccc(F)
    cc5; COC12CC3C[CH](C1)[C](CC(=O)N4C[CH](
    O)C4)([CH](C3)C2)c5ccc(F)cc5; COC12C[C@H
    ]3CC(C1)C[C@@H](C2)C3(CC(=O)N4CC(C4)O)c5
    ccc(cc5)F; c1cc(ccc1C3(CC(N2CC(O)C2)=O)C
    4CC5CC3CC(C4)(C5)OC)F    		 1-(3-HYDROXYAZETIDIN-1-YL)-2-[(2S,5R)-2-(4-FLUOROPHENYL)-5-METHOXYADAMANTAN-2-YL]ETHAN-1-ONE
    10547 8K8
    ZINC000101650924    		 1 C21 H30 N4 O3 InChI=1S/C21H30N4O3/c1-2-
    3-5-25-18(27)16-17(24(20(
    25)28)6-4-7-26)23-19(22-1
    6)21-11-13-8-14(12-21)10-
    15(21)9-13/h13-15,26H,2-1
    2H2,1H3,(H,22,23)/t13-,14
    +,15-,21-;
    CIBIXJYFYPFMTN-FZUGUKJMSA-N    		 CCCCN1C(=O)c2c(nc([nH]2)C34CC5CC(C3)CC4C
    5)N(C1=O)CCCO; CCCCN1C(=O)N(CCCO)c2nc([n
    H]c2C1=O)C34C[C@H]5C[C@H](CC3C5)C4; CCCC
    N1C(=O)c2c(nc([nH]2)C34C[C@@H]5C[C@H](C3
    )CC4C5)N(C1=O)CCCO; CCCCN1C(=O)N(CCCO)c2
    nc([nH]c2C1=O)C34C[CH]5C[CH](CC3C5)C4    		 1-butyl-3-(3-oxidanylpropyl)-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]-7~{H}-purine-2,6-dione
    10548 8K9
    ZINC000217438197    		 2 C30 H44 N2 O3 InChI=1S/C30H44N2O3/c1-7-
    29(3,4)23-12-13-27(25(15-
    23)30(5,6)8-2)35-20-24(33
    )19-31-16-21-14-22(18-31)
    26-10-9-11-28(34)32(26)17
    -21/h9-13,15,21-22,24,33H
    ,7-8,14,16-20H2,1-6H3/t21
    -,22+,24+/m0/s1;
    ITCUJNFERKWPKY-WMTXJRDZSA-N    		 CCC(C)(C)c1ccc(OC[C@H](O)CN2C[C@@H]3C[C@
    H](C2)C4=CC=CC(=O)N4C3)c(c1)C(C)(C)CC; C
    CC(C)(C)c1ccc(c(c1)C(C)(C)CC)OCC(CN2CC3C
    C(C2)C4=CC=CC(=O)N4C3)O; CCC(C)(C)c1ccc(
    OC[CH](O)CN2C[CH]3C[CH](C2)C4=CC=CC(=O)N
    4C3)c(c1)C(C)(C)CC; CCC(C)(C)c1ccc(c(c1)
    C(C)(C)CC)OC[C@@H](CN2C[C@@H]3C[C@H](C2)
    C4=CC=CC(=O)N4C3)O    		 (1~{R},9~{S})-11-[(2~{R})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one
    10549 8KA 4 C27 H30 F N O3 InChI=1S/C27H30FNO3/c28-2
    3-7-3-17(4-8-23)16-1-5-20
    (6-2-16)27(13-25(31)29-14
    -24(30)15-29)21-9-18-10-2
    2(27)12-19(11-21)26(18)32
    /h1-8,18-19,21-22,24,26,3
    0,32H,9-15H2/t18-,19+,21-
    ,22+,26-,27-/m1/s1;
    FBTIGDUFOZJGFY-YRDUTZFVSA-N    		 O[CH]1CN(C1)C(=O)C[C]2(C3CC4CC2CC(C3)[CH
    ]4O)c5ccc(cc5)c6ccc(F)cc6; N1(CC(O)C1)C(
    =O)CC4(c2ccc(cc2)c3ccc(F)cc3)C6CC5C(C(CC
    4C5)C6)O; O[C@H]1CN(C1)C(=O)C[C@]2(C3CC4
    CC2CC(C3)[C@@H]4O)c5ccc(cc5)c6ccc(F)cc6;
    c1cc(ccc1c2ccc(cc2)F)C3(C4CC5CC3CC(C4)C
    5O)CC(=O)N6CC(C6)O    		 2-[(1R,3S,5R,7S)-2-[4-(4-FLUOROPHENYL)PHENYL]-6-HYDROXYADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE
    10550 8KB
    ZINC000096111345    		 3 C5 H11 N O2 InChI=1S/C5H11NO2/c7-5-3-
    6-1-2-8-4-5/h5-7H,1-4H2/t
    5-/m1/s1;
    AJQUDIYIICBQDR-RXMQYKEDSA-N    		 C1COCC(CN1)O; O[CH]1CNCCOC1; C1COC[C@@H]
    (CN1)O; O[C@@H]1CNCCOC1    		 (6~{R})-1,4-oxazepan-6-ol
    10551 8KC
    CHEMBL5075705    		 3 C27 H33 N3 O5 InChI=1S/C27H33N3O5/c1-2-
    3-12-22(29-23(26(32)33)15
    -14-18-9-5-4-6-10-18)25(3
    1)30-24(27(34)35)16-19-17
    -28-21-13-8-7-11-20(19)21
    /h4-11,13,17,22-24,28-29H
    ,2-3,12,14-16H2,1H3,(H,30
    ,31)(H,32,33)(H,34,35)/t2
    2-,23-,24-/m0/s1;
    YWBHCYRCVYEOPE-HJOGWXRNSA-N    		 CCCC[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N[
    CH](Cc2c[nH]c3ccccc23)C(O)=O; CCCCC(C(=O
    )NC(Cc1c[nH]c2c1cccc2)C(=O)O)NC(CCc3cccc
    c3)C(=O)O; CCCC[C@@H](C(=O)N[C@@H](Cc1c[
    nH]c2c1cccc2)C(=O)O)N[C@@H](CCc3ccccc3)C
    (=O)O; CCCC[C@H](N[C@@H](CCc1ccccc1)C(O)
    =O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O    		 (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid
    10552 8KD 4 C22 H29 N O3 InChI=1S/C22H29NO3/c24-19
    -12-23(13-19)20(25)11-22(
    10-14-4-2-1-3-5-14)17-6-1
    5-7-18(22)9-16(8-17)21(15
    )26/h1-5,15-19,21,24,26H,
    6-13H2/t15-,16+,17-,18+,2
    1-,22-/m0/s1;
    TUDXSLUOQMCPRD-YORQRNKESA-N    		 c1ccc(cc1)CC2(C3CC4CC2CC(C3)C4O)CC(=O)N5
    CC(C5)O; c1ccccc1CC3(CC(=O)N2CC(O)C2)C5C
    C4C(C(CC3C4)C5)O; O[CH]1CN(C1)C(=O)C[C]2
    (Cc3ccccc3)C4CC5CC2CC(C4)[CH]5O; O[C@H]1
    CN(C1)C(=O)C[C@@]2(Cc3ccccc3)C4CC5CC2CC(
    C4)[C@@H]5O    		 2-(2-BENZYL-6-HYDROXYADAMANTAN-2-YL)-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE
    10553 8KF 1 C20 H13 F3 N2 O2 InChI=1S/C20H13F3N2O2/c21
    -20(22,23)11-5-7-18(15(9-
    11)19(26)27)24-12-6-8-17-
    14(10-12)13-3-1-2-4-16(13
    )25-17/h1-10,24-25H,(H,26
    ,27);
    BTPUVXUBUMOBRX-UHFFFAOYSA-N    		 c1ccc2c(c1)c3cc(ccc3[nH]2)Nc4ccc(cc4C(=O
    )O)C(F)(F)F; OC(=O)c1cc(ccc1Nc2ccc3[nH]c
    4ccccc4c3c2)C(F)(F)F; FC(F)(F)c1ccc(Nc2c
    c3c4ccccc4[NH]c3cc2)c(c1)C(=O)O    		 2-[(9H-carbazol-3-yl)amino]-5-(trifluoromethyl)benzoic acid
    10554 8KG 6 C21 H27 N O3 InChI=1S/C21H27NO3/c23-18
    -11-22(12-18)19(24)10-21(
    15-4-2-1-3-5-15)16-6-13-7
    -17(21)9-14(8-16)20(13)25
    /h1-5,13-14,16-18,20,23,2
    5H,6-12H2/t13-,14+,16-,17
    +,20-,21-/m1/s1;
    OAAZMUGLOXGVNH-TUOVGCFYSA-N    		 c1c(cccc1)C3(CC(=O)N2CC(O)C2)C4CC5CC3CC(
    C4)C5O; c1ccc(cc1)C2(C3CC4CC2CC(C3)C4O)C
    C(=O)N5CC(C5)O; O[CH]1CN(C1)C(=O)C[C]2(C
    3CC4CC2CC(C3)[CH]4O)c5ccccc5; O[C@H]1CN(
    C1)C(=O)C[C@@]2(C3CC4CC2CC(C3)[C@@H]4O)c
    5ccccc5    		 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE
    10555 8KH
    CHEMBL5092273    		 2 C52 H60 F3 N9 O7 S InChI=1S/C52H60F3N9O7S/c1
    -31-45(72-30-59-31)34-11-
    9-32(10-12-34)27-58-49(70
    )42-25-37(65)29-64(42)50(
    71)46(51(2,3)4)61-43(66)8
    -6-7-19-56-47(68)35-15-13
    -33(14-16-35)36-17-18-41(
    63-22-20-62(5)21-23-63)40
    (24-36)60-48(69)38-28-57-
    44(67)26-39(38)52(53,54)5
    5/h9-18,24,26,28,30,37,42
    ,46,65H,6-8,19-23,25,27,2
    9H2,1-5H3,(H,56,68)(H,57,
    67)(H,58,70)(H,60,69)(H,6
    1,66)/t37-,42+,46-/m1/s1;
    OFNZESNEBSQKSE-BQGOKDIQSA-N    		 Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H]
    (CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCNC(=O)
    c4ccc(cc4)c5ccc(c(c5)NC(=O)C6=CNC(=O)C=C
    6C(F)(F)F)N7CCN(CC7)C)O; Cc1c(scn1)c2ccc
    (cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=
    O)CCCCNC(=O)c4ccc(cc4)c5ccc(c(c5)NC(=O)C
    6=CNC(=O)C=C6C(F)(F)F)N7CCN(CC7)C)O; CN1
    CCN(CC1)c2ccc(cc2NC(=O)C3=CNC(=O)C=C3C(F
    )(F)F)c4ccc(cc4)C(=O)NCCCCC(=O)N[CH](C(=
    O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6)c7scn
    c7C)C(C)(C)C; CN1CCN(CC1)c2ccc(cc2NC(=O)
    C3=CNC(=O)C=C3C(F)(F)F)c4ccc(cc4)C(=O)NC
    CCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(
    =O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C    		 N-[5-[4-[[5-[[(2S)-3,3-dimethyl-1-[(2S,4R)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;
    Homer (chemical degrader probe)
    10556 8KI 1 C12 H20 N2 O6 InChI=1S/C12H20N2O6/c1-6-
    3-4-20-12(9(17)11(2,19)5-
    15)10(18)13-7(6)8(16)14-1
    2/h6-7,9,15,17,19H,3-5H2,
    1-2H3,(H,13,18)(H,14,16)/
    t6-,7-,9-,11-,12-/m0/s1;
    BXNDMHSEWSMSNI-USYUNJQESA-N    		 CC1CCOC2(C(=O)NC1C(=O)N2)C(C(C)(CO)O)O;
    C[CH]1CCO[C]2(NC(=O)[CH]1NC2=O)[CH](O)[C
    ](C)(O)CO; C[C@H]1CCO[C@]2(C(=O)N[C@@H]1
    C(=O)N2)[C@H]([C@](C)(CO)O)O; C[C@H]1CCO
    [C@@]2(NC(=O)[C@H]1NC2=O)[C@@H](O)[C@@](
    C)(O)CO    		 (1S,5S,6S)-5-methyl-1-[(1S,2S)-2-methyl-1,2,3-tris(oxidanyl)propyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione
    10557 8KK
    CHEMBL4099785    		 1 C18 H31 N4 O5 P InChI=1S/C18H31N4O5P/c1-1
    4(2)11-16(17(23)20-10-6-9
    -19)22-28(25,26)13-21-18(
    24)27-12-15-7-4-3-5-8-15/
    h3-5,7-8,14,16H,6,9-13,19
    H2,1-2H3,(H,20,23)(H,21,2
    4)(H2,22,25,26)/t16-/m0/s
    1;
    YXKYWNUEXNHFHI-INIZCTEOSA-N    		 CC(C)CC(C(=O)NCCCN)NP(=O)(CNC(=O)OCc1ccc
    cc1)O; CC(C)C[C@@H](C(=O)NCCCN)NP(=O)(CN
    C(=O)OCc1ccccc1)O; CC(C)C[C@H](N[P](O)(=
    O)CNC(=O)OCc1ccccc1)C(=O)NCCCN; CC(C)C[C
    H](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCC
    CN    		 ~{N}-[(2~{S})-1-(3-azanylpropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid
    10558 8KL
    CHEMBL1187414
    ZINC000040428704    		 1 C31 H28 N2 O4 InChI=1S/C31H28N2O4/c1-34
    -28-10-9-22-16-27-24-18-3
    0-29(36-20-37-30)17-23(24
    )11-14-33(27)19-25(22)31(
    28)35-15-5-13-32-12-4-7-2
    1-6-2-3-8-26(21)32/h2-4,6
    -10,12,16-19H,5,11,13-15,
    20H2,1H3/q+2;
    NCXCLFQYKFLSTH-UHFFFAOYSA-N    		 COc1ccc2cc-3[n+](cc2c1OCCC[n+]4cccc5c4cc
    cc5)CCc6c3cc7c(c6)OCO7; COc1ccc2cc3c4cc5
    OCOc5cc4CC[n+]3cc2c1OCCC[n+]6cccc7ccccc6
    7    		 9-O-3'-quinolinium propylberberine
    10559 8KM 1 C18 H18 N2 O2 S InChI=1S/C18H18N2O2S/c1-1
    3-2-4-14(5-3-13)12-23(21,
    22)20-17-9-8-16(11-19)18(
    10-17)15-6-7-15/h2-5,8-10
    ,15,20H,6-7,12H2,1H3;
    PVSUTUAFYDGUTJ-UHFFFAOYSA-N    		 Cc1ccc(C[S](=O)(=O)Nc2ccc(C#N)c(c2)C3CC3
    )cc1; C1CC1c2c(ccc(c2)NS(Cc3ccc(cc3)C)(=
    O)=O)C#N; Cc1ccc(cc1)CS(=O)(=O)Nc2ccc(c(
    c2)C3CC3)C#N    		 N-(4-cyano-3-cyclopropylphenyl)-1-(4-methylphenyl)methanesulfonamide
    10560 8KN
    CHEMBL4084283    		 1 C20 H33 N4 O7 P InChI=1S/C20H33N4O7P/c1-1
    4(2)11-17(18(25)23-16(19(
    26)27)9-6-10-21)24-32(29,
    30)13-22-20(28)31-12-15-7
    -4-3-5-8-15/h3-5,7-8,14,1
    6-17H,6,9-13,21H2,1-2H3,(
    H,22,28)(H,23,25)(H,26,27
    )(H2,24,29,30)/t16-,17-/m
    0/s1;
    WVIBWHYQVPNZPE-IRXDYDNUSA-N    		 CC(C)CC(C(=O)NC(CCCN)C(=O)O)NP(=O)(CNC(=
    O)OCc1ccccc1)O; CC(C)C[C@@H](C(=O)N[C@@H
    ](CCCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O
    ; CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc
    1)C(=O)N[CH](CCCN)C(O)=O; CC(C)C[C@H](N[
    P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](
    CCCN)C(O)=O    		 (2~{S})-5-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoic acid
    10561 8KO 1 C16 H25 N3 O4 InChI=1S/C16H25N3O4/c1-10
    (2)8-13(15(21)19-23)18-16
    (22)14(20)12(17)9-11-6-4-
    3-5-7-11/h3-7,10,12-14,20
    ,23H,8-9,17H2,1-2H3,(H,18
    ,22)(H,19,21)/t12-,13+,14
    +/m1/s1;
    PDGKGKXSTPZBJG-RDBSUJKOSA-N    		 CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1cc
    ccc1)C(=O)NO; CC(C)C[CH](NC(=O)[CH](O)[C
    H](N)Cc1ccccc1)C(=O)NO; CC(C)CC(C(=O)NO)
    NC(=O)C(C(Cc1ccccc1)N)O; CC(C)C[C@@H](C(
    =O)NO)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O    		 (2S)-2-[[(2S,3R)-3-azanyl-2-oxidanyl-4-phenyl-butanoyl]amino]-4-methyl-N-oxidanyl-pentanamide
    10562 8KP 1 C18 H20 N2 O2 S InChI=1S/C18H20N2O2S/c1-4
    -16-10-17(9-14(3)18(16)11
    -19)20-23(21,22)12-15-7-5
    -13(2)6-8-15/h5-10,20H,4,
    12H2,1-3H3;
    JJJGFSNVNAZOCI-UHFFFAOYSA-N    		 CCc1cc(N[S](=O)(=O)Cc2ccc(C)cc2)cc(C)c1C
    #N; CCc1cc(cc(c1C#N)C)NS(=O)(=O)Cc2ccc(c
    c2)C    		 N-(4-cyano-3-ethyl-5-methylphenyl)-1-(4-methylphenyl)methanesulfonamide
    10563 8KQ 2 C20 H17 F3 N2 O2 InChI=1S/C20H17F3N2O2/c21
    -20(22,23)11-5-7-18(15(9-
    11)19(26)27)24-12-6-8-17-
    14(10-12)13-3-1-2-4-16(13
    )25-17/h1-5,7,9,12,24-25H
    ,6,8,10H2,(H,26,27)/t12-/
    m1/s1;
    XHQVLQUSWZJCCC-GFCCVEGCSA-N    		 c1ccc2c(c1)c3c([nH]2)CCC(C3)Nc4ccc(cc4C(
    =O)O)C(F)(F)F; OC(=O)c1cc(ccc1N[CH]2CCc3
    [nH]c4ccccc4c3C2)C(F)(F)F; FC(F)(F)c1ccc
    (NC2Cc3c4ccccc4[NH]c3CC2)c(c1)C(=O)O; c1
    ccc2c(c1)c3c([nH]2)CC[C@H](C3)Nc4ccc(cc4
    C(=O)O)C(F)(F)F; OC(=O)c1cc(ccc1N[C@@H]2
    CCc3[nH]c4ccccc4c3C2)C(F)(F)F    		 2-{[(3R)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amino}-5-(trifluoromethyl)benzoic acid
    10564 8KR 1 C14 H21 N3 O3 InChI=1S/C14H21N3O3/c1-9(
    2)8-12(13(18)17-20)16-14(
    19)15-11-7-5-4-6-10(11)3/
    h4-7,9,12,20H,8H2,1-3H3,(
    H,17,18)(H2,15,16,19)/t12
    -/m1/s1;
    YFYYARIPVYPKOB-GFCCVEGCSA-N    		 Cc1ccccc1NC(=O)NC(CC(C)C)C(=O)NO; CC(C)C
    [CH](NC(=O)Nc1ccccc1C)C(=O)NO; CC(C)C[C@
    @H](NC(=O)Nc1ccccc1C)C(=O)NO; Cc1ccccc1N
    C(=O)N[C@H](CC(C)C)C(=O)NO    		 (2R)-4-methyl-2-[(2-methylphenyl)carbamoylamino]-N-oxidanyl-pentanamide
    10565 8KS
    CHEMBL4281879    		 14 C28 H22 O4 InChI=1S/C28H22O4/c29-27(
    30)25-23(19-11-3-1-4-12-1
    9)26(24(25)20-13-5-2-6-14
    -20)28(31)32-22-17-9-15-1
    8-10-7-8-16-21(18)22/h1-1
    7,23-26H,(H,29,30)/t23-,2
    4-,25-,26-/m0/s1;
    NVOKBONTLOAJKA-CQJMVLFOSA-N    		 OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c2ccccc2
    )C(=O)Oc3cccc4ccccc34)c5ccccc5; C3(C(Oc1
    cccc2ccccc12)=O)C(C(C(=O)O)C3c4ccccc4)c5
    ccccc5; OC(=O)[CH]1[CH]([CH]([CH]1c2cccc
    c2)C(=O)Oc3cccc4ccccc34)c5ccccc5; c1ccc(
    cc1)C2C(C(C2C(=O)Oc3cccc4c3cccc4)c5ccccc
    5)C(=O)O; c1ccc(cc1)[C@H]2C([C@@H](C2C(=
    O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O    		 (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid
    10566 8KT
    ZINC000022067291    		 0 C9 H5 F3 N2 O2 InChI=1S/C9H5F3N2O2/c10-9
    (11,12)8(13-14-8)6-3-1-5(
    2-4-6)7(15)16/h1-4H,(H,15
    ,16);
    CZPAJVBVULSLGG-UHFFFAOYSA-N    		 OC(=O)c1ccc(cc1)C2(N=N2)C(F)(F)F; c1cc(c
    cc1C(=O)O)C2(N=N2)C(F)(F)F    		 4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzoic acid
    10567 8KU 1 C26 H25 Cl N4 O5 S InChI=1S/C26H25ClN4O5S/c2
    7-17-7-2-4-10-20(17)37-14
    -21(32)31-11-5-8-18(31)24
    -29-22(23(33)26(35)30-24)
    25(34)28-13-16-12-15-6-1-
    3-9-19(15)36-16/h1-4,6-7,
    9-10,16,18,33H,5,8,11-14H
    2,(H,28,34)(H,29,30,35)/t
    16-,18-/m0/s1;
    DAFZALMPATYNDF-WMZOPIPTSA-N    		 c1ccc2c(c1)CC(O2)CNC(=O)C3=C(C(=O)NC(=N3
    )C4CCCN4C(=O)CSc5ccccc5Cl)O; OC1=C(N=C(N
    C1=O)[C@@H]2CCCN2C(=O)CSc3ccccc3Cl)C(=O)
    NC[C@@H]4Cc5ccccc5O4; OC1=C(N=C(NC1=O)[C
    H]2CCCN2C(=O)CSc3ccccc3Cl)C(=O)NC[CH]4Cc
    5ccccc5O4; C3(=O)C(O)=C(C(=O)NCC2Cc1cccc
    c1O2)N=C(N3)C4CCCN4C(CSc5ccccc5Cl)=O; c1
    ccc2c(c1)C[C@H](O2)CNC(=O)C3=C(C(=O)NC(=
    N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O    		 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-{[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide;
    SRI-30027
    10568 8KV
    ZINC000584905513    		 1 C19 H19 N3 O3 InChI=1S/C19H19N3O3/c1-13
    (21-19(23)22-15-6-4-3-5-7
    -15)14-8-9-16(17(10-14)24
    -2)18-11-20-12-25-18/h3-1
    3H,1-2H3,(H2,21,22,23)/t1
    3-/m0/s1;
    UDNLNRJCNHAFEZ-ZDUSSCGKSA-N    		 COc1cc(ccc1c2ocnc2)[C@H](C)NC(=O)Nc3cccc
    c3; c3(NC(NC(C)c1cc(OC)c(cc1)c2cnco2)=O)
    ccccc3; COc1cc(ccc1c2ocnc2)[CH](C)NC(=O)
    Nc3ccccc3; CC(c1ccc(c(c1)OC)c2cnco2)NC(=
    O)Nc3ccccc3; C[C@@H](c1ccc(c(c1)OC)c2cnc
    o2)NC(=O)Nc3ccccc3    		 N-{(1S)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl}-N'-phenylurea
    10569 8KW
    CHEMBL228126
    ZINC000004098623    		 1 C15 H16 O3 InChI=1S/C15H16O3/c1-18-1
    4-9-11(8-13(16)10-14)6-7-
    12-4-2-3-5-15(12)17/h2-5,
    8-10,16-17H,6-7H2,1H3;
    IUMFLNFLJUUODE-UHFFFAOYSA-N    		 COc1cc(O)cc(CCc2ccccc2O)c1; COc1cc(cc(c1
    )O)CCc2ccccc2O    		 3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol
    10570 8KX
    CHEMBL3335789
    ZINC000072194202    		 1 C21 H12 F3 N O6 S InChI=1S/C21H12F3NO6S/c22
    -21(23,24)10-5-7-11(8-6-1
    0)25-32(30,31)15-9-14-16(
    20(29)19(15)28)18(27)13-4
    -2-1-3-12(13)17(14)26/h1-
    9,25,28-29H;
    XKVNBCMGEUDKNP-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O
    )(=O)Nc4ccc(cc4)C(F)(F)F; Oc1c(O)c(cc2C(
    =O)c3ccccc3C(=O)c12)[S](=O)(=O)Nc4ccc(cc
    4)C(F)(F)F    		 3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-~{N}-[4-(trifluoromethyl)phenyl]anthracene-2-sulfonamide
    10571 8KY
    ZINC000584905503    		 11 C21 H23 Cl N2 O4 InChI=1S/C21H23ClN2O4/c1-
    13(2)14-6-5-7-15(10-14)21
    (3,4)24-20(27)23-16-8-9-1
    7(22)18(11-16)28-12-19(25
    )26/h5-11H,1,12H2,2-4H3,(
    H,25,26)(H2,23,24,27);
    NIAYZIDQFFFUTN-UHFFFAOYSA-N    		 CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c
    (OCC(O)=O)c2; CC(=C)c1cccc(c1)C(C)(C)NC(
    =O)Nc2ccc(c(c2)OCC(=O)O)Cl; CC(c1cccc(\C
    (=C)C)c1)(C)NC(=O)Nc2cc(OCC(=O)O)c(Cl)cc
    2    		 {2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenoxy}acetic acid
    10572 8KZ
    CHEMBL498917
    ZINC000006483567    		 5 C15 H14 O3 InChI=1S/C15H14O3/c1-18-1
    5-9-12(8-14(17)10-15)3-2-
    11-4-6-13(16)7-5-11/h2-10
    ,16-17H,1H3/b3-2+;
    KUWZXOMQXYWKBS-NSCUHMNNSA-N    		 COc1cc(cc(c1)O)/C=C/c2ccc(cc2)O; COc1cc(
    O)cc(C=Cc2ccc(O)cc2)c1; COc1cc(cc(c1)O)C
    =Cc2ccc(cc2)O; COc1cc(O)cc(/C=C/c2ccc(O)
    cc2)c1    		 3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxy-phenol;
    Pinostilbene
    10573 8L0
    CHEMBL2332521
    ZINC000095587681    		 1 C14 H20 Cl N3 O3 InChI=1S/C14H20ClN3O3/c1-
    9(2)6-12(13(19)18-21)17-1
    4(20)16-8-10-4-3-5-11(15)
    7-10/h3-5,7,9,12,21H,6,8H
    2,1-2H3,(H,18,19)(H2,16,1
    7,20)/t12-/m0/s1;
    RWIGPNFZQZONOD-LBPRGKRZSA-N    		 CC(C)CC(C(=O)NO)NC(=O)NCc1cccc(c1)Cl; CC
    (C)C[C@H](NC(=O)NCc1cccc(Cl)c1)C(=O)NO;
    CC(C)C[C@@H](C(=O)NO)NC(=O)NCc1cccc(c1)C
    l; CC(C)C[CH](NC(=O)NCc1cccc(Cl)c1)C(=O)
    NO    		 (2S)-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
    10574 8L1
    ZINC000584905510    		 31 C22 H20 Cl F3 N4 O2 S InChI=1S/C22H20ClF3N4O2S/
    c1-12(30-32)13-5-4-6-14(9
    -13)21(2,3)29-20(31)27-15
    -7-8-17(23)16(10-15)19-28
    -18(11-33-19)22(24,25)26/
    h4-11,32H,1-3H3,(H2,27,29
    ,31)/b30-12+;
    RTMPYAODZXTXJR-PNQUVVCRSA-N    		 C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(
    c(c2)c3nc(cs3)C(F)(F)F)Cl; CC(=NO)c1cccc
    (c1)C(C)(C)NC(=O)Nc2ccc(c(c2)c3nc(cs3)C(
    F)(F)F)Cl; C\C(=N/O)c1cccc(c1)C(C)(C)NC(
    =O)Nc2ccc(Cl)c(c2)c3scc(n3)C(F)(F)F; c1(
    cccc(C(\C)=N\O)c1)C(C)(C)NC(=O)Nc2cc(c(c
    c2)Cl)c3nc(cs3)C(F)(F)F; CC(=NO)c1cccc(c
    1)C(C)(C)NC(=O)Nc2ccc(Cl)c(c2)c3scc(n3)C
    (F)(F)F    		 N-{4-chloro-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl}-N'-(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)urea
    10575 8L2
    CHEMBL4074127    		 1 C18 H29 N4 O7 P InChI=1S/C18H29N4O7P/c1-1
    2(2)8-14(16(23)21-15(9-19
    )17(24)25)22-30(27,28)11-
    20-18(26)29-10-13-6-4-3-5
    -7-13/h3-7,12,14-15H,8-11
    ,19H2,1-2H3,(H,20,26)(H,2
    1,23)(H,24,25)(H2,22,27,2
    8)/t14-,15-/m0/s1;
    XMQOUWSDXLWVTQ-GJZGRUSLSA-N    		 CC(C)C[C@H](N[P](O)(=O)CNC(=O)OCc1ccccc1
    )C(=O)N[C@@H](CN)C(O)=O; CC(C)C[CH](N[P]
    (O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](CN)C
    (O)=O; CC(C)CC(C(=O)NC(CN)C(=O)O)NP(=O)(
    CNC(=O)OCc1ccccc1)O; CC(C)C[C@@H](C(=O)N
    [C@@H](CN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc
    1)O    		 (2~{S})-3-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid
    10576 8L3
    CHEMBL4559828    		 10 C18 H20 Cl2 N2 O InChI=1S/C18H20Cl2N2O/c19
    -16-4-3-14(10-17(16)20)11
    -18(5-8-21-9-6-18)13-23-1
    5-2-1-7-22-12-15/h1-4,7,1
    0,12,21H,5-6,8-9,11,13H2;
    DFIMBYYXCVFOEJ-UHFFFAOYSA-N    		 c1cc(cnc1)OCC2(CCNCC2)Cc3ccc(c(c3)Cl)Cl;
    Clc1ccc(CC2(CCNCC2)COc3cccnc3)cc1Cl    		 3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine
    10577 8L4
    ZINC000584905504    		 40 C17 H19 Cl N4 O2 InChI=1S/C17H19ClN4O2/c1-
    17(2,12-5-3-4-11(10-12)15
    (19)22-24)21-16(23)20-14-
    8-6-13(18)7-9-14/h3-10,24
    H,1-2H3,(H2,19,22)(H2,20,
    21,23);
    NZOIAPIDYRJDOM-UHFFFAOYSA-N    		 CC(C)(c1cccc(c1)C(=N)NO)NC(=O)Nc2ccc(cc2
    )Cl; CC(C)(NC(=O)Nc1ccc(Cl)cc1)c2cccc(c2
    )C(=N)NO; [H]/N=C(/c1cccc(c1)C(C)(C)NC(=
    O)Nc2ccc(cc2)Cl)\NO; C(=N)(\c1cccc(c1)C(
    C)(C)NC(Nc2ccc(Cl)cc2)=O)NO    		 3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide
    10578 8L5 1 C16 H27 N4 O5 P InChI=1S/C16H27N4O5P/c1-1
    2(2)8-14(15(21)18-10-17)2
    0-26(23,24)11-19-16(22)25
    -9-13-6-4-3-5-7-13/h3-7,1
    2,14H,8-11,17H2,1-2H3,(H,
    18,21)(H,19,22)(H2,20,23,
    24)/t14-/m0/s1;
    ZWHZNGLEKAHTFA-AWEZNQCLSA-N    		 CC(C)CC(C(=O)NCN)NP(=O)(CNC(=O)OCc1ccccc
    1)O; CC(C)C[C@@H](C(=O)NCN)NP(=O)(CNC(=O
    )OCc1ccccc1)O; CC(C)C[CH](N[P](O)(=O)CNC
    (=O)OCc1ccccc1)C(=O)NCN; CC(C)C[C@H](N[P
    ](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCN; NCNC
    (=O)C(CC(C)C)NP(=O)(O)CNC(=O)OCc1ccccc1    		 N-(aminomethyl)-N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-L-leucinamide
    10579 8L6 12 C30 H42 O9 InChI=1S/C30H42O9/c1-16-1
    3-22(38-24(33)17(16)2)26(
    5,34)30(36)12-11-28(35)20
    -14-23-29(39-23)9-6-7-21(
    32)25(29,4)19(20)8-10-27(
    28,30)15-37-18(3)31/h19-2
    0,22-23,34-36H,6-15H2,1-5
    H3/t19-,20+,22-,23+,25-,2
    6-,27+,28+,29+,30+/m0/s1;
    PLMVDZBEQUQDAZ-NWMHWCAESA-N    		 CC1=C(C(=O)O[C@@H](C1)[C@@](C)([C@@]2(CC
    [C@@]3([C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]
    6([C@@]4(C(=O)CCC6)C)O5)COC(=O)C)O)O)O)C
    ; CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C
    3CC5C6(C4(C(=O)CCC6)C)O5)COC(=O)C)O)O)O)
    C; CC(=O)OC[C]12CC[CH]3[CH](C[CH]4O[C]45
    CCCC(=O)[C]35C)[C]1(O)CC[C]2(O)[C](C)(O)
    [CH]6CC(=C(C)C(=O)O6)C; CC(=O)OC[C@]12CC
    [C@H]3[C@@H](C[C@H]4O[C@]45CCCC(=O)[C@]3
    5C)[C@]1(O)CC[C@@]2(O)[C@@](C)(O)[C@@H]6
    CC(=C(C)C(=O)O6)C; CC=1CC(OC(=O)C=1C)C(C
    )(O)C1(O)CCC2(O)C3CC4OC44CCCC(=O)C4(C)C3
    CCC12COC(C)=O    		 Physachenolide C
    10580 8L7
    ZINC000584905509    		 21 C24 H30 Cl N3 O5 InChI=1S/C24H30ClN3O5/c1-
    13(2)14-6-5-7-15(10-14)24
    (3,4)28-23(32)26-16-8-9-1
    7(25)18(11-16)27-22-21(31
    )20(30)19(12-29)33-22/h5-
    11,19-22,27,29-31H,1,12H2
    ,2-4H3,(H2,26,28,32)/t19-
    ,20-,21-,22+/m1/s1;
    RGENKIJBZZZCQP-YSFYHYPLSA-N    		 CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2
    )N[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C
    l; CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(C
    l)c(N[CH]3O[CH](CO)[CH](O)[CH]3O)c2; CC(
    =C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(N[
    C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2; c1(c
    ccc(c1)\C(=C)C)C(C)(NC(Nc3ccc(Cl)c(NC2OC
    (C(C2O)O)CO)c3)=O)C; CC(=C)c1cccc(c1)C(C
    )(C)NC(=O)Nc2ccc(c(c2)NC3C(C(C(O3)CO)O)O
    )Cl    		 N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-alpha-D-ribofuranosylamine
    10581 8L8
    ZINC000584905500    		 2 C21 H24 O5 InChI=1S/C21H24O5/c22-13-
    18-20(24)21(25)19(23)17(2
    6-18)8-4-5-14-9-11-16(12-
    10-14)15-6-2-1-3-7-15/h1-
    7,9-12,17-25H,8,13H2/b5-4
    -/t17-,18-,19-,20-,21-/m1
    /s1;
    LCHHZYSXLCTOOA-HUGGVCKESA-N    		 c1ccc(cc1)c2ccc(cc2)/C=C\C[C@@H]3[C@H]([
    C@H]([C@@H]([C@H](O3)CO)O)O)O; OC[CH]1O[
    CH](CC=Cc2ccc(cc2)c3ccccc3)[CH](O)[CH](O
    )[CH]1O; OC[C@H]1O[C@H](C\C=C/c2ccc(cc2)
    c3ccccc3)[C@@H](O)[C@@H](O)[C@@H]1O; c1c
    cc(cc1)c2ccc(cc2)C=CCC3C(C(C(C(O3)CO)O)O
    )O    		 (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(Z)-3-(4-phenylphenyl)prop-2-enyl]oxane-3,4,5-triol
    10582 8L9
    CHEMBL4440358    		 9 C20 H14 Br Cl2 F N2 O6 S2 InChI=1S/C20H14BrCl2FN2O6
    S2/c1-10-4-17(24)16(21)9-
    18(10)26-34(31,32)19-3-2-
    13(8-15(19)20(27)28)25-33
    (29,30)14-6-11(22)5-12(23
    )7-14/h2-9,25-26H,1H3,(H,
    27,28);
    MJYYUGUIBHEWRX-UHFFFAOYSA-N    		 Cc1cc(F)c(Br)cc1N[S](=O)(=O)c2ccc(N[S](=
    O)(=O)c3cc(Cl)cc(Cl)c3)cc2C(O)=O; Cc1cc(
    c(cc1NS(=O)(=O)c2ccc(cc2C(=O)O)NS(=O)(=O
    )c3cc(cc(c3)Cl)Cl)Br)F    		 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid
    10583 8LA
    ZINC000584905491    		 24 C24 H29 Cl N2 O6 InChI=1S/C24H29ClN2O6/c1-
    13(2)14-6-5-7-15(10-14)24
    (3,4)27-23(31)26-16-8-9-1
    7(25)18(11-16)32-22-21(30
    )20(29)19(12-28)33-22/h5-
    11,19-22,28-30H,1,12H2,2-
    4H3,(H2,26,27,31)/t19-,20
    -,21-,22+/m1/s1;
    DGCHEIBDGDMRPM-YSFYHYPLSA-N    		 CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c
    (O[CH]3O[CH](CO)[CH](O)[CH]3O)c2; CC(=C)
    c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)OC3C(
    C(C(O3)CO)O)O)Cl; CC(=C)c1cccc(c1)C(C)(C
    )NC(=O)Nc2ccc(c(c2)O[C@@H]3[C@@H]([C@@H]
    ([C@H](O3)CO)O)O)Cl; CC(=C)c1cccc(c1)C(C
    )(C)NC(=O)Nc2ccc(Cl)c(O[C@H]3O[C@H](CO)[
    C@@H](O)[C@H]3O)c2; c3(C(C)(C)NC(=O)Nc1c
    cc(c(c1)OC2C(O)C(O)C(CO)O2)Cl)cccc(c3)/C
    (C)=C    		 N-[4-chloro-3-(alpha-D-ribofuranosyloxy)phenyl]-N'-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea
    10584 8LB
    CHEMBL4071227    		 1 C21 H35 N4 O7 P InChI=1S/C21H35N4O7P/c1-1
    5(2)12-18(19(26)24-17(20(
    27)28)10-6-7-11-22)25-33(
    30,31)14-23-21(29)32-13-1
    6-8-4-3-5-9-16/h3-5,8-9,1
    5,17-18H,6-7,10-14,22H2,1
    -2H3,(H,23,29)(H,24,26)(H
    ,27,28)(H2,25,30,31)/t17-
    ,18-/m0/s1;
    QNYUXDGTIPHQBZ-ROUUACIJSA-N    		 CC(C)CC(C(=O)NC(CCCCN)C(=O)O)NP(=O)(CNC(
    =O)OCc1ccccc1)O; CC(C)C[CH](N[P](O)(=O)C
    NC(=O)OCc1ccccc1)C(=O)N[CH](CCCCN)C(O)=O
    ; CC(C)C[C@H](N[P](O)(=O)CNC(=O)OCc1cccc
    c1)C(=O)N[C@@H](CCCCN)C(O)=O; CC(C)C[C@@
    H](C(=O)N[C@@H](CCCCN)C(=O)O)NP(=O)(CNC(
    =O)OCc1ccccc1)O    		 (2~{S})-6-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]hexanoic acid
    10585 8LC
    ZINC000169538413    		 1 C22 H28 N2 O6 InChI=1S/C22H28N2O6/c25-1
    7-11-7-9-15(19(17)27)21(2
    9)23-13-5-3-1-2-4-6-14-24
    -22(30)16-10-8-12-18(26)2
    0(16)28/h7-12,25-28H,1-6,
    13-14H2,(H,23,29)(H,24,30
    );
    DREKRZFIOMALFJ-UHFFFAOYSA-N    		 Oc1cccc(C(=O)NCCCCCCCCNC(=O)c2cccc(O)c2O
    )c1O; c1cc(c(c(c1)O)O)C(=O)NCCCCCCCCNC(=
    O)c2cccc(c2O)O    		 N,N'-OCTANE-1,8-DIYLBIS(2,3-DIHYDROXYBENZAMIDE)
    10586 8LD 1 C4 H2 O3 InChI=1S/C4H2O3/c5-1-3-7-
    4-2-6/h5-6H;
    QFHUYNIAGZXZMU-UHFFFAOYSA-N    		 C(#COC#CO)O; OC#COC#CO 2,2'-oxydi(ethyn-1-ol)
    10587 8LE 4 C14 H20 N5 O9 P InChI=1S/C14H20N5O9P/c1-1
    4(2,23)13(22)28-29(24,25)
    26-3-6-8(20)9(21)12(27-6)
    19-5-18-7-10(15)16-4-17-1
    1(7)19/h4-6,8-9,12,20-21,
    23H,3H2,1-2H3,(H,24,25)(H
    2,15,16,17)/t6-,8-,9-,12-
    /m1/s1;
    WJCYMTFWIDDQPQ-WOUKDFQISA-N    		 CC(C)(O)C(=O)O[P](O)(=O)OC[C@H]1O[C@H]([
    C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; CC(C)(
    O)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[C
    H]1O)n2cnc3c(N)ncnc23; CC(C)(C(=O)OP(=O)
    (O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O; CC
    (C)(C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([
    C@@H](O1)n2cnc3c2ncnc3N)O)O)O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-methyl-2-oxidanyl-propanoate
    10588 8LF
    CHEMBL4757633    		 2 C21 H15 N O6 S InChI=1S/C21H15NO6S/c1-11
    -6-8-12(9-7-11)29(27,28)2
    2-16-10-15-17(21(26)20(16
    )25)19(24)14-5-3-2-4-13(1
    4)18(15)23/h2-10,22,25-26
    H,1H3;
    VUFVNHBHOYPKGQ-UHFFFAOYSA-N    		 Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(c(c2O)O)C(=O
    )c4ccccc4C3=O; Cc1ccc(cc1)[S](=O)(=O)Nc2
    cc3C(=O)c4ccccc4C(=O)c3c(O)c2O    		 ~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-methyl-benzenesulfonamide
    10589 8LG
    CHEMBL287899
    ZINC000012243851    		 4 C5 H5 N O2 InChI=1S/C5H5NO2/c7-4-2-1
    -3-6-5(4)8/h1-3,7H,(H,6,8
    );
    GGOZGYRTNQBSSA-UHFFFAOYSA-N    		 Oc1cccnc1O; c1cc(c(nc1)O)O pyridine-2,3-diol
    10590 8LH 1 C14 H20 N5 O9 P InChI=1S/C14H20N5O9P/c1-6
    (2-20)14(23)28-29(24,25)2
    6-3-7-9(21)10(22)13(27-7)
    19-5-18-8-11(15)16-4-17-1
    2(8)19/h4-7,9-10,13,20-22
    H,2-3H2,1H3,(H,24,25)(H2,
    15,16,17)/t6-,7-,9-,10-,1
    3-/m1/s1;
    GTYNBQPSEMILMN-KWGHVAAJSA-N    		 C[CH](CO)C(=O)O[P](O)(=O)OC[CH]1O[CH]([C
    H](O)[CH]1O)n2cnc3c(N)ncnc23; C[C@H](CO)
    C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H
    ](O1)n2cnc3c2ncnc3N)O)O; CC(CO)C(=O)OP(=
    O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O; C[
    C@H](CO)C(=O)O[P](O)(=O)OC[C@H]1O[C@H]([
    C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{R})-2-methyl-3-oxidanyl-propanoate
    10591 8LI
    ZINC000103530168    		 0 C9 H11 N O4 S InChI=1S/C9H11NO4S/c1-4(2
    )3-5(11)7-10-6(9(13)15)8(
    12)14-7/h4,13,15H,3H2,1-2
    H3/b9-6-;
    FLVNOAQHCBMATF-TWGQIWQCSA-N    		 O=C1OC(=N\C1=C(/S)O)C(=O)CC(C)C; CC(C)CC
    (=O)C1=N\C(=C(O)/S)C(=O)O1; CC(C)CC(=O)C
    1=N/C(=C(/O)\S)/C(=O)O1; CC(C)CC(=O)C1=N
    C(=C(O)S)C(=O)O1    		 (4Z)-4-[hydroxy(sulfanyl)methylidene]-2-(3-methylbutanoyl)-1,3-oxazol-5(4H)-one
    10592 8LJ 0 C5 H7 N O2 InChI=1S/C5H7NO2/c7-5(8)4
    -2-1-3-6-4/h1,3-4,6H,2H2,
    (H,7,8)/t4-/m0/s1;
    NXOIMAMHRHDCFR-BYPYZUCNSA-N    		 OC(=O)[C@@H]1CC=CN1; C1C=CN[C@@H]1C(=O)O
    ; C1C=CNC1C(=O)O; C(=O)(O)C1NC=CC1; OC(=
    O)[CH]1CC=CN1    		 (2S)-2,3-dihydro-1H-pyrrole-2-carboxylic acid
    10593 8LK
    CHEMBL607859
    ZINC000043771835    		 6 C12 H15 N3 O4 InChI=1S/C12H15N3O4/c1-6-
    2-7-4-15(12(18)14-11(7)13
    -6)10-3-8(17)9(5-16)19-10
    /h2,4,8-10,16-17H,3,5H2,1
    H3,(H,13,14,18)/t8-,9+,10
    +/m0/s1;
    NMRPZKUERWKZCL-IVZWLZJFSA-N    		 CC1=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@
    H](O3)CO)O; CC1=CC2=CN([C@H]3C[C@H](O)[C
    @@H](CO)O3)C(=O)N=C2N1; CC1=CC2=CN([CH]3
    C[CH](O)[CH](CO)O3)C(=O)N=C2N1; CC1=CC2=
    CN(C(=O)N=C2N1)C3CC(C(O3)CO)O    		 Pyrrolo-dC;
    3-[(2R,4S,5R)-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one;
    6-Methyl-3-(beta-D-2-deoxyribofuranosyl)pyrrolo[2,3-d]pyrimidin-2-one;
    N-Pyrrolo-2'-deoxycytidine
    10594 8LL 2 C22 H34 N2 O4 S InChI=1S/C22H34N2O4S/c1-4
    -5-6-7-15-27-17-18-28-16-
    14-23-29(25,26)22-13-9-10
    -19-20(22)11-8-12-21(19)2
    4(2)3/h8-13,23H,4-7,14-18
    H2,1-3H3;
    ZQDZHRAPTBKCCR-UHFFFAOYSA-N    		 CCCCCCOCCOCCNS(=O)(=O)c1cccc2c1cccc2N(C)
    C; CCCCCCOCCOCCN[S](=O)(=O)c1cccc2c(cccc
    12)N(C)C    		 5-(dimethylamino)-~{N}-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide
    10595 8LM 4 C21 H26 N4 O8 InChI=1S/C21H26N4O8/c1-10
    (2)20(30)22-14-17(29)15(1
    9(21(31)32)33-18(14)16(28
    )13(27)9-26)25-8-12(23-24
    -25)11-6-4-3-5-7-11/h3-8,
    10,13-14,16-18,26-29H,9H2
    ,1-2H3,(H,22,30)(H,31,32)
    /t13-,14-,16-,17-,18-/m1/
    s1;
    HLCFXRXMEMQOHX-RTKZEXODSA-N    		 CC(C)C(=O)N[C@@H]1[C@H](C(=C(O[C@H]1[C@@
    H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)c3ccccc
    3)O; CC(C)C(=O)NC1C(C(=C(OC1C(C(CO)O)O)C
    (=O)O)n2cc(nn2)c3ccccc3)O; CC(C)C(=O)N[C
    H]1[CH](O)C(=C(O[CH]1[CH](O)[CH](O)CO)C(
    O)=O)n2cc(nn2)c3ccccc3; CC(C)C(=O)N[C@@H
    ]1[C@@H](O)C(=C(O[C@H]1[C@H](O)[C@H](O)C
    O)C(O)=O)n2cc(nn2)c3ccccc3; C(=O)(NC1C(O
    )C(=C(C(O)=O)OC1C(C(CO)O)O)n3cc(c2ccccc2
    )nn3)C(C)C    		 2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni c acid
    10596 8LN
    CHEMBL3823007
    ZINC000584905497    		 1 C20 H21 Cl N8 InChI=1S/C20H21ClN8/c1-13
    -16(12-29(27-13)14-5-7-22
    -8-6-14)25-20-24-10-15(21
    )19(26-20)17-11-23-18-4-2
    -3-9-28(17)18/h2-4,9-12,1
    4,22H,5-8H2,1H3,(H,24,25,
    26);
    JVFLXTNKVBOVBS-UHFFFAOYSA-N    		 Cc1c(cn(n1)C2CCNCC2)Nc3ncc(c(n3)c4cnc5n4
    cccc5)Cl; Cc1nn(cc1Nc2ncc(Cl)c(n2)c3cnc4
    ccccn34)C5CCNCC5    		 5-chloranyl-4-imidazo[1,2-a]pyridin-3-yl-N-(3-methyl-1-piperidin-4-yl-pyrazol-4-yl)pyrimidin-2-amine
    10597 8LO 1 C17 H27 N3 O3 InChI=1S/C17H27N3O3/c1-5-
    12-8-7-9-13(6-2)15(12)19-
    17(22)18-14(10-11(3)4)16(
    21)20-23/h7-9,11,14,23H,5
    -6,10H2,1-4H3,(H,20,21)(H
    2,18,19,22)/t14-/m1/s1;
    ISOSJSYJSANOPI-CQSZACIVSA-N    		 CCc1cccc(c1NC(=O)N[C@H](CC(C)C)C(=O)NO)C
    C; CCc1cccc(CC)c1NC(=O)N[CH](CC(C)C)C(=O
    )NO; CCc1cccc(c1NC(=O)NC(CC(C)C)C(=O)NO)
    CC; CCc1cccc(CC)c1NC(=O)N[C@H](CC(C)C)C(
    =O)NO    		 (2R)-2-[(2,6-diethylphenyl)carbamoylamino]-4-methyl-N-oxidanyl-pentanamide
    10598 8LP
    CHEMBL4065018    		 1 C27 H23 N3 O3 InChI=1S/C27H23N3O3/c31-2
    6-15-25-22(17-29(26)16-20
    -8-3-1-4-9-20)18-30(27(32
    )28-25)23-12-7-13-24(14-2
    3)33-19-21-10-5-2-6-11-21
    /h1-15,17H,16,18-19H2,(H,
    28,32);
    BHMKGMWMMMZMJN-UHFFFAOYSA-N    		 c1ccc(cc1)CN2C=C3CN(C(=O)NC3=CC2=O)c4ccc
    c(c4)OCc5ccccc5; O=C1NC2=CC(=O)N(Cc3cccc
    c3)C=C2CN1c4cccc(OCc5ccccc5)c4; N5C=2C(=
    CN(Cc1ccccc1)C(C=2)=O)CN(c3cccc(c3)OCc4c
    cccc4)C5=O    		 6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1H,3H)-dione
    10599 8LQ 1 C14 H20 N5 O9 P InChI=1S/C14H20N5O9P/c1-6
    (20)2-8(21)28-29(24,25)26
    -3-7-10(22)11(23)14(27-7)
    19-5-18-9-12(15)16-4-17-1
    3(9)19/h4-7,10-11,14,20,2
    2-23H,2-3H2,1H3,(H,24,25)
    (H2,15,16,17)/t6-,7+,10+,
    11+,14+/m0/s1;
    ZNHASVNGLACCHV-LTOLZBHSSA-N    		 C[C@H](O)CC(=O)O[P](O)(=O)OC[C@H]1O[C@H]
    ([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; C[CH
    ](O)CC(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O
    )[CH]1O)n2cnc3c(N)ncnc23; CC(CC(=O)OP(=O
    )(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O; C
    [C@@H](CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@
    H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (3~{S})-3-oxidanylbutanoate
    10600 8LR
    ZINC000113321194    		 4 C8 H16 O7 InChI=1S/C8H16O7/c9-1-2-1
    4-8-7(13)6(12)5(11)4(3-10
    )15-8/h4-13H,1-3H2/t4-,5-
    ,6+,7+,8+/m1/s1;
    SMORULFPMBCEPX-HEIBUPTGSA-N    		 O(CCO)C1OC(C(O)C(O)C1O)CO; C(COC1C(C(C(C
    (O1)CO)O)O)O)O; OCCO[CH]1O[CH](CO)[CH](O
    )[CH](O)[CH]1O; C(CO[C@@H]1[C@H]([C@H]([
    C@@H]([C@H](O1)CO)O)O)O)O; OCCO[C@H]1O[C
    @H](CO)[C@@H](O)[C@H](O)[C@@H]1O    		 2-hydroxyethyl alpha-D-mannopyranoside;
    2-hydroxyethyl alpha-D-mannoside;
    2-hydroxyethyl D-mannoside;
    2-hydroxyethyl mannoside
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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