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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    39401
    UHN    		 1 C16 H22 N2 O3 S InChI=1S/C16H22N2O3S/c19-
    13-14-3-5-16(6-4-14)22(20
    ,21)18-11-7-15(8-12-18)17
    -9-1-2-10-17/h3-6,13,15H,
    1-2,7-12H2;
    OBIKKFYXQXDQPX-UHFFFAOYSA-N    		 c1cc(ccc1C=O)S(=O)(=O)N2CCC(CC2)N3CCCC3;
    O=Cc1ccc(cc1)[S](=O)(=O)N2CCC(CC2)N3CCC
    C3    		 4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde
    39402
    UHO    		 2 C23 H25 N3 O6 S2 InChI=1S/C23H25N3O6S2/c24
    -33(29,30)21-11-9-18(10-1
    2-21)13-14-26(34(31,32)22
    -7-2-1-3-8-22)17-19-5-4-6
    -20(15-19)25-16-23(27)28/
    h1-12,15,25H,13-14,16-17H
    2,(H,27,28)(H2,24,29,30);
    PXERSONYQKALBK-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(CCN(Cc2cccc(NCC(O)=O)c
    2)[S](=O)(=O)c3ccccc3)cc1; c1ccc(cc1)S(=
    O)(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3cccc(c
    3)NCC(=O)O    		 2-[[3-[[phenylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]methyl]phenyl]amino]ethanoic acid
    39403
    UHP    		 0 C51 H85 N7 O17 InChI=1S/C51H85N7O17/c1-1
    4-38-51(10,67)44(63)31(6)
    55(11)22-27(2)20-49(8,66)
    46(29(4)43(30(5)47(65)73-
    38)74-40-21-50(9,70-13)45
    (64)32(7)72-40)75-48-42(6
    2)37(19-28(3)71-48)56(12)
    23-34-24-57(54-53-34)25-3
    9(60)52-36(26-59)41(61)33
    -15-17-35(18-16-33)58(68)
    69/h15-18,24,27-32,36-38,
    40-46,48,59,61-64,66-67H,
    14,19-23,25-26H2,1-13H3,(
    H,52,60)/t27-,28-,29+,30-
    ,31-,32+,36-,37+,38-,40+,
    41-,42-,43+,44-,45+,46-,4
    8+,49-,50-,51-/m1/s1;
    CFLQVSVZEFCGKJ-DBMBZOQASA-N    		 CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2C
    C(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)
    Cc4cn(nn4)CC(=O)NC(CO)C(c5ccc(cc5)[N+](=
    O)[O-])O)O)(C)O)C)C)C)O)(C)O; CC[C@H]1OC
    (=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[
    C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H
    ]3O[C@H](C)C[C@@H]([C@H]3O)N(C)Cc4cn(CC(
    =O)N[C@H](CO)[C@H](O)c5ccc(cc5)[N+]([O-]
    )=O)nn4)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C
    )[C@@H](O)[C@]1(C)O; CC[CH]1OC(=O)[CH](C
    )[CH](O[CH]2C[C](C)(OC)[CH](O)[CH](C)O2)
    [CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N
    (C)Cc4cn(CC(=O)N[CH](CO)[CH](O)c5ccc(cc5
    )[N+]([O-])=O)nn4)[C](C)(O)C[CH](C)CN(C)
    [CH](C)[CH](O)[C]1(C)O; [O-][N+](=O)c1cc
    c(cc1)C(O)C(CO)NC(=O)Cn1cc(nn1)CN(C)C1CC
    (C)OC(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(
    C)C(=O)OC(CC)C(C)(O)C(O)C(C)N(C)CC(C)CC2
    (C)O)C1O; CC[C@@H]1[C@@]([C@@H]([C@H](N(
    C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H]
    (C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2
    )C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](
    O3)C)N(C)Cc4cn(nn4)CC(=O)N[C@H](CO)[C@@H
    ](c5ccc(cc5)[N+](=O)[O-])O)O)(C)O)C)C)C)
    O)(C)O    		 (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-({3,4,6-trideoxy-3-[{[1-(2-{[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}-2-oxoethyl)-1H-1,2,3-triazol-4-yl]methyl}(methyl)amino]-beta-D-xylo-hexopyranosyl}oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside
    39404
    UHQ    		 1 C14 H20 N2 O3 S InChI=1S/C14H20N2O3S/c1-1
    5(2)13-7-9-16(10-8-13)20(
    18,19)14-5-3-12(11-17)4-6
    -14/h3-6,11,13H,7-10H2,1-
    2H3;
    ULLUZZQSRUXOKA-UHFFFAOYSA-N    		 CN(C)C1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O; C
    N(C)C1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2    		 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde
    39405
    UHR    		 2 C6 H13 N O InChI=1S/C6H13NO/c7-5-6-3
    -1-2-4-8-6/h6H,1-5,7H2/t6
    -/m1/s1;
    NYGCBQKDTGBHSC-ZCFIWIBFSA-N    		 C1CCO[C@H](C1)CN; NC[CH]1CCCCO1; C1CCOC(
    C1)CN; NC[C@H]1CCCCO1    		 [(2R)-oxan-2-yl]methanamine
    39406
    UHS    		 1 C21 H30 N4 O3 InChI=1S/C21H30N4O3/c1-8-
    17(26)25(16-12-15(28-24-1
    6)20(2,3)4)18(14-10-9-11-
    22-13-14)19(27)23-21(5,6)
    7/h9-13,18H,8H2,1-7H3,(H,
    23,27)/t18-/m1/s1;
    BFKJCDNTNNMOGO-GOSISDBHSA-N    		 CCC(=O)N([C@@H](C(=O)NC(C)(C)C)c1cccnc1)
    c2cc(on2)C(C)(C)C; CCC(=O)N([CH](C(=O)NC
    (C)(C)C)c1cccnc1)c2cc(on2)C(C)(C)C; CCC(
    =O)N(c1cc(on1)C(C)(C)C)[C@H](c2cccnc2)C(
    =O)NC(C)(C)C; N(C(C)(C)C)C(=O)C(N(c1noc(
    C(C)(C)C)c1)C(=O)CC)c2cnccc2; CCC(=O)N(c
    1cc(on1)C(C)(C)C)C(c2cccnc2)C(=O)NC(C)(C
    )C    		 N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide
    39407
    UHT    		 1 C14 H19 N O3 S InChI=1S/C14H19NO3S/c1-15
    (13-5-3-2-4-6-13)19(17,18
    )14-9-7-12(11-16)8-10-14/
    h7-11,13H,2-6H2,1H3;
    WNAONUSEYNPQAW-UHFFFAOYSA-N    		 CN(C1CCCCC1)S(=O)(=O)c2ccc(cc2)C=O; CN(C
    1CCCCC1)[S](=O)(=O)c2ccc(C=O)cc2    		 ~{N}-cyclohexyl-4-methanoyl-~{N}-methyl-benzenesulfonamide
    39408
    UHU    		 1 C6 H11 N O3 InChI=1S/C6H11NO3/c8-1-2-
    3-4(7-3)6(10)5(2)9/h2-10H
    ,1H2/t2-,3+,4+,5+,6+/m1/s
    1;
    SXRBQPPVANNBHT-URLGYRAOSA-N    		 C([C@@H]1[C@H]2[C@H](N2)[C@@H]([C@H]1O)O
    )O; OC[CH]1[CH](O)[CH](O)[CH]2N[CH]12; O
    C[C@H]1[C@H](O)[C@@H](O)[C@H]2N[C@@H]12;
    C(C1C2C(N2)C(C1O)O)O    		 (1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol
    39409
    UHV    		 2 C25 H30 N4 O4 InChI=1S/C25H30N4O4/c1-7-
    22(30)29(21-14-20(33-28-2
    1)25(3,4)5)23(17-9-8-12-2
    6-15-17)24(31)27-19-11-10
    -18(32-6)13-16(19)2/h8-15
    ,23H,7H2,1-6H3,(H,27,31)/
    t23-/m1/s1;
    UCJCNZJAAQBBMU-HSZRJFAPSA-N    		 CCC(=O)N([CH](C(=O)Nc1ccc(OC)cc1C)c2cccn
    c2)c3cc(on3)C(C)(C)C; N(c1c(cc(cc1)OC)C)
    C(=O)C(c2cccnc2)N(c3noc(c3)C(C)(C)C)C(=O
    )CC; CCC(=O)N(c1cc(on1)C(C)(C)C)[C@H](c2
    cccnc2)C(=O)Nc3ccc(cc3C)OC; CCC(=O)N([C@
    @H](C(=O)Nc1ccc(OC)cc1C)c2cccnc2)c3cc(on
    3)C(C)(C)C; CCC(=O)N(c1cc(on1)C(C)(C)C)C
    (c2cccnc2)C(=O)Nc3ccc(cc3C)OC    		 N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
    39410
    UHW
    ZINC000072206381    		 1 C12 H16 N2 O3 S InChI=1S/C12H16N2O3S/c1-1
    3-6-8-14(9-7-13)18(16,17)
    12-4-2-11(10-15)3-5-12/h2
    -5,10H,6-9H2,1H3;
    YIEAFXUNUVTOQC-UHFFFAOYSA-N    		 CN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2; CN1
    CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O    		 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde
    39411
    UHX
    CHEMBL3318911
    ZINC000222801218    		 4 C19 H16 F N5 O InChI=1S/C19H16FN5O/c1-26
    -13-8-4-10(5-9-13)14-15-1
    7(21)24-19(22)25-18(15)23
    -16(14)11-2-6-12(20)7-3-1
    1/h2-9H,1H3,(H5,21,22,23,
    24,25);
    MTCWKPIXTKCOED-UHFFFAOYSA-N    		 COc1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)
    F)N)N; COc1ccc(cc1)c2c([nH]c3nc(N)nc(N)c
    23)c4ccc(F)cc4; Fc4ccc(c2c(c1c(nc(nc1n2)
    N)N)c3ccc(OC)cc3)cc4    		 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
    39412
    UHY    		 1 C27 H32 N4 O2 InChI=1S/C27H32N4O2/c1-6-
    20-11-8-10-19(5)25(20)30-
    27(33)26(21-12-9-15-28-16
    -21)31(24(32)7-2)22-13-14
    -23(18(3)4)29-17-22/h8-18
    ,26H,6-7H2,1-5H3,(H,30,33
    )/t26-/m1/s1;
    HPKVUDPRFZVZGF-AREMUKBSSA-N    		 CCc1cccc(c1NC(=O)[C@@H](c2cccnc2)N(c3ccc
    (nc3)C(C)C)C(=O)CC)C; CCc1cccc(c1NC(=O)C
    (c2cccnc2)N(c3ccc(nc3)C(C)C)C(=O)CC)C; C
    CC(=O)N([C@@H](C(=O)Nc1c(C)cccc1CC)c2ccc
    nc2)c3ccc(nc3)C(C)C; CCC(=O)N([CH](C(=O)
    Nc1c(C)cccc1CC)c2cccnc2)c3ccc(nc3)C(C)C;
    N(c1c(cccc1C)CC)C(=O)C(N(c2cnc(C(C)C)cc
    2)C(CC)=O)c3cnccc3    		 N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-N-[6-(propan-2-yl)pyridin-3-yl]propanamide
    39413
    UHZ    		 1 C8 H7 N O6 S InChI=1S/C8H7NO6S/c1-16(1
    3,14)15-8-4-6(5-10)2-3-7(
    8)9(11)12/h2-5H,1H3;
    RCBIWLRDSYSENV-UHFFFAOYSA-N    		 CS(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O; C[
    S](=O)(=O)Oc1cc(C=O)ccc1[N+]([O-])=O    		 (5-methanoyl-2-nitro-phenyl) methanesulfonate
    39414
    UI0    		 0 C40 H46 F N5 O8 InChI=1S/C40H46FN5O8/c1-4
    -9-27-14-15-35(48)42-16-7
    -10-25(2)18-31(47)20-30(4
    1)21-36-44-32(24-52-36)38
    (49)46-17-8-13-33(46)39(5
    0)54-37(27)26(3)23-53-40(
    51)45-34-19-28-11-5-6-12-
    29(28)22-43-34/h4-7,10-12
    ,14-15,18-19,22,24,26-27,
    30-31,33,37,47H,1,8-9,13,
    16-17,20-21,23H2,2-3H3,(H
    ,42,48)(H,43,45,51)/b10-7
    +,15-14+,25-18+/t26-,27-,
    30-,31-,33-,37-/m1/s1;
    DSEOAUQIAHJNDH-LTEKMTOYSA-N    		 C[C@H](COC(=O)Nc1cc2ccccc2cn1)[C@H]3OC(=
    O)[C@H]4CCCN4C(=O)c5coc(C[C@H](F)C[C@H](
    O)/C=C(C)/C=C/CNC(=O)/C=C/[C@H]3CC=C)n5;
    CC1=CC(CC(Cc2nc(co2)C(=O)N3CCCC3C(=O)OC
    (C(C=CC(=O)NCC=C1)CC=C)C(C)COC(=O)Nc4cc5
    ccccc5cn4)F)O; CC(COC(=O)Nc1cc2ccccc2cn1
    )C1OC(=O)C2CCCN2C(=O)c2nc(oc2)CC(F)CC(O)
    C=C(C)C=CCNC(=O)C=CC1CC=C; C[CH](COC(=O)
    Nc1cc2ccccc2cn1)[CH]3OC(=O)[CH]4CCCN4C(=
    O)c5coc(C[CH](F)C[CH](O)C=C(C)C=CCNC(=O)
    C=C[CH]3CC=C)n5; C/C/1=C\[C@H](C[C@H](Cc
    2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]([C
    @@H](/C=C/C(=O)NC\C=C1)CC=C)[C@H](C)COC(
    =O)Nc4cc5ccccc5cn4)F)O    		 (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-4-(prop-2-en-1-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
    39415
    UI1
    CHEMBL104166
    DB03082
    ZINC000005940890    		 1 C23 H21 N7 O InChI=1S/C23H21N7O/c24-13
    -14-2-6-18(7-3-14)29-22(3
    1)17-10-15-4-5-16(21(25)2
    6)11-19(15)20(12-17)30-23
    -27-8-1-9-28-23/h1-12H,13
    ,24H2,(H3,25,26)(H,29,31)
    (H,27,28,30);
    CSWQJKHBMACTGB-UHFFFAOYSA-N    		 c1cnc(nc1)Nc2cc(cc3c2cc(cc3)C(=N)N)C(=O)
    Nc4ccc(cc4)CN; NCc1ccc(NC(=O)c2cc(Nc3ncc
    cn3)c4cc(ccc4c2)C(N)=N)cc1; NCc1ccc(cc1)
    NC(=O)c1cc(Nc2ncccn2)c2cc(ccc2c1)C(=N)N    		 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-4-(PYRIMIDIN-2-YLAMINO)-2-NAPHTHAMIDE
    39416
    UI2
    CHEMBL103043
    DB04059
    ZINC000005933825    		 1 C15 H13 N5 InChI=1S/C15H13N5/c16-14(
    17)11-6-5-10-3-1-4-13(12(
    10)9-11)20-15-18-7-2-8-19
    -15/h1-9H,(H3,16,17)(H,18
    ,19,20);
    GRQLDCHTDNYVQI-UHFFFAOYSA-N    		 c1cc2ccc(cc2c(c1)Nc3ncccn3)C(=N)N; NC(=N
    )c1ccc2cccc(Nc3ncccn3)c2c1; n1cccnc1Nc2c
    ccc3c2cc(C(=[N@H])N)cc3    		 8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2-CARBOXIMIDAMIDE
    39417
    UI3
    CHEMBL321944
    DB03046
    ZINC000012503001    		 2 C16 H16 N4 O3 S InChI=1S/C16H16N4O3S/c1-2
    3-14-6-5-10-3-4-11(16(17)
    18)7-13(10)15(14)12-8-19-
    20(9-12)24(2,21)22/h3-9H,
    1-2H3,(H3,17,18);
    KQUXAFOLFXHVQN-UHFFFAOYSA-N    		 COc1ccc2ccc(cc2c1c3cnn(c3)[S](C)(=O)=O)C
    (N)=N; O=S(=O)(n3ncc(c1c(OC)ccc2c1cc(C(=
    [N@H])N)cc2)c3)C; [H]/N=C(/c1ccc2ccc(c(c
    2c1)c3cnn(c3)S(=O)(=O)C)OC)\N; [H]N=C(c1
    ccc2ccc(c(c2c1)c3cnn(c3)S(=O)(=O)C)OC)N    		 7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NAPHTHALENE-2-CARBOXIMIDAMIDE
    39418
    UI4    		 6 C11 H9 N O InChI=1S/C11H9NO/c13-10-6
    -4-9(5-7-10)11-3-1-2-8-12
    -11/h1-8,13H;
    VQHMPVXKDCHHSR-UHFFFAOYSA-N    		 Oc1ccc(cc1)c2ccccn2; c1ccnc(c1)c2ccc(cc2
    )O    		 4-pyridin-2-ylphenol
    39419
    UI5    		 2 C6 H13 N O3 InChI=1S/C6H13NO3/c7-4-1-
    5(9)6(10)3(4)2-8/h3-6,8-1
    0H,1-2,7H2/t3-,4-,5+,6+/m
    1/s1;
    XJKPQBOZNVQXOP-ZXXMMSQZSA-N    		 C1C(C(C(C1O)O)CO)N; N[CH]1C[CH](O)[CH](O
    )[CH]1CO; N[C@@H]1C[C@H](O)[C@@H](O)[C@@
    H]1CO; C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO
    )N    		 (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol
    39420
    UI6    		 0 C56 H86 F N9 O15 InChI=1S/C56H86FN9O15/c1-
    15-42-56(10,74)47(69)33(6
    )63(11)26-29(2)22-54(8,73
    )49(31(4)46(32(5)51(71)79
    -42)80-44-23-55(9,75-14)4
    8(70)34(7)77-44)81-52-45(
    68)41(20-30(3)76-52)64(12
    )28-43(67)59-25-37-27-66(
    53(72)78-37)36-17-18-38(3
    9(57)21-36)35-16-19-40(58
    -24-35)50-60-62-65(13)61-
    50/h16-19,21,24,29-34,37,
    41-42,44-49,52,68-70,73-7
    4H,15,20,22-23,25-28H2,1-
    14H3,(H,59,67)/t29-,30-,3
    1+,32-,33-,34+,37+,41+,42
    -,44+,45-,46+,47-,48+,49-
    ,52+,54-,55-,56-/m1/s1;
    CCCPNDPSMZJBSW-DALIEQGVSA-N    		 CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2C
    C(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)
    CC(=O)NCC4CN(C(=O)O4)c5ccc(c(c5)F)c6ccc(
    nc6)c7nnn(n7)C)O)(C)O)C)C)C)O)(C)O; CC[C
    H]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)[C
    H](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH](C
    )C[CH]([CH]3O)N(C)CC(=O)NC[CH]4CN(C(=O)O
    4)c5ccc(c(F)c5)c6ccc(nc6)c7nnn(C)n7)[C](
    C)(O)C[CH](C)CN(C)[CH](C)[CH](O)[C]1(C)O
    ; CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[
    C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[
    C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N
    (C)CC(=O)NC[C@H]4CN(C(=O)O4)c5ccc(c(F)c5
    )c6ccc(nc6)c7nnn(C)n7)[C@](C)(O)C[C@@H](
    C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O; CC[C@
    @H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@](
    [C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@
    H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[
    C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)CC(=O)
    NC[C@H]4CN(C(=O)O4)c5ccc(c(c5)F)c6ccc(nc
    6)c7nnn(n7)C)O)(C)O)C)C)C)O)(C)O; Cn1nc(
    nn1)c1ccc(cn1)c1ccc(cc1F)N1CC(OC1=O)CNC(
    =O)CN(C)C1CC(C)OC(OC2C(C)C(OC3CC(C)(OC)C
    (O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)
    N(C)CC(C)CC2(C)O)C1O    		 2-{[(2S,3R,4S,6R)-2-{[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl]oxy}-3-hydroxy-6-methyloxan-4-yl](methyl)amino}-N-{[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide (non-preferred name)
    39421
    UI7    		 9 C9 H11 N O2 InChI=1S/C9H11NO2/c1-7(12
    )10-9-4-2-3-8(5-9)6-11/h2
    -5,11H,6H2,1H3,(H,10,12);
    WIXYDGUCWPQDPW-UHFFFAOYSA-N    		 CC(=O)Nc1cccc(c1)CO; CC(=O)Nc1cccc(CO)c1 N-[3-(hydroxymethyl)phenyl]ethanamide
    39422
    UI9    		 0 C19 H17 Cl F N7 O3 InChI=1S/C19H17ClFN7O3/c1
    -27-25-18(24-26-27)16-5-2
    -11(8-22-16)14-4-3-12(6-1
    5(14)21)28-10-13(31-19(28
    )30)9-23-17(29)7-20/h2-6,
    8,13H,7,9-10H2,1H3,(H,23,
    29)/t13-/m0/s1;
    VVZVMIYJLRPJQL-ZDUSSCGKSA-N    		 Cn1nc(nn1)c2ccc(cn2)c3ccc(cc3F)N4CC(OC4=
    O)CNC(=O)CCl; Cn1nnc(n1)c2ccc(cn2)c3ccc(
    cc3F)N4C[C@H](CNC(=O)CCl)OC4=O; Cn1nc(nn
    1)c2ccc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)C
    NC(=O)CCl; Cn1nnc(n1)c2ccc(cn2)c3ccc(cc3
    F)N4C[CH](CNC(=O)CCl)OC4=O; O=C(NCC1CN(C
    (=O)O1)c1ccc(c2ccc(nc2)c2nn(C)nn2)c(F)c1
    )CCl    		 2-chloro-N-{[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
    39423
    UIA    		 0 C4 H10 N2 O2 InChI=1S/C4H10N2O2/c1-3(2
    -5)6-4(7)8/h3,6H,2,5H2,1H
    3,(H,7,8)/t3-/m1/s1;
    ZHWWPRBSUHITHG-GSVOUGTGSA-N    		 CC(CN)NC(=O)O; C[C@H](CN)NC(=O)O; C[C@H]
    (CN)NC(O)=O; C[CH](CN)NC(O)=O    		 [(2~{R})-1-azanylpropan-2-yl]carbamic acid
    39424
    UIB
    ZINC000003832147    		 2 C26 H32 N4 O3 InChI=1S/C26H32N4O3/c1-5-
    18-22-21(25(31)30(18)13-1
    5-6-11-19-20(12-15)33-14-
    32-19)23(29(4)26(22,2)3)1
    6-7-9-17(10-8-16)24(27)28
    /h6-12,18,21-23H,5,13-14H
    2,1-4H3,(H3,27,28)/t18-,2
    1+,22-,23+/m1/s1;
    HQVPEQYGMUJQHM-MSYGRNIXSA-N    		 CC[C@@H]1[C@@H]2[C@@H]([C@@H]([N@](C2(C)
    C)C)c3ccc(cc3)C(=N)N)C(=O)N1Cc4ccc5c(c4)
    OCO5; CCC1C2C(C(N(C2(C)C)C)c3ccc(cc3)C(=
    N)N)C(=O)N1Cc4ccc5c(c4)OCO5; CC[CH]1[CH]
    2[CH]([CH](N(C)C2(C)C)c3ccc(cc3)C(N)=N)C
    (=O)N1Cc4ccc5OCOc5c4; CC[C@@H]1[C@@H]2[C
    @@H]([C@@H](N(C)C2(C)C)c3ccc(cc3)C(N)=N)
    C(=O)N1Cc4ccc5OCOc5c4; O=C1N(C(CC)C3C1C(
    c2ccc(C(=[N@H])N)cc2)N(C)C3(C)C)Cc4ccc5O
    COc5c4    		 (1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL-5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL-6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL-1-YL}-BENZAMIDINE
    39425
    UIC    		 0 C29 H40 N2 O7 S InChI=1/C29H40N2O7S/c1-20
    (2)17-31(39(35,36)25-10-8
    -22(19-32)9-11-25)18-27(3
    3)26(14-21-6-4-3-5-7-21)3
    0-29(34)38-24-15-23-12-13
    -37-28(23)16-24/h3-11,20,
    23-24,26-28,32-33H,12-19H
    2,1-2H3,(H,30,34)/t23-,24
    +,26-,27+,28+/m0/s1/f/h30
    H;
    VYBDPVQMILRSMK-OOSHRCTGDC    		 CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[C
    H]2C[CH]3CCO[CH]3C2)[S](=O)(=O)c4ccc(CO)
    cc4; CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)N
    C(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)[S](=O
    )(=O)c4ccc(CO)cc4; CC(C)CN(C[C@H]([C@H](
    Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H
    ]3C2)O)S(=O)(=O)c4ccc(cc4)CO; O=S(=O)(c1
    ccc(cc1)CO)N(CC(C)C)CC(O)C(NC(=O)OC3CC2C
    (OCC2)C3)Cc4ccccc4; CC(C)CN(CC(C(Cc1cccc
    c1)NC(=O)OC2CC3CCOC3C2)O)S(=O)(=O)c4ccc(
    cc4)CO    		 (3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL {(1S,2R)-1-BENZYL-2-HYDROXY-3-[{[4-(HYDROXYMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]PROPYL}CARBAMATE
    39426
    UID    		 6 C11 H13 N O2 InChI=1S/C11H13NO2/c1-2-1
    4-11(13)8-5-9-3-6-10(12)7
    -4-9/h3-8H,2,12H2,1H3/b8-
    5+;
    NRPMBSHHBFFYBF-VMPITWQZSA-N    		 CCOC(=O)C=Cc1ccc(cc1)N; CCOC(=O)/C=C/c1c
    cc(cc1)N; CCOC(=O)C=Cc1ccc(N)cc1; CCOC(=
    O)\C=C\c1ccc(N)cc1    		 ethyl (E)-3-(4-aminophenyl)prop-2-enoate
    39427
    UIE    		 1 C22 H23 N3 O6 S2 InChI=1S/C22H23N3O6S2/c23
    -32(28,29)20-11-9-17(10-1
    2-20)15-25(33(30,31)21-7-
    2-1-3-8-21)16-18-5-4-6-19
    (13-18)24-14-22(26)27/h1-
    13,24H,14-16H2,(H,26,27)(
    H2,23,28,29);
    BFBINAWAQBYZMQ-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(CN(Cc2cccc(NCC(O)=O)c2
    )[S](=O)(=O)c3ccccc3)cc1; c1ccc(cc1)S(=O
    )(=O)N(Cc2ccc(cc2)S(=O)(=O)N)Cc3cccc(c3)
    NCC(=O)O    		 2-[[3-[[phenylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid
    39428
    UIF    		 0 C40 H39 F N8 O8 InChI=1S/C40H39FN8O8/c1-2
    4-18-33(35(56-37(51)25-10
    -6-4-7-11-25)39(54-24)57-
    38(52)26-12-8-5-9-13-26)4
    7(2)23-34(50)43-21-29-22-
    49(40(53)55-29)28-15-16-3
    0(31(41)19-28)27-14-17-32
    (42-20-27)36-44-46-48(3)4
    5-36/h4-17,19-20,24,29,33
    ,35,39H,18,21-23H2,1-3H3,
    (H,43,50)/t24?,29-,33?,35
    ?,39?/m0/s1;
    JILVZTUUGIPBMT-XQRKQDBVSA-N    		 CC1CC(C(OC(=O)c2ccccc2)C(O1)OC(=O)c3cccc
    c3)N(C)CC(=O)NC[C@H]4CN(C(=O)O4)c5ccc(c(
    F)c5)c6ccc(nc6)c7nnn(C)n7; CC1CC(C(C(O1)
    OC(=O)c2ccccc2)OC(=O)c3ccccc3)N(C)CC(=O)
    NCC4CN(C(=O)O4)c5ccc(c(c5)F)c6ccc(nc6)c7
    nnn(n7)C; C[C@@H]1C[C@H]([C@@H]([C@@H](O
    1)OC(=O)c2ccccc2)OC(=O)c3ccccc3)N(C)CC(=
    O)NC[C@H]4CN(C(=O)O4)c5ccc(c(c5)F)c6ccc(
    nc6)c7nnn(n7)C; CC1CC(C(OC(=O)c2ccccc2)C
    (O1)OC(=O)c3ccccc3)N(C)CC(=O)NC[CH]4CN(C
    (=O)O4)c5ccc(c(F)c5)c6ccc(nc6)c7nnn(C)n7
    ; O=C(OC1OC(C)CC(C1OC(=O)c1ccccc1)N(C)CC
    (=O)NCC1CN(c2ccc(c3ccc(nc3)c3nn(C)nn3)c(
    F)c2)C(=O)O1)c1ccccc1    		 [(2~{S},3~{S},4~{R},6~{R})-4-[[2-[[(5~{S})-3-[3-fluoranyl-4-[6-(2-methyl-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methylamino]-2-oxidanylidene-ethyl]-methyl-amino]-6-methyl-2-(phenylcarbonyloxy)oxan-3-yl] benzoate
    39429
    UIH
    CHEMBL3318913
    ZINC000222801393    		 4 C18 H14 Br N5 InChI=1S/C18H14BrN5/c19-1
    2-8-6-11(7-9-12)15-13(10-
    4-2-1-3-5-10)14-16(20)23-
    18(21)24-17(14)22-15/h1-9
    H,(H5,20,21,22,23,24);
    BIHWLSDQBFEANX-UHFFFAOYSA-N    		 Brc4ccc(c2c(c1c(nc(nc1n2)N)N)c3ccccc3)cc
    4; Nc1nc(N)c2c([nH]c(c3ccc(Br)cc3)c2c4cc
    ccc4)n1; c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4c
    cc(cc4)Br)N)N    		 6-(4-bromophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
    39430
    UII    		 1 C17 H21 N3 O6 S2 InChI=1S/C17H21N3O6S2/c1-
    27(23,24)20(11-13-5-7-16(
    8-6-13)28(18,25)26)12-14-
    3-2-4-15(9-14)19-10-17(21
    )22/h2-9,19H,10-12H2,1H3,
    (H,21,22)(H2,18,25,26);
    IWLMYDRUZFJVAL-UHFFFAOYSA-N    		 CS(=O)(=O)N(Cc1ccc(cc1)S(=O)(=O)N)Cc2ccc
    c(c2)NCC(=O)O; C[S](=O)(=O)N(Cc1ccc(cc1)
    [S](N)(=O)=O)Cc2cccc(NCC(O)=O)c2    		 2-[[3-[[methylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid
    39431
    UIJ    		 2 C21 H31 N5 O7 InChI=1S/C21H31N5O7/c1-13
    -23-21(24-33-13)14-6-7-15
    (16(10-14)26(31)32)22-8-4
    -2-3-5-9-25-11-18(28)20(3
    0)19(29)17(25)12-27/h6-7,
    10,17-20,22,27-30H,2-5,8-
    9,11-12H2,1H3/t17-,18+,19
    -,20-/m1/s1;
    SXCQSQXLSZADIS-IYWMVGAKSA-N    		 Cc1nc(no1)c2ccc(c(c2)[N+](=O)[O-])NCCCCC
    CN3C[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O;
    OCC1C(O)C(O)C(O)CN1CCCCCCNc1ccc(cc1[N+](
    [O-])=O)c1nc(C)on1; Cc1nc(no1)c2ccc(c(c2
    )[N+](=O)[O-])NCCCCCCN3CC(C(C(C3CO)O)O)O
    ; Cc1onc(n1)c2ccc(NCCCCCCN3C[C@H](O)[C@@
    H](O)[C@H](O)[C@H]3CO)c(c2)[N+]([O-])=O;
    Cc1onc(n1)c2ccc(NCCCCCCN3C[CH](O)[CH](O
    )[CH](O)[CH]3CO)c(c2)[N+]([O-])=O    		 (2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{[(4P)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}hexyl)piperidine-3,4,5-triol
    39432
    UIK    		 1 C22 H22 N4 O InChI=1S/C22H22N4O/c1-15-
    4-3-5-17(10-15)12-26(2)22
    -19-11-20(25-21(19)23-14-
    24-22)18-8-6-16(13-27)7-9
    -18/h3-11,14,27H,12-13H2,
    1-2H3,(H,23,24,25);
    KXUSCHVJJBSONI-UHFFFAOYSA-N    		 Cc1cccc(c1)CN(C)c2c3cc([nH]c3ncn2)c4ccc(
    cc4)CO; CN(Cc1cccc(C)c1)c2ncnc3[nH]c(cc2
    3)c4ccc(CO)cc4    		 [4-[4-[methyl-[(3-methylphenyl)methyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol
    39433
    UIL    		 0 C7 H16 N2 O2 InChI=1S/C7H16N2O2/c1-5(2
    )3-6(4-8)9-7(10)11/h5-6,9
    H,3-4,8H2,1-2H3,(H,10,11)
    /t6-/m1/s1;
    RJJBFDBMVBMWRB-ZCFIWIBFSA-N    		 CC(C)C[C@H](CN)NC(O)=O; CC(C)C[C@H](CN)N
    C(=O)O; CC(C)C[CH](CN)NC(O)=O; CC(C)CC(C
    N)NC(=O)O    		 [(2~{R})-1-azanyl-4-methyl-pentan-2-yl]carbamic acid
    39434
    UIM    		 2 C28 H27 N7 O2 InChI=1S/C28H27N7O2/c1-16
    (2)27(36)34-20-9-5-19(6-1
    0-20)24-22(23-25(29)31-15
    -32-26(23)35(24)4)18-7-11
    -21(12-8-18)37-28-30-14-1
    3-17(3)33-28/h5-16H,1-4H3
    ,(H,34,36)(H2,29,31,32);
    PJTFDPCWAHARFB-UHFFFAOYSA-N    		 CC(C)C(=O)Nc1ccc(cc1)c1c(c2c(N)ncnc2n1C)
    c1ccc(Oc2nc(C)ccn2)cc1; Cc1ccnc(n1)Oc2cc
    c(cc2)c3c4c(ncnc4n(c3c5ccc(cc5)NC(=O)C(C
    )C)C)N; CC(C)C(=O)Nc1ccc(cc1)c2n(C)c3ncn
    c(N)c3c2c4ccc(Oc5nccc(C)n5)cc4    		 N-[4-(4-amino-7-methyl-5-{4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylpropanamide
    39435
    UIN
    DB08686
    ZINC000013741431    		 2 C20 H24 O3 InChI=1S/C20H24O3/c1-2-15
    (14-10-6-5-7-11-14)18-19(
    21)16-12-8-3-4-9-13-17(16
    )23-20(18)22/h5-7,10-11,1
    5,21H,2-4,8-9,12-13H2,1H3
    /t15-/m0/s1;
    UXCLJNSXDNCIIT-HNNXBMFYSA-N    		 CC[C@@H](c1ccccc1)C2=C(O)C3=C(CCCCCC3)OC
    2=O; O=C1OC3=C(C(O)=C1C(c2ccccc2)CC)CCCC
    CC3; CCC(c1ccccc1)C2=C(C3=C(CCCCCC3)OC2=
    O)O; CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCCC3
    )OC2=O)O; CC[CH](c1ccccc1)C2=C(O)C3=C(CC
    CCCC3)OC2=O    		 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-2-ONE
    39436
    UIO    		 2 C26 H38 N6 O7 InChI=1S/C26H38N6O7/c33-1
    7-22-24(35)25(36)23(34)16
    -31(22)10-4-2-1-3-8-27-20
    -6-5-18(15-21(20)32(37)38
    )19-7-9-28-26(29-19)30-11
    -13-39-14-12-30/h5-7,9,15
    ,22-25,27,33-36H,1-4,8,10
    -14,16-17H2/t22-,23+,24-,
    25-/m1/s1;
    IKJZFVDMSJZYQQ-ZFFYZDHPSA-N    		 c1cc(c(cc1c2ccnc(n2)N3CCOCC3)[N+](=O)[O-
    ])NCCCCCCN4CC(C(C(C4CO)O)O)O; c1cc(c(cc1
    c2ccnc(n2)N3CCOCC3)[N+](=O)[O-])NCCCCCCN
    4C[C@@H]([C@H]([C@@H]([C@H]4CO)O)O)O; OC
    [C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCC
    CCNc2ccc(cc2[N+]([O-])=O)c3ccnc(n3)N4CCO
    CC4; OCC1C(O)C(O)C(O)CN1CCCCCCNc1ccc(cc1
    [N+]([O-])=O)c1nc(ncc1)N1CCOCC1; OC[CH]1
    [CH](O)[CH](O)[CH](O)CN1CCCCCCNc2ccc(cc2
    [N+]([O-])=O)c3ccnc(n3)N4CCOCC4    		 (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-({(4M)-4-[2-(morpholin-4-yl)pyrimidin-4-yl]-2-nitrophenyl}amino)hexyl]piperidine-3,4,5-triol
    39437
    UIP
    ZINC000003832151    		 2 C26 H30 N4 O3 InChI=1S/C26H30N4O3/c1-2-
    18-22-19-4-3-11-29(19)24(
    16-6-8-17(9-7-16)25(27)28
    )23(22)26(31)30(18)13-15-
    5-10-20-21(12-15)33-14-32
    -20/h5-10,12,18-19,22-24H
    ,2-4,11,13-14H2,1H3,(H3,2
    7,28)/t18-,19+,22+,23+,24
    +/m1/s1;
    RCAUWWFTOCHSJH-KEXZDOINSA-N    		 CCC1C2C3CCCN3C(C2C(=O)N1Cc4ccc5c(c4)OCO5
    )c6ccc(cc6)C(=N)N; CC[CH]1[CH]2[CH]3CCCN
    3[CH]([CH]2C(=O)N1Cc4ccc5OCOc5c4)c6ccc(c
    c6)C(N)=N; CC[C@@H]1[C@H]2[C@@H]3CCCN3[C
    @H]([C@H]2C(=O)N1Cc4ccc5OCOc5c4)c6ccc(cc
    6)C(N)=N; CC[C@@H]1[C@H]2[C@@H]3CCC[N@@]
    3[C@H]([C@H]2C(=O)N1Cc4ccc5c(c4)OCO5)c6c
    cc(cc6)C(=N)N; O=C1N(C(CC)C4C1C(c2ccc(C(
    =[N@H])N)cc2)N3CCCC34)Cc5ccc6OCOc6c5    		 (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE
    39438
    UIQ
    ZINC000033836603    		 1 C27 H32 N4 O3 InChI=1S/C27H32N4O3/c1-15
    (2)24-22-19-4-3-11-30(19)
    25(17-6-8-18(9-7-17)26(28
    )29)23(22)27(32)31(24)13-
    16-5-10-20-21(12-16)34-14
    -33-20/h5-10,12,15,19,22-
    25H,3-4,11,13-14H2,1-2H3,
    (H3,28,29)/t19-,22-,23-,2
    4+,25-/m0/s1;
    TZROHICTGLJYJF-FTSNLURZSA-N    		 [H]/N=C(/c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C
    @H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc6c(c5)
    OCO6)C(C)C)\N; [H]N=C(c1ccc(cc1)C2C3C(C4
    N2CCC4)C(N(C3=O)Cc5ccc6c(c5)OCO6)C(C)C)N
    ; CC(C)[CH]1[CH]2[CH]3CCCN3[CH]([CH]2C(=
    O)N1Cc4ccc5OCOc5c4)c6ccc(cc6)C(N)=N; CC(
    C)[C@@H]1[C@H]2[C@@H]3CCCN3[C@H]([C@H]2C
    (=O)N1Cc4ccc5OCOc5c4)c6ccc(cc6)C(N)=N; O
    =C1N(C(C(C)C)C4C1C(c2ccc(C(=[N@H])N)cc2)
    N3CCCC34)Cc5ccc6OCOc6c5    		 (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ISOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE
    39439
    UIR
    ZINC000003832149    		 3 C27 H30 N4 O3 InChI=1S/C27H30N4O3/c28-2
    6(29)18-8-6-17(7-9-18)25-
    23-22(19-2-1-11-30(19)25)
    24(16-4-5-16)31(27(23)32)
    13-15-3-10-20-21(12-15)34
    -14-33-20/h3,6-10,12,16,1
    9,22-25H,1-2,4-5,11,13-14
    H2,(H3,28,29)/t19-,22-,23
    -,24+,25-/m0/s1;
    XYMBMAVAMICSMV-FTSNLURZSA-N    		 c1cc(ccc1[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2
    CCC4)[C@H](N(C3=O)Cc5ccc6c(c5)OCO6)C7CC7
    )C(=N)N; c1cc(ccc1C2C3C(C4N2CCC4)C(N(C3=
    O)Cc5ccc6c(c5)OCO6)C7CC7)C(=N)N; O=C2N(C
    (C1CC1)C5C2C(c3ccc(C(=[N@H])N)cc3)N4CCCC
    45)Cc6ccc7OCOc7c6; NC(=N)c1ccc(cc1)[CH]2
    [CH]3[CH]([CH]4CCCN24)[CH](C5CC5)N(Cc6cc
    c7OCOc7c6)C3=O; NC(=N)c1ccc(cc1)[C@H]2[C
    @@H]3[C@H]([C@@H]4CCCN24)[C@@H](C5CC5)N(
    Cc6ccc7OCOc7c6)C3=O    		 (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE
    39440
    UIS    		 5 C12 H18 N2 O InChI=1S/C12H18N2O/c1-4-1
    4(5-2)12-8-6-7-11(9-12)13
    -10(3)15/h6-9H,4-5H2,1-3H
    3,(H,13,15);
    FPUKYOSOAAPHTN-UHFFFAOYSA-N    		 CCN(CC)c1cccc(c1)NC(=O)C; CCN(CC)c1cccc(
    NC(C)=O)c1    		 N-[3-(diethylamino)phenyl]ethanamide
    39441
    UIT
    ZINC000002146644    		 1 C8 H16 O3 InChI=1S/C8H16O3/c1-2-3-4
    -5-6-7(9)8(10)11/h7,9H,2-
    6H2,1H3,(H,10,11)/t7-/m1/
    s1;
    JKRDADVRIYVCCY-SSDOTTSWSA-N    		 CCCCCC[CH](O)C(O)=O; CCCCCC[C@@H](O)C(O)
    =O; CCCCCCC(C(=O)O)O; CCCCCC[C@H](C(=O)O
    )O    		 (2R)-2-oxidanyloctanoic acid
    39442
    UIU    		 0 C59 H85 F N8 O14 S InChI=1S/C59H85FN8O14S/c1
    -14-46-59(9)49(35(4)47(71
    )33(2)31-57(7,78-12)51(36
    (5)50(73)58(8,60)55(76)80
    -46)81-54-48(72)45(66(10)
    11)28-34(3)79-54)68(56(77
    )82-59)26-16-15-25-67-32-
    44(64-65-67)39-18-17-19-4
    0(30-39)62-52(74)42(24-27
    -83-13)63-53(75)43(61-37(
    6)69)29-38-20-22-41(70)23
    -21-38/h17-23,30,32-36,42
    -43,45-46,48-49,51,54,70,
    72H,14-16,24-29,31H2,1-13
    H3,(H,61,69)(H,62,74)(H,6
    3,75)/t33-,34-,35+,36+,42
    +,43+,45+,46-,48-,49-,51-
    ,54+,57-,58+,59-/m1/s1;
    OEYRSBHPKSARLY-KTBCHUDYSA-N    		 Oc1ccc(cc1)CC(NC(C)=O)C(=O)NC(CCSC)C(=O)
    Nc1cccc(c1)c1cn(nn1)CCCCN1C(=O)OC2(C)C(O
    C(=O)C(C)(F)C(=O)C(C)C(OC3OC(C)CC(N(C)C)
    C3O)C(C)(OC)CC(C)C(=O)C(C)C12)CC; CC[CH]
    1OC(=O)[C](C)(F)C(=O)[CH](C)[CH](O[CH]2O
    [CH](C)C[CH]([CH]2O)N(C)C)[C](C)(C[CH](C
    )C(=O)[CH](C)[CH]3N(CCCCn4cc(nn4)c5cccc(
    NC(=O)[CH](CCSC)NC(=O)[CH](Cc6ccc(O)cc6)
    NC(C)=O)c5)C(=O)O[C]13C)OC; CCC1C2(C(C(C
    (=O)C(CC(C(C(C(=O)C(C(=O)O1)(C)F)C)OC3C(
    C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CC
    CCn4cc(nn4)c5cccc(c5)NC(=O)C(CCSC)NC(=O)
    C(Cc6ccc(cc6)O)NC(=O)C)C; CC[C@@H]1[C@@]
    2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]
    ([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[
    C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)
    C)N(C(=O)O2)CCCCn4cc(nn4)c5cccc(c5)NC(=O
    )[C@H](CCSC)NC(=O)[C@H](Cc6ccc(cc6)O)NC(
    =O)C)C; CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C
    @H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C
    @H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H
    ](C)[C@H]3N(CCCCn4cc(nn4)c5cccc(NC(=O)[C
    @H](CCSC)NC(=O)[C@H](Cc6ccc(O)cc6)NC(C)=
    O)c5)C(=O)O[C@]13C)OC    		 N-acetyl-L-tyrosyl-N-[(3M)-3-(1-{4-[(3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-4-ethyl-7-fluoro-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}dodecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4H)-yl]butyl}-1H-1,2,3-triazol-4-yl)phenyl]-L-methioninamide;
    L-linker solithromycin conjugate
    39443
    UIV    		 1 C13 H21 N3 O InChI=1S/C13H21N3O/c1-15(
    9-11-8-14-16(2)10-11)13(1
    7)12-6-4-3-5-7-12/h8,10,1
    2H,3-7,9H2,1-2H3;
    QLYNJXNZOYZGAX-UHFFFAOYSA-N    		 Cn1cc(cn1)CN(C)C(=O)C2CCCCC2; Cn1cc(CN(C
    )C(=O)C2CCCCC2)cn1    		 ~{N}-methyl-~{N}-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide
    39444
    UIW    		 2 C21 H18 Br F N4 O2 InChI=1S/C21H18BrFN4O2/c1
    -12-5-3-4-6-17(12)26-19-1
    8(9-14(11-25-19)20(28)24-
    2)27-21(29)13-7-15(22)10-
    16(23)8-13/h3-11H,1-2H3,(
    H,24,28)(H,25,26)(H,27,29
    );
    CJLMSAJFQMAPAZ-UHFFFAOYSA-N    		 Cc1ccccc1Nc2c(cc(cn2)C(=O)NC)NC(=O)c3cc(
    cc(c3)Br)F; CNC(=O)c1cnc(Nc2ccccc2C)c(NC
    (=O)c3cc(F)cc(Br)c3)c1; Fc1cc(cc(Br)c1)C
    (=O)Nc1cc(cnc1Nc1ccccc1C)C(=O)NC    		 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
    39445
    UIX    		 46 C42 H58 O5 InChI=1S/C42H58O5/c1-30(1
    8-14-20-32(3)22-23-37-38(
    6,7)28-36(46-34(5)43)29-4
    0(37,10)45)16-12-13-17-31
    (2)19-15-21-33(4)24-25-42
    -39(8,9)26-35(44)27-41(42
    ,11)47-42/h12-22,24-25,35
    -36,44-45H,26-29H2,1-11H3
    /b13-12+,18-14+,19-15+,25
    -24+,30-16+,31-17+,32-20+
    ,33-21+/t23-,35-,36-,40+,
    41+,42-/m0/s1;
    PVNVIBOWBAPFOE-GYMZYDTCSA-N    		 CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C)
    O)OC(=O)C)(C)C)C=CC=C(C)C=CC23C(CC(CC2(O
    3)C)O)(C)C; C/C(=C\C=C\C=C(/C)\C=C\C=C(/
    C)\C=C=C1[C@](C[C@H](CC1(C)C)OC(=O)C)(C)
    O)/C=C/C=C(\C)/C=C/[C@]23[C@](O2)(C[C@H]
    (CC3(C)C)O)C; CC(=O)O[CH]1CC(C)(C)[C](=[
    C]=[CH]C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)
    C=C[C]23O[C]2(C)C[CH](O)CC3(C)C)[C](C)(O
    )C1; CC(=O)O[C@H]1CC(C)(C)[C](=[C@@]=[CH
    ]\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C
    )\C=C\[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)
    [C@](C)(O)C1    		 [(1~{S},5~{R})-3,3,5-trimethyl-5-oxidanyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{S},4~{S},6~{R})-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]cyclohexyl] ethanoate;
    Dinoxanthin
    39446
    UIY    		 2 C22 H24 N4 O3 InChI=1S/C22H24N4O3/c1-3-
    28-14-16-5-4-15(2)19(12-1
    6)25-21-24-13-20(29-21)17
    -6-8-18(9-7-17)26-11-10-2
    3-22(26)27/h4-9,12-13H,3,
    10-11,14H2,1-2H3,(H,23,27
    )(H,24,25);
    ZBAFYGYLXHEICJ-UHFFFAOYSA-N    		 CCOCc1ccc(C)c(Nc2oc(cn2)c3ccc(cc3)N4CCNC
    4=O)c1; CCOCc1ccc(c(c1)Nc2ncc(o2)c3ccc(c
    c3)N4CCNC4=O)C    		 AB-8939;
    1-[4-[2-[[5-(ethoxymethyl)-2-methyl-phenyl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one
    39447
    UIZ    		 1 C31 H32 N4 O3 InChI=1S/C31H32N4O3/c32-3
    0(33)22-11-9-21(10-12-22)
    29-28-27(23-7-4-14-34(23)
    29)24(15-19-5-2-1-3-6-19)
    35(31(28)36)17-20-8-13-25
    -26(16-20)38-18-37-25/h1-
    3,5-6,8-13,16,23-24,27-29
    H,4,7,14-15,17-18H2,(H3,3
    2,33)/t23-,24?,27+,28-,29
    -/m0/s1;
    APELQVQIJUTSME-UDOPOUDQSA-N    		 [H]/N=C(/c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C
    @H]4[N@@]2CCC4)[C@@H](N(C3=O)Cc5ccc6c(c5
    )OCO6)Cc7ccccc7)\N; NC(=N)c1ccc(cc1)[C@H
    ]2[C@@H]3[C@H]([C@@H]4CCCN24)[C@H](Cc5cc
    ccc5)N(Cc6ccc7OCOc7c6)C3=O; O=C2N(C(Cc1c
    cccc1)C5C2C(c3ccc(C(=[N@H])N)cc3)N4CCCC4
    5)Cc6ccc7OCOc7c6; NC(=N)c1ccc(cc1)[CH]2[
    CH]3[CH]([CH]4CCCN24)[CH](Cc5ccccc5)N(Cc
    6ccc7OCOc7c6)C3=O; [H]N=C(c1ccc(cc1)C2C3
    C(C4N2CCC4)C(N(C3=O)Cc5ccc6c(c5)OCO6)Cc7
    ccccc7)N    		 (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL)-1-BENZYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROZILIN-4-YL-BENZAMIDINE
    39448
    UJ0    		 1 C19 H22 F2 N2 O2 InChI=1S/C19H22F2N2O2/c1-
    2-17(24)23(16-7-8-16)18(1
    2-9-13(20)11-14(21)10-12)
    19(25)22-15-5-3-4-6-15/h2
    ,9-11,15-16,18H,1,3-8H2,(
    H,22,25)/t18-/m1/s1;
    VMRIFQHBFDXKML-GOSISDBHSA-N    		 Fc1cc(F)cc(c1)[CH](N(C2CC2)C(=O)C=C)C(=O
    )NC3CCCC3; Fc1cc(F)cc(c1)[C@@H](N(C2CC2)
    C(=O)C=C)C(=O)NC3CCCC3; C=CC(=O)N(C1CC1)
    C(c2cc(cc(c2)F)F)C(=O)NC3CCCC3; C=CC(=O)
    N(C1CC1)[C@H](c2cc(cc(c2)F)F)C(=O)NC3CCC
    C3    		 N-[(1R)-1-[3,5-bis(fluoranyl)phenyl]-2-(cyclopentylamino)-2-oxidanylidene-ethyl]-N-cyclopropyl-prop-2-enamide
    39449
    UJ1    		 2 C26 H33 N5 O2 InChI=1S/C26H33N5O2/c1-7-
    18-12-9-11-17(3)23(18)28-
    25(33)24(19-13-10-14-27-1
    6-19)31(22(32)8-2)21-15-2
    0(29-30-21)26(4,5)6/h9-16
    ,24H,7-8H2,1-6H3,(H,28,33
    )(H,29,30)/t24-/m1/s1;
    ATGHYXLOAJYKKJ-XMMPIXPASA-N    		 CCc1cccc(c1NC(=O)[C@@H](c2cccnc2)N(c3cc(
    [nH]n3)C(C)(C)C)C(=O)CC)C; CCC(=O)N([CH]
    (C(=O)Nc1c(C)cccc1CC)c2cccnc2)c3cc([nH]n
    3)C(C)(C)C; CCC(=O)N([C@@H](C(=O)Nc1c(C)
    cccc1CC)c2cccnc2)c3cc([nH]n3)C(C)(C)C; C
    Cc1cccc(c1NC(=O)C(c2cccnc2)N(c3cc([nH]n3
    )C(C)(C)C)C(=O)CC)C; N(c1c(cccc1C)CC)C(=
    O)C(N(c2cc(nn2)C(C)(C)C)C(CC)=O)c3cnccc3    		 N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
    39450
    UJ2
    CHEMBL5091830    		 1 C22 H18 N2 O3 InChI=1S/C22H18N2O3/c1-27
    -20(16-9-7-15(8-10-16)14-
    5-3-2-4-6-14)21-23-18-12-
    11-17(22(25)26)13-19(18)2
    4-21/h2-13,20H,1H3,(H,23,
    24)(H,25,26)/t20-/m0/s1;
    QYAGQWPYMHPLMR-FQEVSTJZSA-N    		 CO[C@H](c1[nH]c2cc(ccc2n1)C(O)=O)c3ccc(c
    c3)c4ccccc4; COC(c1ccc(cc1)c2ccccc2)c3[n
    H]c4cc(ccc4n3)C(=O)O; CO[C@@H](c1ccc(cc1
    )c2ccccc2)c3[nH]c4cc(ccc4n3)C(=O)O; CO[C
    H](c1[nH]c2cc(ccc2n1)C(O)=O)c3ccc(cc3)c4
    ccccc4    		 2-[(~{S})-methoxy-(4-phenylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid
    39451
    UJ3    		 1 C22 H22 F N3 O3 InChI=1S/C22H22FN3O3/c1-1
    1(2)19(20-12(3)17-9-14(23
    )4-7-18(17)29-20)26-22(28
    )25-15-5-6-16-13(8-15)10-
    24-21(16)27/h4-9,11,19H,1
    0H2,1-3H3,(H,24,27)(H2,25
    ,26,28)/t19-/m0/s1;
    LZUITSLTUCNJFS-IBGZPJMESA-N    		 CC(C)[C@H](NC(=O)Nc1ccc2C(=O)NCc2c1)c3oc
    4ccc(F)cc4c3C; Cc1c2cc(ccc2oc1C(C(C)C)NC
    (=O)Nc3ccc4c(c3)CNC4=O)F; Cc1c2cc(ccc2oc
    1[C@H](C(C)C)NC(=O)Nc3ccc4c(c3)CNC4=O)F;
    CC(C)[CH](NC(=O)Nc1ccc2C(=O)NCc2c1)c3oc
    4ccc(F)cc4c3C    		 1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea;
    SCHEMBL24756013
    39452
    UJ4    		 1 C27 H31 N3 O4 InChI=1S/C27H31N3O4/c1-6-
    25(31)30(22-11-9-20(10-12
    -22)19(3)33-4)26(21-8-7-1
    5-28-17-21)27(32)29-24-14
    -13-23(34-5)16-18(24)2/h7
    -17,19,26H,6H2,1-5H3,(H,2
    9,32)/t19-,26+/m0/s1;
    QDPHPMZTNKBBHJ-AFMDSPMNSA-N    		 N(c1c(C)cc(cc1)OC)C(=O)C(c2cccnc2)N(c3cc
    c(cc3)C(OC)C)C(CC)=O; CCC(=O)N(c1ccc(cc1
    )C(C)OC)C(c2cccnc2)C(=O)Nc3ccc(cc3C)OC;
    CCC(=O)N([C@@H](C(=O)Nc1ccc(OC)cc1C)c2cc
    cnc2)c3ccc(cc3)[C@H](C)OC; CCC(=O)N(c1cc
    c(cc1)[C@H](C)OC)[C@H](c2cccnc2)C(=O)Nc3
    ccc(cc3C)OC; CCC(=O)N([CH](C(=O)Nc1ccc(O
    C)cc1C)c2cccnc2)c3ccc(cc3)[CH](C)OC    		 N-{4-[(1S)-1-methoxyethyl]phenyl}-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
    39453
    UJ5
    CHEMBL5086911    		 1 C19 H20 N2 O3 InChI=1S/C19H20N2O3/c1-11
    (2)12-4-6-13(7-5-12)17(24
    -3)18-20-15-9-8-14(19(22)
    23)10-16(15)21-18/h4-11,1
    7H,1-3H3,(H,20,21)(H,22,2
    3)/t17-/m0/s1;
    PVZNGPPPFPTWEL-KRWDZBQOSA-N    		 CC(C)c1ccc(cc1)C(c2[nH]c3cc(ccc3n2)C(=O)
    O)OC; CO[CH](c1[nH]c2cc(ccc2n1)C(O)=O)c3
    ccc(cc3)C(C)C; CO[C@H](c1[nH]c2cc(ccc2n1
    )C(O)=O)c3ccc(cc3)C(C)C; CC(C)c1ccc(cc1)
    [C@@H](c2[nH]c3cc(ccc3n2)C(=O)O)OC    		 2-[(~{S})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid
    39454
    UJ6
    ZINC000095920892    		 4 C17 H13 N O5 InChI=1S/C17H13NO5/c19-16
    -11(10-3-1-2-4-12(10)18-1
    6)7-9-5-6-13-15(23-8-22-1
    3)14(9)17(20)21/h1-6,11H,
    7-8H2,(H,18,19)(H,20,21)/
    t11-/m0/s1;
    KPBCEHCDLYYWDE-NSHDSACASA-N    		 OC(=O)c1c(C[CH]2C(=O)Nc3ccccc23)ccc4OCOc
    14; c1ccc2c(c1)[C@@H](C(=O)N2)Cc3ccc4c(c
    3C(=O)O)OCO4; OC(=O)c1c(C[C@@H]2C(=O)Nc3
    ccccc23)ccc4OCOc14; O=C2Nc1ccccc1C2Cc3cc
    c4OCOc4c3C(=O)O; c1ccc2c(c1)C(C(=O)N2)Cc
    3ccc4c(c3C(=O)O)OCO4    		 5-{[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}-1,3-benzodioxole-4-carboxylic acid
    39455
    UJ7    		 3 C35 H49 N5 O3 S InChI=1S/C35H49N5O3S/c1-2
    5-32(27-14-7-3-8-15-27)43
    -35(37-25)39-19-20-40(31(
    24-39)33(41)36-23-29-18-1
    1-21-44-29)34(42)30(22-26
    -12-5-2-6-13-26)38-28-16-
    9-4-10-17-28/h3,7-8,11,14
    -15,18,21,25-26,28,30-32,
    38H,2,4-6,9-10,12-13,16-1
    7,19-20,22-24H2,1H3,(H,36
    ,41)/t25-,30-,31+,32-/m1/
    s1;
    CTYNKFLWABFRHE-BESSAKRQSA-N    		 C[CH]1N=C(O[CH]1c2ccccc2)N3CCN([CH](C3)C
    (=O)NCc4sccc4)C(=O)[CH](CC5CCCCC5)NC6CCC
    CC6; N2(CC(C(NCc1cccs1)=O)N(CC2)C(C(CC3C
    CCCC3)NC4CCCCC4)=O)C=6OC(c5ccccc5)C(C)N=
    6; CC1C(OC(=N1)N2CCN(C(C2)C(=O)NCc3cccs3
    )C(=O)C(CC4CCCCC4)NC5CCCCC5)c6ccccc6; C[
    C@@H]1[C@@H](OC(=N1)N2CCN([C@@H](C2)C(=O
    )NCc3cccs3)C(=O)[C@@H](CC4CCCCC4)NC5CCCC
    C5)c6ccccc6; C[C@H]1N=C(O[C@H]1c2ccccc2)
    N3CCN([C@@H](C3)C(=O)NCc4sccc4)C(=O)[C@@
    H](CC5CCCCC5)NC6CCCCC6    		 (2S)-1-(N,3-dicyclohexyl-D-alanyl)-4-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide
    39456
    UJ8
    CHEMBL5070147    		 1 C17 H18 N2 O InChI=1S/C17H18N2O/c1-11(
    2)12-7-9-13(10-8-12)16(20
    )17-18-14-5-3-4-6-15(14)1
    9-17/h3-11,16,20H,1-2H3,(
    H,18,19)/t16-/m0/s1;
    ALKXKMROLUPKRL-INIZCTEOSA-N    		 CC(C)c1ccc(cc1)[C@H](O)c2[nH]c3ccccc3n2;
    CC(C)c1ccc(cc1)[C@@H](c2[nH]c3ccccc3n2)
    O; CC(C)c1ccc(cc1)C(c2[nH]c3ccccc3n2)O;
    CC(C)c1ccc(cc1)[CH](O)c2[nH]c3ccccc3n2    		 (~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol
    39457
    UJ9    		 2 C19 H29 N6 O5 S2 InChI=1S/C19H28N6O5S2/c1-
    25(5-3-4-6-25)7-11-9-31-1
    7(23-14(11)18(28)29)12(8-
    26)21-16(27)15(24-30-2)13
    -10-32-19(20)22-13/h10-12
    ,17,26H,3-9H2,1-2H3,(H3-,
    20,21,22,27,28,29)/p+1/b2
    4-15-/t11-,12-,17-/m1/s1;
    XJYXJMZNAZABOJ-BNWKVGSUSA-O    		 C[N+]1(CCCC1)C[C@@H]2CS[C@@H](N=C2C(=O)O
    )[C@@H](CO)NC(=O)/C(=N\OC)/c3csc(n3)N; C
    [N+]1(CCCC1)CC2CSC(N=C2C(=O)O)C(CO)NC(=O
    )C(=NOC)c3csc(n3)N; CON=C(C(=O)N[CH](CO)
    [CH]1SC[CH](C[N+]2(C)CCCC2)C(=N1)C(O)=O)
    c3csc(N)n3; CO\N=C(/C(=O)N[C@H](CO)[C@H]
    1SC[C@@H](C[N+]2(C)CCCC2)C(=N1)C(O)=O)c3
    csc(N)n3    		 Cefepime (open);
    (2R,5S)-2-[(1R)-1-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanyl-ethyl]-5-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid;
    Cefepimum (reacted)
    39458
    UJA    		 3 C32 H42 Cl N5 O3 S InChI=1S/C32H42ClN5O3S/c3
    3-23-13-14-29-26(19-23)36
    -32(41-29)37-15-16-38(28(
    21-37)30(39)34-20-25-12-7
    -17-42-25)31(40)27(18-22-
    8-3-1-4-9-22)35-24-10-5-2
    -6-11-24/h7,12-14,17,19,2
    2,24,27-28,35H,1-6,8-11,1
    5-16,18,20-21H2,(H,34,39)
    /t27-,28+/m1/s1;
    WQMFHHFJPDQBMH-IZLXSDGUSA-N    		 c1cc(sc1)CNC(=O)C2CN(CCN2C(=O)C(CC3CCCCC
    3)NC4CCCCC4)c5nc6cc(ccc6o5)Cl; Clc1ccc2o
    c(nc2c1)N3CCN([CH](C3)C(=O)NCc4sccc4)C(=
    O)[CH](CC5CCCCC5)NC6CCCCC6; Clc1ccc2oc(n
    c2c1)N3CCN([C@@H](C3)C(=O)NCc4sccc4)C(=O
    )[C@@H](CC5CCCCC5)NC6CCCCC6; c1cc(sc1)CN
    C(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC3CCCCC3
    )NC4CCCCC4)c5nc6cc(ccc6o5)Cl; C3N(c1oc2c
    (n1)cc(Cl)cc2)CCN(C3C(NCc4cccs4)=O)C(=O)
    C(CC5CCCCC5)NC6CCCCC6    		 (2S)-4-(5-chloro-1,3-benzoxazol-2-yl)-1-(N,3-dicyclohexyl-D-alanyl)-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide
    39459
    UJB
    ZINC000219083447    		 1 C19 H22 Cl F3 N4 O2 S InChI=1S/C19H22ClF3N4O2S/
    c1-11-9-29-10-12(2)27(11)
    16-7-17(28)25-6-5-14(19(2
    1,22)23)26(18(25)24-16)8-
    13-3-4-15(20)30-13/h3-4,7
    ,11-12,14H,5-6,8-10H2,1-2
    H3/t11-,12-,14+/m1/s1;
    MMAAITOCOBQYBQ-BZPMIXESSA-N    		 CC1COCC(N1C2=CC(=O)N3CCC(N(C3=N2)Cc4ccc(
    s4)Cl)C(F)(F)F)C; C[C@@H]1COC[C@H](N1C2=
    CC(=O)N3CC[C@H](N(C3=N2)Cc4ccc(s4)Cl)C(F
    )(F)F)C; C[C@@H]1COC[C@@H](C)N1C2=CC(=O)
    N3CC[C@H](N(Cc4sc(Cl)cc4)C3=N2)C(F)(F)F;
    Clc1sc(cc1)CN4C3=NC(N2C(C)COCC2C)=CC(=O
    )N3CCC4C(F)(F)F; C[CH]1COC[CH](C)N1C2=CC
    (=O)N3CC[CH](N(Cc4sc(Cl)cc4)C3=N2)C(F)(F
    )F    		 (2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one
    39460
    UJC    		 1 C25 H19 F4 N3 O3 InChI=1S/C25H19F4N3O3/c1-
    12-5-3-4-6-17(12)21-20-18
    (24(35)32-21)9-14(22(33)3
    0-2)10-19(20)31-23(34)13-
    7-15(25(27,28)29)11-16(26
    )8-13/h3-11,21H,1-2H3,(H,
    30,33)(H,31,34)(H,32,35)/
    t21-/m0/s1;
    CIGJKSFOADUAIC-NRFANRHFSA-N    		 Cc1ccccc1[C@H]2c3c(cc(cc3NC(=O)c4cc(cc(c
    4)F)C(F)(F)F)C(=O)NC)C(=O)N2; FC(F)(F)c1
    cc(cc(F)c1)C(=O)Nc1cc(cc2C(=O)NC(c21)c1c
    cccc1C)C(=O)NC; CNC(=O)c1cc(NC(=O)c2cc(F
    )cc(c2)C(F)(F)F)c3[CH](NC(=O)c3c1)c4cccc
    c4C; Cc1ccccc1C2c3c(cc(cc3NC(=O)c4cc(cc(
    c4)F)C(F)(F)F)C(=O)NC)C(=O)N2; CNC(=O)c1
    cc(NC(=O)c2cc(F)cc(c2)C(F)(F)F)c3[C@@H](
    NC(=O)c3c1)c4ccccc4C    		 (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide
    39461
    UJD
    CHEMBL1982694
    ZINC000001684251    		 9 C4 H6 O2 S2 InChI=1S/C4H6O2S2/c5-3(6)
    4-7-1-2-8-4/h4H,1-2H2,(H,
    5,6);
    DSOVOUOPKYLGID-UHFFFAOYSA-N    		 OC(=O)C1SCCS1; C1CSC(S1)C(=O)O; C(C1SCCS
    1)(O)=O    		 1,3-dithiolane-2-carboxylic acid
    39462
    UJE    		 10 C14 H24 N4 O2 S InChI=1S/C14H24N4O2S/c19-
    12(16-9-5-6-15-7-9)4-2-1-
    3-11-13-10(8-21-11)17-14(
    20)18-13/h9-11,13,15H,1-8
    H2,(H,16,19)(H2,17,18,20)
    /t9-,10-,11-,13-/m0/s1;
    QSMYOZNFIUDGEL-ZPFDUUQYSA-N    		 O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)N[CH]3
    CCNC3; C1CNCC1NC(=O)CCCCC2C3C(CS2)NC(=O)
    N3; C1CNC[C@H]1NC(=O)CCCC[C@H]2[C@@H]3[C
    @H](CS2)NC(=O)N3; O=C(CCCC[C@@H]1SC[C@@H
    ]2NC(=O)N[C@H]12)N[C@H]3CCNC3    		 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide;
    5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[(3~{S})-pyrrolidin-3-yl]pentanamide
    39463
    UJF
    CHEMBL1182312
    ZINC000013681007    		 2 C14 H14 I N O2 InChI=1S/C14H14INO2/c15-1
    3-9-10(7-8-16)1-6-14(13)1
    8-12-4-2-11(17)3-5-12/h1-
    6,9,17H,7-8,16H2;
    XIINYOJWNGOUPF-UHFFFAOYSA-N    		 c1cc(ccc1O)Oc2ccc(cc2I)CCN; NCCc1ccc(Oc2
    ccc(O)cc2)c(I)c1    		 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol
    39464
    UJG    		 2 C31 H41 N9 O15 P2 S InChI=1S/C31H41N9O15P2S/c
    1-13-6-15-16(7-14(13)2)40
    (20-4-3-5-58-20)22-28(36-
    31(47)37-29(22)46)38(15)8
    -17(41)23(43)18(42)9-52-5
    6(48,49)55-57(50,51)53-10
    -19-24(44)25(45)30(54-19)
    39-12-35-21-26(32)33-11-3
    4-27(21)39/h6-7,11-12,17-
    20,23-25,30,41-45H,3-5,8-
    10H2,1-2H3,(H,48,49)(H,50
    ,51)(H2,32,33,34)(H2,36,3
    7,46,47)/t17-,18+,19+,20+
    ,23-,24+,25+,30+/m0/s1;
    LSSZTRLJARKKDF-JFPATDFNSA-N    		 Cc1cc2N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O
    )(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[
    C@@H]3O)n4cnc5c(N)ncnc45)C6=C(N([C@H]7CC
    CS7)c2cc1C)C(=O)NC(=O)N6; Cc1cc2N(C[CH](
    O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)O
    C[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc
    45)C6=C(N([CH]7CCCS7)c2cc1C)C(=O)NC(=O)N
    6; P(=O)(O)(OCC1OC(C(C1O)O)n2cnc3c(N)ncn
    c23)OP(OCC(C(C(CN5c7c(N(C=4C(NC(NC=45)=O
    )=O)C6CCCS6)cc(C)c(C)c7)O)O)O)(=O)O; Cc1
    cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)OP(=
    O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O
    )O)NC(=O)NC3=O)C7CCCS7; Cc1cc2c(cc1C)N(C
    3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP
    (=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5
    cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)[C@H]
    7CCCS7    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
    39465
    UJH    		 1 C10 H9 N O2 InChI=1S/C10H9NO2/c1-13-1
    1-7-6-10(12)8-4-2-3-5-9(8
    )11/h2-7H,1H3;
    QKCKRWUYZIGMET-UHFFFAOYSA-N    		 CON1C=CC(=O)c2c1cccc2; CON1C=CC(=O)c2ccc
    cc12    		 1-methoxy-4-oxoquinoline;
    1-methoxyquinolin-4-one
    39466
    UJI    		 4 H4 O4 Sb InChI=1S/4H2O.Sb.H/h4*1H2
    ;;/q;;;;+4;/p-4;
    JMPYBWKBSUDWDS-UHFFFAOYSA-J    		 O[Sb](O)(O)O tetrakis(oxidanyl)antimony;
    antimony oxyanion
    39467
    UJJ    		 2 C30 H39 N9 O15 P2 S2 InChI=1S/C30H39N9O15P2S2/
    c1-12-5-14-15(6-13(12)2)3
    9(30-57-3-4-58-30)20-26(3
    5-29(46)36-27(20)45)37(14
    )7-16(40)21(42)17(41)8-51
    -55(47,48)54-56(49,50)52-
    9-18-22(43)23(44)28(53-18
    )38-11-34-19-24(31)32-10-
    33-25(19)38/h5-6,10-11,16
    -18,21-23,28,30,40-44H,3-
    4,7-9H2,1-2H3,(H,47,48)(H
    ,49,50)(H2,31,32,33)(H2,3
    5,36,45,46)/t16-,17+,18+,
    21-,22+,23+,28+/m0/s1;
    JJIDBJDGDVTJIQ-LKQKGXMZSA-N    		 Cc1cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)O
    P(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)
    O)O)O)NC(=O)NC3=O)C7SCCS7; Cc1cc2c(cc1C)
    N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O
    )OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4
    )n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C7
    SCCS7; C1(C2=C(NC(=O)N1)N(c4cc(c(cc4N2C3
    SCCS3)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(
    O)OCC5OC(C(C5O)O)n6cnc7c(N)ncnc67)=O; Cc
    1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)
    O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4
    cnc5c(N)ncnc45)C6=C(N(C7SCCS7)c2cc1C)C(=
    O)NC(=O)N6; Cc1cc2N(C[C@H](O)[C@H](O)[C@
    H](O)CO[P](O)(=O)O[P](O)(=O)OC[C@H]3O[C@
    H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)C6=
    C(N(C7SCCS7)c2cc1C)C(=O)NC(=O)N6    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[5-(1,3-dithiolan-2-yl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
    39468
    UJK
    ZINC000036666764    		 3 C10 H9 N3 O2 InChI=1S/C10H9N3O2/c1-7-4
    -2-3-5-9(7)13-6-8(10(14)1
    5)11-12-13/h2-6H,1H3,(H,1
    4,15);
    DAYJQFRBEKQYDR-UHFFFAOYSA-N    		 Cc1ccccc1n2cc(nn2)C(O)=O; Cc1ccccc1n2cc(
    nn2)C(=O)O    		 1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid;
    1-o-tolyl-1H-[1,2,3]triazole-4-carboxylic acid, 1-(2-methylphenyl)triazole-4-carboxylic acid, Z2327226104
    39469
    UJL
    CHEMBL4650337
    DB15665
    ZINC000205013646    		 6 C9 H13 N O S InChI=1S/C9H13NOS/c1-10-6
    -8-9-7(2-4-11-8)3-5-12-9/
    h3,5,8,10H,2,4,6H2,1H3/t8
    -/m0/s1;
    ABDDQTDRAHXHOC-QMMMGPOBSA-N    		 CNCC1c2c(ccs2)CCO1; CNC[C@H]1c2c(ccs2)CC
    O1; CNC[CH]1OCCc2ccsc12; CNC[C@@H]1OCCc2
    ccsc12    		 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine;
    Ulotaront;
    SEP-363856 ;
    SEP-856
    39470
    UJM
    ZINC000000900767    		 2 C5 H8 O2 S InChI=1S/C5H8O2S/c6-5(7)4
    -2-1-3-8-4/h4H,1-3H2,(H,6
    ,7)/t4-/m0/s1;
    MZOYMQRKTJRHGJ-BYPYZUCNSA-N    		 OC(=O)[CH]1CCCS1; C(O)(C1SCCC1)=O; C1CC(
    SC1)C(=O)O; C1C[C@H](SC1)C(=O)O; OC(=O)[
    C@@H]1CCCS1    		 (2S)-thiolane-2-carboxylic acid
    39471
    UJN    		 1 C14 H26 O23 P6 InChI=1S/C14H26O23P6/c15-
    38(16,17)7-39(18,19)33-12
    -13(36-42(26,27)28)10(34-
    40(20,21)22)9(32-6-8-4-2-
    1-3-5-8)11(35-41(23,24)25
    )14(12)37-43(29,30)31/h1-
    5,9-14H,6-7H2,(H,18,19)(H
    2,15,16,17)(H2,20,21,22)(
    H2,23,24,25)(H2,26,27,28)
    (H2,29,30,31)/t9-,10-,11+
    ,12-,13-,14-/m1/s1;
    WTIJGFYHWWTXHU-BUCHIQEDSA-N    		 c1ccc(cc1)COC2[C@@H]([C@H](C([C@@H]([C@@
    H]2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(CP(=O)(O
    )O)O)OP(=O)(O)O)OP(=O)(O)O; c1ccc(cc1)CO
    C2C(C(C(C(C2OP(=O)(O)O)OP(=O)(O)O)OP(=O)
    (CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O; O[P
    ](O)(=O)C[P](O)(=O)O[CH]1[CH](O[P](O)(O)
    =O)[CH](O[P](O)(O)=O)[CH](OCc2ccccc2)[CH
    ](O[P](O)(O)=O)[CH]1O[P](O)(O)=O; O[P](O
    )(=O)C[P](O)(=O)O[C@@H]1[C@H](O[P](O)(O)
    =O)[C@H](O[P](O)(O)=O)[C@@H](OCc2ccccc2)
    [C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O    		 [oxidanyl-[(2S,3R,5S,6S)-4-phenylmethoxy-2,3,5,6-tetraphosphonooxy-cyclohexyl]oxy-phosphoryl]methylphosphonic acid;
    [oxidanyl-[(2~{S},3~{R},5~{S},6~{S})-4-phenylmethoxy-2,3,5,6-tetraphosphonooxy-cyclohexyl]oxy-phosphoryl]methylphosphonic acid
    39472
    UJO    		 6 C29 H57 N O3 InChI=1S/C29H57NO3/c1-3-5
    -7-9-11-13-14-15-17-18-20
    -22-24-28(32)27(26-31)30-
    29(33)25-23-21-19-16-12-1
    0-8-6-4-2/h22,24,27-28,31
    -32H,3-21,23,25-26H2,1-2H
    3,(H,30,33)/b24-22-/t27-,
    28+/m0/s1;
    CUYUYRQLXJHPEB-UWJMOZLHSA-N    		 CCCCCCCCCCCC/C=C\[C@H]([C@H](CO)NC(=O)CC
    CCCCCCCCC)O; CCCCCCCCCCCCC=C[CH](O)[CH](
    CO)NC(=O)CCCCCCCCCCC; CCCCCCCCCCCCC=CC(C
    (CO)NC(=O)CCCCCCCCCCC)O; CCCCCCCCCCCC\C=
    C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC    		 ~{N}-[(~{Z},2~{S},3~{R})-1,3-bis(oxidanyl)heptadec-4-en-2-yl]dodecanamide
    39473
    UJP
    ZINC000000900769    		 8 C5 H8 O2 S InChI=1S/C5H8O2S/c6-5(7)4
    -2-1-3-8-4/h4H,1-3H2,(H,6
    ,7)/t4-/m1/s1;
    MZOYMQRKTJRHGJ-SCSAIBSYSA-N    		 C(O)(C1CCCS1)=O; C1C[C@@H](SC1)C(=O)O; O
    C(=O)[CH]1CCCS1; C1CC(SC1)C(=O)O; OC(=O)
    [C@H]1CCCS1    		 (2R)-thiolane-2-carboxylic acid
    39474
    UJQ
    CHEMBL520
    ZINC000000078659    		 3 C14 H10 O3 InChI=1S/C14H10O3/c15-14(
    16)13-9-5-1-3-7-11(9)17-1
    2-8-4-2-6-10(12)13/h1-8,1
    3H,(H,15,16);
    VSBFNCXKYIEYIS-UHFFFAOYSA-N    		 c1ccc2c(c1)C(c3ccccc3O2)C(=O)O; OC(=O)C1
    c2ccccc2Oc3ccccc13    		 9~{H}-xanthene-9-carboxylic acid
    39475
    UJR    		 0 C7 H8 I N3 O S InChI=1S/C7H8IN3OS/c8-5-1
    -10-7(11-2-5)13-4-6(9)3-1
    2/h1-3,6H,4,9H2/t6-/m1/s1;
    MJAWREUUBHZDOO-ZCFIWIBFSA-N    		 c1c(cnc(n1)SC[C@@H](C=O)N)I; c1c(cnc(n1)
    SCC(C=O)N)I; N[CH](CSc1ncc(I)cn1)C=O; N[
    C@@H](CSc1ncc(I)cn1)C=O    		 (2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal;
    arylated cysteine
    39476
    UJS    		 2 C24 H16 N2 O3 InChI=1S/C24H16N2O3/c27-2
    2-10-9-16(23(28)25-12-17-
    5-1-2-6-18(17)13-25)11-21
    (22)24(29)26-14-19-7-3-4-
    8-20(19)15-26/h1-15,27H;
    FQSLQNAXZJFWRX-UHFFFAOYSA-N    		 c3(c(ccc(C(=O)n1cc2c(c1)cccc2)c3)O)C(=O)
    n4cc5c(c4)cccc5; Oc1ccc(cc1C(=O)n2cc3ccc
    cc3c2)C(=O)n4cc5ccccc5c4; c1ccc2cn(cc2c1
    )C(=O)c3ccc(c(c3)C(=O)n4cc5ccccc5c4)O    		 (4-hydroxy-1,3-phenylene)bis[(2H-isoindol-2-yl)methanone]
    39477
    UJU
    CHEMBL4594376    		 1 C17 H22 N4 O2 InChI=1S/C17H22N4O2/c1-3-
    14-11(2)16(21-20-14)17(22
    )19-13-6-4-12(5-7-13)15-1
    0-18-8-9-23-15/h4-7,15,18
    H,3,8-10H2,1-2H3,(H,19,22
    )(H,20,21)/t15-/m1/s1;
    XHHXGKRFUPEPFM-OAHLLOKOSA-N    		 CCc1[nH]nc(C(=O)Nc2ccc(cc2)[C@H]3CNCCO3)
    c1C; CCc1c(c(n[nH]1)C(=O)Nc2ccc(cc2)C3CN
    CCO3)C; CCc1c(c(n[nH]1)C(=O)Nc2ccc(cc2)[
    C@H]3CNCCO3)C; CCc1[nH]nc(C(=O)Nc2ccc(cc
    2)[CH]3CNCCO3)c1C    		 5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide;
    Ralmitaront
    39478
    UJV    		 2 C25 H17 F N2 O4 InChI=1S/C25H17FN2O4/c1-3
    2-19-7-5-16-11-27(13-18(1
    6)9-19)25(31)20-10-15(6-8
    -23(20)29)24(30)28-12-17-
    3-2-4-22(26)21(17)14-28/h
    2-14,29H,1H3;
    CNJHIRFLYFXCOH-UHFFFAOYSA-N    		 c1c5c(cn1C(c4ccc(O)c(C(=O)n2cc3c(c2)cc(c
    c3)OC)c4)=O)c(F)ccc5; COc1ccc2cn(cc2c1)C
    (=O)c3cc(ccc3O)C(=O)n4cc5cccc(c5c4)F; CO
    c1ccc2cn(cc2c1)C(=O)c3cc(ccc3O)C(=O)n4cc
    5cccc(F)c5c4    		 [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-methoxy-2H-isoindol-2-yl)methanone
    39479
    UJW    		 1 C13 H15 N3 S InChI=1S/C13H15N3S/c14-7-
    6-11-10(8-12(17-11)13(15)
    16)9-4-2-1-3-5-9/h1-5,8H,
    6-7,14H2,(H3,15,16);
    KHPVBZDLURAJCV-UHFFFAOYSA-N    		 NCCc1sc(cc1c2ccccc2)C(N)=N; [H]/N=C(\c1c
    c(c(s1)CCN)c2ccccc2)/N; c1ccc(cc1)c2cc(s
    c2CCN)C(=N)N    		 5-(2-azanylethyl)-4-phenyl-thiophene-2-carboximidamide;
    5-(2-aminoethyl)-4-phenylthiophene-2-carboximidamide
    39480
    UJX    		 1 C19 H18 N2 O5 InChI=1S/C19H18N2O5/c1-3-
    25-19(24)17-16(12-5-4-8-2
    0-10-12)14-7-6-13(23)9-15
    (14)26-18(17)21-11(2)22/h
    4-10,16,23H,3H2,1-2H3,(H,
    21,22)/t16-/m0/s1;
    GGBHINRNYAAYMX-INIZCTEOSA-N    		 CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2[C@@H]1
    c3cccnc3; CCOC(=O)C1=C(Oc2cc(ccc2C1c3ccc
    nc3)O)NC(=O)C; CCOC(=O)C1=C(Oc2cc(ccc2[C
    @@H]1c3cccnc3)O)NC(=O)C; CCOC(=O)C1=C(NC
    (C)=O)Oc2cc(O)ccc2[CH]1c3cccnc3    		 ethyl 2-acetamido-7-hydroxy-4-(pyridin-3-yl)-4H-chromene-3-carboxylate;
    ethyl (4S)-2-acetamido-7-oxidanyl-4-pyridin-3-yl-4H-chromene-3-carboxylate;
    ethyl 2-(acetylamino)-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate
    39481
    UJY    		 2 C45 H37 N2 O4 P InChI=1S/C45H37N2O4P/c48-
    43-24-22-33(44(49)46-29-3
    4-13-10-11-14-35(34)30-46
    )28-42(43)45(50)47-31-36-
    21-23-38(27-37(36)32-47)5
    1-25-12-26-52(39-15-4-1-5
    -16-39,40-17-6-2-7-18-40)
    41-19-8-3-9-20-41/h1-11,1
    3-24,27-32,48,52H,12,25-2
    6H2;
    LKRQAENWLOVTOO-UHFFFAOYSA-N    		 Oc1ccc(cc1C(=O)n2cc3ccc(OCCC[PH](c4ccccc
    4)(c5ccccc5)c6ccccc6)cc3c2)C(=O)n7cc8ccc
    cc8c7; c1ccc(cc1)P(CCCOc2ccc3cn(cc3c2)C(
    =O)c4cc(ccc4O)C(=O)n5cc6ccccc6c5)(c7cccc
    c7)c8ccccc8; c1(cc(ccc1O)C(n3cc2c(cccc2)
    c3)=O)C(=O)n4cc5c(c4)cc(cc5)OCCCP(c6cccc
    c6)(c7ccccc7)c8ccccc8    		 [2-hydroxy-5-(2H-isoindole-2-carbonyl)phenyl]{5-[3-(triphenyl-lambda~5~-phosphanyl)propoxy]-2H-isoindol-2-yl}methanone
    39482
    UJZ
    ZINC000000090522    		 6 C8 H4 Br F3 N2 InChI=1S/C8H4BrF3N2/c9-5-
    1-4(8(10,11)12)2-6-7(5)14
    -3-13-6/h1-3H,(H,13,14);
    HYTQERQCUFICAX-UHFFFAOYSA-N    		 c1c(cc(c2c1[nH]cn2)Br)C(F)(F)F; FC(F)(F)
    c1cc(Br)c2nc[nH]c2c1    		 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole
    39483
    UK0
    CHEMBL461615
    ZINC000028536305    		 1 C20 H28 O3 InChI=1S/C20H28O3/c1-14-7
    -10-20(3)16(18(21)22)5-4-
    6-17(20)19(14,2)11-8-15-9
    -12-23-13-15/h5,9,12-14,1
    7H,4,6-8,10-11H2,1-3H3,(H
    ,21,22)/t14-,17-,19+,20+/
    m1/s1;
    HHWOKJDCJVESIF-JBCDFXQESA-N    		 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C(O)=O)[C@
    @]1(C)CCc3cocc3; CC1CCC2(C(C1(C)CCc3ccoc
    3)CCC=C2C(=O)O)C; C[C@@H]1CC[C@@]2([C@@H
    ]([C@@]1(C)CCc3ccoc3)CCC=C2C(=O)O)C; C[C
    H]1CC[C]2(C)[CH](CCC=C2C(O)=O)[C]1(C)CCc
    3cocc3    		 (4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid
    39484
    UK1    		 1 C47 H49 F2 N11 O5 InChI=1S/C47H49F2N11O5/c1
    -8-9-37(42-51-45(62)65-53
    -42)59-34-11-10-30(55-18-
    19-64-47(5,6)25-55)22-29(
    34)23-38(59)44(61)56-15-1
    4-33-39(28(56)4)43(60(52-
    33)31-20-26(2)40(48)27(3)
    21-31)58-17-16-57(46(58)6
    3)36-13-12-35-32(41(36)49
    )24-50-54(35)7/h10-13,16-
    17,20-24,28,37H,8-9,14-15
    ,18-19,25H2,1-7H3,(H,51,5
    3,62)/t28-,37-/m0/s1;
    WUVYFHGOFAAJMK-AIJWEMPKSA-N    		 CCCC(C1=NOC(=O)N1)n2c3ccc(cc3cc2C(=O)N4C
    Cc5c(c(n(n5)c6cc(c(c(c6)C)F)C)N7C=CN(C7=
    O)c8ccc9c(c8F)cnn9C)C4C)N1CCOC(C1)(C)C;
    CCC[C@@H](C1=NOC(=O)N1)n2c3ccc(cc3cc2C(=
    O)N4CCc5c(c(n(n5)c6cc(c(c(c6)C)F)C)N7C=C
    N(C7=O)c8ccc9c(c8F)cnn9C)[C@@H]4C)N1CCOC
    (C1)(C)C; CCC[CH](n1c2ccc(cc2cc1C(=O)N3C
    Cc4nn(c5cc(C)c(F)c(C)c5)c(N6C=CN(C6=O)c7
    ccc8n(C)ncc8c7F)c4[CH]3C)N9CCOC(C)(C)C9)
    C%10=NOC(=O)N%10; c1(cc(cc(c1F)C)n7c(c2c
    (CCN(C2C)C(c5cc3c(ccc(c3)N4CCOC(C4)(C)C)
    n5C(CCC)C6=NOC(N6)=O)=O)n7)N8C=CN(C8=O)c
    9c(c%10c(cc9)n(C)nc%10)F)C; CCC[C@H](n1c
    2ccc(cc2cc1C(=O)N3CCc4nn(c5cc(C)c(F)c(C)
    c5)c(N6C=CN(C6=O)c7ccc8n(C)ncc8c7F)c4[C@
    @H]3C)N9CCOC(C)(C)C9)C%10=NOC(=O)N%10    		 3-{(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4H)-one
    39485
    UK2
    ZINC000169746924    		 13 C7 H8 B N O4 InChI=1S/C7H8BNO4/c1-5-2-
    3-6(8(10)11)4-7(5)9(12)13
    /h2-4,10-11H,1H3;
    OASVXBRTNVFKFS-UHFFFAOYSA-N    		 B(c1ccc(c(c1)[N+](=O)[O-])C)(O)O; Cc1ccc
    (cc1[N+]([O-])=O)B(O)O    		 (4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron
    39486
    UK3    		 0 C101 H135 F N16 O25 S InChI=1S/C101H135FN16O25S
    /c1-12-80-101(7)87(58(4)8
    2(124)56(2)47-79(139-10)8
    6(59(5)88(128)100(6,102)9
    8(137)141-80)142-97-85(12
    7)76(114(8)9)48-57(3)140-
    97)118(99(138)143-101)44-
    20-19-43-116-53-73(112-11
    3-116)61-25-21-26-63(50-6
    1)106-90(130)70(39-46-144
    -11)108-92(132)71(49-60-3
    5-37-64(120)38-36-60)110-
    91(131)69(31-15-16-40-103
    )109-94(134)75-32-24-45-1
    17(75)96(136)74(55-119)11
    1-93(133)72(51-62-52-105-
    68-30-14-13-27-65(62)68)1
    07-81(123)54-115(95(135)6
    7-29-23-34-78(122)84(67)1
    26)42-18-17-41-104-89(129
    )66-28-22-33-77(121)83(66
    )125/h13-14,21-23,25-30,3
    3-38,50,52-53,56-59,69-72
    ,74-76,79-80,85-87,97,105
    ,119-122,125-127H,12,15-2
    0,24,31-32,39-49,51,54-55
    ,103H2,1-11H3,(H,104,129)
    (H,106,130)(H,107,123)(H,
    108,132)(H,109,134)(H,110
    ,131)(H,111,133)/t56-,57-
    ,58+,59-,69-,70-,71-,72-,
    74-,75-,76+,79-,80-,85-,8
    6-,87-,97+,100+,101-/m1/s
    1;
    CELYJJFZBWFIMS-JTHPDSKOSA-N    		 CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)
    (C)F)C)OC3C(C(CC(O3)C)N(C)C)O)OC)C)C)N(C
    (=O)O2)CCCCn4cc(nn4)c5cccc(c5)NC(=O)C(CC
    SC)NC(=O)C(Cc6ccc(cc6)O)NC(=O)C(CCCCN)NC
    (=O)C7CCCN7C(=O)C(CO)NC(=O)C(Cc8c[nH]c9c
    8cccc9)NC(=O)CN(CCCCNC(=O)c1cccc(c1O)O)C
    (=O)c1cccc(c1O)O)C; CC[C@@H]1[C@@]2([C@@
    H]([C@H](C(=O)[C@@H](C[C@H]([C@@H]([C@H]
    (C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H](
    [C@H](C[C@H](O3)C)N(C)C)O)OC)C)C)N(C(=O)
    O2)CCCCn4cc(nn4)c5cccc(c5)NC(=O)[C@@H](C
    CSC)NC(=O)[C@@H](Cc6ccc(cc6)O)NC(=O)[C@@
    H](CCCCN)NC(=O)[C@H]7CCCN7C(=O)[C@@H](CO
    )NC(=O)[C@@H](Cc8c[nH]c9c8cccc9)NC(=O)CN
    (CCCCNC(=O)c1cccc(c1O)O)C(=O)c1cccc(c1O)
    O)C; CC[CH]1OC(=O)[C](C)(F)C(=O)[CH](C)[
    CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH
    ](C[CH](C)C(=O)[CH](C)[CH]3N(CCCCn4cc(nn
    4)c5cccc(NC(=O)[CH](CCSC)NC(=O)[CH](Cc6c
    cc(O)cc6)NC(=O)[CH](CCCCN)NC(=O)[CH]7CCC
    N7C(=O)[CH](CO)NC(=O)[CH](Cc8c[nH]c9cccc
    c89)NC(=O)CN(CCCCNC(=O)c%10cccc(O)c%10O)
    C(=O)c%11cccc(O)c%11O)c5)C(=O)O[C]13C)OC
    ; CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)
    [C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)
    N(C)C)[C@@H](C[C@@H](C)C(=O)[C@H](C)[C@H
    ]3N(CCCCn4cc(nn4)c5cccc(NC(=O)[C@@H](CCS
    C)NC(=O)[C@@H](Cc6ccc(O)cc6)NC(=O)[C@@H]
    (CCCCN)NC(=O)[C@H]7CCCN7C(=O)[C@@H](CO)N
    C(=O)[C@@H](Cc8c[nH]c9ccccc89)NC(=O)CN(C
    CCCNC(=O)c%10cccc(O)c%10O)C(=O)c%11cccc(
    O)c%11O)c5)C(=O)O[C@]13C)OC    		 (2~{R})-~{N}-[(2~{R})-6-azanyl-1-[[(2~{R})-1-[[(2~{R})-1-[[3-[1-[4-[(1~{S},2~{R},5~{S},7~{R},8~{R},9~{R},11~{R},13~{R},14~{R})-8-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-5-fluoranyl-9-methoxy-1,5,7,11,13-pentamethyl-4,6,12,16-tetrakis(oxidanylidene)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-15-yl]butyl]-1,2,3-triazol-4-yl]phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-1-[(2~{R})-2-[[(2~{R})-2-[2-[[2,3-bis(oxidanyl)phenyl]carbonyl-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl]amino]ethanoylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidine-2-carboxamide
    39487
    UK4
    CHEMBL4518483
    DB16043    		 4 C31 H30 F N5 O4 InChI=1S/C31H30FN5O4/c32-
    25-14-20(16-33)4-5-23(25)
    19-41-30-3-1-2-26(35-30)2
    1-8-11-36(12-9-21)18-29-3
    4-27-7-6-22(31(38)39)15-2
    8(27)37(29)17-24-10-13-40
    -24/h1-7,14-15,21,24H,8-1
    3,17-19H2,(H,38,39)/t24-/
    m0/s1;
    HYBAKUMPISVZQP-DEOSSOPVSA-N    		 OC(=O)c1ccc2nc(CN3CCC(CC3)c4cccc(OCc5ccc
    (cc5F)C#N)n4)n(C[CH]6CCO6)c2c1; c1cc(nc(
    c1)OCc2ccc(cc2F)C#N)C3CCN(CC3)Cc4nc5ccc(
    cc5n4CC6CCO6)C(=O)O; c1cc(nc(c1)OCc2ccc(
    cc2F)C#N)C3CCN(CC3)Cc4nc5ccc(cc5n4C[C@@H
    ]6CCO6)C(=O)O; OC(=O)c1ccc2nc(CN3CCC(CC3
    )c4cccc(OCc5ccc(cc5F)C#N)n4)n(C[C@@H]6CC
    O6)c2c1; C1OC(C1)Cn6c(CN4CCC(c3cccc(OCc2
    c(cc(cc2)C#N)F)n3)CC4)nc5c6cc(C(O)=O)cc5    		 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid
    39488
    UK5    		 1 C9 H7 N O2 InChI=1S/C9H7NO2/c11-9-5-
    6-10(12)8-4-2-1-3-7(8)9/h
    1-6,12H;
    AJTLULFWRGRNEZ-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)C=CN2O; ON1C=CC(=O)c2ccc
    cc12    		 1-oxidanylquinolin-4-one
    39489
    UK6    		 1 C20 H36 O2 InChI=1S/C20H36O2/c1-7-18
    (4,21)13-9-16-19(5)12-8-1
    1-17(2,3)15(19)10-14-20(1
    6,6)22/h7,15-16,21-22H,1,
    8-14H2,2-6H3/t15-,16+,18-
    ,19-,20+/m0/s1;
    XVULBTBTFGYVRC-HHUCQEJWSA-N    		 CC1(C)CCC[C]2(C)[CH]1CC[C](C)(O)[CH]2CC[
    C](C)(O)C=C; C[C@]12CCCC([C@@H]1CC[C@@](
    [C@@H]2CC[C@](C)(C=C)O)(C)O)(C)C; CC1(CC
    CC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C; CC1(C
    )CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2C
    C[C@@](C)(O)C=C    		 sclareol;
    (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(3R)-3-methyl-3-oxidanyl-pent-4-enyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;
    (13R)-Labd-14-ene-8,13-diol
    39490
    UK7
    CHEMBL4546073    		 4 C18 H19 N3 O S InChI=1S/C18H19N3OS/c19-1
    0-12-4-5-15-16(11-21(6-7-
    22)17(15)8-12)13-2-1-3-14
    (9-13)18(20)23/h1-5,8-9,1
    1,22H,6-7,10,19H2,(H2,20,
    23);
    CIMSFIOQZTXZEP-UHFFFAOYSA-N    		 c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CN)CCO
    ; C(=S)(N)c3cc(c2c1c(cc(cc1)CN)n(c2)CCO)
    ccc3; NCc1ccc2c(c1)n(CCO)cc2c3cccc(c3)C(
    N)=S    		 3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-yl]benzene-1-carbothioamide
    39491
    UK8
    CHEMBL5180168    		 1 C21 H13 Cl F3 N3 O4 InChI=1S/C21H13ClF3N3O4/c
    22-16-3-1-2-15(21(23,24)2
    5)17(16)18-14(19(32-28-18
    )12-8-26-27-9-12)10-31-13
    -6-4-11(5-7-13)20(29)30/h
    1-9H,10H2,(H,26,27)(H,29,
    30);
    OPIGXBQPAXXYLU-UHFFFAOYSA-N    		 OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F
    )F)c4c[nH]nc4)cc1; c1cc(c(c(c1)Cl)c2c(c(
    on2)c3c[nH]nc3)COc4ccc(cc4)C(=O)O)C(F)(F
    )F    		 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrazol-4-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid
    39492
    UK9    		 3 C15 H10 O4 InChI=1S/C15H10O4/c16-11-
    7-6-10-12(17)8-13(19-15(1
    0)14(11)18)9-4-2-1-3-5-9/
    h1-8,16,18H;
    COCYGNDCWFKTMF-UHFFFAOYSA-N    		 c1ccc(cc1)C2=CC(=O)c3ccc(c(c3O2)O)O; Oc1
    ccc2C(=O)C=C(Oc2c1O)c3ccccc3    		 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one
    39493
    UKA
    CHEMBL1096896
    DB12691
    ZINC000095539256    		 5 C40 H47 N11 O6 InChI=1S/C40H47N11O6/c1-2
    -41-37(54)33-31(52)32(53)
    39(57-33)51-24-46-30-34(4
    5-23-28(25-11-5-3-6-12-25
    )26-13-7-4-8-14-26)48-35(
    49-36(30)51)38(55)43-19-2
    0-44-40(56)47-27-16-21-50
    (22-17-27)29-15-9-10-18-4
    2-29/h3-15,18,24,27-28,31
    -33,39,52-53H,2,16-17,19-
    23H2,1H3,(H,41,54)(H,43,5
    5)(H2,44,47,56)(H,45,48,4
    9)/t31-,32+,33-,39+/m0/s1;
    ZOTHAEBAWXWVID-HXEFRTELSA-N    		 CCNC(=O)C1C(C(C(O1)n2cnc3c2nc(nc3NCC(c4c
    cccc4)c5ccccc5)C(=O)NCCNC(=O)NC6CCN(CC6)
    c7ccccn7)O)O; CCNC(=O)[CH]1O[CH]([CH](O)
    [CH]1O)n2cnc3c(NCC(c4ccccc4)c5ccccc5)nc(
    nc23)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7;
    O=C(NC2CCN(c1ncccc1)CC2)NCCNC(=O)c3nc(c4
    ncn(c4n3)C5OC(C(=O)NCC)C(O)C5O)NCC(c6ccc
    cc6)c7ccccc7; CCNC(=O)[C@@H]1[C@H]([C@H]
    ([C@@H](O1)n2cnc3c2nc(nc3NCC(c4ccccc4)c5
    ccccc5)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7
    )O)O; CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H
    ]1O)n2cnc3c(NCC(c4ccccc4)c5ccccc5)nc(nc2
    3)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7    		 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide
    39494
    UKB
    CHEMBL5177875    		 1 C22 H13 Cl F4 N2 O4 InChI=1S/C22H13ClF4N2O4/c
    23-16-3-1-2-15(22(25,26)2
    7)18(16)19-14(20(33-29-19
    )11-6-7-28-9-11)10-32-12-
    4-5-13(21(30)31)17(24)8-1
    2/h1-9,28H,10H2,(H,30,31);
    WKGLEAWUJDYKCF-UHFFFAOYSA-N    		 OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F
    )F)c4c[nH]cc4)cc1F; c1cc(c(c(c1)Cl)c2c(c
    (on2)c3cc[nH]c3)COc4ccc(c(c4)F)C(=O)O)C(
    F)(F)F    		 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]-2-fluoranyl-benzoic acid
    39495
    UKC
    CHEMBL42906
    ZINC000000005563    		 0 C17 H17 N5 O InChI=1S/C17H17N5O/c1-4-2
    1-15-12(6-5-9-18-15)16-19
    -10-11(2)22(16)13-7-8-14(
    23-3)20-17(13)21/h5-10H,4
    H2,1-3H3;
    WCIBELXOPRCLEG-UHFFFAOYSA-N    		 CCN1c2c(cccn2)-c3ncc(n3-c4c1nc(cc4)OC)C;
    CCN1c2nc(OC)ccc2n3c(C)cnc3c4cccnc14; n3
    c(OC)ccc4n1c(ncc1C)c2cccnc2N(c34)CC    		 8-ETHYL-6-METHOXY-3-METHYL-8H-1,3A,7,8,9-PENTAAZA-DIBENZO[E,H]AZULENE
    39496
    UKD    		 0 C5 H9 N4 O5 P InChI=1S/C5H9N4O5P/c6-3(5
    (10)11)1-9-2-4(7-8-9)15(1
    2,13)14/h2-3H,1,6H2,(H,10
    ,11)(H2,12,13,14)/t3-/m0/
    s1;
    ANOPRINJTAMRJE-VKHMYHEASA-N    		 c1c(nnn1CC(C(=O)O)N)P(=O)(O)O; c1c(nnn1C
    [C@@H](C(=O)O)N)P(=O)(O)O; N[C@@H](Cn1cc
    (nn1)[P](O)(O)=O)C(O)=O; OP(=O)(O)c1nnn(
    c1)CC(N)C(O)=O; N[CH](Cn1cc(nn1)[P](O)(O
    )=O)C(O)=O    		 3-(4-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine;
    pHis
    39497
    UKE
    ZINC000072338580    		 1 C9 H7 N O4 InChI=1S/C9H7NO4/c1-13-5-
    2-3-7-6(4-5)10-8(14-7)9(1
    1)12/h2-4H,1H3,(H,11,12);
    SNQUKJWKYRHONV-UHFFFAOYSA-N    		 COc1ccc2c(c1)nc(o2)C(=O)O; COc1ccc2oc(nc
    2c1)C(O)=O    		 5-methoxy-1,3-benzoxazole-2-carboxylic acid;
    5-Methoxybenzo[d]oxazole-2-carboxylic acid
    39498
    UKF    		 2 C24 H35 N5 O7 InChI=1S/C24H35N5O7/c30-1
    4-19-21(32)22(33)20(31)13
    -28(19)11-4-2-1-3-10-25-1
    7-9-8-16(12-18(17)29(34)3
    5)23-26-24(36-27-23)15-6-
    5-7-15/h8-9,12,15,19-22,2
    5,30-33H,1-7,10-11,13-14H
    2/t19-,20+,21-,22-/m1/s1;
    QTIHMFZOPONAII-CIAFKFPVSA-N    		 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC
    CCCCNc2ccc(cc2[N+]([O-])=O)c3noc(n3)C4CC
    C4; c1cc(c(cc1c2nc(on2)C3CCC3)[N+](=O)[O
    -])NCCCCCCN4CC(C(C(C4CO)O)O)O; OC[CH]1[C
    H](O)[CH](O)[CH](O)CN1CCCCCCNc2ccc(cc2[N
    +]([O-])=O)c3noc(n3)C4CCC4; OCC1C(O)C(O)
    C(O)CN1CCCCCCNc1ccc(cc1[N+]([O-])=O)c1nc
    (on1)C1CCC1; c1cc(c(cc1c2nc(on2)C3CCC3)[
    N+](=O)[O-])NCCCCCCN4C[C@@H]([C@H]([C@@H
    ]([C@H]4CO)O)O)O    		 (2R,3R,4R,5S)-1-(6-{[(4P)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
    39499
    UKG    		 2 C11 H7 Br Cl N5 O2 S2 InChI=1S/C11H7BrClN5O2S2/
    c12-8-5-9(21-10(8)13)22(1
    9,20)16-7-3-1-2-6(4-7)11-
    14-17-18-15-11/h1-5,16H,(
    H,14,15,17,18);
    LKCZAUKSYHEDJR-UHFFFAOYSA-N    		 Clc1sc(cc1Br)[S](=O)(=O)Nc2cccc(c2)c3[nH
    ]nnn3; c1cc(cc(c1)NS(=O)(=O)c2cc(c(s2)Cl
    )Br)c3[nH]nnn3    		 4-bromanyl-5-chloranyl-~{N}-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide
    39500
    UKH
    CHEMBL91108
    ZINC000169743514    		 10 C6 H6 B N O4 InChI=1S/C6H6BNO4/c9-7(10
    )5-1-3-6(4-2-5)8(11)12/h1
    -4,9-10H;
    NSFJAFZHYOAMHL-UHFFFAOYSA-N    		 OB(O)c1ccc(cc1)[N+]([O-])=O; B(c1ccc(cc1
    )[N+](=O)[O-])(O)O    		 p-nitrophenylboronic acid;
    (4-nitrophenyl)boronic acid
    39501
    UKI    		 3 C24 H28 N6 O3 S InChI=1S/C24H28N6O3S/c1-1
    7-13-19-15-21(7-8-22(19)2
    7-17)33-23-9-10-25-24(29-
    23)28-20-6-4-5-18(14-20)1
    6-34(31,32)26-11-12-30(2)
    3/h4-10,13-15,26-27H,11-1
    2,16H2,1-3H3,(H,25,28,29);
    TTZSNFLLYPYKIL-UHFFFAOYSA-N    		 CN(C)CCN[S](=O)(=O)Cc1cccc(Nc2nccc(Oc3cc
    c4[nH]c(C)cc4c3)n2)c1; Cc1cc2cc(ccc2[nH]
    1)Oc3ccnc(n3)Nc4cccc(c4)CS(=O)(=O)NCCN(C
    )C    		 Sulfatinib;
    N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide
    39502
    UKJ    		 1 C13 H7 Br F3 N O5 S InChI=1S/C13H7BrF3NO5S/c1
    4-7-3-8(15)5-9(4-7)23-12-
    2-1-10(6-11(12)18(19)20)2
    4(21,22)13(16)17/h1-6,13H;
    DRYZYPGPBXQGKZ-UHFFFAOYSA-N    		 [O-][N+](c1c(ccc(c1)S(C(F)F)(=O)=O)Oc2cc
    (Br)cc(c2)F)=O; [O-][N+](=O)c1cc(ccc1Oc2
    cc(F)cc(Br)c2)[S](=O)(=O)C(F)F; c1cc(c(c
    c1S(=O)(=O)C(F)F)[N+](=O)[O-])Oc2cc(cc(c
    2)Br)F    		 1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene
    39503
    UKK
    ZINC000000158925    		 1 C11 H10 N2 O InChI=1S/C11H10N2O/c12-9-
    6-7-11(13-8-9)14-10-4-2-1
    -3-5-10/h1-8H,12H2;
    DETKIRMPBJPJRQ-UHFFFAOYSA-N    		 c1ccc(cc1)Oc2ccc(cn2)N; Nc1ccc(Oc2ccccc2
    )nc1    		 6-phenoxy-3-pyridinamine;
    6-phenoxypyridin-3-amine
    39504
    UKL    		 1 C37 H66 N7 O17 P3 S InChI=1S/C37H66N7O17P3S/c
    1-4-5-6-7-8-9-10-11-12-13
    -14-15-16-26(45)22-65-20-
    19-39-28(46)17-18-40-35(4
    9)32(48)37(2,3)23-58-64(5
    5,56)61-63(53,54)57-21-27
    -31(60-62(50,51)52)30(47)
    36(59-27)44-25-43-29-33(3
    8)41-24-42-34(29)44/h24-2
    5,27,30-32,36,47-48H,4-23
    H2,1-3H3,(H,39,46)(H,40,4
    9)(H,53,54)(H,55,56)(H2,3
    8,41,42)(H2,50,51,52)/t27
    -,30-,31-,32+,36-/m1/s1;
    IAOAEHHNNYJGNY-WOQKIVQTSA-N    		 CCCCCCCCCCCCCCC(=O)CSCCNC(=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)n2
    cnc3c(N)ncnc23; CCCCCCCCCCCCCCC(=O)CSCCN
    C(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)
    (O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(
    O)O; CCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=
    O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(
    O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCCCCC
    CCCCCCCCC(=O)CSCCNC(=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; CCCCCCCCCCCCCCC(=O)CSCCNC(=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)n2
    cnc3c(N)ncnc23    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxohexadecyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)
    39505
    UKM
    ZINC000006381313    		 2 C4 H10 O4 S InChI=1S/C4H10O4S/c1-2-3-
    4(5)9(6,7)8/h4-5H,2-3H2,1
    H3,(H,6,7,8)/t4-/m1/s1;
    KMBRJVMBQNMRDM-SCSAIBSYSA-N    		 CCC[C@H](O)[S](O)(=O)=O; CCC[CH](O)[S](O
    )(=O)=O; CCCC(O)S(=O)(=O)O; CCC[C@H](O)S
    (=O)(=O)O; C(CCC)(O)S(=O)(O)=O    		 (1R)-1-hydroxybutane-1-sulfonic acid
    39506
    UKN    		 1 C12 H8 Cl F N2 O4 InChI=1S/C12H8ClFN2O4/c13
    -7-3-1-6(2-4-7)5-20-11(18
    )9-8(14)10(17)16-12(19)15
    -9/h1-4H,5H2,(H2,15,16,17
    ,19);
    QEEOXIYGELWSIT-UHFFFAOYSA-N    		 FC1=C(NC(=O)NC1=O)C(=O)OCc2ccc(Cl)cc2; c
    1cc(ccc1COC(=O)C2=C(C(=O)NC(=O)N2)F)Cl;
    O=C1NC(C(=O)OCc2ccc(Cl)cc2)=C(F)C(=O)N1    		 (4-chlorophenyl)methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
    39507
    UKO    		 2 C14 H18 N4 O3 S2 InChI=1S/C14H18N4O3S2/c15
    -13-10(3-1-7-16-23(20,21)
    11-5-6-11)9-18(14(19)17-1
    3)12-4-2-8-22-12/h9,11-12
    ,16H,2,4-8H2,(H2,15,17,19
    )/t12-/m1/s1;
    DXQFIQXYAWBCLC-GFCCVEGCSA-N    		 NC1=NC(=O)N(C=C1C#CCN[S](=O)(=O)C2CC2)[C
    H]3CCCS3; NC1=NC(=O)N(C=C1C#CCN[S](=O)(=
    O)C2CC2)[C@H]3CCCS3; C1C[C@@H](SC1)N2C=C
    (C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3; C1CC(SC
    1)N2C=C(C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3    		 ~{N}-[3-[4-azanyl-2-oxidanylidene-1-[(2~{R})-thiolan-2-yl]pyrimidin-5-yl]prop-2-ynyl]cyclopropanesulfonamide
    39508
    UKP
    CHEMBL212616
    DB04172
    ZINC000014881108    		 1 C32 H48 N6 O4 S InChI=1S/C32H48N6O4S/c1-2
    0(2)25-18-26(21(3)4)30(27
    (19-25)22(5)6)43(41,42)36
    -28(17-23-8-7-9-24(16-23)
    31(34)35)32(40)38-14-12-3
    7(13-15-38)29(39)10-11-33
    /h7-9,16,18-22,28,36H,10-
    15,17,33H2,1-6H3,(H3,34,3
    5)/t28-/m0/s1;
    WATXEHGLYJKXOF-NDEPHWFRSA-N    		 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)[S](=O)(=O)
    N[C@@H](Cc2cccc(c2)C(N)=N)C(=O)N3CCN(CC3
    )C(=O)CCN; CC(C)c1cc(C(C)C)c(c(c1)C(C)C)
    [S](=O)(=O)N[CH](Cc2cccc(c2)C(N)=N)C(=O)
    N3CCN(CC3)C(=O)CCN; CC(C)c1cc(c(c(c1)C(C
    )C)S(=O)(=O)NC(Cc2cccc(c2)C(=N)N)C(=O)N3
    CCN(CC3)C(=O)CCN)C(C)C; O=C(N3CCN(C(=O)C
    (NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C
    c2cc(C(=[N@H])N)ccc2)CC3)CCN; CC(C)c1cc(
    c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc2cccc(c2
    )C(=N)N)C(=O)N3CCN(CC3)C(=O)CCN)C(C)C    		 [2,4,6-TRIISOPROPYL-PHENYLSULFONYL-L-[3-AMIDINO-PHENYLALANINYL]]-N'-BETA-ALANINYL-PIPERAZINE;
    [2,4,6-TRIISOPROPYL-PHENYLSULFONYL-L-[3-AMIDINO-PHENYLALANINE]]-PIPERAZINE-N'-BETA-ALANINE
    39509
    UKQ    		 1 C7 H12 O5 InChI=1S/C7H12O5/c8-1-2-3
    (9)4(10)5(11)7-6(2)12-7/h
    2-11H,1H2/t2-,3-,4+,5+,6+
    ,7-/m1/s1;
    YQLWKYQDOQEWRD-BYNCVWKDSA-N    		 OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[CH]12
    ; C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2[C
    @H]1O2)O)O)O)O; OC[C@@H]1[C@@H](O)[C@H](
    O)[C@H](O)[C@H]2O[C@@H]12; C(C1C(C(C(C2C
    1O2)O)O)O)O    		 (1R,6S)-5beta-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2beta,3beta,4alpha-triol;
    (1~{R},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol;
    epi-manno-cyclophellitol
    39510
    UKR
    CHEMBL5280882    		 6 C31 H40 F2 N2 O4 S InChI=1S/C31H40F2N2O4S/c3
    2-26-6-8-28(9-7-26)40(38,
    39)17-12-23-10-15-34(16-1
    1-23)19-25-20-35(22-31(30
    (36)37)13-1-2-14-31)21-29
    (25)24-4-3-5-27(33)18-24/
    h3-9,18,23,25,29H,1-2,10-
    17,19-22H2,(H,36,37)/t25-
    ,29+/m0/s1;
    JLKKIAYYHXNZIY-ABYGYWHVSA-N    		 Fc1ccc(cc1)S(=O)(=O)CCC1CCN(CC1)CC1CN(CC
    2(CCCC2)C(=O)O)CC1c1cccc(F)c1; OC(=O)C1(
    CCCC1)CN2C[CH](CN3CCC(CC3)CC[S](=O)(=O)c
    4ccc(F)cc4)[CH](C2)c5cccc(F)c5; c1cc(cc(
    c1)F)C2CN(CC2CN3CCC(CC3)CCS(=O)(=O)c4ccc
    (cc4)F)CC5(CCCC5)C(=O)O; c1cc(cc(c1)F)[C
    @H]2CN(C[C@@H]2CN3CCC(CC3)CCS(=O)(=O)c4c
    cc(cc4)F)CC5(CCCC5)C(=O)O; OC(=O)C1(CCCC
    1)CN2C[C@H](CN3CCC(CC3)CC[S](=O)(=O)c4cc
    c(F)cc4)[C@H](C2)c5cccc(F)c5    		 1-{[(3S,4S)-3-({4-[2-(4-fluorobenzene-1-sulfonyl)ethyl]piperidin-1-yl}methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid
    39511
    UKS
    CHEMBL4876525    		 2 C20 H27 B N4 O4 InChI=1S/C20H27BN4O4/c1-2
    -7-16(24-20(27)17-14-22-1
    2-13-23-17)19(26)25-18(21
    (28)29)11-6-10-15-8-4-3-5
    -9-15/h3-5,8-9,12-14,16,1
    8,28-29H,2,6-7,10-11H2,1H
    3,(H,24,27)(H,25,26)/t16-
    ,18+/m1/s1;
    KSQVGVMZECCPAT-AEFFLSMTSA-N    		 CCC[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](CC
    Cc2ccccc2)B(O)O; B([C@H](CCCc1ccccc1)NC(
    =O)[C@@H](CCC)NC(=O)c2cnccn2)(O)O; CCC[C
    H](NC(=O)c1cnccn1)C(=O)N[CH](CCCc2ccccc2
    )B(O)O; B(C(CCCc1ccccc1)NC(=O)C(CCC)NC(=
    O)c2cnccn2)(O)O; C(CCC)(NC(c1cnccn1)=O)C
    (=O)NC(B(O)O)CCCc2ccccc2    		 [(1R)-4-phenyl-1-{[N-(pyrazine-2-carbonyl)-D-norvalyl]amino}butyl]boronic acid
    39512
    UKT    		 1 C7 H14 O5 InChI=1S/C7H14O5/c8-2-3-4
    (9)1-5(10)7(12)6(3)11/h3-
    12H,1-2H2/t3-,4+,5+,6+,7+
    /m0/s1;
    RRGKETGQYFXIFR-CQOGJGKDSA-N    		 OC[CH]1[CH](O)C[CH](O)[CH](O)[CH]1O; C1[
    C@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO
    )O; C1C(C(C(C(C1O)O)O)CO)O; OC[C@H]1[C@H
    ](O)C[C@@H](O)[C@@H](O)[C@@H]1O    		 (1R,2R,3R,4S,5R)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol;
    (1~{R},2~{R},3~{R},4~{S},5~{R})-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol
    39513
    UKU    		 2 C21 H34 N6 O16 P2 InChI=1S/C21H34N6O16P2/c1
    -7(2)12(30)15(33)19(34)26
    -45(38,39)42-10-3-8(29)20
    (41-10)27-6-24-11-17(22-5
    -23-18(11)27)25-44(36,37)
    43-16-14(32)13(31)9(4-28)
    40-21(16)35/h5-10,12-16,2
    0-21,28-33,35H,3-4H2,1-2H
    3,(H2,26,34,38,39)(H2,22,
    23,25,36,37)/t8-,9+,10+,1
    2-,13+,14-,15+,16+,20+,21
    -/m0/s1;
    KOMSNTWZRZGGEF-IPMHYPRDSA-N    		 CC(C)[CH](O)[CH](O)C(=O)N[P](O)(=O)O[CH]
    1C[CH](O)[CH](O1)n2cnc3c(N[P](O)(=O)O[CH
    ]4[CH](O)O[CH](CO)[CH](O)[CH]4O)ncnc23;
    CC(C)[C@H](O)[C@@H](O)C(=O)N[P](O)(=O)O[
    C@@H]1C[C@H](O)[C@@H](O1)n2cnc3c(N[P](O)
    (=O)O[C@H]4[C@@H](O)O[C@H](CO)[C@@H](O)[
    C@@H]4O)ncnc23; CC(C)[C@@H]([C@H](C(=O)N
    P(=O)(O)O[C@@H]1C[C@@H]([C@@H](O1)n2cnc3
    c2ncnc3NP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@
    H](O[C@@H]4O)CO)O)O)O)O)O; CC(C)C(C(C(=O
    )NP(=O)(O)OC1CC(C(O1)n2cnc3c2ncnc3NP(=O)
    (O)OC4C(C(C(OC4O)CO)O)O)O)O)O    		 [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-N-[9-[(2R,3S,5R)-5-[[[(2R,3S)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid;
    Agrocin 84 (alpha-D-glucopyranose form)
    39514
    UKV
    CHEMBL402427
    ZINC000016989176    		 2 C11 H9 N O2 S2 InChI=1S/C11H9NO2S2/c1-14
    -8-4-2-3-7(5-8)6-9-10(13)
    12-11(15)16-9/h2-6H,1H3,(
    H,12,13,15)/b9-6-;
    ZXBRDIMYFRPBGK-TWGQIWQCSA-N    		 COc1cccc(c1)C=C2C(=O)NC(=S)S2; COc1cccc(
    c1)/C=C\2/C(=O)NC(=S)S2; COc2cccc([C@H]=
    C1C(NC(S1)=S)=O)c2; COc1cccc(c1)/C=C/2SC
    (=S)NC/2=O; COc1cccc(c1)C=C2SC(=S)NC2=O    		 (5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
    39515
    UKW
    ZINC000058649341    		 5 C13 H12 N2 O4 InChI=1S/C13H12N2O4/c1-3-
    9-4-6-10(7-5-9)12(17)14-1
    1(8(2)16)13(18)15-19/h1,4
    -8,11,16H,2H3,(H,14,17)/t
    8-,11+/m1/s1;
    JJXZDQZGPLQGCP-KCJUWKMLSA-N    		 C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C
    #C)O; C[CH](O)[CH](NC(=O)c1ccc(cc1)C#C)C
    (=O)N=O; O=C(NC(C(=O)N=O)C(O)C)c1ccc(C#C
    )cc1; CC(C(C(=O)N=O)NC(=O)c1ccc(cc1)C#C)
    O; C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#C)C
    (=O)N=O    		 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide
    39516
    UKX    		 5 C8 H14 N2 O2 InChI=1S/C8H14N2O2/c1-2-6
    (8(9)12)10-5-3-4-7(10)11/
    h6H,2-5H2,1H3,(H2,9,12)/t
    6-/m0/s1;
    HPHUVLMMVZITSG-LURJTMIESA-N    		 CC[CH](N1CCCC1=O)C(N)=O; CC[C@H](N1CCCC1
    =O)C(N)=O; CCC(C(=O)N)N1CCCC1=O; CC[C@@H
    ](C(=O)N)N1CCCC1=O    		 (2S)-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide;
    levetiracetam
    39517
    UKY    		 0 C5 H9 N4 O5 P InChI=1S/C5H9N4O5P/c6-3(5
    (10)11)2-9-4(1-7-8-9)15(1
    2,13)14/h1,3H,2,6H2,(H,10
    ,11)(H2,12,13,14)/t3-/m0/
    s1;
    HPSKGWJBNSTWIZ-VKHMYHEASA-N    		 c1c(n(nn1)CC(C(=O)O)N)P(=O)(O)O; c1c(n(n
    n1)C[C@@H](C(=O)O)N)P(=O)(O)O; N[CH](Cn1
    nncc1[P](O)(O)=O)C(O)=O; N[C@@H](Cn1nncc
    1[P](O)(O)=O)C(O)=O; C(O)(C(N)Cn1c(P(=O)
    (O)O)cnn1)=O    		 3-(5-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine
    39518
    UKZ
    CHEMBL4875583    		 1 C21 H23 Cl N2 O3 InChI=1S/C21H23ClN2O3/c1-
    3-6-18(20(26)13-7-4-9-16(
    22)12(13)2)24-21(27)14-8-
    5-10-17-15(14)11-19(25)23
    -17/h4-5,7-10,18,20,26H,3
    ,6,11H2,1-2H3,(H,23,25)(H
    ,24,27)/t18-,20+/m1/s1;
    MQQHOEONXLJMLA-QUCCMNQESA-N    		 CCC[C@@H](NC(=O)c1cccc2NC(=O)Cc12)[C@@H]
    (O)c3cccc(Cl)c3C; CCC[C@H]([C@H](c1cccc(
    c1C)Cl)O)NC(=O)c2cccc3c2CC(=O)N3; CCCC(C
    (c1cccc(c1C)Cl)O)NC(=O)c2cccc3c2CC(=O)N3
    ; CCC[CH](NC(=O)c1cccc2NC(=O)Cc12)[CH](O
    )c3cccc(Cl)c3C    		 N-((1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide;
    ~{N}-[(1~{S},2~{R})-1-(3-chloranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide;
    N-[(1S,2R)-1-(3-chloranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide
    39519
    UL0
    CHEMBL5271123    		 6 C32 H47 F N4 O2 InChI=1S/C32H47FN4O2/c1-4
    -27-29(5-2)34-37(6-3)30(2
    7)23-12-16-35(17-13-23)19
    -25-20-36(22-32(31(38)39)
    14-7-8-15-32)21-28(25)24-
    10-9-11-26(33)18-24/h9-11
    ,18,23,25,28H,4-8,12-17,1
    9-22H2,1-3H3,(H,38,39)/t2
    5-,28+/m0/s1;
    PCCHYTAFAXFIAW-LBNVMWSVSA-N    		 CCc1nn(CC)c(c1CC)C1CCN(CC2CN(CC3(CCCC3)C
    (=O)O)CC2c2cccc(F)c2)CC1; CCc1c(nn(c1C2C
    CN(CC2)CC3CN(CC3c4cccc(c4)F)CC5(CCCC5)C(
    =O)O)CC)CC; CCn1nc(CC)c(CC)c1C2CCN(CC2)C
    [C@H]3CN(C[C@@H]3c4cccc(F)c4)CC5(CCCC5)C
    (O)=O; CCc1c(nn(c1C2CCN(CC2)C[C@H]3CN(C[
    C@@H]3c4cccc(c4)F)CC5(CCCC5)C(=O)O)CC)CC
    ; CCn1nc(CC)c(CC)c1C2CCN(CC2)C[CH]3CN(C[
    CH]3c4cccc(F)c4)CC5(CCCC5)C(O)=O    		 1-{[(3S,4S)-3-(3-fluorophenyl)-4-{[4-(1,3,4-triethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl}pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid
    39520
    UL1
    CHEMBL255130
    ZINC000001236992    		 2 C12 H11 N O3 S2 InChI=1S/C12H11NO3S2/c1-1
    5-8-4-3-7(5-9(8)16-2)6-10
    -11(14)13-12(17)18-10/h3-
    6H,1-2H3,(H,13,14,17)/b10
    -6-;
    XVAIHVYMCLRIOV-POHAHGRESA-N    		 COc1ccc(cc1OC)C=C2C(=O)NC(=S)S2; COc1ccc
    (cc1OC)/C=C\2/C(=O)NC(=S)S2; COc1ccc(cc1
    OC)\C=C\2SC(=S)NC\2=O; COc1ccc(cc1OC)C=C
    2SC(=S)NC2=O; COc2ccc([C@H]=C1C(=O)NC(=S
    )S1)cc2OC    		 (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
    39521
    UL2
    CHEMBL4869401    		 1 C20 H22 N2 O4 InChI=1S/C20H22N2O4/c1-3-
    6-15(18(23)14-8-5-4-7-12(
    14)2)21-19(24)13-9-10-17-
    16(11-13)22-20(25)26-17/h
    4-5,7-11,15,18,23H,3,6H2,
    1-2H3,(H,21,24)(H,22,25)/
    t15-,18+/m1/s1;
    SNFRXTGIONJORR-QAPCUYQASA-N    		 CCCC(C(c1ccccc1C)O)NC(=O)c2ccc3c(c2)NC(=
    O)O3; CCC[C@H]([C@H](c1ccccc1C)O)NC(=O)c
    2ccc3c(c2)NC(=O)O3; CCC[C@@H](NC(=O)c1cc
    c2OC(=O)Nc2c1)[C@@H](O)c3ccccc3C; CCC[CH
    ](NC(=O)c1ccc2OC(=O)Nc2c1)[CH](O)c3ccccc
    3C    		 N-((1S,2R)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide;
    ~{N}-[(1~{S},2~{R})-1-(2-methylphenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-3~{H}-1,3-benzoxazole-5-carboxamide;
    N-[(1S,2R)-1-(2-methylphenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-3H-1,3-benzoxazole-5-carboxamide
    39522
    UL4
    CHEMBL3770150
    ZINC000263620456    		 1 C18 H17 N O5 InChI=1S/C18H17NO5/c1-3-2
    4-16-8-7-12(11(2)20)10-15
    (16)19-17(21)13-5-4-6-14(
    9-13)18(22)23/h4-10H,3H2,
    1-2H3,(H,19,21)(H,22,23);
    GFOBMGVVDGTGAJ-UHFFFAOYSA-N    		 CCOc1ccc(cc1NC(=O)c2cccc(c2)C(=O)O)C(=O)
    C; CCOc1ccc(cc1NC(=O)c2cccc(c2)C(O)=O)C(
    C)=O; O=C(O)c1cccc(c1)C(=O)Nc2cc(ccc2OCC
    )C(=O)C    		 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid
    39523
    UL5
    CHEMBL4849578    		 1 C19 H21 N3 O2 InChI=1S/C19H21N3O2/c1-12
    -8-16(12)22-18(23)14-10-1
    5(9-13-6-4-3-5-7-13)21-17
    (11-14)19(24)20-2/h3-7,10
    -12,16H,8-9H2,1-2H3,(H,20
    ,24)(H,22,23)/t12-,16-/m0
    /s1;
    QEPZFLZVHFIDCF-LRDDRELGSA-N    		 CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)N[C@H]3
    C[C@@H]3C; C[C@H]1C[C@@H]1NC(=O)c2cc(nc(
    c2)C(=O)NC)Cc3ccccc3; CNC(=O)c1cc(cc(Cc2
    ccccc2)n1)C(=O)N[CH]3C[CH]3C; CC1CC1NC(=
    O)c2cc(nc(c2)C(=O)NC)Cc3ccccc3    		 ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide
    39524
    UL6    		 1 C13 H23 N O8 InChI=1S/C13H23NO8/c1-7(1
    6)14-10-12(18)11(17)9(4-1
    5)22-13(10)21-6-8-5-19-2-
    3-20-8/h8-13,15,17-18H,2-
    6H2,1H3,(H,14,16)/t8-,9+,
    10+,11+,12+,13+/m0/s1;
    WYEPHXYJGRPYCT-ZRFFIENRSA-N    		 CC(=O)NC1C(C(C(OC1OCC2COCCO2)CO)O)O; CC(
    =O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[
    C@@H]2COCCO2)CO)O)O; CC(=O)N[C@@H]1[C@@H
    ](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@@H]2CO
    CCO2; CC(=O)NC1C(O)C(O)C(CO)OC1OCC1COCCO
    1; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[C
    H]1OC[CH]2COCCO2    		 [(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
    39525
    UL7
    CHEMBL2335188
    ZINC000095591903    		 2 C17 H24 Br Cl N2 O2 InChI=1S/C17H24BrClN2O2/c
    18-16-10-13(19)9-12(17(16
    )23)11-20-5-1-14(2-6-20)2
    1-7-3-15(22)4-8-21/h9-10,
    14-15,22-23H,1-8,11H2;
    UPKDBIXMTVKMCL-UHFFFAOYSA-N    		 c1c(cc(c(c1CN2CCC(CC2)N3CCC(CC3)O)O)Br)C
    l; OC1CCN(CC1)C2CCN(CC2)Cc3cc(Cl)cc(Br)c
    3O    		 1-{1-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl piperidin-4-yl}piperidin-4-ol]
    39526
    UL8
    CHEMBL4871396    		 1 C20 H22 N4 O2 InChI=1S/C20H22N4O2/c1-4-
    21-20(25)16-10-11-19(17(1
    2-16)18-13-24(3)23-22-18)
    26-14(2)15-8-6-5-7-9-15/h
    5-14H,4H2,1-3H3,(H,21,25)
    /t14-/m0/s1;
    VZVLEUYPQRNNJB-AWEZNQCLSA-N    		 CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OC(C)c3ccc
    cc3; CCNC(=O)c1ccc(O[CH](C)c2ccccc2)c(c1
    )c3cn(C)nn3; CCNC(=O)c1ccc(O[C@@H](C)c2c
    cccc2)c(c1)c3cn(C)nn3; CCNC(=O)c1ccc(c(c
    1)c2cn(nn2)C)O[C@@H](C)c3ccccc3    		 ~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{S})-1-phenylethoxy]benzamide
    39527
    UL9
    CHEMBL233248
    ZINC000001687017    		 4 C4 H5 N S InChI=1S/C4H5NS/c1-2-3-5-
    4-6/h2H,1,3H2;
    ZOJBYZNEUISWFT-UHFFFAOYSA-N    		 C=CCN=C=S; C=CC\N=C=S 3-isothiocyanatoprop-1-ene
    39528
    ULA
    DB03021    		 1 C46 H66 N4 O13 InChI=1S/C46H66N4O13/c1-2
    7(16-17-38(55)30(4)44(62-
    32(6)52)28(2)18-19-50(7)2
    6-51)40(58-9)22-41-31(5)3
    9(57-8)14-11-15-42-47-36(
    24-59-42)45-49-37(25-61-4
    5)46-48-35(23-60-46)29(3)
    20-33(53)12-10-13-34(54)2
    1-43(56)63-41/h11,15,18-1
    9,23-25,27-31,34,39-41,44
    ,51,54H,10,12-14,16-17,20
    -22,26H2,1-9H3/b15-11+,19
    -18?/t27-,28?,29-,30+,31+
    ,34-,39-,40-,41-,44?/m0/s
    1;
    DIOFXPZEAVIPDB-GSMFZUCRSA-N    		 CC1CC(=O)CCCC(CC(=O)OC(C(C(CC=Cc2nc(co2)
    -c3nc(co3)-c4nc1co4)OC)C)CC(C(C)CCC(=O)C
    (C)C(C(C)C=CN(C)CO)OC(=O)C)OC)O; C[C@H]1
    CC(=O)CCC[C@@H](CC(=O)O[C@H]([C@@H]([C@H
    ](C\C=C\c2nc(co2)-c3nc(co3)-c4nc1co4)OC)
    C)C[C@@H]([C@@H](C)CCC(=O)[C@@H](C)[C@H]
    ([C@H](C)C=C[N@](C)CO)OC(=O)C)OC)O; CO[C
    @@H](C[C@@H]1OC(=O)C[C@@H](O)CCCC(=O)C[C
    @H](C)c2coc(n2)c3coc(n3)c4coc(\C=C\C[C@H
    ](OC)[C@H]1C)n4)[C@@H](C)CCC(=O)[C@@H](C
    )C(OC(C)=O)C(C)C=CN(C)CO; O=C(OC(C(/C=C\
    N(C)CO)C)C(C(=O)CCC(C)C(OC)CC4OC(=O)CC(O
    )CCCC(=O)CC(c1nc(oc1)c2nc(oc2)c3nc(oc3)C
    =CCC(OC)C4C)C)C)C; CO[CH](C[CH]1OC(=O)C[
    CH](O)CCCC(=O)C[CH](C)c2coc(n2)c3coc(n3)
    c4coc(C=CC[CH](OC)[CH]1C)n4)[CH](C)CCC(=
    O)[CH](C)C(OC(C)=O)C(C)C=CN(C)CO    		 ULAPUALIDE A
    39529
    ULB
    CHEMBL4851810    		 1 C16 H15 N3 O InChI=1S/C16H15N3O/c1-12-
    17-16(19-18-12)14-9-5-6-1
    0-15(14)20-11-13-7-3-2-4-
    8-13/h2-10H,11H2,1H3,(H,1
    7,18,19);
    NPTNHLPXAAOUPO-UHFFFAOYSA-N    		 Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3 3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole
    39530
    ULC    		 1 C18 H20 N2 O2 S InChI=1S/C18H20N2O2S/c1-2
    0(16-8-5-9-17(19-16)21-2)
    18(23)22-15-11-10-13-6-3-
    4-7-14(13)12-15/h5,8-12H,
    3-4,6-7H2,1-2H3;
    VPHPQNGOVQYUMG-UHFFFAOYSA-N    		 CN(c1cccc(n1)OC)C(=S)Oc2ccc3c(c2)CCCC3;
    COc1cccc(n1)N(C)C(=S)Oc2ccc3CCCCc3c2    		 ~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate
    39531
    ULD    		 1 C15 H12 F5 N O4 S InChI=1S/C15H12F5NO4S/c16
    -14(17)5-9-10(25-8-3-7(4-
    8)6-21)1-2-11(12(9)13(14)
    22)26(23,24)15(18,19)20/h
    1-2,7-8,13,22H,3-5H2/t7-,
    8+,13-/m0/s1;
    CWCXJGVIPMKNIF-DAROEXNTSA-N    		 N#CC1CC(C1)Oc2ccc(c3c2CC(F)(F)C3O)S(=O)(
    =O)C(F)(F)F; c1cc(c2c(c1OC3CC(C3)C#N)CC(
    C2O)(F)F)S(=O)(=O)C(F)(F)F; c1cc(c2c(c1O
    C3CC(C3)C#N)CC([C@H]2O)(F)F)S(=O)(=O)C(F
    )(F)F; O[CH]1c2c(CC1(F)F)c(O[CH]3C[CH](C
    3)C#N)ccc2[S](=O)(=O)C(F)(F)F; O[C@H]1c2
    c(CC1(F)F)c(O[C@H]3C[C@H](C3)C#N)ccc2[S]
    (=O)(=O)C(F)(F)F    		 cis-3-({(1S)-7-[dihydroxy(trifluoromethyl)-lambda~4~-sulfanyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl}oxy)cyclobutane-1-carbonitrile
    39532
    ULE
    CHEMBL4860220    		 1 C19 H21 N3 O2 InChI=1S/C19H21N3O2/c1-12
    (13-6-4-3-5-7-13)16-10-14
    (18(23)21-15-8-9-15)11-17
    (22-16)19(24)20-2/h3-7,10
    -12,15H,8-9H2,1-2H3,(H,20
    ,24)(H,21,23)/t12-/m0/s1;
    VGUKTEKHFHLCSV-LBPRGKRZSA-N    		 C[C@@H](c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O
    )NC3CC3; CNC(=O)c1cc(cc(n1)[C@@H](C)c2cc
    ccc2)C(=O)NC3CC3; CNC(=O)c1cc(cc(n1)[CH]
    (C)c2ccccc2)C(=O)NC3CC3; CC(c1ccccc1)c2c
    c(cc(n2)C(=O)NC)C(=O)NC3CC3    		 ~{N}4-cyclopropyl-~{N}2-methyl-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide
    39533
    ULF
    ZINC000098209496    		 0 C11 H14 F N2 O8 P InChI=1S/C11H14FN2O8P/c12
    -5-3-11(4-21-23(18,19)20)
    8(16)7(5)9(22-11)14-2-1-6
    (15)13-10(14)17/h1-2,5,7-
    9,16H,3-4H2,(H,13,15,17)(
    H2,18,19,20)/t5-,7-,8+,9-
    ,11-/m1/s1;
    INQRQYVGAIORTC-QVPLNXPXSA-N    		 C1C(C2C(C1(OC2N3C=CC(=O)NC3=O)COP(=O)(O)
    O)O)F; O[C@H]1[C@H]2[C@H](F)C[C@]1(CO[P]
    (O)(O)=O)O[C@H]2N3C=CC(=O)NC3=O; C1[C@H]
    ([C@@H]2[C@@H]([C@]1(O[C@H]2N3C=CC(=O)NC
    3=O)COP(=O)(O)O)O)F; O=P(O)(O)OCC23OC(N1
    C(=O)NC(=O)C=C1)C(C(F)C2)C3O; O[CH]1[CH]
    2[CH](F)C[C]1(CO[P](O)(O)=O)O[CH]2N3C=CC
    (=O)NC3=O    		 [(1R,3R,4R,5R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-5-fluoro-7-hydroxy-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
    39534
    ULG    		 1 C16 H11 F5 O2 InChI=1S/C16H11F5O2/c17-8
    -5-9(18)7-10(6-8)23-14-4-
    2-12(16(19,20)21)15-11(14
    )1-3-13(15)22/h2,4-7,13,2
    2H,1,3H2/t13-/m1/s1;
    WYQNGHURDXWRST-CYBMUJFWSA-N    		 O[CH]1CCc2c(Oc3cc(F)cc(F)c3)ccc(c12)C(F)
    (F)F; c1cc(c2c(c1C(F)(F)F)[C@@H](CC2)O)O
    c3cc(cc(c3)F)F; O[C@@H]1CCc2c(Oc3cc(F)cc
    (F)c3)ccc(c12)C(F)(F)F; FC(F)(F)c1ccc(c2
    c1C(O)CC2)Oc3cc(F)cc(c3)F; c1cc(c2c(c1C(
    F)(F)F)C(CC2)O)Oc3cc(cc(c3)F)F    		 (1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
    39535
    ULH
    CHEMBL4644310    		 1 C19 H21 N3 O3 InChI=1S/C19H21N3O3/c1-12
    (13-6-4-3-5-7-13)22-11-14
    (17(23)21-15-8-9-15)10-16
    (19(22)25)18(24)20-2/h3-7
    ,10-12,15H,8-9H2,1-2H3,(H
    ,20,24)(H,21,23)/t12-/m1/
    s1;
    AYQUCQJYWKQBRS-GFCCVEGCSA-N    		 C[C@H](c1ccccc1)N2C=C(C=C(C2=O)C(=O)NC)C
    (=O)NC3CC3; CNC(=O)C1=CC(=CN([CH](C)c2cc
    ccc2)C1=O)C(=O)NC3CC3; CNC(=O)C1=CC(=CN(
    [C@H](C)c2ccccc2)C1=O)C(=O)NC3CC3; CC(c1
    ccccc1)N2C=C(C=C(C2=O)C(=O)NC)C(=O)NC3CC
    3    		 ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-[(1~{R})-1-phenylethyl]pyridine-3,5-dicarboxamide
    39536
    ULI
    ZINC000006921185    		 0 C40 H82 InChI=1S/C40H82/c1-3-5-7-
    9-11-13-15-17-19-21-23-25
    -27-29-31-33-35-37-39-40-
    38-36-34-32-30-28-26-24-2
    2-20-18-16-14-12-10-8-6-4
    -2/h3-40H2,1-2H3;
    KUPLEGDPSCCPJI-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
    ; C(CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCC
    CCCC    		 tetracontane;
    n-Tetracontane
    39537
    ULJ
    CHEMBL1610544
    ZINC000002689543    		 8 C18 H17 Br F N5 O3 InChI=1S/C18H17BrFN5O3/c1
    -27-12-5-6-15(28-2)14(8-1
    2)22-18(26)16-17(21)25(24
    -23-16)9-10-3-4-11(19)7-1
    3(10)20/h3-8H,9,21H2,1-2H
    3,(H,22,26);
    RAVNFJBKYUTEIC-UHFFFAOYSA-N    		 COc1ccc(OC)c(NC(=O)c2nnn(Cc3ccc(Br)cc3F)
    c2N)c1; COc1ccc(c(c1)NC(=O)c2c(n(nn2)Cc3
    ccc(cc3F)Br)N)OC; COc3ccc(OC)c(NC(=O)c2c
    (N)n(Cc1c(F)cc(cc1)Br)nn2)c3    		 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
    39538
    ULK    		 1 C19 H21 N3 O3 InChI=1S/C19H21N3O3/c1-11
    -8-14(11)22-18(24)13-9-15
    (21-16(10-13)19(25)20-2)1
    7(23)12-6-4-3-5-7-12/h3-7
    ,9-11,14,17,23H,8H2,1-2H3
    ,(H,20,25)(H,22,24)/t11-,
    14-,17-/m0/s1;
    OJSKWCXPUVTNCF-YLVFBTJISA-N    		 CC1CC1NC(=O)c2cc(nc(c2)C(=O)NC)C(c3ccccc
    3)O; C[C@H]1C[C@@H]1NC(=O)c2cc(nc(c2)C(=
    O)NC)[C@H](c3ccccc3)O; CNC(=O)c1cc(cc(n1
    )[CH](O)c2ccccc2)C(=O)N[CH]3C[CH]3C; CNC
    (=O)c1cc(cc(n1)[C@@H](O)c2ccccc2)C(=O)N[
    C@H]3C[C@@H]3C    		 ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-[(~{S})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide
    39539
    ULL    		 1 C26 H24 Br N3 O3 InChI=1S/C26H24BrN3O3/c1-
    17(2)33-26(32)28-22-14-10
    -18(11-15-22)23-16-24(19-
    6-4-3-5-7-19)30(29-23)25(
    31)20-8-12-21(27)13-9-20/
    h3-15,17,24H,16H2,1-2H3,(
    H,28,32)/t24-/m0/s1;
    RWCWONWFSWXBCW-DEOSSOPVSA-N    		 CC(C)OC(=O)Nc1ccc(cc1)C2=NN([CH](C2)c3cc
    ccc3)C(=O)c4ccc(Br)cc4; CC(C)OC(=O)Nc1cc
    c(cc1)C2=NN(C(C2)c3ccccc3)C(=O)c4ccc(cc4
    )Br; CC(C)OC(=O)Nc1ccc(cc1)C2=NN([C@@H](
    C2)c3ccccc3)C(=O)c4ccc(Br)cc4; O=C(c1ccc
    (Br)cc1)N1N=C(CC1c1ccccc1)c1ccc(NC(=O)OC
    (C)C)cc1; CC(C)OC(=O)Nc1ccc(cc1)C2=NN([C
    @@H](C2)c3ccccc3)C(=O)c4ccc(cc4)Br    		 propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate
    39540
    ULM    		 1 C13 H11 F6 N O2 InChI=1S/C13H11F6NO2/c14-
    7-1-6-8(22-5-2-12(15,16)3
    -5)4-20-11(13(17,18)19)9(
    6)10(7)21/h4-5,7,10,21H,1
    -3H2/t7-,10-/m1/s1;
    PUEJLMQBKXIGPV-GMSGAONNSA-N    		 O[C@@H]1[C@H](F)Cc2c(OC3CC(F)(F)C3)cnc(c
    12)C(F)(F)F; c1(cnc(c2c1CC(C2O)F)C(F)(F)
    F)OC3CC(C3)(F)F; O[CH]1[CH](F)Cc2c(OC3CC
    (F)(F)C3)cnc(c12)C(F)(F)F; c1c(c2c(c(n1)
    C(F)(F)F)C(C(C2)F)O)OC3CC(C3)(F)F; c1c(c
    2c(c(n1)C(F)(F)F)[C@@H]([C@@H](C2)F)O)OC
    3CC(C3)(F)F    		 (6R,7S)-4-[(3,3-difluorocyclobutyl)oxy]-6-fluoro-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol
    39541
    ULN
    CHEMBL4873182    		 1 C21 H23 N3 O3 InChI=1S/C21H23N3O3/c1-12
    (13-6-4-3-5-7-13)17-8-14(
    9-18(23-17)21(26)22-2)20(
    25)24-19-15-10-27-11-16(1
    5)19/h3-9,12,15-16,19H,10
    -11H2,1-2H3,(H,22,26)(H,2
    4,25)/t12-,15-,16+,19+/m0
    /s1;
    VTIIKJCRYRUFLT-NALNUFGESA-N    		 CNC(=O)c1cc(cc(n1)[C@@H](C)c2ccccc2)C(=O
    )NC3[C@@H]4COC[C@H]34; C[C@@H](c1ccccc1)
    c2cc(cc(n2)C(=O)NC)C(=O)NC3[C@H]4[C@@H]3
    COC4; CNC(=O)c1cc(cc(n1)[CH](C)c2ccccc2)
    C(=O)NC3[CH]4COC[CH]34; CC(c1ccccc1)c2cc
    (cc(n2)C(=O)NC)C(=O)NC3C4C3COC4    		 ~{N}2-methyl-~{N}4-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide
    39542
    ULO    		 12 C15 H33 O P InChI=1S/C15H33OP/c1-6-7-
    8-9-10-11-12-13-17(16,14(
    2)3)15(4)5/h14-15H,6-13H2
    ,1-5H3;
    DHOTYMJGZIUWRT-UHFFFAOYSA-N    		 CCCCCCCCC[P](=O)(C(C)C)C(C)C; CCCCCCCCCP
    (=O)(C(C)C)C(C)C; O=P(CCCCCCCCC)(C(C)C)C
    (C)C    		 nonyl(oxo)di(propan-2-yl)-lambda~5~-phosphane
    39543
    ULP
    ZINC000263620549    		 2 C25 H34 N5 O22 P3 InChI=1S/C25H34N5O22P3/c1
    -9-17(33)12(11(5-26-9)7-4
    7-53(40,41)42)6-27-15-16(
    28-10(2)31)24(50-21(19(15
    )35)23(37)38)51-55(45,46)
    52-54(43,44)48-8-13-18(34
    )20(36)22(49-13)30-4-3-14
    (32)29-25(30)39/h3-6,13,1
    5-16,18-22,24,33-36H,7-8H
    2,1-2H3,(H,28,31)(H,37,38
    )(H,43,44)(H,45,46)(H,29,
    32,39)(H2,40,41,42)/b27-6
    +/t13-,15-,16-,18-,19+,20
    -,21+,22-,24-/m1/s1;
    IGKBPIFLZAFLLV-IOECPDIJSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2C(C(OC(C2O
    )C(=O)O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N
    4C=CC(=O)NC4=O)O)O)NC(=O)C)O; O=C1C=CN(C
    (=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4OC
    (C(=O)O)C(O)C(/N=C/c3c(cnc(c3O)C)COP(=O)
    (O)O)C4NC(=O)C)O)O; Cc1c(c(c(cn1)COP(=O)
    (O)O)/C=N/[C@@H]2[C@H]([C@H](O[C@@H]([C@
    H]2O)C(=O)O)O[P@@](=O)(O)O[P@@](=O)(O)OC
    [C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)N
    C4=O)O)O)NC(=O)C)O; CC(=O)N[CH]1[CH](O[C
    H]([CH](O)[CH]1N=Cc2c(O)c(C)ncc2CO[P](O)
    (O)=O)C(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH
    ]3O[CH]([CH](O)[CH]3O)N4C=CC(=O)NC4=O; C
    C(=O)N[C@H]1[C@H](O[C@@H]([C@@H](O)[C@@H
    ]1N=Cc2c(O)c(C)ncc2CO[P](O)(O)=O)C(O)=O)
    O[P](O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@
    H](O)[C@@H]3O)N4C=CC(=O)NC4=O    		 (2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
    39544
    ULQ    		 1 C21 H23 N3 O4 InChI=1S/C21H23N3O4/c1-22
    -21(26)17-9-13(20(25)24-1
    8-14-10-28-11-15(14)18)8-
    16(23-17)19(27-2)12-6-4-3
    -5-7-12/h3-9,14-15,18-19H
    ,10-11H2,1-2H3,(H,22,26)(
    H,24,25)/t14-,15+,18+,19-
    /m0/s1;
    XRABYUHHDSKQAA-SFUIVIKGSA-N    		 CNC(=O)c1cc(cc(n1)[CH](OC)c2ccccc2)C(=O)
    NC3[CH]4COC[CH]34; CNC(=O)c1cc(cc(n1)C(c
    2ccccc2)OC)C(=O)NC3C4C3COC4; CNC(=O)c1cc
    (cc(n1)[C@@H](OC)c2ccccc2)C(=O)NC3[C@H]4
    COC[C@@H]34; CNC(=O)c1cc(cc(n1)[C@H](c2c
    cccc2)OC)C(=O)NC3[C@H]4[C@@H]3COC4    		 6-[(~{S})-methoxy(phenyl)methyl]-~{N}2-methyl-~{N}4-[(1~{S},5~{R})-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
    39545
    ULR    		 0 C20 H23 F N6 O InChI=1S/C20H23FN6O/c1-3-
    14-11-26(7-6-22-14)15-4-5
    -16(17(21)8-15)20(28)25-1
    8-12-27-10-13(2)24-19(27)
    9-23-18/h4-5,8-10,12,14,2
    2H,3,6-7,11H2,1-2H3,(H,25
    ,28)/t14-/m0/s1;
    FWJHZBXJJJTEFO-AWEZNQCLSA-N    		 CC[CH]1CN(CCN1)c2ccc(c(F)c2)C(=O)Nc3cn4c
    c(C)nc4cn3; CC[C@H]1CN(CCN1)c2ccc(c(c2)F
    )C(=O)Nc3cn4cc(nc4cn3)C; CCC1CN(CCN1)c2c
    cc(c(c2)F)C(=O)Nc3cn4cc(nc4cn3)C; CC[C@H
    ]1CN(CCN1)c2ccc(c(F)c2)C(=O)Nc3cn4cc(C)n
    c4cn3    		 4-[(3~{S})-3-ethylpiperazin-1-yl]-2-fluoranyl-~{N}-(2-methylimidazo[1,2-a]pyrazin-6-yl)benzamide;
    SMN-CY
    39546
    ULS    		 1 C16 H10 F4 N2 O2 InChI=1S/C16H10F4N2O2/c17
    -9-3-8(6-21)4-10(5-9)24-1
    3-7-22-15(16(18,19)20)14-
    11(13)1-2-12(14)23/h3-5,7
    ,12,23H,1-2H2/t12-/m1/s1;
    QJVMUDSPENWIOV-GFCCVEGCSA-N    		 c1c(cc(cc1Oc2cnc(c3c2CCC3O)C(F)(F)F)F)C#
    N; c1c(cc(cc1Oc2cnc(c3c2CC[C@H]3O)C(F)(F
    )F)F)C#N; O[C@@H]1CCc2c(Oc3cc(F)cc(c3)C#
    N)cnc(c12)C(F)(F)F; N#Cc1cc(cc(c1)Oc2cnc
    (c3c2CCC3O)C(F)(F)F)F; O[CH]1CCc2c(Oc3cc
    (F)cc(c3)C#N)cnc(c12)C(F)(F)F    		 3-fluoro-5-{[(7R)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile
    39547
    ULT
    CHEMBL5197292    		 1 C22 H14 Cl F3 N2 O4 InChI=1S/C22H14ClF3N2O4/c
    23-17-3-1-2-16(22(24,25)2
    6)18(17)19-15(20(32-28-19
    )13-8-9-27-10-13)11-31-14
    -6-4-12(5-7-14)21(29)30/h
    1-10,27H,11H2,(H,29,30);
    NZRBQNXUTCVFCO-UHFFFAOYSA-N    		 c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)COc4
    ccc(cc4)C(=O)O)C(F)(F)F; OC(=O)c1ccc(OCc
    2c(onc2c3c(Cl)cccc3C(F)(F)F)c4c[nH]cc4)c
    c1    		 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid;
    FM156
    39548
    ULV
    CHEMBL4749037    		 1 C26 H22 F3 N7 O3 InChI=1S/C26H22F3N7O3/c27
    -26(28,29)17-7-8-31-19(11
    -17)33-24(37)15-3-1-14(2-
    4-15)20-21-22(30)32-9-10-
    35(21)23(34-20)16-5-6-18-
    13-39-25(38)36(18)12-16/h
    1-4,7-11,16,18H,5-6,12-13
    H2,(H2,30,32)(H,31,33,37)
    /t16-,18+/m1/s1;
    CDISOBGWDHAHGF-AEFFLSMTSA-N    		 Nc1nccn2c(nc(c3ccc(cc3)C(=O)Nc4cc(ccn4)C
    (F)(F)F)c12)[CH]5CC[CH]6COC(=O)N6C5; Nc1
    nccn2c(nc(c3ccc(cc3)C(=O)Nc4cc(ccn4)C(F)
    (F)F)c12)[C@@H]5CC[C@H]6COC(=O)N6C5; c1c
    c(ccc1c2c3c(nccn3c(n2)[C@@H]4CC[C@H]5COC
    (=O)N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F; n1c
    (c2c(nc(n2cc1)C3CCC4N(C3)C(OC4)=O)c6ccc(
    C(=O)Nc5nccc(C(F)(F)F)c5)cc6)N; c1cc(ccc
    1c2c3c(nccn3c(n2)C4CCC5COC(=O)N5C4)N)C(=
    O)Nc6cc(ccn6)C(F)(F)F    		 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
    39549
    ULW    		 1 C22 H35 N O4 InChI=1S/C22H35NO4/c1-17(
    2)7-5-8-18(3)9-6-10-19(4)
    14-16-27-22(26)13-15-23-2
    0(24)11-12-21(23)25/h9,14
    ,17H,5-8,10-13,15-16H2,1-
    4H3/b18-9-,19-14-;
    UEVQPHSWLLGCMH-WALGPUPZSA-N    		 CC(C)CCC/C(=C\CC/C(=C\COC(=O)CCN1C(=O)CC
    C1=O)/C)/C; CC(C)CCCC(C)=CCCC(C)=CCOC(=O
    )CCN1C(=O)CCC1=O; CC(C)CCCC(=CCCC(=CCOC(
    =O)CCN1C(=O)CCC1=O)C)C; CC(C)CCCC(\C)=C/
    CCC(/C)=C\COC(=O)CCN1C(=O)CCC1=O    		 [(2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate
    39550
    ULX    		 1 C29 H31 F3 N4 O3 InChI=1S/C29H31F3N4O3/c30
    -29(31,32)23-8-5-20(6-9-2
    3)14-28(18-34-26-10-7-21(
    17-37)13-27(26)36(38)39)1
    1-12-35(19-28)16-22-15-33
    -25-4-2-1-3-24(22)25/h1-1
    0,13,15,33-34,37-39H,11-1
    2,14,16-19H2/t28-/m0/s1;
    IYYLJCBCDAMUPF-NDEPHWFRSA-N    		 c1ccc2c(c1)c(c[nH]2)CN3CC[C@](C3)(Cc4ccc
    (cc4)C(F)(F)F)CNc5ccc(cc5N(O)O)CO; FC(F)
    (F)c1ccc(cc1)CC1(CCN(Cc2c[NH]c3ccccc23)C
    1)CNc1ccc(CO)cc1N(O)O; c1ccc2c(c1)c(c[nH
    ]2)CN3CCC(C3)(Cc4ccc(cc4)C(F)(F)F)CNc5cc
    c(cc5N(O)O)CO; OCc1ccc(NC[C]2(CCN(Cc3c[n
    H]c4ccccc34)C2)Cc5ccc(cc5)C(F)(F)F)c(c1)
    N(O)O; OCc1ccc(NC[C@]2(CCN(Cc3c[nH]c4ccc
    cc34)C2)Cc5ccc(cc5)C(F)(F)F)c(c1)N(O)O    		 [4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)-3-nitrophenyl]methanol
    39551
    ULY
    CHEMBL4114929    		 2 C28 H26 F3 N7 O3 InChI=1S/C28H26F3N7O3/c1-
    41-20-12-15(27(40)35-21-1
    3-17(8-9-33-21)28(29,30)3
    1)3-6-19(20)23-24-25(32)3
    4-10-11-37(24)26(36-23)16
    -2-4-18-5-7-22(39)38(18)1
    4-16/h3,6,8-13,16,18H,2,4
    -5,7,14H2,1H3,(H2,32,34)(
    H,33,35,40)/t16-,18+/m1/s
    1;
    OMIQRSKHABIPRH-AEFFLSMTSA-N    		 COc1cc(ccc1c2c3c(nccn3c(n2)C4CCC5CCC(=O)
    N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F; n1ccn2c
    (c1N)c(nc2C3CN4C(CC3)CCC4=O)c5ccc(cc5OC)
    C(Nc6nccc(c6)C(F)(F)F)=O; COc1cc(ccc1c2c
    3c(nccn3c(n2)[C@@H]4CC[C@H]5CCC(=O)N5C4)
    N)C(=O)Nc6cc(ccn6)C(F)(F)F; COc1cc(ccc1c
    2nc([CH]3CC[CH]4CCC(=O)N4C3)n5ccnc(N)c25
    )C(=O)Nc6cc(ccn6)C(F)(F)F; COc1cc(ccc1c2
    nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n5ccnc(N)c
    25)C(=O)Nc6cc(ccn6)C(F)(F)F    		 4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
    39552
    ULZ
    CHEMBL5209191    		 1 C18 H19 Br N4 O InChI=1S/C18H19BrN4O/c19-
    14-2-4-17-16(11-14)13(12-
    21-17)1-3-15-5-6-20-18(22
    -15)23-7-9-24-10-8-23/h2,
    4-6,11-12,21H,1,3,7-10H2;
    LPEIQZYVQYBIQO-UHFFFAOYSA-N    		 c1cc2c(cc1Br)c(c[nH]2)CCc3ccnc(n3)N4CCOC
    C4; Brc1ccc2[nH]cc(CCc3ccnc(n3)N4CCOCC4)
    c2c1    		 4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
    39553
    UM0
    ZINC000013545200    		 0 C14 H24 N2 O9 InChI=1S/C14H24N2O9/c1-5(
    13(21)22)15-12(20)6(2)24-
    11-9(16-7(3)18)14(23)25-8
    (4-17)10(11)19/h5-6,8-11,
    14,17,19,23H,4H2,1-3H3,(H
    ,15,20)(H,16,18)(H,21,22)
    /t5-,6+,8+,9+,10+,11+,14-
    /m0/s1;
    ICMUIFDBEVJCQA-GFBFODDVSA-N    		 C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C
    @H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C;
    C[CH](NC(=O)[CH](C)O[CH]1[CH](O)[CH](CO)
    O[CH](O)[CH]1NC(C)=O)C(O)=O; O=C(O)C(NC(
    =O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C)C; CC(
    C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=
    O)C; C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](
    O)[C@@H](CO)O[C@H](O)[C@@H]1NC(C)=O)C(O)
    =O    		 (2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoic acid
    39554
    UM1    		 0 C8 H15 N3 O4 InChI=1S/C8H15N3O4/c1-4(1
    0-6(12)3-9)7(13)11-5(2)8(
    14)15/h4-5H,3,9H2,1-2H3,(
    H,10,12)(H,11,13)(H,14,15
    )/t4-,5-/m1/s1;
    PYTZFYUXZZHOAD-RFZPGFLSSA-N    		 C[C@@H](NC(=O)[C@@H](C)NC(=O)CN)C(O)=O;
    O=C(NC(C(=O)O)C)C(NC(=O)CN)C; C[CH](NC(=
    O)[CH](C)NC(=O)CN)C(O)=O; C[C@H](C(=O)N[
    C@H](C)C(=O)O)NC(=O)CN; CC(C(=O)NC(C)C(=
    O)O)NC(=O)CN    		 (2R)-2-[[(2R)-2-(2-aminoethanoylamino)propanoyl]amino]propanoic acid;
    glycyl-D-alanyl-D-alanine
    39555
    UM2
    ZINC000011957321    		 2 C7 H16 N2 O InChI=1S/C7H16N2O/c1-3-4-
    5-9-7(10)6(2)8/h6H,3-5,8H
    2,1-2H3,(H,9,10)/t6-/m0/s
    1;
    XXYQJGUBGFEJMV-LURJTMIESA-N    		 CCCCNC(=O)C(C)N; CCCCNC(=O)[CH](C)N; O=C
    (NCCCC)C(N)C; CCCCNC(=O)[C@H](C)N    		 (2S)-2-amino-N-butyl-propanamide;
    N-butyl-L-alaninamide
    39556
    UM3
    DB03448
    ZINC000006524812    		 6 C9 H13 N2 O8 P InChI=1S/C9H13N2O8P/c12-4
    -6-5(19-20(15,16)17)3-8(1
    8-6)11-2-1-7(13)10-9(11)1
    4/h1-2,5-6,8,12H,3-4H2,(H
    ,10,13,14)(H2,15,16,17)/t
    5-,6+,8+/m0/s1;
    LXKGKXYIAAKOCT-SHYZEUOFSA-N    		 C1C(C(OC1N2C=CC(=O)NC2=O)CO)OP(=O)(O)O;
    C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO
    )OP(=O)(O)O; OC[CH]1O[CH](C[CH]1O[P](O)(
    O)=O)N2C=CC(=O)NC2=O; OC[C@H]1O[C@H](C[C
    @@H]1O[P](O)(O)=O)N2C=CC(=O)NC2=O; O=C1N
    C(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2)CO    		 2'-DEOXYURIDINE 3'-MONOPHOSPHATE
    39557
    UM4
    CHEMBL4107779    		 2 C30 H28 F3 N7 O3 InChI=1S/C30H28F3N7O3/c31
    -30(32,33)18-9-10-35-23(1
    4-18)37-29(42)16-2-7-21(2
    2(13-16)43-20-5-6-20)25-2
    6-27(34)36-11-12-39(26)28
    (38-25)17-1-3-19-4-8-24(4
    1)40(19)15-17/h2,7,9-14,1
    7,19-20H,1,3-6,8,15H2,(H2
    ,34,36)(H,35,37,42)/t17-,
    19+/m1/s1;
    WMMNTQFZCHUZSM-MJGOQNOKSA-N    		 Nc1nccn2c(nc(c3ccc(cc3OC4CC4)C(=O)Nc5cc(
    ccn5)C(F)(F)F)c12)[C@@H]6CC[C@H]7CCC(=O)
    N7C6; n1c(c2c(nc(n2cc1)C3CCC4N(C3)C(CC4)
    =O)c6ccc(C(Nc5nccc(C(F)(F)F)c5)=O)cc6OC7
    CC7)N; c1cc(c(cc1C(=O)Nc2cc(ccn2)C(F)(F)
    F)OC3CC3)c4c5c(nccn5c(n4)C6CCC7CCC(=O)N7
    C6)N; Nc1nccn2c(nc(c3ccc(cc3OC4CC4)C(=O)
    Nc5cc(ccn5)C(F)(F)F)c12)[CH]6CC[CH]7CCC(
    =O)N7C6; c1cc(c(cc1C(=O)Nc2cc(ccn2)C(F)(
    F)F)OC3CC3)c4c5c(nccn5c(n4)[C@@H]6CC[C@H
    ]7CCC(=O)N7C6)N    		 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
    39558
    UM5
    CHEMBL4853894    		 1 C18 H19 N5 O2 InChI=1S/C18H19N5O2/c1-3-
    19-18(24)13-7-8-17(25-12-
    14-6-4-5-9-20-14)15(10-13
    )16-11-23(2)22-21-16/h4-1
    1H,3,12H2,1-2H3,(H,19,24);
    PXCVJESJJFPBNT-UHFFFAOYSA-N    		 CCNC(=O)c1ccc(OCc2ccccn2)c(c1)c3cn(C)nn3
    ; CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OCc3cccc
    n3    		 N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide;
    ~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
    39559
    UM6    		 8 C18 H15 Cl F N3 O InChI=1S/C18H15ClFN3O/c19
    -12-6-7-15-16(10-12)23(14
    -4-2-1-3-5-14)18(24)21-17
    (15)22-9-8-13(20)11-22/h1
    -7,10,13H,8-9,11H2/t13-/m
    1/s1;
    GPTUSHRRTGGGTD-CYBMUJFWSA-N    		 c1ccc(cc1)N2c3cc(ccc3C(=NC2=O)N4CCC(C4)F
    )Cl; c1ccc(cc1)N2c3cc(ccc3C(=NC2=O)N4CC[
    C@H](C4)F)Cl; F[CH]1CCN(C1)C2=NC(=O)N(c3
    ccccc3)c4cc(Cl)ccc24; F[C@@H]1CCN(C1)C2=
    NC(=O)N(c3ccccc3)c4cc(Cl)ccc24    		 7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one
    39560
    UM7
    ZINC000038288957    		 0 C6 H12 N2 O2 InChI=1S/C6H12N2O2/c1-10-
    6(9)5-3-2-4-7-8-5/h5,7-8H
    ,2-4H2,1H3/t5-/m0/s1;
    GAUFSAOOPHWSRO-YFKPBYRVSA-N    		 COC(=O)[CH]1CCCNN1; COC(=O)[C@@H]1CCCNN1
    ; C1NNC(CC1)C(=O)OC; COC(=O)C1CCCNN1    		 methyl (3S)-hexahydropyridazine-3-carboxylate
    39561
    UM8
    CHEMBL4853265    		 1 C19 H19 N5 O InChI=1S/C19H19N5O/c1-24-
    12-18(22-23-24)17-11-14(1
    9(25)21-15-7-8-15)10-16(2
    0-17)9-13-5-3-2-4-6-13/h2
    -6,10-12,15H,7-9H2,1H3,(H
    ,21,25);
    NUQGANYMFKALLD-UHFFFAOYSA-N    		 Cn1cc(nn1)c2cc(cc(Cc3ccccc3)n2)C(=O)NC4C
    C4; Cn1cc(nn1)c2cc(cc(n2)Cc3ccccc3)C(=O)
    NC4CC4    		 2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide;
    ~{N}-cyclopropyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(phenylmethyl)pyridine-4-carboxamide
    39562
    UM9    		 1 C14 H25 N O7 InChI=1S/C14H25NO7/c1-7(1
    7)14(3,4)6-21-13-10(15-8(
    2)18)12(20)11(19)9(5-16)2
    2-13/h9-13,16,19-20H,5-6H
    2,1-4H3,(H,15,18)/t9-,10-
    ,11-,12-,13-/m1/s1;
    UAKFZHMRCJMULU-SYLRKERUSA-N    		 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO
    )O[C@H]1OCC(C)(C)C(C)=O; CC(=O)C(C)(C)CO
    C1C(C(C(C(O1)CO)O)O)NC(=O)C; CC(=O)C(C)(
    C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C
    O)O)O)NC(=O)C; CC(=O)N[CH]1[CH](O)[CH](O
    )[CH](CO)O[CH]1OCC(C)(C)C(C)=O; CC(=O)C(
    C)(C)COC1OC(CO)C(O)C(O)C1NC(C)=O    		 2,2-dimethyl-3-oxobutyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
    39563
    UMA
    DB01673
    ZINC000085545647    		 13 C23 H36 N4 O20 P2 InChI=1S/C23H36N4O20P2/c1
    -8(21(35)36)24-19(34)9(2)
    43-18-14(25-10(3)29)22(45
    -11(6-28)16(18)32)46-49(4
    0,41)47-48(38,39)42-7-12-
    15(31)17(33)20(44-12)27-5
    -4-13(30)26-23(27)37/h4-5
    ,8-9,11-12,14-18,20,22,28
    ,31-33H,6-7H2,1-3H3,(H,24
    ,34)(H,25,29)(H,35,36)(H,
    38,39)(H,40,41)(H,26,30,3
    7)/t8-,9+,11+,12+,14+,15+
    ,16+,17+,18+,20+,22+/m0/s
    1;
    NTMMCWJNQNKACG-KBKUWGQMSA-N    		 CC(C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)CO)OP(
    =O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC
    3=O)O)O)NC(=O)C; C[CH](NC(=O)[CH](C)O[CH
    ]1[CH](O)[CH](CO)O[CH](O[P](O)(=O)O[P](O
    )(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=
    O)NC3=O)[CH]1NC(C)=O)C(O)=O; C[C@@H](C(=
    O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O
    [C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)
    (O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC
    (=O)NC3=O)O)O)NC(=O)C; C[C@H](NC(=O)[C@@
    H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[P
    @](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@
    H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@@H]1NC(
    C)=O)C(O)=O; O=P(OC1OC(C(O)C(OC(C(=O)NC(
    C(=O)O)C)C)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3
    OC(N2C=CC(=O)NC2=O)C(O)C3O    		 URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE
    39564
    UMB
    CHEMBL4876311    		 1 C19 H21 N3 O3 InChI=1S/C19H21N3O3/c1-20
    -19(25)17-9-13(18(24)22-1
    5-10-16(23)11-15)8-14(21-
    17)7-12-5-3-2-4-6-12/h2-6
    ,8-9,15-16,23H,7,10-11H2,
    1H3,(H,20,25)(H,22,24)/t1
    5-,16-;
    FQRNJZDJWMGBEX-WKILWMFISA-N    		 CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)N[C@@H]
    3C[C@@H](O)C3; CNC(=O)c1cc(cc(n1)Cc2cccc
    c2)C(=O)NC3CC(C3)O; CNC(=O)c1cc(cc(Cc2cc
    ccc2)n1)C(=O)N[CH]3C[CH](O)C3    		 6-benzyl-N4-((1r,3r)-3-hydroxycyclobutyl)-N2-methylpyridine-2,4-dicarboxamide;
    ~{N}2-methyl-~{N}4-(3-oxidanylcyclobutyl)-6-(phenylmethyl)pyridine-2,4-dicarboxamide
    39565
    UMC
    CHEMBL3144338    		 16 C9 H15 N2 O8 P InChI=1S/C9H15N2O8P/c12-5
    -3-8(11-2-1-7(13)10-9(11)
    14)19-6(5)4-18-20(15,16)1
    7/h5-6,8,12H,1-4H2,(H,10,
    13,14)(H2,15,16,17)/t5-,6
    +,8+/m0/s1;
    WQQZADPPRABIFU-SHYZEUOFSA-N    		 O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2CCC(=O
    )NC2=O; C1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O
    )(O)O)O; O=P(O)(O)OCC2OC(N1C(=O)NC(=O)CC
    1)CC2O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(
    O)=O)N2CCC(=O)NC2=O; C1CN(C(=O)NC1=O)[C@
    H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O    		 2'-deoxy-5'-uridylic acid
    39566
    UME    		 1 C19 H21 N5 O InChI=1S/C19H21N5O/c1-4-2
    0-19(25)15-10-16(13(2)14-
    8-6-5-7-9-14)21-17(11-15)
    18-12-24(3)23-22-18/h5-13
    H,4H2,1-3H3,(H,20,25)/t13
    -/m0/s1;
    LOEKXZDIARTPMM-ZDUSSCGKSA-N    		 CCNC(=O)c1cc(nc(c1)c2cn(C)nn2)[CH](C)c3c
    cccc3; CCNC(=O)c1cc(nc(c1)c2cn(C)nn2)[C@
    @H](C)c3ccccc3; CCNC(=O)c1cc(nc(c1)C(C)c
    2ccccc2)c3cn(nn3)C    		 N-ethyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)-6-(1-phenylethyl)isonicotinamide;
    ~{N}-ethyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(1-phenylethyl)pyridine-4-carboxamide
    39567
    UMF
    DB03155
    ZINC000033821548    		 2 C9 H12 F N2 O8 P InChI=1S/C9H12FN2O8P/c10-
    6-7(20-21(16,17)18)4(3-13
    )19-8(6)12-2-1-5(14)11-9(
    12)15/h1-2,4,6-8,13H,3H2,
    (H,11,14,15)(H2,16,17,18)
    /t4-,6-,7-,8-/m1/s1;
    IFIXUMAFUNKIAA-XVFCMESISA-N    		 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@
    H](O2)CO)OP(=O)(O)O)F; OC[CH]1O[CH]([CH]
    (F)[CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O; O=
    C1NC(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2F)CO;
    C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)OP(=O)(O
    )O)F; OC[C@H]1O[C@H]([C@H](F)[C@@H]1O[P]
    (O)(O)=O)N2C=CC(=O)NC2=O    		 2'-FLUORO-2'-DEOXYURIDINE 3'-MONOPHOSPHATE;
    1-(2-DEOXY-2-FLUORO-3-O-PHOSPHONO-BETA-L-RIBOFURANOSYL)PYRIMIDINE-2,4(1H,3H)-DIONE
    39568
    UMG
    DB04268
    ZINC000098209497    		 1 C34 H47 N3 O18 InChI=1S/C34H47N3O18/c1-1
    2-7-22(44)50-18-8-16(5-6-
    17(12)18)49-32-24(36-14(3
    )42)28(47)30(20(10-39)52-
    32)55-34-25(37-15(4)43)29
    (48)31(21(11-40)53-34)54-
    33-23(35-13(2)41)27(46)26
    (45)19(9-38)51-33/h5-8,19
    -21,23-34,38-40,45-48H,9-
    11H2,1-4H3,(H,35,41)(H,36
    ,42)(H,37,43)/t19-,20-,21
    -,23-,24-,25-,26-,27-,28-
    ,29-,30-,31-,32+,33+,34+/
    m1/s1;
    BNYGKUQXGBVTRE-ITRNKESMSA-N    		 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO
    )O[C@H]1O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C
    @@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](NC
    (C)=O)[C@H](O[C@@H]3CO)Oc4ccc5C(=CC(=O)O
    c5c4)C; O=C5Oc4c(ccc(OC3OC(C(OC2OC(C(OC1
    OC(CO)C(O)C(O)C1NC(=O)C)C(O)C2NC(=O)C)CO
    )C(O)C3NC(=O)C)CO)c4)C(=C5)C; CC1=CC(=O)
    Oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H](
    [C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([
    C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C
    @H](O5)CO)O)O)NC(=O)C)O)NC(=O)C)O)NC(=O)
    C; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[C
    H]1O[CH]2[CH](O)[CH](NC(C)=O)[CH](O[CH]2
    CO)O[CH]3[CH](O)[CH](NC(C)=O)[CH](O[CH]3
    CO)Oc4ccc5C(=CC(=O)Oc5c4)C; CC1=CC(=O)Oc
    2c1ccc(c2)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4
    )CO)OC5C(C(C(C(O5)CO)O)O)NC(=O)C)O)NC(=O
    )C)O)NC(=O)C    		 METHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSE;
    METHYLUMBELLIFERYL CHITOTRIOSE
    39569
    UMH
    CHEMBL3228131
    ZINC000032099217    		 1 C11 H9 N O3 InChI=1S/C11H9NO3/c1-15-9
    -2-3-10-7(5-9)4-8(6-12-10
    )11(13)14/h2-6H,1H3,(H,13
    ,14);
    QSFFBQNKTUMKNW-UHFFFAOYSA-N    		 COc1ccc2ncc(cc2c1)C(O)=O; COc1ccc2c(c1)c
    c(cn2)C(=O)O    		 6-methoxyquinoline-3-carboxylic acid
    39570
    UMI    		 1 C29 H31 F3 N4 O3 InChI=1S/C29H31F3N4O3/c30
    -29(31,32)23-5-3-4-20(12-
    23)14-28(18-34-24-9-8-21(
    17-37)27(13-24)36(38)39)1
    0-11-35(19-28)16-22-15-33
    -26-7-2-1-6-25(22)26/h1-9
    ,12-13,15,33-34,37-39H,10
    -11,14,16-19H2/t28-/m0/s1;
    KGLHSGWEBHLIGL-NDEPHWFRSA-N    		 c1ccc2c(c1)c(c[nH]2)CN3CCC(C3)(Cc4cccc(c
    4)C(F)(F)F)CNc5ccc(c(c5)N(O)O)CO; c1ccc2
    c(c1)c(c[nH]2)CN3CC[C@](C3)(Cc4cccc(c4)C
    (F)(F)F)CNc5ccc(c(c5)N(O)O)CO; OCc1ccc(N
    C[C@]2(CCN(Cc3c[nH]c4ccccc34)C2)Cc5cccc(
    c5)C(F)(F)F)cc1N(O)O; OCc1ccc(NC[C]2(CCN
    (Cc3c[nH]c4ccccc34)C2)Cc5cccc(c5)C(F)(F)
    F)cc1N(O)O; FC(F)(F)c1cccc(c1)CC1(CCN(Cc
    2c[NH]c3ccccc23)C1)CNc1ccc(CO)c(c1)N(O)O    		 [2-(dihydroxyamino)-4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)phenyl]methanol
    39571
    UMJ
    CHEMBL4748685
    ZINC000000121898    		 1 C15 H18 N2 O2 InChI=1S/C15H18N2O2/c1-15
    (2,3)13-9-12(14(18)19)17(
    16-13)10-11-7-5-4-6-8-11/
    h4-9H,10H2,1-3H3,(H,18,19
    );
    IJXYLILRNVOJNF-UHFFFAOYSA-N    		 CC(C)(C)c1cc(n(n1)Cc2ccccc2)C(=O)O; CC(C
    )(C)c1cc(n(Cc2ccccc2)n1)C(O)=O; c2cccc(C
    n1c(C(O)=O)cc(n1)C(C)(C)C)c2    		 1-benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid
    39572
    UMK
    CHEMBL1505419
    ZINC000000155093    		 1 C11 H14 Br N O InChI=1S/C11H14BrNO/c12-1
    0-3-1-9(2-4-10)11(14)5-7-
    13-8-6-11/h1-4,13-14H,5-8
    H2;
    QNLXJYQUWCNYBH-UHFFFAOYSA-N    		 c1cc(ccc1C2(CCNCC2)O)Br; OC1(CCNCC1)c2cc
    c(Br)cc2; Brc1ccc(cc1)C2(O)CCNCC2    		 4-(4-BROMOPHENYL)PIPERIDIN-4-OL
    39573
    UML
    CHEMBL1777829    		 2 C34 H55 N7 O24 P2 InChI=1S/C34H55N7O24P2/c1
    -14(28(49)39-18(32(53)54)
    7-8-21(44)38-17(31(51)52)
    6-4-5-10-35)36-29(50)15(2
    )61-27-23(37-16(3)43)33(6
    3-19(12-42)25(27)47)64-67
    (58,59)65-66(56,57)60-13-
    20-24(46)26(48)30(62-20)4
    1-11-9-22(45)40-34(41)55/
    h9,11,14-15,17-20,23-27,3
    0,33,42,46-48H,4-8,10,12-
    13,35H2,1-3H3,(H,36,50)(H
    ,37,43)(H,38,44)(H,39,49)
    (H,51,52)(H,53,54)(H,56,5
    7)(H,58,59)(H,40,45,55)/t
    14-,15+,17-,18+,19+,20+,2
    3+,24+,25+,26+,27+,30+,33
    +/m0/s1;
    WXBLSQNZKMJACT-BYEZXYKXSA-N    		 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN
    )C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C
    @H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP
    (=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3
    C=CC(=O)NC3=O)O)O)NC(=O)C; C[C@H](NC(=O)
    [C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]
    (O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C
    @H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@@H]1NC
    (C)=O)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C
    (O)=O)C(O)=O; CC(C(=O)NC(CCC(=O)NC(CCCCN
    )C(=O)O)C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)C
    O)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(
    =O)NC3=O)O)O)NC(=O)C; O=C(O)C(NC(=O)CCC(
    C(=O)O)NC(=O)C(NC(=O)C(OC3C(O)C(OC(OP(=O
    )(OP(=O)(OCC2OC(N1C=CC(=O)NC1=O)C(O)C2O)
    O)O)C3NC(=O)C)CO)C)C)CCCCN; C[CH](NC(=O)
    [CH](C)O[CH]1[CH](O)[CH](CO)O[CH](O[P](O
    )(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]
    2O)N3C=CC(=O)NC3=O)[CH]1NC(C)=O)C(=O)N[C
    H](CCC(=O)N[CH](CCCCN)C(O)=O)C(O)=O    		 Uridine 5'Diphospho N-acetyl muramoyl-L-Alanyl-D-Glutamyl-L-Lysine
    39574
    UMM    		 2 C28 H42 N4 O7 InChI=1S/C28H42N4O7/c1-18
    (2)23(30-27(36)39-28(3,4)
    5)24(33)29-22-17-19-10-8-
    11-20(16-19)37-14-6-7-15-
    38-26(35)21-12-9-13-32(31
    -21)25(22)34/h8,10-11,16,
    18,21-23,31H,6-7,9,12-15,
    17H2,1-5H3,(H,29,33)(H,30
    ,36)/t21-,22-,23-/m0/s1;
    BZQRBTRFLXZFDJ-VABKMULXSA-N    		 CC(C)[C@@H](C(=O)N[C@H]1Cc2cccc(c2)OCCCC
    OC(=O)[C@@H]3CCCN(C1=O)N3)NC(=O)OC(C)(C)
    C; CC(C)[CH](NC(=O)OC(C)(C)C)C(=O)N[CH]1
    Cc2cccc(OCCCCOC(=O)[CH]3CCC[N](N3)C1=O)c
    2; CC(C)C(C(=O)NC1Cc2cccc(c2)OCCCCOC(=O)
    C3CCCN(C1=O)N3)NC(=O)OC(C)(C)C; CC(C)[C@
    H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1Cc2cccc(O
    CCCCOC(=O)[C@@H]3CCC[N@@](N3)C1=O)c2; CC
    (C)(OC(NC(C(=O)NC3Cc1cccc(c1)OCCCCOC(=O)
    C2CCCN(N2)C3=O)C(C)C)=O)C    		 tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate
    39575
    UMN
    CHEMBL4868536    		 1 C29 H30 Cl N5 O4 InChI=1S/C29H30ClN5O4/c30
    -24-14-31-28(32-21-8-11-3
    9-12-9-21)33-26(24)19-5-6
    -20-15-35(27(38)22(20)13-
    19)16-25(37)34-29(17-36)1
    0-7-18-3-1-2-4-23(18)29/h
    1-6,13-14,21,36H,7-12,15-
    17H2,(H,34,37)(H,31,32,33
    )/t29-/m1/s1;
    ANSUETKROJEMSJ-GDLZYMKVSA-N    		 c1ccc2c(c1)CCC2(CO)NC(=O)CN3Cc4ccc(cc4C3
    =O)c5c(cnc(n5)NC6CCOCC6)Cl; c1ccc2c(c1)C
    C[C@]2(CO)NC(=O)CN3Cc4ccc(cc4C3=O)c5c(cn
    c(n5)NC6CCOCC6)Cl; OC[C]1(CCc2ccccc12)NC
    (=O)CN3Cc4ccc(cc4C3=O)c5nc(NC6CCOCC6)ncc
    5Cl; OC[C@@]1(CCc2ccccc12)NC(=O)CN3Cc4cc
    c(cc4C3=O)c5nc(NC6CCOCC6)ncc5Cl    		 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]ethanamide
    39576
    UMO    		 0 C10 H14 F N2 O9 P InChI=1S/C10H14FN2O9P/c1-
    20-10(4-21-23(17,18)19)7(
    15)6(11)8(22-10)13-3-2-5(
    14)12-9(13)16/h2-3,6-8,15
    H,4H2,1H3,(H,12,14,16)(H2
    ,17,18,19)/t6-,7+,8-,10-/
    m1/s1;
    ZYOWQXVTIIKUDO-IBCQBUCCSA-N    		 CO[C]1(CO[P](O)(O)=O)O[CH]([CH](F)[CH]1O
    )N2C=CC(=O)NC2=O; CO[C@]1(CO[P](O)(O)=O)
    O[C@H]([C@H](F)[C@@H]1O)N2C=CC(=O)NC2=O;
    CO[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O
    )NC2=O)F)O)COP(=O)(O)O; C2(N1C(NC(=O)C=C
    1)=O)C(F)C(C(OC)(O2)COP(O)(=O)O)O; COC1(
    C(C(C(O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O    		 2'-F-4'-OMe U;
    [(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-2-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
    39577
    UMP
    CHEMBL211312
    DB03800
    ZINC000004228260    		 973 C9 H13 N2 O8 P InChI=1S/C9H13N2O8P/c12-5
    -3-8(11-2-1-7(13)10-9(11)
    14)19-6(5)4-18-20(15,16)1
    7/h1-2,5-6,8,12H,3-4H2,(H
    ,10,13,14)(H2,15,16,17)/t
    5-,6+,8+/m0/s1;
    JSRLJPSBLDHEIO-SHYZEUOFSA-N    		 O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O;
    O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=
    O)NC2=O; C1[C@@H]([C@H](O[C@H]1N2C=CC(=O
    )NC2=O)COP(=O)(O)O)O; O[C@H]1C[C@@H](O[C
    @@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O; C1C(
    C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O    		 2'-DEOXYURIDINE 5'-MONOPHOSPHATE;
    DUMP
    39578
    UMQ
    DB02686
    ZINC000058649715    		 0 C23 H44 O11 InChI=1S/C23H44O11/c1-2-3
    -4-5-6-7-8-9-10-11-31-22-
    20(30)18(28)21(15(13-25)3
    3-22)34-23-19(29)17(27)16
    (26)14(12-24)32-23/h14-30
    H,2-13H2,1H3/t14-,15-,16-
    ,17+,18-,19-,20-,21-,22-,
    23-/m1/s1;
    UYEMNFYVTFDKRG-ZNGNCRBCSA-N    		 CCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O
    2)CO)O)O)O)O)O; CCCCCCCCCCCO[C@H]1[C@@H]
    ([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]
    ([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O; O(C
    CCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C
    (O)C2O)CO; CCCCCCCCCCCO[CH]1O[CH](CO)[CH
    ](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[C
    H](O)[CH]1O; CCCCCCCCCCCO[C@@H]1O[C@H](C
    O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H]
    (O)[C@H]2O)[C@H](O)[C@H]1O    		 UNDECYL-MALTOSIDE;
    UNDECYL-BETA-D-MALTOPYRANOSIDE
    39579
    UMR    		 4 C23 H26 Cl2 N4 O2 S InChI=1S/C23H26Cl2N4O2S/c
    1-3-16-14-28(15-19-7-4-5-
    10-27-19)23(30)22-9-6-8-2
    1(16)29(22)32(31,26-2)20-
    12-17(24)11-18(25)13-20/h
    3-5,7,10-13,16,21-22H,1,6
    ,8-9,14-15H2,2H3/t16-,21+
    ,22-,32-/m0/s1;
    DQVUTGFTLVPMDO-WVGZOYKRSA-N    		 CN=[S](=O)(N1[CH]2CCC[CH]1C(=O)N(C[CH]2C
    =C)Cc3ccccn3)c4cc(Cl)cc(Cl)c4; CN=[S@](=
    O)(N1[C@@H]2CCC[C@H]1C(=O)N(C[C@@H]2C=C)
    Cc3ccccn3)c4cc(Cl)cc(Cl)c4; CN=[S@@](=O)
    (c1cc(cc(c1)Cl)Cl)N2[C@@H]3CCC[C@H]2C(=O
    )N(C[C@@H]3C=C)Cc4ccccn4; CN=S(=O)(c1cc(
    cc(c1)Cl)Cl)N2C3CCCC2C(=O)N(CC3C=C)Cc4cc
    ccn4    		 (1S,5S,6R)-10-[S-[3,5-bis(chloranyl)phenyl]-N-methyl-sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
    39580
    UMS    		 0 C10 H15 N2 O8 P Se InChI=1S/C10H15N2O8PSe/c1
    -22-8-7(14)5(4-19-21(16,1
    7)18)20-9(8)12-3-2-6(13)1
    1-10(12)15/h2-3,5,7-9,14H
    ,4H2,1H3,(H,11,13,15)(H2,
    16,17,18)/t5-,7-,8-,9-/m1
    /s1;
    PADIGPKUSVFCBC-ZOQUXTDFSA-N    		 C[Se]C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)
    O)O; C[Se][C@@H]1[C@H](O)[C@@H](CO[P](O)
    (O)=O)O[C@H]1N2C=CC(=O)NC2=O; O=C1NC(=O)
    N(C=C1)C2OC(C(O)C2[Se]C)COP(=O)(O)O; C[S
    e][CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N
    2C=CC(=O)NC2=O; C[Se][C@@H]1[C@@H]([C@H]
    (O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O    		 2'-METHYLSELENYL-2'-DEOXYURIDINE-5'-PHOSPHATE
    39581
    UMT
    CHEMBL5202939    		 1 C18 H20 N4 O InChI=1S/C18H20N4O/c1-2-4
    -17-16(3-1)14(13-20-17)5-
    6-15-7-8-19-18(21-15)22-9
    -11-23-12-10-22/h1-4,7-8,
    13,20H,5-6,9-12H2;
    UEMXDZGQUZIRAH-UHFFFAOYSA-N    		 c1ccc2c(c1)c(c[nH]2)CCc3ccnc(n3)N4CCOCC4
    ; C1CN(CCO1)c2nccc(CCc3c[nH]c4ccccc34)n2    		 4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
    39582
    UMV    		 2 C27 H23 N3 O6 InChI=1S/C27H23N3O6/c1-17
    -21-13-18(16-28)7-8-20(21
    )19(15-26(32)34-2)14-24(1
    7)36-23-6-4-3-5-22(23)35-
    12-11-30-10-9-25(31)29-27
    (30)33/h3-10,13-14H,11-12
    ,15H2,1-2H3,(H,29,31,33);
    NMVRVCAJVLRWGN-UHFFFAOYSA-N    		 c3c(c(Oc2c(C)c1cc(C#N)ccc1c(c2)CC(=O)OC)
    ccc3)OCCN4C=CC(NC4=O)=O; Cc1c2cc(ccc2c(c
    c1Oc3ccccc3OCCN4C=CC(=O)NC4=O)CC(=O)OC)C
    #N; COC(=O)Cc1cc(Oc2ccccc2OCCN3C=CC(=O)N
    C3=O)c(C)c4cc(ccc14)C#N    		 methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate
    39583
    UMW
    ZINC000050243960    		 0 C8 H18 N2 O InChI=1S/C8H18N2O/c1-8(2,
    11)6-10-4-3-7(9)5-10/h7,1
    1H,3-6,9H2,1-2H3/t7-/m0/s
    1;
    VDMURYIBJNVHLD-ZETCQYMHSA-N    		 CC(C)(CN1CC[C@@H](C1)N)O; CC(C)(O)CN1CC[
    CH](N)C1; CC(C)(CN1CCC(C1)N)O; CC(C)(O)C
    N1CC[C@H](N)C1    		 1-[(3~{S})-3-azanylpyrrolidin-1-yl]-2-methyl-propan-2-ol
    39584
    UMX
    ZINC000064436655    		 0 C12 H17 N2 O8 P InChI=1S/C12H17N2O8P/c1-6
    -4-12(5-21-23(18,19)20)9(
    16)8(6)10(22-12)14-3-2-7(
    15)13-11(14)17/h2-3,6,8-1
    0,16H,4-5H2,1H3,(H,13,15,
    17)(H2,18,19,20)/t6-,8+,9
    -,10+,12+/m0/s1;
    BIKPERMTZJFCSY-UNUCDPEXSA-N    		 C[C@H]1C[C@]2(CO[P](O)(O)=O)O[C@H]([C@H]
    1[C@@H]2O)N3C=CC(=O)NC3=O; C[CH]1C[C]2(C
    O[P](O)(O)=O)O[CH]([CH]1[CH]2O)N3C=CC(=O
    )NC3=O; CC1CC2(C(C1C(O2)N3C=CC(=O)NC3=O)
    O)COP(=O)(O)O; C[C@H]1C[C@]2([C@H]([C@@H
    ]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(O)
    O; O=P(O)(O)OCC23OC(N1C(=O)NC(=O)C=C1)C(
    C(C2)C)C3O    		 [(1R,3R,4R,5S,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
    39585
    UMY
    CHEMBL3967150    		 1 C24 H18 F N3 O4 InChI=1S/C24H18FN3O4/c1-1
    5-18-12-16(14-26)6-7-17(1
    8)19(25)13-22(15)32-21-5-
    3-2-4-20(21)31-11-10-28-9
    -8-23(29)27-24(28)30/h2-9
    ,12-13H,10-11H2,1H3,(H,27
    ,29,30);
    OIPOKGOOHCBAPR-UHFFFAOYSA-N    		 Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)N
    C4=O)F)C#N; Cc1c(Oc2ccccc2OCCN3C=CC(=O)N
    C3=O)cc(F)c4ccc(cc14)C#N; c2(c1c(cc(cc1)
    C#N)c(C)c(c2)Oc4ccccc4OCCN3C=CC(=O)NC3=O
    )F    		 7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-5-fluoro-8-methylnaphthalene-2-carbonitrile
    39586
    UMZ
    CHEMBL195634
    ZINC000012365460    		 1 C14 H13 N3 InChI=1S/C14H13N3/c1-2-4-
    14-13(3-1)11(9-16-14)5-6-
    12-7-8-15-10-17-12/h1-4,7
    -10,16H,5-6H2;
    VEEXILNZSSXTHF-UHFFFAOYSA-N    		 c1ccc2c(c1)c(c[nH]2)CCc3ccncn3; C(Cc1c[n
    H]c2ccccc12)c3ccncn3    		 3-(2-pyrimidin-4-ylethyl)-1~{H}-indole
    39587
    UN1
    CHEMBL88804
    ZINC000001532798    		 27 C6 H11 N O4 InChI=1S/C6H11NO4/c7-4(6(
    10)11)2-1-3-5(8)9/h4H,1-3
    ,7H2,(H,8,9)(H,10,11)/t4-
    /m0/s1;
    OYIFNHCXNCRBQI-BYPYZUCNSA-N    		 C(CC(C(=O)O)N)CC(=O)O; N[C@@H](CCCC(O)=O
    )C(O)=O; N[CH](CCCC(O)=O)C(O)=O; O=C(O)C
    CCC(N)C(=O)O; C(C[C@@H](C(=O)O)N)CC(=O)O    		 2-AMINOHEXANEDIOIC ACID
    39588
    UN2    		 0 C4 H9 N O4 InChI=1S/C4H9NO4/c5-2(4(8
    )9)1-3(6)7/h2-3,6-7H,1,5H
    2,(H,8,9)/t2-/m0/s1;
    NVZWSDYYWDDQAN-REOHCLBHSA-N    		 C(C(C(=O)O)N)C(O)O; N[C@@H](CC(O)O)C(O)=
    O; O=C(O)C(N)CC(O)O; C([C@@H](C(=O)O)N)C
    (O)O; N[CH](CC(O)O)C(O)=O    		 2-AMINO-4,4-DIHYDROXYBUTANOIC ACID
    39589
    UN3
    DB04800
    ZINC000012504518    		 1 C10 H11 N3 O3 S InChI=1S/C10H11N3O3S/c1-1
    3-10(12-17(14,15)16)7-9(1
    1-13)8-5-3-2-4-6-8/h2-7,1
    2H,1H3,(H,14,15,16);
    OTZLVSGSRPNRFT-UHFFFAOYSA-N    		 O=S(=O)(O)Nc1cc(nn1C)c2ccccc2; Cn1c(cc(n
    1)c2ccccc2)NS(=O)(=O)O; Cn1nc(cc1N[S](O)
    (=O)=O)c2ccccc2    		 (2-METHYL-5-PHENYL-2H-PYRAZOL-3-YL)-SULFAMIC ACID;
    1-METHYL-3-PHENYL-1H-PYRAZOL-5-YLSULFAMIC ACID
    39590
    UN4
    CHEMBL271591
    DB02898
    ZINC000005955002    		 1 C10 H12 N6 O2 InChI=1S/C10H12N6O2/c11-1
    0-15-8-7(12-4-13-8)9(16-1
    0)18-3-5-1-2-6(17)14-5/h4
    -5H,1-3H2,(H,14,17)(H3,11
    ,12,13,15,16)/t5-/m1/s1;
    UYPMMHCTXQIWDX-RXMQYKEDSA-N    		 c1[nH]c2c(n1)c(nc(n2)N)OCC3CCC(=O)N3; O=
    C1NC(CC1)COc3nc(nc2c3ncn2)N; c1[nH]c2c(n
    1)c(nc(n2)N)OC[C@H]3CCC(=O)N3; Nc1nc2[nH
    ]cnc2c(OC[CH]3CCC(=O)N3)n1; Nc1nc2[nH]cn
    c2c(OC[C@H]3CCC(=O)N3)n1    		 5-{[(2-AMINO-9H-PURIN-6-YL)OXY]METHYL}-2-PYRROLIDINONE
    39591
    UN5
    CHEMBL204337
    ZINC000014952759    		 1 C20 H24 N4 O8 S2 InChI=1S/C20H24N4O8S2/c1-
    21-20(26)18-11-14-6-7-17(
    23-34(30,31)32)10-15(14)1
    2-24(18)19(25)8-5-13-3-2-
    4-16(9-13)22-33(27,28)29/
    h2-4,6-7,9-10,18,22-23H,5
    ,8,11-12H2,1H3,(H,21,26)(
    H,27,28,29)(H,30,31,32)/t
    18-/m0/s1;
    VXWOHWHCMDFHJS-SFHVURJKSA-N    		 CNC(=O)[CH]1Cc2ccc(N[S](O)(=O)=O)cc2CN1C
    (=O)CCc3cccc(N[S](O)(=O)=O)c3; O=S(=O)(O
    )Nc1cccc(c1)CCC(=O)N3C(C(=O)NC)Cc2c(cc(c
    c2)NS(=O)(=O)O)C3; CNC(=O)C1Cc2ccc(cc2CN
    1C(=O)CCc3cccc(c3)NS(=O)(=O)O)NS(=O)(=O)
    O; CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)CCc3c
    ccc(c3)NS(=O)(=O)O)NS(=O)(=O)O; CNC(=O)[
    C@@H]1Cc2ccc(N[S](O)(=O)=O)cc2CN1C(=O)CC
    c3cccc(N[S](O)(=O)=O)c3    		 {3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-7-YL}-SULFAMIC ACID
    39592
    UN6
    CHEMBL206655
    ZINC000014952768    		 1 C16 H19 N3 O7 S2 InChI=1S/C16H19N3O7S2/c20
    -16(8-7-12-3-1-5-14(9-12)
    18-27(21,22)23)17-11-13-4
    -2-6-15(10-13)19-28(24,25
    )26/h1-6,9-10,18-19H,7-8,
    11H2,(H,17,20)(H,21,22,23
    )(H,24,25,26);
    UWGCDTODPMLETQ-UHFFFAOYSA-N    		 O[S](=O)(=O)Nc1cccc(CCC(=O)NCc2cccc(N[S]
    (O)(=O)=O)c2)c1; O=S(=O)(O)Nc1cc(ccc1)CN
    C(=O)CCc2cccc(NS(=O)(=O)O)c2; c1cc(cc(c1
    )NS(=O)(=O)O)CCC(=O)NCc2cccc(c2)NS(=O)(=
    O)O    		 (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-METHYL}-PHENYL)-SULFAMIC ACID
    39593
    UN7
    CHEMBL205997
    ZINC000014952763    		 1 C21 H23 N3 O7 S InChI=1S/C21H23N3O7S/c1-2
    2-20(26)18-11-14-6-7-17(2
    3-32(29,30)31)10-16(14)12
    -24(18)19(25)8-5-13-3-2-4
    -15(9-13)21(27)28/h2-4,6-
    7,9-10,18,23H,5,8,11-12H2
    ,1H3,(H,22,26)(H,27,28)(H
    ,29,30,31)/t18-/m0/s1;
    AQIMGTQPGXDDPP-SFHVURJKSA-N    		 CNC(=O)[CH]1Cc2ccc(N[S](O)(=O)=O)cc2CN1C
    (=O)CCc3cccc(c3)C(O)=O; CNC(=O)C1Cc2ccc(
    cc2CN1C(=O)CCc3cccc(c3)C(=O)O)NS(=O)(=O)
    O; O=C(O)c1cc(ccc1)CCC(=O)N3C(C(=O)NC)Cc
    2c(cc(cc2)NS(=O)(=O)O)C3; CNC(=O)[C@@H]1
    Cc2ccc(N[S](O)(=O)=O)cc2CN1C(=O)CCc3cccc
    (c3)C(O)=O; CNC(=O)[C@@H]1Cc2ccc(cc2CN1C
    (=O)CCc3cccc(c3)C(=O)O)NS(=O)(=O)O    		 3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-3-OXO-PROPYL]-BENZOIC ACID
    39594
    UN8
    CHEMBL245018
    ZINC000016052078    		 1 C27 H28 F N7 O4 S InChI=1S/C27H28FN7O4S/c1-
    3-4-13-34-25-24(26(36)35(
    27(34)37)15-19-7-5-6-8-21
    (19)28)30-22(31-25)14-18-
    9-11-20(12-10-18)32-40(38
    ,39)23-16-33(2)17-29-23/h
    5-12,16-17,32H,3-4,13-15H
    2,1-2H3,(H,30,31);
    OWJCXBGUTOMZTE-UHFFFAOYSA-N    		 O=S(=O)(c1ncn(c1)C)Nc2ccc(cc2)Cc4nc3N(C(
    =O)N(C(=O)c3n4)Cc5ccccc5F)CCCC; CCCCN1c2
    c([nH]c(n2)Cc3ccc(cc3)NS(=O)(=O)c4cn(cn4
    )C)C(=O)N(C1=O)Cc5ccccc5F; CCCCN1C(=O)N(
    Cc2ccccc2F)C(=O)c3[nH]c(Cc4ccc(N[S](=O)(
    =O)c5cn(C)cn5)cc4)nc13    		 N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]METHYL}PHENYL)-1-METHYL-1H-IMIDAZOLE-4-SULFONAMIDE
    39595
    UN9
    CHEMBL426560
    DB08687
    ZINC000000007670    		 21 C12 H9 Cl N2 O4 InChI=1S/C12H9ClN2O4/c13-
    11-7-4-2-1-3-6(7)10(18)9(
    15-11)12(19)14-5-8(16)17/
    h1-4,18H,5H2,(H,14,19)(H,
    16,17);
    OUQVKRKGTAUJQA-UHFFFAOYSA-N    		 OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O; c1ccc2
    c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O; O=C(O)CN
    C(=O)c1nc(Cl)c2c(c1O)cccc2    		 N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE
    39596
    UNA
    CHEMBL1236576
    DB04093
    ZINC000001595727    		 4 C11 H22 O InChI=1S/C11H22O/c1-2-3-4
    -5-6-7-8-9-10-11-12/h11H,
    2-10H2,1H3;
    KMPQYAYAQWNLME-UHFFFAOYSA-N    		 O=CCCCCCCCCCC; CCCCCCCCCCC=O UNDECANAL
    39597
    UNB
    CHEMBL1196664
    ZINC000016051814    		 1 C27 H26 N4 O4 S InChI=1S/C27H26N4O4S/c1-1
    7-9-14-23(31-36(34,35)24-
    8-4-6-19-5-2-3-7-21(19)24
    )26(33)22(17)15-25(32)30-
    16-18-10-12-20(13-11-18)2
    7(28)29/h2-14,31,33H,15-1
    6H2,1H3,(H3,28,29)(H,30,3
    2);
    KWJVADNYZMUTJY-UHFFFAOYSA-N    		 O=S(=O)(Nc1ccc(c(c1O)CC(=O)NCc2ccc(C(=[N
    @H])N)cc2)C)c4c3ccccc3ccc4; [H]N=C(c1ccc
    (cc1)CNC(=O)Cc2c(ccc(c2O)NS(=O)(=O)c3ccc
    c4c3cccc4)C)N; [H]/N=C(\c1ccc(cc1)CNC(=O
    )Cc2c(ccc(c2O)NS(=O)(=O)c3cccc4c3cccc4)C
    )/N; Cc1ccc(N[S](=O)(=O)c2cccc3ccccc23)c
    (O)c1CC(=O)NCc4ccc(cc4)C(N)=N    		 N-(4-CARBAMIMIDOYL-BENZYL)-2-[2-HYDROXY-6-METHYL-3-(NAPHTHALENE-1-SULFONYLAMINO)-PHENYL]-ACETAMIDE
    39598
    UNC
    DB03099
    ZINC000006452765    		 9 C4 H4 N4 O4 InChI=1S/C4H4N4O4/c5-1-2(
    8(11)12)6-4(10)7-3(1)9/h5
    H2,(H2,6,7,9,10);
    CLOSWQFGCBFNCK-UHFFFAOYSA-N    		 O=[N+]([O-])C1=C(C(=O)NC(=O)N1)N; C1(=C(
    NC(=O)NC1=O)[N+](=O)[O-])N; NC1=C(NC(=O)
    NC1=O)[N+]([O-])=O    		 5-AMINO-6-NITROPYRIMIDINE-2,4(1H,3H)-DIONE;
    5-AMINO 6-NITRO URACIL
    39599
    UND
    CHEMBL132474
    ZINC000001693211    		 0 C11 H24 InChI=1S/C11H24/c1-3-5-7-
    9-11-10-8-6-4-2/h3-11H2,1
    -2H3;
    RSJKGSCJYJTIGS-UHFFFAOYSA-N    		 CCCCCCCCCCC; C(CCCCCCCC)CC UNDECANE;
    LIPID FRAGMENT
    39600
    UNE
    CHEMBL1738915
    ZINC000002532865    		 1 C10 H7 Br O4 InChI=1S/C10H7BrO4/c1-14-
    7-4-6(11)2-5-3-8(10(12)13
    )15-9(5)7/h2-4H,1H3,(H,12
    ,13);
    OEICZFFUNDGUEF-UHFFFAOYSA-N    		 COc1cc(Br)cc2cc(oc12)C(O)=O; COc1cc(cc2c
    1oc(c2)C(=O)O)Br; O=C(O)c2oc1c(OC)cc(Br)
    cc1c2    		 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid
    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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