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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
    28401
    LOC
    CHEMBL107
    DB01394
    ZINC000000621853    		 53 C22 H25 N O6 InChI=1S/C22H25NO6/c1-12(
    24)23-16-8-6-13-10-19(27-
    3)21(28-4)22(29-5)20(13)1
    4-7-9-18(26-2)17(25)11-15
    (14)16/h7,9-11,16H,6,8H2,
    1-5H3,(H,23,24)/t16-/m0/s
    1;
    IAKHMKGGTNLKSZ-INIZCTEOSA-N    		 O=C(NC3C1=CC(=O)C(OC)=CC=C1c2c(cc(OC)c(O
    C)c2OC)CC3)C; CC(=O)NC1CCc2cc(c(c(c2C3=C
    C=C(C(=O)C=C13)OC)OC)OC)OC; CC(=O)N[C@H]
    1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)O
    C)OC; COC1=CC=C2C(=CC1=O)[CH](CCc3cc(OC)
    c(OC)c(OC)c23)NC(C)=O; COC1=CC=C2C(=CC1=
    O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(C)=O    		 N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide;
    COLCHICINE
    28402
    LOD
    CHEMBL4449176    		 2 C23 H24 Cl N O3 InChI=1S/C23H24ClNO3/c24-
    18-5-6-19-16(10-18)8-9-23
    (19)13-25(12-15-2-1-3-15)
    20-11-17(22(26)27)4-7-21(
    20)28-14-23/h4-7,10-11,15
    H,1-3,8-9,12-14H2,(H,26,2
    7)/t23-/m0/s1;
    YLXRDIJLTBHLLJ-QHCPKHFHSA-N    		 c1cc2c(cc1C(=O)O)N(CC3(CCc4c3ccc(c4)Cl)C
    O2)CC5CCC5; c1cc2c(cc1C(=O)O)N(C[C@@]3(C
    Cc4c3ccc(c4)Cl)CO2)CC5CCC5; OC(=O)c1ccc2
    OC[C@]3(CCc4cc(Cl)ccc34)CN(CC5CCC5)c2c1;
    OC(=O)c1ccc2OC[C]3(CCc4cc(Cl)ccc34)CN(C
    C5CCC5)c2c1; c5c(Cl)cc4CCC2(COc1ccc(cc1N
    (C2)CC3CCC3)C(O)=O)c4c5    		 (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid
    28403
    LOE
    ZINC000000238636    		 1 C14 H25 N O2 InChI=1S/C14H25NO2/c1-3-7
    -14(8-4-1)16-12-13(17-14)
    11-15-9-5-2-6-10-15/h13H,
    1-12H2/t13-/m0/s1;
    QYPMYEBDZRSXPG-ZDUSSCGKSA-N    		 C1CCC2(CC1)OC[C@@H](O2)CN3CCCCC3; C1CCC2
    (CC1)OCC(O2)CN3CCCCC3; C1CCN(CC1)C[CH]2C
    OC3(CCCCC3)O2; C1CCN(CC1)C[C@H]2COC3(CCC
    CC3)O2    		 1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine
    28404
    LOF    		 0 C9 H10 O3 InChI=1/C9H10O3/c10-8(9(1
    1)12)6-7-4-2-1-3-5-7/h1-5
    ,8,10H,6H2,(H,11,12)/t8-/
    m0/s1/f/h11H;
    VOXXWSYKYCBWHO-KMJKUPBBDH    		 c1ccc(cc1)CC(C(=O)O)O; c1ccc(cc1)C[C@@H]
    (C(=O)O)O; O=C(O)C(O)Cc1ccccc1; O[C@@H](
    Cc1ccccc1)C(O)=O; O[CH](Cc1ccccc1)C(O)=O    		 3-PHENYL-LACTIC ACID
    28405
    LOG
    CHEMBL402605
    ZINC000005167376    		 10 C8 H14 N2 O6 InChI=1S/C8H14N2O6/c1-3(1
    2)9-5-7(14)6(13)4(2-11)16
    -8(5)10-15/h4-7,11,13-15H
    ,2H2,1H3,(H,9,12)/b10-8-/
    t4-,5-,6-,7-/m1/s1;
    NJBKCLCEXIDHDR-OANDGCGGSA-N    		 CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=NO
    ; O=C(NC1C(=N\O)\OC(CO)C(O)C1O)C; CC(=O)
    N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\O)CO)
    O)O; CC(=O)N[C@@H]\1[C@@H](O)[C@H](O)[C@
    @H](CO)OC\1=N\O; CC(=O)NC1C(C(C(OC1=NO)C
    O)O)O    		 N-acetylglucosaminono-1,5-lactone (Z)-oxime;
    LOGNAC
    28406
    LOH    		 0 C6 H14 N2 O4 InChI=1S/C6H14N2O4/c7-2-1
    -3(9)5(10)4(8)6(11)12/h3-
    5,9-10H,1-2,7-8H2,(H,11,1
    2)/t3-,4-,5+/m0/s1;
    ALWBRQWTMGZSIM-VAYJURFESA-N    		 C(CN)[C@@H]([C@H]([C@@H](C(=O)O)N)O)O; N
    CC[CH](O)[CH](O)[CH](N)C(O)=O; NCC[C@H](
    O)[C@@H](O)[C@H](N)C(O)=O; C(CN)C(C(C(C(
    =O)O)N)O)O    		 3,4-dihydroxylysine
    28407
    LOI
    CHEMBL490961
    DB08118
    ZINC000039277809    		 1 C15 H16 N6 O S2 InChI=1S/C15H16N6OS2/c1-9
    -7-23-14(18-9)19-13(22)11
    -6-10(4-5-12(11)16-2)24-1
    5-20-17-8-21(15)3/h4-8,16
    H,1-3H3,(H,18,19,22);
    XRJAKERBMMBUGR-UHFFFAOYSA-N    		 Cc1csc(n1)NC(=O)c2cc(ccc2NC)Sc3nncn3C; C
    Nc1ccc(Sc2nncn2C)cc1C(=O)Nc3scc(C)n3; O=
    C(Nc1nc(cs1)C)c3cc(Sc2nncn2C)ccc3NC    		 2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide
    28408
    LOJ
    CHEMBL4533049    		 1 C21 H21 Cl2 N O3 InChI=1S/C21H21Cl2NO3/c22
    -16-5-6-17(18(23)9-16)15-
    11-24(10-13-2-1-3-13)19-8
    -14(21(25)26)4-7-20(19)27
    -12-15/h4-9,13,15H,1-3,10
    -12H2,(H,25,26)/t15-/m0/s
    1;
    FLTAOBQLOVJBJL-HNNXBMFYSA-N    		 c1cc2c(cc1C(=O)O)N(C[C@@H](CO2)c3ccc(cc3
    Cl)Cl)CC4CCC4; OC(=O)c1ccc2OC[C@H](CN(CC
    3CCC3)c2c1)c4ccc(Cl)cc4Cl; OC(=O)c1ccc2O
    C[CH](CN(CC3CCC3)c2c1)c4ccc(Cl)cc4Cl; c1
    cc2c(cc1C(=O)O)N(CC(CO2)c3ccc(cc3Cl)Cl)C
    C4CCC4; c4c(c(C1COc3ccc(cc3N(C1)CC2CCC2)
    C(O)=O)ccc4Cl)Cl    		 (3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid
    28409
    LOK
    ZINC000000476364    		 1 C10 H12 N2 O4 InChI=1S/C10H12N2O4/c1-15
    -9(13)11-7-4-3-5-8(6-7)12
    -10(14)16-2/h3-6H,1-2H3,(
    H,11,13)(H,12,14);
    BQFREXSKWBUSAP-UHFFFAOYSA-N    		 COC(=O)Nc1cccc(c1)NC(=O)OC; COC(=O)Nc1cc
    cc(NC(=O)OC)c1    		 methyl ~{N}-[3-(methoxycarbonylamino)phenyl]carbamate
    28410
    LOL    		 0 C6 H15 N O2 InChI=1S/C6H15NO2/c1-4(2)
    3-5(7)6(8)9/h4-6,8-9H,3,7
    H2,1-2H3/t5-/m0/s1;
    MUGBTWHZSATDPU-YFKPBYRVSA-N    		 CC(C)C[C@@H](C(O)O)N; CC(C)C[C@H](N)C(O)
    O; OC(O)C(N)CC(C)C; CC(C)CC(C(O)O)N; CC(
    C)C[CH](N)C(O)O    		 (2S)-2-amino-4-methylpentane-1,1-diol
    28411
    LOM
    CHEMBL15605
    ZINC000001484626    		 0 C3 H3 N S InChI=1S/C3H3NS/c1-2-5-3-
    4-1/h1-3H;
    FZWLAAWBMGSTSO-UHFFFAOYSA-N    		 s1ccnc1; c1cscn1; n1ccsc1 THIAZOLE
    28412
    LON
    CHEMBL312862
    DB13318
    ZINC000003872132    		 2 C21 H25 N O5 InChI=1S/C21H25NO5/c1-22-
    15-8-6-12-10-18(25-3)20(2
    6-4)21(27-5)19(12)13-7-9-
    17(24-2)16(23)11-14(13)15
    /h7,9-11,15,22H,6,8H2,1-5
    H3/t15-/m0/s1;
    NNJPGOLRFBJNIW-HNNXBMFYSA-N    		 CN[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)
    OC)OC)OC)OC; CN[CH]1CCc2cc(OC)c(OC)c(OC)
    c2C3=CC=C(OC)C(=O)C=C13; CN[C@H]1CCc2cc(
    OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13; CN
    C1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)
    OC)OC    		 (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
    28413
    LOO    		 2 C23 H23 F3 N2 O5 InChI=1S/C23H23F3N2O5/c1-
    13-9-15(10-14(2)19(13)33-
    22(3,4)20(30)31)11-28-18(
    29)12-27(21(28)32)17-7-5-
    16(6-8-17)23(24,25)26/h5-
    10H,11-12H2,1-4H3,(H,30,3
    1);
    BIIFAYFKMQRXPQ-UHFFFAOYSA-N    		 Cc1cc(CN2C(=O)CN(C2=O)c3ccc(cc3)C(F)(F)F
    )cc(C)c1OC(C)(C)C(O)=O; Cc1cc(cc(c1OC(C)
    (C)C(=O)O)C)CN2C(=O)CN(C2=O)c3ccc(cc3)C(
    F)(F)F    		 2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid
    28414
    LOP
    ZINC000064437180    		 86 C35 H68 N O8 P InChI=1S/C35H68NO8P/c1-3-
    5-7-9-11-13-14-15-16-17-1
    8-20-22-24-26-28-35(38)44
    -33(32-43-45(39,40)42-30-
    29-36)31-41-34(37)27-25-2
    3-21-19-12-10-8-6-4-2/h15
    -16,33H,3-14,17-32,36H2,1
    -2H3,(H,39,40)/b16-15-/t3
    3-/m1/s1;
    FUUNMZKPCMPCHT-ILGKRYBBSA-N    		 CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC
    N)OC(=O)CCCCCCC\C=C/CCCCCCCC; CCCCCCCCCC
    CC(=O)OC[C@H](CO[P@@](O)(=O)OCCN)OC(=O)C
    CCCCCC\C=C/CCCCCCCC; CCCCCCCCCCCC(=O)OCC
    (COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
    ; O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC)COP
    (=O)(OCCN)O)CCCCCCCCCCC; CCCCCCCCCCCC(=O
    )OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=
    CCCCCCCCC    		 (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE;
    LAURYL OLEYL PHOSPHATIDYL ETHANOLAMINE
    28415
    LOQ
    CHEMBL1078597
    ZINC000000069314    		 1 C11 H11 N O2 InChI=1S/C11H11NO2/c1-8-2
    -4-9(5-3-8)12-10(13)6-7-1
    1(12)14/h2-5H,6-7H2,1H3;
    IDSFKFXFMNGXCK-UHFFFAOYSA-N    		 Cc1ccc(cc1)N2C(=O)CCC2=O 1-(4-methylphenyl)pyrrolidine-2,5-dione
    28416
    LOR
    ZINC000015529318    		 2 C16 H18 Cl N3 O4 InChI=1S/C16H18ClN3O4/c17
    -10-6-7-11(19-14(10)16(23
    )24)12(8-21)20-15(22)13(1
    8)9-4-2-1-3-5-9/h1-5,8,10
    -13H,6-7,18H2,(H,20,22)(H
    ,23,24)/t10-,11+,12+,13+/
    m0/s1;
    DRTWKGBDHBOYMS-UMSGYPCISA-N    		 N[CH](C(=O)N[CH](C=O)[CH]1CC[CH](Cl)C(=N
    1)C(O)=O)c2ccccc2; c1ccc(cc1)C(C(=O)NC(C
    =O)C2CCC(C(=N2)C(=O)O)Cl)N; O=C(O)C2=NC(
    C(NC(=O)C(c1ccccc1)N)C=O)CCC2Cl; c1ccc(c
    c1)[C@H](C(=O)N[C@H](C=O)[C@H]2CCC(C(=N2
    )C(=O)O)Cl)N; N[C@@H](C(=O)N[C@H](C=O)[C
    @H]1CC[C@H](Cl)C(=N1)C(O)=O)c2ccccc2    		 LORACABEF (Open form);
    (3S,6R)-6-[(1S)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydropyridine-2-carboxylic acid
    28417
    LOS
    DB03492    		 1 C23 H19 N6 Os InChI=1S/2C10H8N2.C3H3N2.
    Os/c2*1-3-7-11-9(5-1)10-6
    -2-4-8-12-10;1-2-5-3-4-1;
    /h2*1-8H;1-3H;/q;;-1;+3;
    LHAHECCJWGXHOW-UHFFFAOYSA-N    		 [Os++]|1|2(|n3ccccc3c4ccccn|14)(|n5ccccc
    5c6ccccn|26)n7ccnc7; n1ccn(c1)[Os+2]73(n
    4c(c2ccccn23)cccc4)n5ccccc5c6ccccn67; c1
    cn(cn1)[Os+2]23([N]4=C(C=CC=C4)C5=CC=CC=
    [N]52)[N]6=C(C=CC=C6)C7=CC=CC=[N]37    		 LAMBDA-BIS(2,2'-BIPYRIDINE)IMIDAZOLE OSMIUM (II)
    28418
    LOT    		 5 C9 H9 N3 O4 S InChI=1S/C9H9N3O4S/c10-17
    (15,16)6-1-2-7(11-5-6)12-
    8(13)3-4-9(12)14/h1-2,5H,
    3-4H2,(H2,10,15,16);
    LBSDOHDMKVMJLR-UHFFFAOYSA-N    		 c1cc(ncc1S(=O)(=O)N)N2C(=O)CCC2=O; N[S](
    =O)(=O)c1ccc(nc1)N2C(=O)CCC2=O    		 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide
    28419
    LOU    		 0 C13 H16 N2 O7 InChI=1S/C13H16N2O7/c14-5
    (12(20)21)3-13-2-1-6(22-1
    3)8-9(13)11(19)15(10(8)18
    )4-7(16)17/h5-6,8-9H,1-4,
    14H2,(H,16,17)(H,20,21)/t
    5-,6-,8+,9-,13-/m0/s1;
    IYFGLSSJYCLPBF-BNVRWGGXSA-N    		 C(CN1C(C2C(C1=O)C3OC2(CC(N)C(=O)O)CC3)=O
    )(=O)O; N[CH](C[C]12CC[CH](O1)[CH]3[CH]2
    C(=O)N(CC(O)=O)C3=O)C(O)=O; N[C@@H](C[C@
    ]12CC[C@H](O1)[C@@H]3[C@H]2C(=O)N(CC(O)=
    O)C3=O)C(O)=O; C1CC2(C3C(C1O2)C(=O)N(C3=
    O)CC(=O)O)CC(C(=O)O)N; C1C[C@@]2([C@H]3[
    C@@H]([C@H]1O2)C(=O)N(C3=O)CC(=O)O)C[C@@
    H](C(=O)O)N    		 3-[(3aR,4S,7S,7aS)-2-(carboxymethyl)-1,3-dioxooctahydro-4H-4,7-epoxyisoindol-4-yl]-L-alanine
    28420
    LOV
    ZINC000006364559    		 0 C12 H25 N O3 InChI=1S/C12H25NO3/c1-7(2
    )5-10(13)11(14)6-9(8(3)4)
    12(15)16/h7-11,14H,5-6,13
    H2,1-4H3,(H,15,16)/t9-,10
    -,11-/m0/s1;
    MDQDVSMXVRRCRT-DCAQKATOSA-N    		 CC(C)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)O)
    O)N; O=C(O)C(C(C)C)CC(O)C(N)CC(C)C; CC(C
    )C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(O)=O;
    CC(C)CC(C(CC(C(C)C)C(=O)O)O)N; CC(C)C[C
    H](N)[CH](O)C[CH](C(C)C)C(O)=O    		 5-AMINO-4-HYDROXY-2-ISOPROPYL-7-METHYL-OCTANOIC ACID
    28421
    LOW
    ZINC000100009324    		 4 C10 H17 N O InChI=1S/C10H17NO/c11-9-2
    -7-1-8(3-9)5-10(12,4-7)6-
    9/h7-8,12H,1-6,11H2/t7-,8
    +,9+,10-;
    DWPIPTNBOVJYAD-FIRGSJFUSA-N    		 C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)N; NC12C
    [CH]3C[CH](C1)CC(O)(C3)C2; C1C2CC3(CC1CC
    (C2)(C3)O)N; NC12C[C@@H]3C[C@H](C1)CC(O)
    (C3)C2    		 (5~{S},7~{R})-3-azanyladamantan-1-ol
    28422
    LOX
    DB01921
    ZINC000036766387    		 1 C5 H10 N2 O4 InChI=1S/C5H10N2O4/c8-2-1
    -6-5(7-11)4(10)3(2)9/h2-4
    ,8-11H,1H2,(H,6,7)/t2-,3+
    ,4-/m1/s1;
    JDBSITHMKSTORG-FLRLBIABSA-N    		 ON=C1NC[CH](O)[CH](O)[CH]1O; O/N=C/1NC[C
    @@H](O)[C@H](O)[C@H]/1O; C1C(C(C(C(=NO)N
    1)O)O)O; OC1C(=N\O)\NCC(O)C1O; C1[C@H]([
    C@@H]([C@H](/C(=N/O)/N1)O)O)O    		 (2Z,3S,4S,5R)-2-hydroxyiminopiperidine-3,4,5-triol;
    3,4,5-TRIHYDOXY-PIPERIDINE-2-ONE-OXIME
    28423
    LOY    		 0 C27 H44 N9 O11 P S2 InChI=1S/C27H44N9O11PS2/c
    1-27(2,12-46-48(42)43)22(
    40)25(41)31-7-5-18(37)30-
    8-9-49-17(15-4-3-6-29-15)
    11-50(44,45)35-10-16-20(3
    8)21(39)26(47-16)36-14-34
    -19-23(28)32-13-33-24(19)
    36/h13-17,20-22,26,29,35,
    38-40H,3-12H2,1-2H3,(H,30
    ,37)(H,31,41)(H2,28,32,33
    )/t15-,16-,17+,20-,21-,22
    +,26-/m1/s1;
    UUZQPBPCNSKBOR-NZQKSRFZSA-N    		 CC(C)(COP(=O)=O)C(C(=O)NCCC(=O)NCCSC(CS(
    =O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)C
    4CCCN4)O; CC(C)(COP(=O)=O)[C@H](C(=O)NCC
    C(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]
    ([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H
    ]4CCCN4)O; CC(C)(CO[P](=O)=O)[CH](O)C(=O
    )NCCC(=O)NCCS[CH](C[S](=O)(=O)NC[CH]1O[C
    H]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)[CH]4C
    CCN4; N1C(CCC1)C(CS(=O)(=O)NCC4OC(n2cnc3
    c2ncnc3N)C(O)C4O)SCCNC(CCNC(C(C(COP(=O)=
    O)(C)C)O)=O)=O; CC(C)(CO[P](=O)=O)[C@@H]
    (O)C(=O)NCCC(=O)NCCS[C@@H](C[S](=O)(=O)N
    C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N
    )ncnc23)[C@H]4CCCN4    		 5'-deoxy-5'-[({(2R)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2R)-pyrrolidin-2-yl]ethyl}sulfonyl)amino]adenosine
    28424
    LOZ
    ZINC000095920906    		 4 C22 H24 N2 O5 InChI=1S/C22H24N2O5/c23-9
    -3-6-19(25)24-17-11-13-4-
    1-2-5-15(13)16(17)10-14-7
    -8-18-21(29-12-28-18)20(1
    4)22(26)27/h1-2,4-5,7-8,1
    6-17H,3,6,9-12,23H2,(H,24
    ,25)(H,26,27)/t16-,17+/m0
    /s1;
    JAXONHRCCIOGKL-DLBZAZTESA-N    		 c1ccc2c(c1)C[C@H]([C@H]2Cc3ccc4c(c3C(=O)
    O)OCO4)NC(=O)CCCN; NCCCC(=O)N[C@@H]1Cc2c
    cccc2[C@@H]1Cc3ccc4OCOc4c3C(O)=O; c1ccc2
    c(c1)CC(C2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)C
    CCN; NCCCC(=O)N[CH]1Cc2ccccc2[CH]1Cc3ccc
    4OCOc4c3C(O)=O; O=C(NC2Cc1ccccc1C2Cc3ccc
    4OCOc4c3C(=O)O)CCCN    		 5-[[(1S,2R)-2-(4-azanylbutanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid
    28425
    LP0    		 4 C10 H16 B N4 O9 P S InChI=1S/C10H16BN4O9PS/c1
    -10(2,8(17)18)23-15-6(5-3
    -26-9(12)14-5)7(16)13-4-1
    1(19)24-25(20,21)22/h3,19
    H,4H2,1-2H3,(H2,12,14)(H,
    13,16)(H,17,18)(H2,20,21,
    22)/b15-6-;
    NLJWLRKAKQZXHE-UUASQNMZSA-N    		 B(CNC(=O)C(=NOC(C)(C)C(=O)O)c1csc(n1)N)(
    O)OP(=O)(O)O; B(CNC(=O)/C(=N\OC(C)(C)C(=
    O)O)/c1csc(n1)N)(O)OP(=O)(O)O; CC(C)(ON=
    C(C(=O)NCB(O)O[P](O)(O)=O)c1csc(N)n1)C(O
    )=O; CC(C)(O\N=C(/C(=O)NCB(O)O[P](O)(O)=
    O)c1csc(N)n1)C(O)=O; OP(O)(=O)OB(O)CNC(\
    C(=N/OC(C)(C(O)=O)C)c1csc(n1)N)=O    		 (7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid
    28426
    LP1
    ZINC000085533286    		 4 C45 H58 N6 O7 InChI=1S/C45H58N6O7/c1-7-
    35(43(56)50-37(42(46)55)2
    3-31-18-12-16-29-14-8-10-
    20-33(29)31)48-40(54)25-3
    9(53)36(22-26(2)3)49-45(5
    8)41(27(4)5)51-44(57)38(4
    7-28(6)52)24-32-19-13-17-
    30-15-9-11-21-34(30)32/h8
    -21,26-27,35-39,41,53H,7,
    22-25H2,1-6H3,(H2,46,55)(
    H,47,52)(H,48,54)(H,49,58
    )(H,50,56)(H,51,57)/t35-,
    36-,37-,38-,39-,41-/m0/s1;
    ACPDNLLISIAERE-ZYWZKTPASA-N    		 CCC(C(=O)NC(Cc1cccc2c1cccc2)C(=O)N)NC(=O
    )CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(Cc3cc
    cc4c3cccc4)NC(=O)C)O; CC[C@@H](C(=O)N[C@
    @H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]
    ([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C
    @H](Cc3cccc4c3cccc4)NC(=O)C)O; CC[CH](NC
    (=O)C[CH](O)[CH](CC(C)C)NC(=O)[CH](NC(=O
    )[CH](Cc1cccc2ccccc12)NC(C)=O)C(C)C)C(=O
    )N[CH](Cc3cccc4ccccc34)C(N)=O; O=C(N)C(N
    C(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=
    O)C)Cc2cccc1ccccc12)C(C)C)CC(C)C)CC)Cc4c
    3ccccc3ccc4; CC[C@H](NC(=O)C[C@H](O)[C@H
    ](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc
    c2ccccc12)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc3
    cccc4ccccc34)C(N)=O    		 4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE
    28427
    LP2    		 0 C45 H58 N6 O7 InChI=1/C45H58N6O7/c1-7-3
    5(43(56)50-37(42(46)55)23
    -31-18-12-16-29-14-8-10-2
    0-33(29)31)48-40(54)25-39
    (53)36(22-26(2)3)49-45(58
    )41(27(4)5)51-44(57)38(47
    -28(6)52)24-32-19-13-17-3
    0-15-9-11-21-34(30)32/h8-
    21,26-27,35-39,41,53H,7,2
    2-25H2,1-6H3,(H2,46,55)(H
    ,47,52)(H,48,54)(H,49,58)
    (H,50,56)(H,51,57)/t35-,3
    6-,37-,38-,39-,41-/m0/s1/
    f/h47-51H,46H2;
    ACPDNLLISIAERE-GQSHMDMSDG    		 CCC(C(=O)NC(Cc1cccc2c1cccc2)C(=O)N)NC(=O
    )CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(Cc3cc
    cc4c3cccc4)NC(=O)C)O; CC[C@@H](C(=O)N[C@
    @H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]
    ([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C
    @H](Cc3cccc4c3cccc4)NC(=O)C)O; CC[CH](NC
    (=O)C[CH](O)[CH](CC(C)C)NC(=O)[CH](NC(=O
    )[CH](Cc1cccc2ccccc12)NC(C)=O)C(C)C)C(=O
    )N[CH](Cc3cccc4ccccc34)C(N)=O; O=C(N)C(N
    C(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=
    O)C)Cc2cccc1ccccc12)C(C)C)CC(C)C)CC)Cc4c
    3ccccc3ccc4; CC[C@H](NC(=O)C[C@H](O)[C@H
    ](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc
    c2ccccc12)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc3
    cccc4ccccc34)C(N)=O    		 N2-[[[3-NAPHTYL-N-METHYLCARBONYL-ALANINYL-VALINYL]-AMINO-[1-[2-METHYL-PROPANYL]-2-HYDROXY-PROPAN-3-YL]-CARBONYL]-3-METHYL-ALANYL]-3-NAPHTYL-ALANYL-AMINE
    28428
    LP3
    ZINC000032822175    		 12 C26 H55 N O7 P InChI=1S/C26H54NO7P/c1-5-
    6-7-8-9-10-11-12-13-14-15
    -16-17-18-19-20-26(29)32-
    23-25(28)24-34-35(30,31)3
    3-22-21-27(2,3)4/h25,28H,
    5-24H2,1-4H3/p+1/t25-/m1/
    s1;
    IHNKQIMGVNPMTC-RUZDIDTESA-O    		 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)
    (O)OCC[N+](C)(C)C)O; O=C(OCC(O)COP(=O)(O
    CC[N+](C)(C)C)O)CCCCCCCCCCCCCCCCC; CCCCC
    CCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OC
    C[N+](C)(C)C; CCCCCCCCCCCCCCCCCC(=O)OC[C
    @@H](O)CO[P@@](O)(=O)OCC[N+](C)(C)C; CCC
    CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+]
    (C)(C)C)O    		 (7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE
    28429
    LP4
    ZINC000098209125    		 12 C34 H66 N O12 P InChI=1S/C34H66NO12P/c1-3
    -5-7-9-11-13-15-17-19-21-
    26(37)23-29(39)35-31-33(3
    2(47-48(42,43)44)28(25-36
    )45-34(31)41)46-30(40)24-
    27(38)22-20-18-16-14-12-1
    0-8-6-4-2/h26-28,31-34,36
    -38,41H,3-25H2,1-2H3,(H,3
    5,39)(H2,42,43,44)/t26-,2
    7-,28-,31-,32-,33-,34-/m1
    /s1;
    AJRPJFBMHCTNGK-XQJZMFRCSA-N    		 CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@
    @H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)OC(=O)C
    [C@@H](CCCCCCCCCCC)O)O; CCCCCCCCCCC[C@@H
    ](O)CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H
    ](O[P](O)(O)=O)[C@@H]1OC(=O)C[C@H](O)CCC
    CCCCCCCC; CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC
    1O)CO)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)O)
    O; CCCCCCCCCCC[CH](O)CC(=O)N[CH]1[CH](O)
    O[CH](CO)[CH](O[P](O)(O)=O)[CH]1OC(=O)C[
    CH](O)CCCCCCCCCCC; O=P(O)(O)OC1C(OC(O)C(
    NC(=O)CC(O)CCCCCCCCCCC)C1OC(=O)CC(O)CCCC
    CCCCCCC)CO    		 2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose
    28430
    LP5
    ZINC000058650130    		 36 C34 H66 N O12 P InChI=1S/C34H66NO12P/c1-3
    -5-7-9-11-13-15-17-19-21-
    26(37)23-29(39)35-31-33(3
    2(41)28(25-36)45-34(31)47
    -48(42,43)44)46-30(40)24-
    27(38)22-20-18-16-14-12-1
    0-8-6-4-2/h26-28,31-34,36
    -38,41H,3-25H2,1-2H3,(H,3
    5,39)(H2,42,43,44)/t26-,2
    7-,28-,31-,32-,33-,34-/m1
    /s1;
    HEHQDWUWJVPREQ-XQJZMFRCSA-N    		 CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](O
    [C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)
    CCCCCCCCCCC)O[P](O)(O)=O; CCCCCCCCCCC[C@
    H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@
    @H]1OP(=O)(O)O)CO)O)OC(=O)C[C@@H](CCCCCC
    CCCCC)O)O; O=P(OC1OC(C(O)C(OC(=O)CC(O)CC
    CCCCCCCCC)C1NC(=O)CC(O)CCCCCCCCCCC)CO)(O
    )O; CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OP(=O
    )(O)O)CO)O)OC(=O)CC(CCCCCCCCCCC)O)O; CCC
    CCCCCCCC[CH](O)CC(=O)N[CH]1[CH](O[CH](CO
    )[CH](O)[CH]1OC(=O)C[CH](O)CCCCCCCCCCC)O
    [P](O)(O)=O    		 (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE
    28431
    LP6
    ZINC000058650291    		 0 C11 H22 N2 O2 InChI=1S/C11H22N2O2/c12-1
    0(11(14)15)6-2-5-9-13-7-3
    -1-4-8-13/h10H,1-9,12H2,(
    H,14,15)/t10-/m0/s1;
    UCDGEGRDGSSPQT-JTQLQIEISA-N    		 N[C@@H](CCCCN1CCCCC1)C(O)=O; C1CCN(CC1)C
    CCCC(C(=O)O)N; C1CCN(CC1)CCCC[C@@H](C(=O
    )O)N; N[CH](CCCCN1CCCCC1)C(O)=O; O=C(O)C
    (N)CCCCN1CCCCC1    		 6-piperidin-1-yl-L-norleucine
    28432
    LP7
    ZINC000058650134    		 1 C11 H12 N2 O5 InChI=1S/C11H12N2O5/c1-2-
    18-11(16)7-8(14)6-4-3-5-1
    2-9(6)13(17)10(7)15/h3-5,
    7-8,14,17H,2H2,1H3/t7-,8-
    /m0/s1;
    MTVPGFFXVTZGIM-YUMQZZPRSA-N    		 CCOC(=O)[C@H]1C(c2cccnc2N(C1=O)O)O; CCOC
    (=O)[C@H]1[C@@H](O)c2cccnc2N(O)C1=O; CCO
    C(=O)[CH]1[CH](O)c2cccnc2N(O)C1=O; CCOC(
    =O)C1C(c2cccnc2N(C1=O)O)O    		 ethyl 1,4-dihydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate
    28433
    LP8
    ZINC000103548756    		 1 C13 H14 N2 O3 InChI=1S/C13H14N2O3/c16-1
    1-9-6-3-7-14-12(9)15(18)1
    3(17)10(11)8-4-1-2-5-8/h3
    ,6-8,16,18H,1-2,4-5H2;
    QHMJHXXRZXAFLA-UHFFFAOYSA-N    		 c1cc2c(nc1)N(C(=O)C(=C2O)C3CCCC3)O; ON1C
    (=O)C(=C(O)c2cccnc12)C3CCCC3    		 3-cyclopentyl-1,4-dihydroxy-1,8-naphthyridin-2(1H)-one
    28434
    LP9
    ZINC000103548763    		 3 C21 H23 N3 O6 InChI=1S/C21H23N3O6/c1-4-
    23(5-2)13-7-9-14(10-8-13)
    30-15-11-16-18(25)17(21(2
    7)29-6-3)20(26)24(28)19(1
    6)22-12-15/h7-12,25,28H,4
    -6H2,1-3H3;
    ZAOGVQGDYHKJCT-UHFFFAOYSA-N    		 CCN(CC)c1ccc(cc1)Oc2cc3c(nc2)N(C(=O)C(=C
    3O)C(=O)OCC)O; CCOC(=O)C1=C(O)c2cc(Oc3cc
    c(cc3)N(CC)CC)cnc2N(O)C1=O    		 3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium
    28435
    LPA
    CHEMBL134342
    DB00166
    ZINC000001544807    		 15 C8 H14 O2 S2 InChI=1S/C8H14O2S2/c9-8(1
    0)4-2-1-3-7-5-6-11-12-7/h
    7H,1-6H2,(H,9,10)/t7-/m1/
    s1;
    AGBQKNBQESQNJD-SSDOTTSWSA-N    		 C1CSS[C@@H]1CCCCC(=O)O; OC(=O)CCCC[CH]1C
    CSS1; C1CSSC1CCCCC(=O)O; OC(=O)CCCC[C@@H
    ]1CCSS1; O=C(O)CCCCC1SSCC1    		 LIPOIC ACID;
    5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid
    28436
    LPB
    CHEMBL1234071
    ZINC000001532729    		 1 C8 H14 O2 S2 InChI=1S/C8H14O2S2/c9-8(1
    0)4-2-1-3-7-5-6-11-12-7/h
    7H,1-6H2,(H,9,10)/t7-/m0/
    s1;
    AGBQKNBQESQNJD-ZETCQYMHSA-N    		 OC(=O)CCCC[CH]1CCSS1; C1CSSC1CCCCC(=O)O;
    C1CSS[C@H]1CCCCC(=O)O; OC(=O)CCCC[C@H]1
    CCSS1; O=C(O)CCCCC1SSCC1    		 5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid
    28437
    LPC
    ZINC000015297567    		 21 C22 H47 N O7 P InChI=1S/C22H46NO7P/c1-5-
    6-7-8-9-10-11-12-13-14-15
    -16-22(25)28-19-21(24)20-
    30-31(26,27)29-18-17-23(2
    ,3)4/h21,24H,5-20H2,1-4H3
    /p+1/t21-/m1/s1;
    VXUOFDJKYGDUJI-OAQYLSRUSA-O    		 CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](
    C)(C)C)O; CCCCCCCCCCCCCC(=O)OC[C@@H](O)C
    O[P@@](O)(=O)OCC[N+](C)(C)C; CCCCCCCCCCC
    CCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C
    )C)O; CCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O
    )(=O)OCC[N+](C)(C)C; O=C(OCC(O)COP(=O)(O
    CC[N+](C)(C)C)O)CCCCCCCCCCCCC    		 [1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE
    28438
    LPD
    CHEMBL1222059
    ZINC000000391898    		 10 C5 H10 N2 O InChI=1S/C5H10N2O/c6-5(8)
    4-2-1-3-7-4/h4,7H,1-3H2,(
    H2,6,8)/t4-/m0/s1;
    VLJNHYLEOZPXFW-BYPYZUCNSA-N    		 NC(=O)[CH]1CCCN1; NC(=O)[C@@H]1CCCN1; C1
    CC(NC1)C(=O)N; C1C[C@H](NC1)C(=O)N; O=C(
    N)C1NCCC1    		 L-PROLINAMIDE
    28439
    LPE
    DB03633
    ZINC000008860508    		 226 C26 H57 N O6 P InChI=1S/C26H56NO6P/c1-5-
    6-7-8-9-10-11-12-13-14-15
    -16-17-18-19-20-22-31-24-
    26(28)25-33-34(29,30)32-2
    3-21-27(2,3)4/h26,28H,5-2
    5H2,1-4H3/p+1/t26-/m1/s1;
    XKBJVQHMEXMFDZ-AREMUKBSSA-O    		 CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](
    C)(C)C)O; CCCCCCCCCCCCCCCCCCOC[C@H](CO[P
    @@](=O)(O)OCC[N+](C)(C)C)O; O=P(OCC(O)CO
    CCCCCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)O; CC
    CCCCCCCCCCCCCCCCOC[C@@H](O)CO[P@](O)(=O)
    OCC[N+](C)(C)C; CCCCCCCCCCCCCCCCCCOC[CH]
    (O)CO[P](O)(=O)OCC[N+](C)(C)C    		 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE;
    LPC-ETHER
    28440
    LPF
    DB08119    		 2 C18 H23 F3 N2 O3 InChI=1S/C18H23F3N2O3/c1-
    11(2)9-15(22-12(3)24)17(2
    6)23-14(16(25)18(19,20)21
    )10-13-7-5-4-6-8-13/h4-8,
    11,14-15H,9-10H2,1-3H3,(H
    ,22,24)(H,23,26)/t14-,15-
    /m0/s1;
    MZNXJCZDQRNGRC-GJZGRUSLSA-N    		 CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F)
    NC(=O)C; CC(C)C[CH](NC(C)=O)C(=O)N[CH](C
    c1ccccc1)C(=O)C(F)(F)F; FC(F)(F)C(=O)C(N
    C(=O)C(NC(=O)C)CC(C)C)Cc1ccccc1; CC(C)C[
    C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O
    )C(F)(F)F; CC(C)C[C@@H](C(=O)N[C@@H](Cc1
    ccccc1)C(=O)C(F)(F)F)NC(=O)C    		 1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
    28441
    LPG
    DB04217    		 1 C4 H5 N O2 InChI=1S/C4H5NO2/c1-2-3(5
    )4(6)7/h1,3H,5H2,(H,6,7)/
    t3-/m0/s1;
    DSUAJFIEKRKPEE-VKHMYHEASA-N    		 C#CC(C(=O)O)N; N[CH](C#C)C(O)=O; N[C@@H]
    (C#C)C(O)=O; C#C[C@@H](C(=O)O)N; C#CC(N)
    C(=O)O    		 (2S)-2-aminobut-3-ynoic acid;
    2-AMINO-BUT-3-YNOIC ACID;
    2-amino-3-butynoic acid
    28442
    LPH
    CHEMBL50483
    ZINC000002046243    		 1 C5 H7 N O2 InChI=1S/C5H7NO2/c1-2-3-4
    (6)5(7)8/h1,4H,3,6H2,(H,7
    ,8)/t4-/m0/s1;
    DGYHPLMPMRKMPD-BYPYZUCNSA-N    		 N[C@@H](CC#C)C(O)=O; N[CH](CC#C)C(O)=O;
    O=C(O)C(N)CC#C; C#CC[C@@H](C(=O)O)N; C#C
    CC(C(=O)O)N    		 L-Propargylglycine;
    (2S)-2-aminopent-4-ynoic acid
    28443
    LPI    		 4 C13 H21 N2 O7 P S InChI=1S/C13H21N2O7PS/c1-
    8-12(16)10(6-15-11(13(17)
    18)3-4-24-2)9(5-14-8)7-22
    -23(19,20)21/h5,11,15-16H
    ,3-4,6-7H2,1-2H3,(H,17,18
    )(H2,19,20,21)/t11-/m0/s1;
    TZGVKKRKUOYYOG-NSHDSACASA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCSC)C(=O)O
    )O; O=P(O)(O)OCc1cnc(c(c1CNC(CCSC)C(O)=O
    )O)C; Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](
    CCSC)C(=O)O)O; CSCC[C@H](NCc1c(O)c(C)ncc
    1CO[P](O)(O)=O)C(O)=O; CSCC[CH](NCc1c(O)
    c(C)ncc1CO[P](O)(O)=O)C(O)=O    		 N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-methionine
    28444
    LPJ    		 4 Fe6 S7 InChI=1S/6Fe.7S;
    KLKIXVGTRIXICL-UHFFFAOYSA-N    		 S1[Fe]S[Fe](S[Fe]1)S[Fe]2S[Fe]S[Fe]S2; S
    1[Fe][S]2[Fe]1S[Fe]2[S]3[Fe]4S[Fe]5[S]4[
    Fe]3S5    		 FE(6)-S(7) CLUSTER
    28445
    LPK
    ZINC000005131823    		 1 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3(9
    )5(11)6(12)4(10)2-8/h3,5-
    9,11-12H,1-2H2/t3-,5-,6+/
    m0/s1;
    BJHIKXHVCXFQLS-ZXEDONINSA-N    		 O=C(C(O)C(O)C(O)CO)CO; C(C(C(C(C(=O)CO)O
    )O)O)O; OC[C@H](O)[C@H](O)[C@H](O)C(=O)C
    O; OC[CH](O)[CH](O)[CH](O)C(=O)CO; C([C@
    @H]([C@@H]([C@@H](C(=O)CO)O)O)O)O    		 L-psicose
    28446
    LPL
    ZINC000058638979    		 0 C13 H27 N O3 InChI=1S/C13H27NO3/c1-8(2
    )5-10(13(16)17)7-12(15)11
    (14)6-9(3)4/h8-12,15H,5-7
    ,14H2,1-4H3,(H,16,17)/t10
    -,11+,12+/m1/s1;
    VQUMYZBNWKMCTB-WOPDTQHZSA-N    		 CC(C)C[C@H](N)[C@@H](O)C[C@@H](CC(C)C)C(
    O)=O; CC(C)CC(CC(C(CC(C)C)N)O)C(=O)O; CC
    (C)C[C@H](C[C@@H]([C@H](CC(C)C)N)O)C(=O)
    O; O=C(O)C(CC(C)C)CC(O)C(N)CC(C)C; CC(C)
    C[CH](N)[CH](O)C[CH](CC(C)C)C(O)=O    		 LEU-HYDROXYETHYLENE-LEU
    28447
    LPM
    DB08120
    ZINC000003869863    		 1 C8 H17 N O S2 InChI=1S/C8H17NOS2/c9-8(1
    0)4-2-1-3-7(12)5-6-11/h7,
    11-12H,1-6H2,(H2,9,10)/t7
    -/m1/s1;
    VLYUGYAKYZETRF-SSDOTTSWSA-N    		 NC(=O)CCCC[CH](S)CCS; O=C(N)CCCCC(S)CCS;
    C(CCC(=O)N)CC(CCS)S; C(CCC(=O)N)C[C@H](
    CCS)S; NC(=O)CCCC[C@@H](S)CCS    		 6,8-DIMERCAPTO-OCTANOIC ACID AMIDE
    28448
    LPN
    CHEMBL1269671
    ZINC000072147637    		 3 C35 H41 Cl3 N2 O4 InChI=1S/C35H41Cl3N2O4/c1
    -23-18-32(37)34(33(38)19-
    23)44-17-16-43-28-10-6-25
    (7-11-28)29-13-14-39-21-3
    0(29)35(41)40(27-8-9-27)2
    2-26-20-24(4-3-15-42-2)5-
    12-31(26)36/h5-7,10-12,18
    -20,27,29-30,39H,3-4,8-9,
    13-17,21-22H2,1-2H3/t29-,
    30+/m1/s1;
    RDCUZWVELSAOBC-IHLOFXLRSA-N    		 O=C(N(C1CC1)Cc2cc(ccc2Cl)CCCOC)C5C(c4ccc
    (OCCOc3c(Cl)cc(cc3Cl)C)cc4)CCNC5; Cc1cc(
    c(c(c1)Cl)OCCOc2ccc(cc2)C3CCNCC3C(=O)N(C
    c4cc(ccc4Cl)CCCOC)C5CC5)Cl; Cc1cc(c(c(c1
    )Cl)OCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3C(=O)
    N(Cc4cc(ccc4Cl)CCCOC)C5CC5)Cl; COCCCc1cc
    c(Cl)c(CN(C2CC2)C(=O)[C@H]3CNCC[C@@H]3c4
    ccc(OCCOc5c(Cl)cc(C)cc5Cl)cc4)c1; COCCCc
    1ccc(Cl)c(CN(C2CC2)C(=O)[CH]3CNCC[CH]3c4
    ccc(OCCOc5c(Cl)cc(C)cc5Cl)cc4)c1    		 (3R,4S)-N-[2-chloro-5-(3-methoxypropyl)benzyl]-N-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide
    28449
    LPO
    CHEMBL1234078
    ZINC000058638981    		 4 C33 H38 Cl3 N3 O5 InChI=1S/C33H38Cl3N3O5/c1
    -21-15-28(35)31(29(36)16-
    21)44-14-13-43-30-8-4-24(
    18-38-30)33(41)10-11-37-1
    9-26(33)32(40)39(25-5-6-2
    5)20-23-17-22(9-12-42-2)3
    -7-27(23)34/h3-4,7-8,15-1
    8,25-26,37,41H,5-6,9-14,1
    9-20H2,1-2H3/t26-,33+/m1/
    s1;
    ACRSSIRQZLKXJN-NYFMKLKXSA-N    		 Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)C3(CCNCC3C
    (=O)N(Cc4cc(ccc4Cl)CCOC)C5CC5)O)Cl; Cc1c
    c(c(c(c1)Cl)OCCOc2ccc(cn2)[C@]3(CCNC[C@@
    H]3C(=O)N(Cc4cc(ccc4Cl)CCOC)C5CC5)O)Cl;
    COCCc1ccc(Cl)c(CN(C2CC2)C(=O)[CH]3CNCC[C
    ]3(O)c4ccc(OCCOc5c(Cl)cc(C)cc5Cl)nc4)c1;
    O=C(N(C1CC1)Cc2cc(ccc2Cl)CCOC)C5C(O)(c4
    ccc(OCCOc3c(Cl)cc(cc3Cl)C)nc4)CCNC5; COC
    Cc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]3CNCC[C@]
    3(O)c4ccc(OCCOc5c(Cl)cc(C)cc5Cl)nc4)c1    		 (3S,4R)-N-[2-chloro-5-(2-methoxyethyl)benzyl]-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide;
    (3'S,4'R)-6-[2-(2,6-Dichloro-4-methyl-phenoxy)-ethoxy]-4'-hydroxy-1',2',3',4',5',6'-hexahydro-[3,4']bipyridinyl-3'-carboxylic acid [2-chloro-5-(2-methoxy-ethyl)-benzyl]-cyclopropyl-amide
    28450
    LPP
    ZINC000008860533    		 0 C35 H69 O8 P InChI=1S/C35H69O8P/c1-3-5
    -7-9-11-13-15-17-19-21-23
    -25-27-29-34(36)41-31-33(
    32-42-44(38,39)40)43-35(3
    7)30-28-26-24-22-20-18-16
    -14-12-10-8-6-4-2/h33H,3-
    32H2,1-2H3,(H2,38,39,40)/
    t33-/m1/s1;
    PORPENFLTBBHSG-MGBGTMOVSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)
    OC(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(
    =O)OC[C@H](CO[P](O)(O)=O)OC(=O)CCCCCCCCC
    CCCCCC; CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]
    (O)(O)=O)OC(=O)CCCCCCCCCCCCCCC; O=P(O)(O
    CC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCC
    CCCCCCC)O; CCCCCCCCCCCCCCCC(=O)OCC(COP(=
    O)(O)O)OC(=O)CCCCCCCCCCCCCCC    		 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE;
    1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE;
    L-B,G-DIPALMITOYL-A-PHOSPHATIDIC ACID DISODIUM SALT;
    3-SN-PHOSPHATIDIC ACID;
    1,2-DIPALMITOYLDISODIUM SALT
    28451
    LPQ
    ZINC000058638984    		 4 C34 H39 Cl3 N4 O3 InChI=1S/C34H39Cl3N4O3/c1
    -21-14-30(36)33(31(37)15-
    21)44-13-12-43-32-9-3-23(
    18-40-32)27-10-11-38-19-2
    8(27)34(42)41(26-6-7-26)2
    0-24-16-22(2-8-29(24)35)1
    7-39-25-4-5-25/h2-3,8-9,1
    4-16,18,25-28,38-39H,4-7,
    10-13,17,19-20H2,1H3/t27-
    ,28+/m1/s1;
    MUNGQQYSICIEKG-IZLXSDGUSA-N    		 Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)[C@H]3CCNC
    [C@@H]3C(=O)N(Cc4cc(ccc4Cl)CNC5CC5)C6CC6
    )Cl; Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)C3CCN
    CC3C(=O)N(Cc4cc(ccc4Cl)CNC5CC5)C6CC6)Cl;
    Cc1cc(Cl)c(OCCOc2ccc(cn2)[C@H]3CCNC[C@@
    H]3C(=O)N(Cc4cc(CNC5CC5)ccc4Cl)C6CC6)c(C
    l)c1; O=C(N(C1CC1)Cc2cc(ccc2Cl)CNC3CC3)C
    6C(c5ccc(OCCOc4c(Cl)cc(cc4Cl)C)nc5)CCNC6
    ; Cc1cc(Cl)c(OCCOc2ccc(cn2)[CH]3CCNC[CH]
    3C(=O)N(Cc4cc(CNC5CC5)ccc4Cl)C6CC6)c(Cl)
    c1    		 (3R,4S)-N-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide;
    (3'R,4'S)-6-[2-(2,6-Dichloro-4-methyl-phenoxy)-ethoxy]-1',2',3',4',5',6'-hexahydro-[3,4']bipyridinyl-3'-carboxylic acid (2-chloro-5-cyclopropylaminomethyl-benzyl)-cyclopropyl-amide
    28452
    LPR
    CHEMBL1237
    DB00722
    ZINC000003812863    		 6 C21 H31 N3 O5 InChI=1S/C21H31N3O5/c22-1
    3-5-4-9-16(19(25)24-14-6-
    10-18(24)21(28)29)23-17(2
    0(26)27)12-11-15-7-2-1-3-
    8-15/h1-3,7-8,16-18,23H,4
    -6,9-14,22H2,(H,26,27)(H,
    28,29)/t16-,17-,18-/m0/s1;
    RLAWWYSOJDYHDC-BZSNNMDCSA-N    		 NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=
    O)N2CCC[C@H]2C(O)=O; NCCCC[CH](N[CH](CCc
    1ccccc1)C(O)=O)C(=O)N2CCC[CH]2C(O)=O; O=
    C(O)C2N(C(=O)C(NC(C(=O)O)CCc1ccccc1)CCCC
    N)CCC2; c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H
    ](CCCCN)C(=O)N2CCC[C@H]2C(=O)O; c1ccc(cc
    1)CCC(C(=O)O)NC(CCCCN)C(=O)N2CCCC2C(=O)O    		 [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-L-LYSYL-L-PROLINE;
    LISINOPRIL
    28453
    LPS
    DB04136
    ZINC000038377594    		 2 C21 H44 N O9 P InChI=1S/C21H44NO9P/c1-2-
    3-4-5-6-7-8-9-10-11-12-13
    -14-20(24)29-15-18(23)16-
    30-32(27,28)31-17-19(22)2
    1(25)26/h18-20,23-24H,2-1
    7,22H2,1H3,(H,25,26)(H,27
    ,28)/t18-,19+,20-/m1/s1;
    RPZLJDFLPRHXGM-HSALFYBXSA-N    		 CCCCCCCCCCCCCC[CH](O)OC[CH](O)CO[P](O)(=
    O)OC[CH](N)C(O)=O; CCCCCCCCCCCCCC[C@H](O
    )OC[C@@H](O)CO[P@@](O)(=O)OC[C@H](N)C(O)
    =O; CCCCCCCCCCCCCCC(O)OCC(COP(=O)(O)OCC(
    C(=O)O)N)O; O=C(O)C(N)COP(=O)(OCC(O)COC(
    O)CCCCCCCCCCCCCC)O; CCCCCCCCCCCCCCC(O)OC
    [C@H](CO[P@](=O)(O)OC[C@@H](C(=O)O)N)O    		 O-{HYDROXY[((2R)-2-HYDROXY-3-{[(1S)-1-HYDROXYPENTADECYL]OXY}PROPYL)OXY]PHOSPHORYL}-L-SERINE;
    LYSOPHOSPHOTIDYLSERINE
    28454
    LPT    		 0 C6 H16 N2 Pt InChI=1S/C6H13N.H3N.Pt/c7
    -6-4-2-1-3-5-6;;/h6H,1-5,
    7H2;1H3;/q;;+2;
    QJZANKJSFCKQEM-UHFFFAOYSA-N    		 C1CCC(CC1)[NH2][Pt+2][NH3]; N.[Pt++].NC1
    CCCCC1    		 CIS-(AMMINE)(CYCLOHEXYLAMINE)PLATINUM(II) COMPLEX
    28455
    LPU
    ZINC000019780673    		 7 C6 H13 N O3 S InChI=1S/C6H13NO3S/c1-11(
    9,10)7-4-2-6(8)3-5-7/h6,8
    H,2-5H2,1H3;
    UPEFDWJLNXWMOW-UHFFFAOYSA-N    		 C[S](=O)(=O)N1CCC(O)CC1; CS(=O)(=O)N1CCC
    (CC1)O; OC1CCN(CC1)S(=O)(C)=O    		 1-(methanesulfonyl)piperidin-4-ol
    28456
    LPV    		 0 C24 H34 N2 O3 InChI=1S/C24H34N2O3/c1-3-
    4-8-19-11-13-22(14-12-19)
    29-16-15-21(17-20-9-6-5-7
    -10-20)26-24(28)23(27)18(
    2)25/h5-7,9-14,18,21,23,2
    7H,3-4,8,15-17,25H2,1-2H3
    ,(H,26,28)/t18-,21-,23+/m
    0/s1;
    NJJDDOXTSSONSJ-AVCGJXAMSA-N    		 CCCCc1ccc(OCC[CH](Cc2ccccc2)NC(=O)[CH](O
    )[CH](C)N)cc1; CCCCc1ccc(cc1)OCC[C@@H](C
    c2ccccc2)NC(=O)[C@@H]([C@H](C)N)O; CCCCc
    1ccc(OCC[C@@H](Cc2ccccc2)NC(=O)[C@H](O)[
    C@H](C)N)cc1; CCCCc1ccc(cc1)OCCC(Cc2cccc
    c2)NC(=O)C(C(C)N)O    		 (2~{R},3~{S})-3-azanyl-~{N}-[(2~{R})-4-(4-butylphenoxy)-1-phenyl-butan-2-yl]-2-oxidanyl-butanamide
    28457
    LPW
    CHEMBL584365
    ZINC000045321374    		 2 C21 H19 N O5 S InChI=1S/C21H19NO5S/c1-27
    -18-10-6-15(7-11-18)16-8-
    12-19(13-9-16)28(25,26)20
    -5-3-2-4-17(20)14-21(23)2
    2-24/h2-13,24H,14H2,1H3,(
    H,22,23);
    DJZNIZCARKSSDE-UHFFFAOYSA-N    		 COc1ccc(cc1)c2ccc(cc2)[S](=O)(=O)c3ccccc
    3CC(=O)NO; COc1ccc(cc1)c2ccc(cc2)S(=O)(=
    O)c3ccccc3CC(=O)NO    		 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{N}-oxidanyl-ethanamide
    28458
    LPX
    ZINC000032840705    		 28 C21 H44 N O7 P InChI=1S/C21H44NO7P/c1-2-
    3-4-5-6-7-8-9-10-11-12-13
    -14-15-21(24)27-18-20(23)
    19-29-30(25,26)28-17-16-2
    2/h20,23H,2-19,22H2,1H3,(
    H,25,26)/t20-/m0/s1;
    YVYMBNSKXOXSKW-FQEVSTJZSA-N    		 O=C(OCC(O)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC
    ; CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O
    )(O)OCCN)O; CCCCCCCCCCCCCCCC(=O)OCC(COP(
    =O)(O)OCCN)O; CCCCCCCCCCCCCCCC(=O)OC[C@H
    ](O)CO[P@@](O)(=O)OCCN; CCCCCCCCCCCCCCCC
    (=O)OC[CH](O)CO[P](O)(=O)OCCN    		 (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate
    28459
    LPY
    ZINC000263620935    		 2 C22 H43 O12 P InChI=1S/C22H43O12P/c1-2-
    3-4-5-6-7-8-9-10-11-12-16
    (24)32-13-15(23)14-33-35(
    30,31)34-22-20(28)18(26)1
    7(25)19(27)21(22)29/h15,1
    7-23,25-29H,2-14H2,1H3,(H
    ,30,31)/t15-,17-,18-,19+,
    20-,21-,22-/m1/s1;
    QGSQXOJTKFYHRK-FBYKMOGESA-N    		 CCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(
    C(C1O)O)O)O)O)O; CCCCCCCCCCCCC(=O)OC[C@@
    H](O)CO[P](O)(=O)O[C@H]1[C@H](O)[C@@H](O
    )[C@H](O)[C@@H](O)[C@H]1O; CCCCCCCCCCCCC
    (=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C(
    [C@H]([C@H]1O)O)O)O)O)O; CCCCCCCCCCCCC(=
    O)OC[CH](O)CO[P](O)(=O)O[CH]1[CH](O)[CH]
    (O)[CH](O)[CH](O)[CH]1O; P(OC1C(O)C(O)C(
    O)C(O)C1O)(O)(=O)OCC(O)COC(=O)CCCCCCCCCC
    CC    		 (2R)-2-hydroxy-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl tridecanoate;
    sn-1-tridecanoyl-phosphatidylinositol
    28460
    LPZ    		 4 C14 H21 N2 O2 InChI=1S/C14H20N2O2/c1-12
    -3-5-13(6-4-12)18-11-14(1
    7)16-9-7-15(2)8-10-16/h3-
    6H,7-11H2,1-2H3/p+1;
    GIIIJZOPGUFGBF-UHFFFAOYSA-O    		 C[NH+]1CCN(CC1)C(=O)COc2ccc(C)cc2; Cc1cc
    c(cc1)OCC(=O)N2CC[NH+](CC2)C    		 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
    28461
    LQ0    		 1 C16 H14 Cl N3 O InChI=1S/C16H14ClN3O/c1-1
    1-4-6-18-9-14(11)19-16(21
    )10-20-7-5-12-2-3-13(17)8
    -15(12)20/h2-9H,10H2,1H3,
    (H,19,21);
    YPZKHKYPLKRQED-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)Cn2ccc3ccc(Cl)cc23; Cc1cc
    ncc1NC(=O)Cn2ccc3c2cc(cc3)Cl; Cc1ccncc1N
    C(=O)Cn1ccc2ccc(Cl)cc21    		 2-(6-chloro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide
    28462
    LQ2
    CHEMBL335258
    ZINC000001494945    		 1 C8 H7 N O3 InChI=1S/C8H7NO3/c9-7(10)
    5-1-3-6(4-2-5)8(11)12/h1-
    4H,(H2,9,10)(H,11,12);
    JMHSCWJIDIKGNZ-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)N)C(=O)O; NC(=O)c1ccc(cc1)
    C(O)=O    		 4-aminocarbonylbenzoic acid
    28463
    LQ3    		 4 C6 H5 F2 N O2 InChI=1S/C6H5F2NO2/c7-6(8
    )11-4-1-2-5(10)9-3-4/h1-4
    ,6H/t4-/m0/s1;
    LTVXNUWMTTYHRL-BYPYZUCNSA-N    		 FC(F)O[C@H]1C=CC(=O)N=C1; O=C1C=CC(OC(F)
    F)C=N1; C1=CC(=O)N=CC1OC(F)F; FC(F)O[CH]
    1C=CC(=O)N=C1    		 (5S)-5-(difluoromethoxy)pyridin-2(5H)-one
    28464
    LQ4
    CHEMBL465843
    ZINC000000899053    		 8 C17 H19 N O5 InChI=1S/C17H19NO5/c1-21-
    13-10-12(11-14(22-2)17(13
    )23-3)7-8-16(20)18-9-5-4-
    6-15(18)19/h4,6-8,10-11H,
    5,9H2,1-3H3/b8-7+;
    VABYUUZNAVQNPG-BQYQJAHWSA-N    		 C2C=CC(N(C([C@H]=[C@H]c1cc(OC)c(c(c1)OC)
    OC)=O)C2)=O; COc1cc(cc(c1OC)OC)/C=C/C(=O
    )N2CCC=CC2=O; COc1cc(C=CC(=O)N2CCC=CC2=O
    )cc(OC)c1OC; COc1cc(cc(c1OC)OC)C=CC(=O)N
    2CCC=CC2=O; COc1cc(/C=C/C(=O)N2CCC=CC2=O
    )cc(OC)c1OC    		 piperlongumine;
    1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-5,6-dihydropyridin-2(1H)-one
    28465
    LQ5
    CHEMBL4472486
    ZINC000139929867    		 2 C24 H26 F3 N7 O2 InChI=1S/C24H26F3N7O2/c1-
    33-10-12-34(13-11-33)15-1
    6-2-3-18(14-20(16)24(25,2
    6)27)31-23(35)30-17-4-6-1
    9(7-5-17)36-21-8-9-29-22(
    28)32-21/h2-9,14H,10-13,1
    5H2,1H3,(H2,28,29,32)(H2,
    30,31,35);
    PWDLXPJQFNVTNL-UHFFFAOYSA-N    		 CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)Nc3c
    cc(cc3)Oc4ccnc(n4)N; CN1CCN(CC1)Cc2ccc(N
    C(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F    		 1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
    28466
    LQ6
    CHEMBL5204987    		 1 C21 H19 Cl2 N5 O4 S InChI=1S/C21H19Cl2N5O4S/c
    22-14-4-3-12(8-15(14)23)2
    8-6-5-27(20(31)16-9-18(29
    )26-21(32)25-16)11-17(28)
    19(30)24-10-13-2-1-7-33-1
    3/h1-4,7-9,17H,5-6,10-11H
    2,(H,24,30)(H2,25,26,29,3
    2)/t17-/m0/s1;
    PBLOKSLGZKWIQI-KRWDZBQOSA-N    		 c1cc(sc1)CNC(=O)C2CN(CCN2c3ccc(c(c3)Cl)C
    l)C(=O)C4=CC(=O)NC(=O)N4; c1cc(sc1)CNC(=
    O)[C@@H]2CN(CCN2c3ccc(c(c3)Cl)Cl)C(=O)C4
    =CC(=O)NC(=O)N4; Clc1ccc(cc1Cl)N2CCN(C[C
    H]2C(=O)NCc3sccc3)C(=O)C4=CC(=O)NC(=O)N4
    ; Clc1ccc(cc1Cl)N2CCN(C[C@H]2C(=O)NCc3sc
    cc3)C(=O)C4=CC(=O)NC(=O)N4    		 (2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
    28467
    LQ7
    CHEMBL1289953
    ZINC000035076019    		 8 C23 H26 N2 O2 S InChI=1S/C23H26N2O2S/c1-1
    8-7-4-8-19(15-18)17-27-22
    -11-3-2-10-21(22)23(26)25
    (13-6-12-24)16-20-9-5-14-
    28-20/h2-5,7-11,14-15H,6,
    12-13,16-17,24H2,1H3;
    LCQJRANJHOEQFG-UHFFFAOYSA-N    		 C(=O)(c1c(cccc1)OCc2cc(C)ccc2)N(Cc3cccs3
    )CCCN; Cc1cccc(c1)COc2ccccc2C(=O)N(CCCN)
    Cc3cccs3; Cc1cccc(COc2ccccc2C(=O)N(CCCN)
    Cc3sccc3)c1    		 N-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-N-[(thiophen-2-yl)methyl]benzamide
    28468
    LQ8
    CHEMBL4636738    		 1 C28 H30 N2 O7 InChI=1S/C28H30N2O7/c31-1
    4-15-37-24-11-5-10-17-18(
    24)12-13-29(25(32)21-8-3-
    4-9-22(21)28(35)36)23(17)
    16-30-26(33)19-6-1-2-7-20
    (19)27(30)34/h1-2,5-7,10-
    11,21-23,31H,3-4,8-9,12-1
    6H2,(H,35,36)/t21-,22+,23
    -/m1/s1;
    OAFSXLXCZSBCHE-XPWALMASSA-N    		 c1ccc2c(c1)C(=O)N(C2=O)CC3c4cccc(c4CCN3C
    (=O)C5CCCCC5C(=O)O)OCCO; OCCOc1cccc2[C@@
    H](CN3C(=O)c4ccccc4C3=O)N(CCc12)C(=O)[C@
    @H]5CCCC[C@@H]5C(O)=O; c1ccc2c(c1)C(=O)N
    (C2=O)C[C@@H]3c4cccc(c4CCN3C(=O)[C@@H]5C
    CCC[C@@H]5C(=O)O)OCCO; OCCOc1cccc2[CH](C
    N3C(=O)c4ccccc4C3=O)N(CCc12)C(=O)[CH]5CC
    CC[CH]5C(O)=O    		 (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid
    28469
    LQ9
    CHEMBL4788669    		 4 C16 H15 F3 N6 O3 InChI=1S/C16H15F3N6O3/c1-
    8(21-14(26)10-7-11(16(17,
    18)19)23-25(10)2)15-22-13
    (24-28-15)9-4-5-20-12(6-9
    )27-3/h4-8H,1-3H3,(H,21,2
    6)/t8-/m0/s1;
    HBUQPGAOVFRJMM-QMMMGPOBSA-N    		 C[C@@H](c1nc(no1)c2ccnc(c2)OC)NC(=O)c3cc
    (nn3C)C(F)(F)F; CC(c1nc(no1)c2ccnc(c2)OC
    )NC(=O)c3cc(nn3C)C(F)(F)F; COc1cc(ccn1)c
    2noc(n2)[CH](C)NC(=O)c3cc(nn3C)C(F)(F)F;
    COc1cc(ccn1)c2noc(n2)[C@H](C)NC(=O)c3cc
    (nn3C)C(F)(F)F    		 ~{N}-[(1~{S})-1-[3-(2-methoxypyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
    28470
    LQA    		 1 C25 H23 N3 O4 InChI=1S/C25H23N3O4/c1-14
    (2)32-21-5-4-15(8-22(21)2
    9-3)17-10-20-18-11-24-23(
    30-13-31-24)9-16(18)6-7-2
    8(20)25(27)19(17)12-26/h4
    -5,8-11,14,27H,6-7,13H2,1
    -3H3/b27-25-;
    LVLOUZWLCDLTGX-RFBIWTDZSA-N    		 COc1cc(ccc1OC(C)C)C2=C(C#N)C(=N)N3CCc4cc
    5OCOc5cc4C3=C2; [H]/N=C\1/C(=C(C=C2N1CCc
    3c2cc4c(c3)OCO4)c5ccc(c(c5)OC)OC(C)C)C#N
    ; CC(C)Oc1ccc(cc1OC)C2=C(C(=N)N3CCc4cc5c
    (cc4C3=C2)OCO5)C#N    		 4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile
    28471
    LQB
    CHEMBL5282599
    ZINC000004117518    		 2 C20 H20 N4 O2 InChI=1S/C20H20N4O2/c1-14
    -11-15(2)23(21-14)20-12-1
    8(7-8-19(20)24(25)26)22-1
    0-9-16-5-3-4-6-17(16)13-2
    2/h3-8,11-12H,9-10,13H2,1
    -2H3;
    PNNJMGGZMFGNDB-UHFFFAOYSA-N    		 Cc1cc(n(n1)c2cc(ccc2[N+](=O)[O-])N3CCc4c
    cccc4C3)C; Cc1cc(C)n(n1)c2cc(ccc2[N+]([O
    -])=O)N3CCc4ccccc4C3    		 2-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline
    28472
    LQD
    CHEMBL4074159
    ZINC000584905614    		 3 C23 H29 N3 O InChI=1S/C23H29N3O/c1-24(
    2)22-16-26(13-17-9-5-8-12
    -23(17)27-4)15-20(22)19-1
    4-25(3)21-11-7-6-10-18(19
    )21/h5-12,14,20,22H,13,15
    -16H2,1-4H3/t20-,22+/m1/s
    1;
    CXQQECCQTKSQKN-IRLDBZIGSA-N    		 COc1ccccc1CN2C[C@@H]([C@H](C2)c3cn(C)c4c
    cccc34)N(C)C; Cn1cc(c2c1cccc2)[C@H]3CN(C
    [C@@H]3N(C)C)Cc4ccccc4OC; Cn1cc(c2c1cccc
    2)C3CN(CC3N(C)C)Cc4ccccc4OC; COc1ccccc1C
    N2C[CH]([CH](C2)c3cn(C)c4ccccc34)N(C)C    		 (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
    28473
    LQE
    CHEMBL4097892
    ZINC000584905620    		 1 C23 H29 N O2 InChI=1S/C23H29NO2/c1-24-
    15-17(10-16-6-4-8-20(12-1
    6)25-2)11-19-13-21-18(14-
    22(19)24)7-5-9-23(21)26-3
    /h4-9,12,17,19,22H,10-11,
    13-15H2,1-3H3/t17-,19-,22
    -/m0/s1;
    QZUPQRHYHMMHGC-JLMWRMLUSA-N    		 CN1CC(CC2C1Cc3cccc(c3C2)OC)Cc4cccc(c4)OC
    ; COc1cccc(C[CH]2C[CH]3Cc4c(C[CH]3N(C)C2
    )cccc4OC)c1; COc1cccc(C[C@H]2C[C@H]3Cc4c
    (C[C@@H]3N(C)C2)cccc4OC)c1; CN1C[C@H](C[
    C@@H]2[C@@H]1Cc3cccc(c3C2)OC)Cc4cccc(c4)
    OC    		 (3R,4aS,10aS)-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline
    28474
    LQF
    CHEMBL4096234
    ZINC000020676307    		 1 C22 H20 N6 O InChI=1S/C22H20N6O/c23-11
    -19-18-8-9-27(13-16-5-2-1
    -3-6-16)14-20(18)22-26-25
    -15-28(22)21(19)24-12-17-
    7-4-10-29-17/h1-7,10,15,2
    4H,8-9,12-14H2;
    QBTUKQKTXYTWPD-UHFFFAOYSA-N    		 c1ccc(cc1)CN2CCc3c(c4nncn4c(c3C#N)NCc5cc
    co5)C2; N#Cc1c2CCN(Cc3ccccc3)Cc2c4nncn4c
    1NCc5occc5    		 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile
    28475
    LQG
    CHEMBL4063655
    ZINC000584905617    		 2 C12 H9 N5 O InChI=1S/C12H9N5O/c13-6-9
    -3-4-11-16-15-8-17(11)12(
    9)14-7-10-2-1-5-18-10/h1-
    5,8,14H,7H2;
    HNQBUBGQBZCBSB-UHFFFAOYSA-N    		 c1cc(oc1)CNc2c(ccc3n2cnn3)C#N; N#Cc1ccc2
    nncn2c1NCc3occc3    		 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
    28476
    LQH
    CHEMBL310238
    ZINC000013740204    		 7 C17 H13 F N2 InChI=1S/C17H13FN2/c18-15
    -8-4-3-7-14(15)16-11-12-5
    -1-2-6-13(12)17-19-9-10-2
    0(16)17/h1-8,11H,9-10H2;
    CRASKXTVWBAFRS-UHFFFAOYSA-N    		 c1ccc2c(c1)C=C(N3C2=NCC3)c4ccccc4F; Fc1c
    cccc1C2=Cc3ccccc3C4=NCCN24    		 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline
    28477
    LQI
    CHEMBL1326434
    ZINC000000620251    		 1 C15 H17 N O2 InChI=1S/C15H17NO2/c1-11-
    6-8-16(9-7-11)15(17)14-10
    -12-4-2-3-5-13(12)18-14/h
    2-5,10-11H,6-9H2,1H3;
    XNQRJSVFBWPVGG-UHFFFAOYSA-N    		 CC1CCN(CC1)C(=O)c1cc2ccccc2o1; CC1CCN(CC
    1)C(=O)c2cc3ccccc3o2; CC1CCN(CC1)C(=O)c2
    oc3ccccc3c2    		 (1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone
    28478
    LQJ    		 28 C20 H24 N10 O12 P2 InChI=1S/C20H24N10O12P2/c
    21-15-9-17(25-3-23-15)29(
    5-27-9)19-11(32)12(7(1-31
    )38-19)40-43(33,34)37-2-8
    -13-14(42-44(35,36)41-13)
    20(39-8)30-6-28-10-16(22)
    24-4-26-18(10)30/h3-8,11-
    14,19-20,31-32H,1-2H2,(H,
    33,34)(H,35,36)(H2,21,23,
    25)(H2,22,24,26)/t7-,8+,1
    1-,12-,13+,14+,19-,20+/m1
    /s1;
    ZKDCIJKZCQKMKS-RJLGOGMOSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CO)OP(=O)(O)OC[C@H]4[C@H]5[C@@H](
    [C@H](O4)n6cnc7c6ncnc7N)OP(=O)(O5)O)O)N;
    Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H]
    (O[P](O)(=O)OC[C@@H]4O[C@@H]([C@H]5O[P](
    O)(=O)O[C@@H]45)n6cnc7c(N)ncnc67)[C@H]3O
    ; Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O[P
    ](O)(=O)OC[CH]4O[CH]([CH]5O[P](O)(=O)O[C
    H]45)n6cnc7c(N)ncnc67)[CH]3O; c1nc(c2c(n
    1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OCC4C5C(C
    (O4)n6cnc7c6ncnc7N)OP(=O)(O5)O)O)N; P(O)
    (OC3C(CO)OC(n2c1c(c(ncn1)N)nc2)C3O)(=O)O
    CC6OC(n4cnc5c4ncnc5N)C7C6OP(=O)(O)O7    		 3'-O-[(R)-{[(2S,3aS,4S,6S,6aS)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine
    28479
    LQK
    CHEMBL4648717    		 6 C26 H27 N3 O6 InChI=1S/C26H27N3O6/c27-2
    3(31)17-8-9-20(17)24(32)2
    8-11-10-16-15(6-3-7-22(16
    )35-13-12-30)21(28)14-29-
    25(33)18-4-1-2-5-19(18)26
    (29)34/h1-7,17,20-21,30H,
    8-14H2,(H2,27,31)/t17-,20
    +,21+/m0/s1;
    XWMQKSXJPOIISN-IOMROCGXSA-N    		 NC(=O)[CH]1CC[CH]1C(=O)N2CCc3c(OCCO)cccc
    3[CH]2CN4C(=O)c5ccccc5C4=O; NC(=O)[C@H]1
    CC[C@H]1C(=O)N2CCc3c(OCCO)cccc3[C@H]2CN4
    C(=O)c5ccccc5C4=O; c1ccc2c(c1)C(=O)N(C2=
    O)CC3c4cccc(c4CCN3C(=O)C5CCC5C(=O)N)OCCO
    ; c1ccc2c(c1)C(=O)N(C2=O)C[C@@H]3c4cccc(
    c4CCN3C(=O)[C@@H]5CC[C@@H]5C(=O)N)OCCO    		 (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide
    28480
    LQL
    CHEMBL5174111    		 1 C22 H20 Cl2 N4 O2 S InChI=1S/C22H20Cl2N4O2S/c
    23-18-6-5-16(11-19(18)24)
    28-9-8-27(22(30)15-3-1-7-
    25-12-15)14-20(28)21(29)2
    6-13-17-4-2-10-31-17/h1-7
    ,10-12,20H,8-9,13-14H2,(H
    ,26,29)/t20-/m0/s1;
    XEFYJHCPILXFKJ-FQEVSTJZSA-N    		 Clc1ccc(cc1Cl)N2CCN(C[C@H]2C(=O)NCc3sccc
    3)C(=O)c4cccnc4; c1cc(cnc1)C(=O)N2CCN(C(
    C2)C(=O)NCc3cccs3)c4ccc(c(c4)Cl)Cl; Clc1
    ccc(cc1Cl)N2CCN(C[CH]2C(=O)NCc3sccc3)C(=
    O)c4cccnc4; c1cc(cnc1)C(=O)N2CCN([C@@H](
    C2)C(=O)NCc3cccs3)c4ccc(c(c4)Cl)Cl    		 (2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
    28481
    LQN    		 4 C20 H14 F3 N O Se InChI=1S/C20H14F3NOSe/c21
    -20(22,23)15-10-8-13(9-11
    -15)14-4-3-5-16(12-14)24-
    19(25)17-6-1-2-7-18(17)26
    /h1-12,26H,(H,24,25);
    KDJGCBCDXDUUBJ-UHFFFAOYSA-N    		 FC(F)(F)c1ccc(cc1)c2cccc(NC(=O)c3ccccc3[
    SeH])c2; c1ccc(c(c1)C(=O)Nc2cccc(c2)c3cc
    c(cc3)C(F)(F)F)[SeH]    		 2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide
    28482
    LQO
    CHEMBL58323
    DB06218
    ZINC000000007673    		 2 C13 H18 N2 O3 InChI=1S/C13H18N2O3/c1-10
    (16)15-12(9-18-2)13(17)14
    -8-11-6-4-3-5-7-11/h3-7,1
    2H,8-9H2,1-2H3,(H,14,17)(
    H,15,16)/t12-/m1/s1;
    VPPJLAIAVCUEMN-GFCCVEGCSA-N    		 CC(=O)NC(COC)C(=O)NCc1ccccc1; CC(=O)N[C@
    H](COC)C(=O)NCc1ccccc1; COC[CH](NC(C)=O)
    C(=O)NCc1ccccc1; COC[C@@H](NC(C)=O)C(=O)
    NCc1ccccc1    		 lacosamide;
    N~2~-acetyl-N-benzyl-O-methyl-D-serinamide
    28483
    LQP
    ZINC000336116231    		 2 C10 H15 F2 N O2 InChI=1S/C10H15F2NO2/c11-
    10(12)15-6-9(14)13-4-7-2-
    1-3-8(7)5-13/h7-8,10H,1-6
    H2/t7-,8+;
    GFKMUMPBDKROCT-OCAPTIKFSA-N    		 C1C[C@@H]2CN(C[C@@H]2C1)C(=O)COC(F)F; FC
    (F)OCC(=O)N1C[CH]2CCC[CH]2C1; FC(F)OCC(=
    O)N1CC2CCCC2C1; FC(F)OCC(=O)N1C[C@H]2CCC
    [C@H]2C1; C1CC2CN(CC2C1)C(=O)COC(F)F    		 2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one
    28484
    LQQ
    CHEMBL189963
    DB09073
    ZINC000003938686    		 3 C24 H29 N7 O2 InChI=1S/C24H29N7O2/c1-15
    -19-14-27-24(28-20-8-7-18
    (13-26-20)30-11-9-25-10-1
    2-30)29-22(19)31(17-5-3-4
    -6-17)23(33)21(15)16(2)32
    /h7-8,13-14,17,25H,3-6,9-
    12H2,1-2H3,(H,26,27,28,29
    );
    AHJRHEGDXFFMBM-UHFFFAOYSA-N    		 CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCN
    CC4)C5CCCC5)C(=O)C; CC(=O)C1=C(C)c2cnc(N
    c3ccc(cn3)N4CCNCC4)nc2N(C5CCCC5)C1=O; O=
    C2N(c1nc(ncc1C(=C2C(=O)C)C)Nc3ncc(cc3)N4
    CCNCC4)C5CCCC5    		 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE;
    Palbociclib
    28485
    LQT
    CHEMBL4078388
    ZINC000263620895    		 2 C15 H25 N5 O2 InChI=1S/C15H25N5O2/c1-4-
    20(8-7-19(2)3)14(21)11-17
    -10-13-9-12(15(16)22)5-6-
    18-13/h5-6,9,17H,4,7-8,10
    -11H2,1-3H3,(H2,16,22);
    PNFMVADNCOGWME-UHFFFAOYSA-N    		 CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O; CC
    N(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N    		 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide;
    KDOAM25A
    28486
    LQU    		 1 C18 H16 N2 O InChI=1S/C18H16N2O/c1-13(
    21)20-11-16-6-2-3-8-17(16
    )18(12-20)15-7-4-5-14(9-1
    5)10-19/h2-9,18H,11-12H2,
    1H3/t18-/m1/s1;
    HZRMBUYOMGCVMU-GOSISDBHSA-N    		 CC(=O)N1Cc2ccccc2C(C1)c3cccc(c3)C#N; CC(
    =O)N1C[C@H](c2cccc(c2)C#N)c3ccccc3C1; CC
    (=O)N1C[CH](c2cccc(c2)C#N)c3ccccc3C1; N#
    Cc1cccc(c1)C1CN(Cc2ccccc21)C(C)=O; CC(=O
    )N1Cc2ccccc2[C@H](C1)c3cccc(c3)C#N    		 3-[(4R)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzonitrile
    28487
    LQV
    ZINC000004750341    		 2 C11 H14 N2 O2 InChI=1S/C11H14N2O2/c1-8-
    4-5-10(12-7-8)13-11(14)9-
    3-2-6-15-9/h4-5,7,9H,2-3,
    6H2,1H3,(H,12,13,14)/t9-/
    m0/s1;
    BFRXGCPOQMOBHK-VIFPVBQESA-N    		 Cc1ccc(nc1)NC(=O)[C@@H]2CCCO2; O=C(Nc1cc
    c(C)cn1)C1CCCO1; Cc1ccc(NC(=O)[C@@H]2CCC
    O2)nc1; Cc1ccc(NC(=O)[CH]2CCCO2)nc1; Cc1
    ccc(nc1)NC(=O)C2CCCO2    		 (2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide
    28488
    LQW    		 15 C14 H12 Cl N O Se InChI=1S/C14H12ClNOSe/c15
    -11-7-5-10(6-8-11)9-16-14
    (17)12-3-1-2-4-13(12)18/h
    1-8,18H,9H2,(H,16,17);
    ZZXRGWYKGIZVNH-UHFFFAOYSA-N    		 c1ccc(c(c1)C(=O)NCc2ccc(cc2)Cl)[SeH]; Cl
    c1ccc(CNC(=O)c2ccccc2[SeH])cc1    		 ~{N}-[(4-chlorophenyl)methyl]-2-selanyl-benzamide
    28489
    LQX
    CHEMBL4286938    		 3 C23 H26 N6 O4 S2 InChI=1S/C23H26N6O4S2/c1-
    14-9-16(27(4)25-14)12-28-
    20-6-5-18(35(32,33)26-23(
    3)7-8-23)10-19(20)21(30)2
    9(22(28)31)13-17-11-24-15
    (2)34-17/h5-6,9-11,26H,7-
    8,12-13H2,1-4H3;
    IFWUBRBMMNTBRZ-UHFFFAOYSA-N    		 Cn1nc(C)cc1CN2C(=O)N(Cc3sc(C)nc3)C(=O)c4
    cc(ccc24)[S](=O)(=O)NC5(C)CC5; Cc1cc(n(n
    1)C)CN2c3ccc(cc3C(=O)N(C2=O)Cc4cnc(s4)C)
    S(=O)(=O)NC5(CC5)C    		 1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide
    28490
    LQY
    CHEMBL4210475    		 2 C31 H36 N4 O4 InChI=1S/C31H36N4O4/c1-39
    -27-17-16-22(18-26(27)20-
    12-14-21(15-13-20)30(37)3
    3-19-28(32)36)29-24-10-6-
    7-11-25(24)31(38)35(34-29
    )23-8-4-2-3-5-9-23/h6-7,1
    2-18,23-25H,2-5,8-11,19H2
    ,1H3,(H2,32,36)(H,33,37)/
    t24-,25+/m0/s1;
    VZKJWTFPORBEEH-LOSJGSFVSA-N    		 COc1ccc(cc1c2ccc(cc2)C(=O)NCC(N)=O)C3=NN
    (C4CCCCCC4)C(=O)[C@@H]5CC=CC[C@H]35; COc
    1ccc(cc1c2ccc(cc2)C(=O)NCC(=O)N)C3=NN(C(
    =O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5; COc1cc
    c(cc1c2ccc(cc2)C(=O)NCC(N)=O)C3=NN(C4CCC
    CCC4)C(=O)[CH]5CC=CC[CH]35; COc1ccc(cc1c
    2ccc(cc2)C(NCC(N)=O)=O)C4=NN(C3CCCCCC3)C
    (=O)C5CC=CCC45; COc1ccc(cc1c2ccc(cc2)C(=
    O)NCC(=O)N)C3=NN(C(=O)C4C3CC=CC4)C5CCCCC
    C5    		 N-(2-amino-2-oxoethyl)-5'-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2'-methoxy[1,1'-biphenyl]-4-carboxamide
    28491
    LQZ
    CHEMBL79
    DB00281
    ZINC000000020237    		 3 C14 H22 N2 O InChI=1S/C14H22N2O/c1-5-1
    6(6-2)10-13(17)15-14-11(3
    )8-7-9-12(14)4/h7-9H,5-6,
    10H2,1-4H3,(H,15,17);
    NNJVILVZKWQKPM-UHFFFAOYSA-N    		 CCN(CC)CC(=O)Nc1c(cccc1C)C; O=C(Nc1c(ccc
    c1C)C)CN(CC)CC; CCN(CC)CC(=O)Nc1c(C)cccc
    1C    		 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide
    28492
    LR0    		 1 C16 H14 F N3 O2 InChI=1S/C16H14FN3O2/c1-9
    (21)19-14-4-5-18-8-15(14)
    20-16(22)13-6-10-2-3-11(1
    7)7-12(10)13/h2-5,7-8,13H
    ,6H2,1H3,(H,20,22)(H,18,1
    9,21)/t13-/m1/s1;
    OVXVQSQKNSMPOY-CYBMUJFWSA-N    		 CC(=O)Nc1ccncc1NC(=O)C2Cc3c2cc(cc3)F; CC
    (=O)Nc1ccncc1NC(=O)[C@@H]2Cc3ccc(F)cc23;
    CC(=O)Nc1ccncc1NC(=O)[CH]2Cc3ccc(F)cc23
    ; CC(=O)Nc1ccncc1NC(=O)[C@@H]2Cc3c2cc(cc
    3)F; O=C(Nc1cnccc1NC(C)=O)C1Cc2ccc(F)cc2
    1    		 (7R)-N-(4-acetamidopyridin-3-yl)-4-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
    28493
    LR1
    ZINC000098209126    		 2 C13 H18 Br N O4 InChI=1S/C13H18BrNO4/c14-
    8-3-1-7(2-4-8)5-15-10-9(6
    -16)11(17)13(19)12(10)18/
    h1-4,9-13,15-19H,5-6H2/t9
    -,10+,11+,12-,13-/m0/s1;
    BSQKACVWQISROJ-QWQWKMKNSA-N    		 c1cc(ccc1CN[C@@H]2[C@@H]([C@H]([C@@H]([C
    @H]2O)O)O)CO)Br; Brc1ccc(cc1)CNC2C(C(O)C
    (O)C2O)CO; OC[C@@H]1[C@@H](O)[C@H](O)[C@
    @H](O)[C@@H]1NCc2ccc(Br)cc2; c1cc(ccc1CN
    C2C(C(C(C2O)O)O)CO)Br; OC[CH]1[CH](O)[CH
    ](O)[CH](O)[CH]1NCc2ccc(Br)cc2    		 (1R,2S,3S,4R,5R)-4-[(4-bromophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol
    28494
    LR2    		 6 C12 H10 N2 O Se InChI=1S/C12H10N2OSe/c15-
    12(9-5-1-2-6-10(9)16)14-1
    1-7-3-4-8-13-11/h1-8,16H,
    (H,13,14,15);
    IIISTDSZDJBBTA-UHFFFAOYSA-N    		 c1ccc(c(c1)C(=O)Nc2ccccn2)[SeH]; [SeH]c1
    ccccc1C(=O)Nc2ccccn2    		 ~{N}-pyridin-2-yl-2-selanyl-benzamide
    28495
    LR4    		 1 C23 H27 N7 O S InChI=1S/C23H27N7OS/c1-14
    -13-29(3)10-11-30(14)18-8
    -4-6-16(26-18)21-27-22(31
    -28-21)23(2)9-5-7-17-19(2
    3)15(12-24)20(25)32-17/h4
    ,6,8,14H,5,7,9-11,13,25H2
    ,1-3H3/t14-,23-/m0/s1;
    YZNVUBRDUJUVPB-PSLXWICFSA-N    		 C[C@H]1CN(CCN1c2cccc(n2)c3nc(on3)[C@]4(C
    CCc5c4c(c(s5)N)C#N)C)C; C[CH]1CN(C)CCN1c
    2cccc(n2)c3noc(n3)[C]4(C)CCCc5sc(N)c(C#N
    )c45; C[C@H]1CN(C)CCN1c2cccc(n2)c3noc(n3
    )[C@@]4(C)CCCc5sc(N)c(C#N)c45; CC1CN(CCN
    1c2cccc(n2)c3nc(on3)C4(CCCc5c4c(c(s5)N)C
    #N)C)C    		 (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile;
    (4S)-2-azanyl-4-[3-[6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile
    28496
    LR5
    CHEMBL4065573
    ZINC000000053520    		 1 C8 H6 F3 N O InChI=1S/C8H6F3NO/c9-8(10
    ,11)6-3-1-5(2-4-6)7(12)13
    /h1-4H,(H2,12,13);
    WEJHBEDHLLBJFW-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)N)C(F)(F)F; NC(=O)c1ccc(cc
    1)C(F)(F)F    		 4-(trifluoromethyl)benzamide
    28497
    LR6    		 0 C17 H28 N5 O8 P InChI=1S/C17H28N5O8P/c1-9
    -6-21(15(25)19-12(9)24)13
    -10-11(23)17(30-13,8-29-3
    1(26,27)28)7-22(10)14(18-
    5)20-16(2,3)4/h6,10-11,13
    ,23H,7-8H2,1-5H3,(H,18,20
    )(H,19,24,25)(H2,26,27,28
    )/t10-,11+,13-,17-/m1/s1;
    VZAHOKWRQQERGL-WYFUGZQLSA-N    		 CC1=CN(C(=O)NC1=O)C2C3C(C(O2)(CN3C(=NC(C
    )(C)C)NC)COP(=O)(O)O)O; CNC(=NC(C)(C)C)N
    1C[C@]2(CO[P](O)(O)=O)O[C@H]([C@H]1[C@@H
    ]2O)N3C=C(C)C(=O)NC3=O; CC1=CN(C(=O)NC1=
    O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CN3C(=NC(
    C)(C)C)NC)COP(=O)(O)O)O; CNC(=NC(C)(C)C)
    N1C[C]2(CO[P](O)(O)=O)O[CH]([CH]1[CH]2O)
    N3C=C(C)C(=O)NC3=O    		 [(1R,3R,4R,7S)-5-(N'-tert-butyl-N-methyl-carbamimidoyl)-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-oxidanyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate
    28498
    LR7    		 6 C21 H31 N3 O17 P2 InChI=1S/C21H31N3O17P2/c1
    -2-3-4-5-12(26)22-14-17(3
    0)15(28)10(8-25)39-20(14)
    40-43(35,36)41-42(33,34)3
    7-9-11-16(29)18(31)19(38-
    11)24-7-6-13(27)23-21(24)
    32/h1,6-7,10-11,14-20,25,
    28-31H,3-5,8-9H2,(H,22,26
    )(H,33,34)(H,35,36)(H,23,
    27,32)/t10-,11-,14-,15+,1
    6-,17-,18-,19-,20-/m1/s1;
    SPUYDPWWABYYLH-SSBRDYMUSA-N    		 O=C1C=CN(C(N1)=O)C2C(C(C(O2)COP(O)(OP(=O
    )(O)OC3OC(CO)C(C(O)C3NC(=O)CCCC#C)O)=O)O
    )O; C#CCCCC(=O)N[C@@H]1[C@H]([C@H]([C@H]
    (O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H
    ]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO
    )O)O; C#CCCCC(=O)NC1C(C(C(OC1OP(=O)(O)OP
    (=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)
    CO)O)O; OC[CH]1O[CH](O[P](O)(=O)O[P](O)(
    =O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)
    NC3=O)[CH](NC(=O)CCCC#C)[CH](O)[CH]1O; O
    C[C@H]1O[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)NC
    3=O)[C@H](NC(=O)CCCC#C)[C@@H](O)[C@H]1O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R},6~{R})-3-(hex-5-ynoylamino)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
    28499
    LR8
    CHEMBL1720183
    ZINC000019932164    		 1 C10 H13 N3 O2 InChI=1S/C10H13N3O2/c11-1
    0(14)8-1-2-9(12-7-8)13-3-
    5-15-6-4-13/h1-2,7H,3-6H2
    ,(H2,11,14);
    WGUWZMKBMLBNEE-UHFFFAOYSA-N    		 c1cc(ncc1C(=O)N)N2CCOCC2; NC(=O)c1ccc(nc
    1)N2CCOCC2    		 6-morpholin-4-ylpyridine-3-carboxamide
    28500
    LR9
    ZINC000037078066    		 1 C10 H14 N2 O InChI=1S/C10H14N2O/c1-3-1
    2(2)10(13)8-5-4-6-9(11)7-
    8/h4-7H,3,11H2,1-2H3;
    URNKFNQWYLXELN-UHFFFAOYSA-N    		 CCN(C)C(=O)c1cccc(c1)N; CCN(C)C(=O)c1ccc
    c(N)c1; O=C(c1cc(N)ccc1)N(C)CC    		 3-amino-N-ethyl-N-methylbenzamide
    28501
    LRA    		 2 C16 H11 Br O4 InChI=1S/C16H11BrO4/c17-1
    1-6-4-9(5-7-11)13-14(19)1
    6(20)21-15(13)10-2-1-3-12
    (18)8-10/h1-8,15,18-19H/t
    15-/m1/s1;
    AXUOPMIBBDYMEV-OAHLLOKOSA-N    		 c1cc(cc(c1)O)[C@@H]2C(=C(C(=O)O2)O)c3ccc
    (cc3)Br; Oc1cccc(c1)[CH]2OC(=O)C(=C2c3cc
    c(Br)cc3)O; c1cc(cc(c1)O)C2C(=C(C(=O)O2)
    O)c3ccc(cc3)Br; Oc1cccc(c1)[C@H]2OC(=O)C
    (=C2c3ccc(Br)cc3)O    		 (2R)-3-(4-bromophenyl)-2-(3-hydroxyphenyl)-4-oxidanyl-2H-furan-5-one
    28502
    LRB    		 0 C50 H57 N7 O Ru InChI=1S/C30H41N3O.2C10H8
    N2.Ru/c1-21-10-12-31-27(1
    4-21)28-20-22(11-13-32-28
    )8-6-4-2-3-5-7-9-29(34)33
    -30-25-16-23-15-24(18-25)
    19-26(30)17-23;2*1-3-7-11
    -9(5-1)10-6-2-4-8-12-10;/
    h10-14,20,23-26,30H,2-9,1
    5-19H2,1H3,(H,33,34);2*1-
    8H;/q3*-2;+8/b28-27-;2*10
    -9-;/t23-,24+,25-,26+,30-
    ;;;;
    IGSCYCAKHRXAKK-KBBCMHLPSA-N    		 CC1=CC2=C3C=C(C=CN3[Ru+2]45(N2C=C1)(N6C=
    CC=CC6=C7N4C=CC=C7)N8C=CC=CC8=C9N5C=CC=C
    9)CCCCCCCCC(=O)NC1C2CC3CC(C2)CC1C3; CC1=
    CC2=C3C=C(CCCCCCCCC(=O)NC4C5CC6CC(C5)CC4
    C6)C=CN3[Ru++]78(N9C=CC=CC9=C%10C=CC=CN7
    %10)(N%11C=CC=CC%11=C%12C=CC=CN8%12)N2C=
    C1; O=C(NC3C1CC2CC(C1)CC3C2)CCCCCCCCc%12
    cc%11c4n(ccc(c4)C)[Ru+2]7%10(n5ccccc5c6c
    cccn67)(n8ccccc8c9ccccn9%10)n%11cc%12    		 LAMBDA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C9-ADAMANTANE RUTHENIUM (II)
    28503
    LRC    		 1 C13 H12 Cl N3 O InChI=1S/C13H12ClN3O/c1-9
    -2-3-15-8-12(9)17-13(18)5
    -10-4-11(14)7-16-6-10/h2-
    4,6-8H,5H2,1H3,(H,17,18);
    OCRRKPZGCOGESB-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)Cc2cc(cnc2)Cl; O=C(Nc1cnc
    cc1C)Cc1cc(Cl)cnc1; Cc1ccncc1NC(=O)Cc2cn
    cc(Cl)c2    		 2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide
    28504
    LRD
    ZINC000016448889    		 11 C19 H12 Cl2 O5 S InChI=1S/C19H12Cl2O5S/c20
    -14-9-11(5-7-16(14)22)19(
    12-6-8-17(23)15(21)10-12)
    13-3-1-2-4-18(13)27(24,25
    )26/h1-10,22H,(H,24,25,26
    )/b19-12+;
    QXTPRQZMDKBTAI-XDHOZWIPSA-N    		 c1ccc(c(c1)/C(=C/2\C=CC(=O)C(=C2)Cl)/c3c
    cc(c(c3)Cl)O)S(=O)(=O)O; Oc1ccc(cc1Cl)C(
    =C2C=CC(=O)C(=C2)Cl)c3ccccc3[S](O)(=O)=O
    ; Oc1ccc(cc1Cl)C(=C\2C=CC(=O)C(=C\2)Cl)/
    c3ccccc3[S](O)(=O)=O; c1ccc(c(c1)C(=C2C=
    CC(=O)C(=C2)Cl)c3ccc(c(c3)Cl)O)S(=O)(=O)
    O; ClC3=CC(=C(/c1ccc(O)c(Cl)c1)c2ccccc2S
    (=O)(=O)O)\C=CC3=O    		 2-[(E)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid;
    Chlorophenol Red
    28505
    LRF
    ZINC000253415400    		 6 C8 H10 N4 O S InChI=1S/C8H10N4OS/c1-5-6
    (3-9)8(14-11-5)12(2)4-7(1
    0)13/h4H2,1-2H3,(H2,10,13
    );
    BCFQGXBWVPWHCV-UHFFFAOYSA-N    		 N#Cc1c(snc1C)N(C)CC(N)=O; Cc1c(c(sn1)N(C
    )CC(=O)N)C#N; CN(CC(N)=O)c1snc(C)c1C#N    		 N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide
    28506
    LRG
    CHEMBL191275
    DB08121
    ZINC000013671695    		 9 C21 H18 O3 InChI=1S/C21H18O3/c22-21(
    23)20(15-16-7-3-1-4-8-16)
    24-19-13-11-18(12-14-19)1
    7-9-5-2-6-10-17/h1-14,20H
    ,15H2,(H,22,23)/t20-/m0/s
    1;
    TZTPJJNNACUQQR-FQEVSTJZSA-N    		 O=C(O)C(Oc1ccc(cc1)c2ccccc2)Cc3ccccc3; O
    C(=O)[C@H](Cc1ccccc1)Oc2ccc(cc2)c3ccccc3
    ; c1ccc(cc1)CC(C(=O)O)Oc2ccc(cc2)c3ccccc
    3; c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)c
    3ccccc3; OC(=O)[CH](Cc1ccccc1)Oc2ccc(cc2
    )c3ccccc3    		 (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
    28507
    LRH    		 5 C6 H12 O5 InChI=1S/C6H12O5/c1-3-4(8
    )5(9)6(10,2-7)11-3/h3-5,7
    -10H,2H2,1H3/t3-,4-,5+,6-
    /m0/s1;
    CJJCPDZKQKUXSS-AZGQCCRYSA-N    		 C[C@@H]1O[C@@](O)(CO)[C@H](O)[C@H]1O; C[
    CH]1O[C](O)(CO)[CH](O)[CH]1O; CC1C(C(C(O
    1)(CO)O)O)O; OC1C(O)C(OC1(O)CO)C; C[C@H]
    1[C@@H]([C@H]([C@@](O1)(CO)O)O)O    		 6-deoxy-beta-L-fructofuranose;
    6-deoxy-beta-L-fructose;
    6-deoxy-L-fructose;
    6-deoxy-fructose
    28508
    LRI
    CHEMBL4876469
    ZINC000048557345    		 2 C12 H13 Cl N4 S InChI=1S/C12H13ClN4S/c13-
    10-6-11(16-12(14)15-10)17
    (8-3-4-8)7-9-2-1-5-18-9/h
    1-2,5-6,8H,3-4,7H2,(H2,14
    ,15,16);
    PDWZXKSZLRVSEH-UHFFFAOYSA-N    		 c1c(scc1)CN(C2CC2)c3nc(nc(c3)Cl)N; c1cc(
    sc1)CN(c2cc(nc(n2)N)Cl)C3CC3; Nc1nc(Cl)c
    c(n1)N(Cc2sccc2)C3CC3    		 6-chloro-N~4~-cyclopropyl-N~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine
    28509
    LRK
    ZINC000263620764    		 0 C11 H23 N2 O9 P InChI=1S/C11H23N2O9P/c12-
    7(11(17)18)3-1-2-4-13-8(5
    -14)10(16)9(15)6-22-23(19
    ,20)21/h7-9,13-15H,1-6,12
    H2,(H,17,18)(H2,19,20,21)
    /t7-,8+,9+/m0/s1;
    MTFNVQCMTVXWTF-DJLDLDEBSA-N    		 N[CH](CCCCN[CH](CO)C(=O)[CH](O)CO[P](O)(
    O)=O)C(O)=O; N[C@@H](CCCCN[C@H](CO)C(=O)
    [C@H](O)CO[P](O)(O)=O)C(O)=O; O=P(OCC(O)
    C(=O)C(NCCCCC(C(=O)O)N)CO)(O)O; C(CCNC(C
    O)C(=O)C(COP(=O)(O)O)O)CC(C(=O)O)N; C(CC
    N[C@H](CO)C(=O)[C@@H](COP(=O)(O)O)O)C[C@
    @H](C(=O)O)N    		 (2S)-2-azanyl-6-[[(2R,4R)-1,4-bis(oxidanyl)-3-oxidanylidene-5-phosphonooxy-pentan-2-yl]amino]hexanoic acid
    28510
    LRL    		 2 C25 H24 N4 O2 S InChI=1S/C25H24N4O2S/c30-
    32(31,25-5-1-3-21-16-27-1
    4-12-23(21)25)28-17-22-10
    -11-24(29-22)19-8-6-18(7-
    9-19)20-4-2-13-26-15-20/h
    1-9,12-16,22,24,28-29H,10
    -11,17H2/t22-,24+/m0/s1;
    WDMXDRLBFHUECN-LADGPHEKSA-N    		 c1cc2cnccc2c(c1)S(=O)(=O)NCC3CCC(N3)c4cc
    c(cc4)c5cccnc5; O=[S](=O)(NC[C@@H]1CC[C@
    @H](N1)c2ccc(cc2)c3cccnc3)c4cccc5cnccc45
    ; O=[S](=O)(NC[CH]1CC[CH](N1)c2ccc(cc2)c
    3cccnc3)c4cccc5cnccc45; c1cc2cnccc2c(c1)
    S(=O)(=O)NC[C@@H]3CC[C@@H](N3)c4ccc(cc4)
    c5cccnc5    		 ~{N}-[[(2~{S},5~{R})-5-(4-pyridin-3-ylphenyl)pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide
    28511
    LRM    		 1 C56 H79 N20 O38 P6 InChI=1S/C56H78N20O38P6/c
    1-69(2)44-31-46(63-19-61-
    44)75(21-65-31)53-42(99-8
    )38(27(109-53)17-104-119(
    92,93)114-120(94,95)113-1
    18(90,91)103-13-23-33(78)
    35(80)49(105-23)76-22-70(
    3)32-47(76)67-54(59)68-48
    (32)81)112-117(88,89)102-
    16-26-37(41(98-7)52(108-2
    6)74-20-64-30-43(58)60-18
    -62-45(30)74)111-116(86,8
    7)101-15-25-36(40(97-6)51
    (107-25)72-11-9-28(57)66-
    55(72)82)110-115(84,85)10
    0-14-24-34(79)39(96-5)50(
    106-24)73-12-10-29(77)71(
    4)56(73)83/h9-12,18-27,33
    -42,49-53,78-80H,13-17H2,
    1-8H3,(H12-,57,58,59,60,6
    2,66,67,68,81,82,84,85,86
    ,87,88,89,90,91,92,93,94,
    95)/p+1/t23-,24-,25-,26-,
    27-,33-,34-,35-,36-,37-,3
    8-,39-,40-,41-,42-,49-,50
    -,51-,52-,53-/m1/s1;
    LXUOPLSSKHEGET-DYPPLJCPSA-O    		 CN(c1ncnc2n(cnc12)C6C(C(C(COP(OP(OP(OCC3
    C(O)C(O)C(O3)n5c4NC(N)=NC(c4[n+](c5)C)=O
    )(O)=O)(O)=O)(=O)O)O6)OP(=O)(O)OCC9C(C(C
    (n8cnc7c(N)ncnc78)O9)OC)OP(O)(OCC%11C(C(
    OC)C(N%10C(=O)N=C(N)C=C%10)O%11)OP(=O)(O
    CC%12OC(C(OC)C%12O)N%13C=CC(N(C%13=O)C)=
    O)O)=O)OC)C; CO[C@@H]1[C@H](O)[C@@H](CO[
    P](O)(=O)O[C@@H]2[C@@H](CO[P](O)(=O)O[C@
    @H]3[C@@H](CO[P](O)(=O)O[C@@H]4[C@@H](CO
    [P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[C@H]5
    O[C@H]([C@H](O)[C@@H]5O)n6c[n+](C)c7C(=O
    )N=C(N)Nc67)O[C@H]([C@@H]4OC)n8cnc9c(ncn
    c89)N(C)C)O[C@H]([C@@H]3OC)n%10cnc%11c(N
    )ncnc%10%11)O[C@H]([C@@H]2OC)N%12C=CC(=N
    C%12=O)N)O[C@H]1N%13C=CC(=O)N(C)C%13=O;
    C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H](
    [C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O
    )(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc
    6c5ncnc6N(C)C)OC)OP(=O)(O)OC[C@@H]7[C@H]
    ([C@H]([C@@H](O7)n8cnc9c8ncnc9N)OC)OP(=O
    )(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=C
    C(=NC1=O)N)OC)OP(=O)(O)OC[C@@H]1[C@H]([C
    @H]([C@@H](O1)N1C=CC(=O)N(C1=O)C)OC)O)O)
    O; C[n+]1cn(c2c1C(=O)N=C(N2)N)C3C(C(C(O3
    )COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O
    4)n5cnc6c5ncnc6N(C)C)OC)OP(=O)(O)OCC7C(C
    (C(O7)n8cnc9c8ncnc9N)OC)OP(=O)(O)OCC1C(C
    (C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(
    C(C(O1)N1C=CC(=O)N(C1=O)C)OC)O)O)O; CO[C
    H]1[CH](O)[CH](CO[P](O)(=O)O[CH]2[CH](CO
    [P](O)(=O)O[CH]3[CH](CO[P](O)(=O)O[CH]4[
    CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC
    [CH]5O[CH]([CH](O)[CH]5O)n6c[n+](C)c7C(=
    O)N=C(N)Nc67)O[CH]([CH]4OC)n8cnc9c(ncnc8
    9)N(C)C)O[CH]([CH]3OC)n%10cnc%11c(N)ncnc
    %10%11)O[CH]([CH]2OC)N%12C=CC(=NC%12=O)N
    )O[CH]1N%13C=CC(=O)N(C)C%13=O    		 2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(S)-({(2R,3R,4R,5R)-3-{[(R)-{[(2R,3R,4R,5R)-3-{[(S)-{[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-{[(S)-hydroxy{[(2R,3R,4R,5R)-3-hydroxy-4-methoxy-5-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methoxy}phosphoryl]oxy}-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9H-purin-9-yl)-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-[6-(dimethylamino)-9H-purin-9-yl]-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-3H-purin-7-ium
    28512
    LRN    		 1 C20 H36 N2 O2 InChI=1S/C20H36N2O2/c1-16
    (23)21-13-5-8-19(15-21)22
    (14-17-6-3-2-4-7-17)18-9-
    11-20(24)12-10-18/h17-20,
    24H,2-15H2,1H3/t18-,19-,2
    0-/m1/s1;
    BWGFBDXTNPNCAD-VAMGGRTRSA-N    		 CC(=O)N1CCCC(C1)N(CC2CCCCC2)C3CCC(CC3)O;
    CC(=O)N1CCC[C@H](C1)N(CC2CCCCC2)[C@H]3C
    C[C@H](O)CC3; CC(=O)N1CCC[CH](C1)N(CC2CC
    CCC2)[CH]3CC[CH](O)CC3; O=C(C)N1CCCC(C1)
    N(CC1CCCCC1)C1CCC(O)CC1; CC(=O)N1CCC[C@H
    ](C1)N(CC2CCCCC2)C3CCC(CC3)O    		 1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one
    28513
    LRO
    CHEMBL3991051
    ZINC000095921127    		 2 C14 H14 N2 O4 InChI=1S/C14H14N2O4/c1-8-
    2-4-9(5-3-8)6-7-10-11(13(
    18)19)15-14(20)16-12(10)1
    7/h2-5H,6-7H2,1H3,(H,18,1
    9)(H2,15,16,17,20);
    BBNOPYKTLSUCSO-UHFFFAOYSA-N    		 Cc1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O; Cc
    1ccc(CCC2=C(NC(=O)NC2=O)C(O)=O)cc1; O=C1
    NC(C(=O)O)=C(C(=O)N1)CCc2ccc(cc2)C    		 5-[2-(4-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
    28514
    LRP    		 1 C24 H36 N10 O17 P3 InChI=1S/C24H35N10O17P3/c
    1-31(2)18-12-19(27-7-26-1
    8)33(8-28-12)23-17(45-4)1
    5(36)11(49-23)6-47-53(41,
    42)51-54(43,44)50-52(39,4
    0)46-5-10-14(35)16(37)22(
    48-10)34-9-32(3)13-20(34)
    29-24(25)30-21(13)38/h7-1
    1,14-17,22-23,35-37H,5-6H
    2,1-4H3,(H5-,25,29,30,38,
    39,40,41,42,43,44)/p+1/t1
    0-,11-,14-,15-,16-,17-,22
    -,23-/m1/s1;
    WWIREDRDOBXWDG-FRZFILDFSA-O    		 n2c1c(ncnc1N(C)C)n(c2)C6OC(COP(=O)(O)OP(
    OP(O)(OCC3C(O)C(C(O3)n5c4N=C(N)NC(c4[n+]
    (c5)C)=O)O)=O)(O)=O)C(C6OC)O; C[n+]1cn(c
    2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP
    (=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncn
    c6N(C)C)OC)O)O)O; CO[CH]1[CH](O)[CH](CO[
    P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[
    CH]([CH](O)[CH]2O)n3c[n+](C)c4C(=O)NC(=N
    c34)N)O[CH]1n5cnc6c(ncnc56)N(C)C; C[n+]1
    cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]
    ([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC
    [C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncn
    c6N(C)C)OC)O)O)O; CO[C@@H]1[C@H](O)[C@@H
    ](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[C
    @H]2O[C@H]([C@H](O)[C@@H]2O)n3c[n+](C)c4
    C(=O)NC(=Nc34)N)O[C@H]1n5cnc6c(ncnc56)N(
    C)C    		 2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(R)-({(2R,3R,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-3-hydroxy-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium
    28515
    LRQ
    CHEMBL4452972    		 2 C27 H27 F3 N2 O2 InChI=1S/C27H27F3N2O2/c1-
    26(2,30)15-32-17-6-5-11-2
    7(32,25-19(14-17)18-7-3-4
    -8-22(18)31-25)24-20(28)1
    2-16(13-21(24)29)9-10-23(
    33)34/h3-4,7-10,12-13,17,
    31H,5-6,11,14-15H2,1-2H3,
    (H,33,34)/b10-9+/t17-,27-
    /m1/s1;
    XPULPVUOUDRKNB-SAEWTEAUSA-N    		 CC(C)(F)CN1[CH]2CCC[C]1(c3[nH]c4ccccc4c3
    C2)c5c(F)cc(C=CC(O)=O)cc5F; CC(C)(F)CN1[
    C@@H]2CCC[C@]1(c3[nH]c4ccccc4c3C2)c5c(F)
    cc(/C=C/C(O)=O)cc5F; CC(C)(CN1C2CCCC1(c3
    c(c4ccccc4[nH]3)C2)c5c(cc(cc5F)C=CC(=O)O
    )F)F; CC(C)(CN1[C@@H]2CCC[C@]1(c3c(c4ccc
    cc4[nH]3)C2)c5c(cc(cc5F)/C=C/C(=O)O)F)F    		 Bridged tetracyclic indole
    28516
    LRR
    ZINC000000012163    		 1 C14 H19 N O2 InChI=1S/C14H19NO2/c16-14
    (15-9-11-17-12-10-15)8-4-
    7-13-5-2-1-3-6-13/h1-3,5-
    6H,4,7-12H2;
    VCWRKWJSYZSPEJ-UHFFFAOYSA-N    		 c1ccc(cc1)CCCC(=O)N2CCOCC2; O=C(CCCc1ccc
    cc1)N2CCOCC2; O=C(CCCc1ccccc1)N1CCOCC1    		 1-(morpholin-4-yl)-4-phenylbutan-1-one
    28517
    LRS
    CHEMBL4483477    		 4 C25 H30 N8 O3 InChI=1S/C25H30N8O3/c1-30
    -21-13-20(28-24(35)18-15-
    27-33-6-2-5-26-23(18)33)2
    2(31-7-3-17(16-34)4-8-31)
    14-19(21)29-25(30)32-9-11
    -36-12-10-32/h2,5-6,13-15
    ,17,34H,3-4,7-12,16H2,1H3
    ,(H,28,35);
    LVDMRCKBQDTUEU-UHFFFAOYSA-N    		 Cn1c2cc(c(cc2nc1N3CCOCC3)N4CCC(CC4)CO)NC
    (=O)c5cnn6c5nccc6; Cn1c2cc(NC(=O)c3cnn4c
    ccnc34)c(cc2nc1N5CCOCC5)N6CCC(CO)CC6; c3
    (cc2nc(N1CCOCC1)n(c2cc3NC(=O)c5c4ncccn4n
    c5)C)N6CCC(CC6)CO    		 N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
    28518
    LRT
    CHEMBL1667963
    ZINC000066099959    		 3 C14 H18 N4 O2 S InChI=1S/C14H18N4O2S/c15-
    14-12-3-1-4-13(11(12)5-7-
    17-14)21(19,20)18-9-2-6-1
    6-8-10-18/h1,3-5,7,16H,2,
    6,8-10H2,(H2,15,17);
    QITCSTCJTLZZMU-UHFFFAOYSA-N    		 Nc1nccc2c1cccc2[S](=O)(=O)N3CCCNCC3; c1c
    c2c(ccnc2N)c(c1)S(=O)(=O)N3CCCNCC3    		 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine
    28519
    LRU
    DB03871    		 1 C23 H19 N6 Ru InChI=1S/2C10H8N2.C3H3N2.
    Ru/c2*1-3-7-11-9(5-1)10-6
    -2-4-8-12-10;1-2-5-3-4-1;
    /h2*1-8H;1-3H;/q;;-1;+3;
    ZSRBWSVKDUMHBO-UHFFFAOYSA-N    		 n1ccn(c1)[Ru+2]73(n4c(c2ccccn23)cccc4)n5
    ccccc5c6ccccn67; [Ru++]|1|2(|n3ccccc3c4c
    cccn|14)(|n5ccccc5c6ccccn|26)n7ccnc7; c1
    cn(cn1)[Ru+2]23([N]4=C(C=CC=C4)C5=[N]2C=
    CC=C5)[N]6=CC=CC=C6C7=CC=CC=[N]37    		 LAMBDA-BIS(2,2'-BIPYRIDINE)IMIDAZOLE RUTHENIUM (II)
    28520
    LRV    		 1 C38 H62 O18 InChI=1S/C38H62O18/c1-16-
    11-37-9-5-20-35(2,7-4-8-3
    6(20,3)34(49)50)21(37)6-1
    0-38(16,15-37)56-33-30(55
    -32-28(48)26(46)23(43)18(
    13-40)52-32)29(24(44)19(1
    4-41)53-33)54-31-27(47)25
    (45)22(42)17(12-39)51-31/
    h16-33,39-48H,4-15H2,1-3H
    3,(H,49,50)/t16-,17-,18+,
    19-,20+,21+,22-,23+,24-,2
    5+,26+,27+,28+,29-,30-,31
    +,32+,33+,35-,36-,37-,38+
    /m1/s1;
    VDNFPBCVHYOBFH-LNBNFVSXSA-N    		 C[C@@H]1C[C@@]23CC[C@H]4[C@]([C@@H]2CC[C
    @@]1(C3)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H
    ](O5)CO)O)O[C@H]6[C@H](C([C@@H](C(O6)CO)
    O)O)O)OC7[C@H]([C@H]([C@H]([C@@H](O7)CO)
    O)O)O)(CCC[C@@]4(C)C(=O)O)C; C[CH]1C[C]2
    3CC[CH]4[C](C)(CCC[C]4(C)C(O)=O)[CH]2CC[
    C]1(C3)O[CH]5O[CH](CO)[CH](O)[CH](O[CH]6
    O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH]5O[CH]
    7O[CH](CO)[CH](O)[CH](O)[CH]7O; CC1CC23C
    CC4C(C2CCC1(C3)OC5C(C(C(C(O5)CO)O)OC6C(C
    (C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)
    (CCCC4(C)C(=O)O)C; C7(C(C(C(OC1C(OC(CO)C
    (C1OC2C(O)C(C(O)C(CO)O2)O)O)OC34CC6(CC3C
    )C(CC4)C5(C)CCCC(C(O)=O)(C5CC6)C)OC7CO)O
    )O)O; C[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(C
    CC[C@@]4(C)C(O)=O)[C@@H]2CC[C@@]1(C3)O[C
    @@H]5O[C@H](CO)[C@@H](O)[C@@H](O[C@@H]6O
    [C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)[C@H]
    5O[C@@H]7O[C@@H](CO)[C@H](O)[C@H](O)[C@@
    H]7O    		 (8alpha,9beta,10alpha,13alpha)-13-{[alpha-L-allopyranosyl-(1->2)-[beta-D-mannopyranosyl-(1->3)]-beta-D-allopyranosyl]oxy}kauran-18-oic acid
    28521
    LRW
    CHEMBL2387748
    ZINC000000119696    		 1 C10 H7 F3 O2 InChI=1S/C10H7F3O2/c11-10
    (12,13)8-3-1-2-7(6-8)4-5-
    9(14)15/h1-6H,(H,14,15)/b
    5-4+;
    KSBWHDDGWSYETA-SNAWJCMRSA-N    		 OC(=O)/C=C/c1cccc(c1)C(F)(F)F; c1cc(cc(c
    1)C(F)(F)F)/C=C/C(=O)O; OC(=O)C=Cc1cccc(
    c1)C(F)(F)F; c1cc(cc(c1)C(F)(F)F)C=CC(=O
    )O    		 (~{E})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid
    28522
    LRX    		 2 C25 H32 F3 N5 O4 InChI=1S/C25H32F3N5O4/c1-
    2-37-24(36)33-9-6-18(7-10
    -33)30-21-20(22(34)23(21)
    35)29-8-11-31-12-14-32(15
    -13-31)19-5-3-4-17(16-19)
    25(26,27)28/h3-5,16,18,29
    -30H,2,6-15H2,1H3;
    ZKITWOVRRSBKFG-UHFFFAOYSA-N    		 CCOC(=O)N1CCC(CC1)NC2=C(C(=O)C2=O)NCCN3C
    CN(CC3)c4cccc(c4)C(F)(F)F; CCOC(=O)N1CCC
    (CC1)NC2=C(NCCN3CCN(CC3)c4cccc(c4)C(F)(F
    )F)C(=O)C2=O    		 squarunkin A;
    ethyl 4-[[3,4-bis(oxidanylidene)-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclobuten-1-yl]amino]piperidine-1-carboxylate
    28523
    LRY
    ZINC000034997269    		 6 C8 H16 N O9 P InChI=1S/C8H16NO9P/c1-4(1
    1)9-5(2-10)7(13)8(14)6(12
    )3-18-19(15,16)17/h2,5-8,
    12-14H,3H2,1H3,(H,9,11)(H
    2,15,16,17)/t5-,6-,7-,8-/
    m1/s1;
    QDSLHWJDSQGPEE-WCTZXXKLSA-N    		 CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO[
    P](O)(O)=O; CC(=O)N[C@H](C=O)[C@@H](O)[C
    @H](O)[C@H](O)CO[P](O)(O)=O; CC(=O)N[C@H
    ](C=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)
    O)O; O=P(OCC(O)C(O)C(O)C(C=O)NC(=O)C)(O)
    O; CC(=O)NC(C=O)C(C(C(COP(=O)(O)O)O)O)O    		 N-acetylmannosamine-6-phosphate
    28524
    LRZ
    CHEMBL5199380    		 6 C27 H32 N10 O7 InChI=1S/C27H32N10O7/c1-4
    3-25(41)14-7-13-3-4-15(9-
    16(13)17(38)8-14)36-27(42
    )31-6-2-5-30-26(29)32-10-
    18-20(39)21(40)24(44-18)3
    7-12-35-19-22(28)33-11-34
    -23(19)37/h3-4,7-9,11-12,
    18,20-21,24,38-40H,2,5-6,
    10H2,1H3,(H2,28,33,34)(H3
    ,29,30,32)(H2,31,36,42)/t
    18-,20-,21-,24-/m1/s1;
    GJPQENHVEQGHGP-UMCMBGNQSA-N    		 COC(=O)c1cc(O)c2cc(NC(=O)NCCCNC(=N)NC[CH
    ]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)c
    cc2c1; COC(=O)c1cc(O)c2cc(NC(=O)NCCCNC(=
    N)NC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5
    c(N)ncnc45)ccc2c1; COC(=O)c1cc2ccc(cc2c(
    c1)O)NC(=O)NCCCNC(=N)NCC3C(C(C(O3)n4cnc5
    c4ncnc5N)O)O; [H]/N=C(\NCCCNC(=O)Nc1ccc2
    cc(cc(c2c1)O)C(=O)OC)/NC[C@@H]3[C@H]([C@
    H]([C@@H](O3)n4cnc5c4ncnc5N)O)O    		 methyl 6-[3-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]propylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
    28525
    LS0    		 1 C16 H14 F N3 O InChI=1S/C16H14FN3O/c1-11
    -4-6-18-9-14(11)19-16(21)
    10-20-7-5-12-2-3-13(17)8-
    15(12)20/h2-9H,10H2,1H3,(
    H,19,21);
    FTEMSYPIGWJMTH-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)Cn2ccc3c2cc(cc3)F; Cc1ccn
    cc1NC(=O)Cn1ccc2ccc(F)cc21; Cc1ccncc1NC(
    =O)Cn2ccc3ccc(F)cc23    		 2-(6-fluoro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide
    28526
    LS1
    CHEMBL1234085
    DB08122
    ZINC000010254749    		 1 C16 H15 N3 O3 S InChI=1S/C16H15N3O3S/c1-1
    7-23(21,22)12-8-6-11(7-9-
    12)18-10-14-13-4-2-3-5-15
    (13)19-16(14)20/h2-10,17-
    18H,1H3,(H,19,20)/b14-10-;
    IKASAFLVQIJQOK-UVTDQMKNSA-N    		 CNS(=O)(=O)c1ccc(cc1)NC=C2c3ccccc3NC2=O;
    O=S(=O)(NC)c1ccc(cc1)N/C=C3/c2ccccc2NC3
    =O; CN[S](=O)(=O)c1ccc(NC=C2C(=O)Nc3cccc
    c23)cc1; CNS(=O)(=O)c1ccc(cc1)N\C=C/2\c3
    ccccc3NC2=O; CN[S](=O)(=O)c1ccc(N\C=C2/C
    (=O)Nc3ccccc23)cc1    		 N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
    28527
    LS2
    CHEMBL1234086
    DB08123
    ZINC000010254750    		 1 C17 H15 N5 O3 S2 InChI=1S/C17H15N5O3S2/c1-
    18-27(24,25)8-10-2-4-11(5
    -3-10)21-22-15-14-12(20-1
    7(15)23)6-7-13-16(14)26-9
    -19-13/h2-7,9,18,21H,8H2,
    1H3,(H,20,22,23);
    GEWPSTLKJDIUHW-UHFFFAOYSA-N    		 CN[S](=O)(=O)Cc1ccc(N\N=C2/C(=O)Nc3ccc4n
    csc4c23)cc1; CN[S](=O)(=O)Cc1ccc(NN=C2C(
    =O)Nc3ccc4ncsc4c23)cc1; CNS(=O)(=O)Cc1cc
    c(cc1)NN=C2c3c(ccc4c3scn4)NC2=O; O=S(=O)
    (NC)Cc1ccc(cc1)N/N=C2\C(=O)Nc4c2c3scnc3c
    c4    		 N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE
    28528
    LS3
    CHEMBL1234087
    DB08124
    ZINC000008552693    		 1 C20 H15 N3 O4 S InChI=1S/C20H15N3O4S/c24-
    20-17(7-22-15-3-1-13-9-28
    (25,26)10-14(13)5-15)16-6
    -12(2-4-18(16)23-20)19-8-
    21-11-27-19/h1-8,11,22H,9
    -10H2,(H,23,24)/b17-7-;
    FTQYGMLRLRXBPT-IDUWFGFVSA-N    		 O=C3Nc2ccc(c1ocnc1)cc2/C3=C/Nc4ccc5c(c4)
    CS(=O)(=O)C5; O=C1Nc2ccc(cc2C1=CNc3ccc4C
    [S](=O)(=O)Cc4c3)c5ocnc5; O=C\1Nc2ccc(cc
    2C\1=C/Nc3ccc4C[S](=O)(=O)Cc4c3)c5ocnc5;
    c1cc2c(cc1c3cnco3)C(=CNc4ccc5c(c4)CS(=O
    )(=O)C5)C(=O)N2    		 3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE
    28529
    LS4
    CHEMBL1234088
    DB08125
    ZINC000010254751    		 1 C18 H14 N4 O3 S2 InChI=1S/C18H14N4O3S2/c23
    -17-15(14-3-1-2-4-16(14)2
    1-17)11-20-12-5-7-13(8-6-
    12)27(24,25)22-18-19-9-10
    -26-18/h1-11,20H,(H,19,22
    )(H,21,23)/b15-11-;
    BOMPRXSVSIPRDT-PTNGSMBKSA-N    		 c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)Nc4
    nccs4)/C(=O)N2; O=C\1Nc2ccccc2C\1=C/Nc3c
    cc(cc3)[S](=O)(=O)Nc4sccn4; c1ccc2c(c1)C
    (=CNc3ccc(cc3)S(=O)(=O)Nc4nccs4)C(=O)N2;
    O=C1Nc2ccccc2C1=CNc3ccc(cc3)[S](=O)(=O)
    Nc4sccn4; O=S(=O)(Nc1nccs1)c4ccc(N/C=C3/
    c2ccccc2NC3=O)cc4    		 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE
    28530
    LS5
    CHEMBL1234089
    DB08126
    ZINC000006536092    		 2 C16 H15 N5 O3 S InChI=1S/C16H15N5O3S/c17-
    16(18)21-25(23,24)11-7-5-
    10(6-8-11)19-9-13-12-3-1-
    2-4-14(12)20-15(13)22/h1-
    9,19H,(H,20,22)(H4,17,18,
    21)/b13-9-;
    DMCRNUMVSATRTP-LCYFTJDESA-N    		 c1ccc2c(c1)C(=CNc3ccc(cc3)S(=O)(=O)NC(=N
    )N)C(=O)N2; NC(=N)N[S](=O)(=O)c1ccc(NC=C
    2C(=O)Nc3ccccc23)cc1; NC(=N)N[S](=O)(=O)
    c1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1; c1ccc2
    c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)NC(=N)N)/
    C(=O)N2; O=S(=O)(NC(=[N@H])N)c1ccc(cc1)N
    /C=C3/c2ccccc2NC3=O    		 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE
    28531
    LS6    		 1 C16 H22 N2 O2 InChI=1S/C16H22N2O2/c19-1
    6(17-20)7-6-15-9-12-18(13
    -10-15)11-8-14-4-2-1-3-5-
    14/h1-7,15,20H,8-13H2,(H,
    17,19);
    LPMFCCCECUVGJJ-UHFFFAOYSA-N    		 ONC(=O)C=CC1CCN(CC1)CCc2ccccc2; ONC(=O)/
    C=C/C1CCN(CCc2ccccc2)CC1; c1ccc(cc1)CCN2
    CCC(CC2)C=CC(=O)NO; c1ccc(cc1)CCN2CCC(CC
    2)/C=C/C(=O)NO; ONC(=O)/C=C/C1CCN(CC1)CC
    c2ccccc2    		 (2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
    28532
    LS7
    CHEMBL4473269    		 4 C21 H23 N5 O3 InChI=1S/C21H23N5O3/c1-21
    (2)12-14-10-16(17(11-18(1
    4)29-21)25-6-8-28-9-7-25)
    24-20(27)15-13-23-26-5-3-
    4-22-19(15)26/h3-5,10-11,
    13H,6-9,12H2,1-2H3,(H,24,
    27);
    LGCXMCBXSOYDBH-UHFFFAOYSA-N    		 CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1)
    N5CCOCC5; CC1(Cc2cc(c(cc2O1)N3CCOCC3)NC(
    =O)c4cnn5c4nccc5)C; c51c(cc(c(c1)NC(=O)c
    2cnn3c2nccc3)N4CCOCC4)OC(C5)(C)C    		 N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
    28533
    LS8
    CHEMBL3752151
    ZINC000254286814    		 4 C19 H17 N3 O4 S InChI=1S/C19H17N3O4S/c1-1
    2-8-14-10-15(5-6-16(14)22
    (2)19(12)23)21-27(24,25)1
    8-7-4-13(11-20)9-17(18)26
    -3/h4-10,21H,1-3H3;
    UEMQPCYDWCSVCU-UHFFFAOYSA-N    		 CC1=Cc2cc(ccc2N(C1=O)C)NS(=O)(=O)c3ccc(c
    c3OC)C#N; COc1cc(ccc1[S](=O)(=O)Nc2ccc3N
    (C)C(=O)C(=Cc3c2)C)C#N    		 4-cyano-~{N}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide
    28534
    LS9
    CHEMBL3236605
    ZINC000169743271    		 1 C5 H6 B N O2 InChI=1S/C5H6BNO2/c8-6(9)
    5-2-1-3-7-4-5/h1-4,8-9H;
    ABMYEXAYWZJVOV-UHFFFAOYSA-N    		 B(c1cccnc1)(O)O; OB(O)c1cccnc1 pyridin-3-ylboronic acid
    28535
    LSA
    CHEMBL310671
    DB12418
    ZINC000002560357    		 15 C7 H5 N O3 S InChI=1S/C7H5NO3S/c9-7-5-
    3-1-2-4-6(5)12(10,11)8-7/
    h1-4H,(H,8,9);
    CVHZOJJKTDOEJC-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)NS2(=O)=O; O=C2c1ccccc1S
    (=O)(=O)N2; O=C1N[S](=O)(=O)c2ccccc12    		 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE;
    SACCHARIN
    28536
    LSB
    ZINC000098209127    		 4 C29 H43 N O6 InChI=1S/C29H43NO6/c1-7-2
    2(26(32)30-19(5)25(34-27(
    30)33)21-13-11-10-12-14-2
    1)24(31)18(4)17-29(9-3)23
    (36-29)15-16-28(8-2)20(6)
    35-28/h10-14,18-20,22-25,
    31H,7-9,15-17H2,1-6H3/t18
    -,19+,20+,22+,23+,24-,25+
    ,28+,29+/m0/s1;
    PLMSSXURLNIBST-CWZDORBJSA-N    		 CC[CH]([CH](O)[CH](C)C[C]1(CC)O[CH]1CC[C
    ]2(CC)O[CH]2C)C(=O)N3[CH](C)[CH](OC3=O)c
    4ccccc4; CC[C@H]([C@@H](O)[C@@H](C)C[C@@
    ]1(CC)O[C@@H]1CC[C@@]2(CC)O[C@@H]2C)C(=O
    )N3[C@H](C)[C@@H](OC3=O)c4ccccc4; O=C2OC
    (c1ccccc1)C(N2C(=O)C(CC)C(O)C(C)CC4(OC4C
    CC3(OC3C)CC)CC)C; CCC(C(C(C)CC1(C(O1)CCC
    2(C(O2)C)CC)CC)O)C(=O)N3C(C(OC3=O)c4cccc
    c4)C; CC[C@H]([C@H]([C@@H](C)CC1([C@H](O
    1)CC[C@@]2([C@H](O2)C)CC)CC)O)C(=O)N3[C@
    @H]([C@@H](OC3=O)c4ccccc4)C    		 (4R,5S)-3-((2R,3S,4S)-2-ethyl-5-((2R,3R)-2-ethyl-3-(2-((2R,3R)-2-ethyl-3-methyloxiran-2-yl)ethyl)oxiran-2-yl)-3-hydroxy-4-methylpentanoyl)-4-methyl-5-phenyloxazolidin-2-one;
    (4R,5S)-3-[(2R,3S,4S)-2-ethyl-5-[(3R)-2-ethyl-3-[2-[(2R,3R)-2-ethyl-3-methyl-oxiran-2-yl]ethyl]oxiran-2-yl]-3-hydroxy-4-methyl-pentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
    28537
    LSC
    ZINC000062234213    		 5 C26 H53 N O7 P InChI=1S/C26H52NO7P/c1-5-
    6-7-8-9-10-11-12-13-14-15
    -16-17-18-19-20-26(29)32-
    23-25(28)24-34-35(30,31)3
    3-22-21-27(2,3)4/h12-13,2
    5,28H,5-11,14-24H2,1-4H3/
    p+1/b13-12+/t25-/m1/s1;
    YAMUFBLWGFFICM-ZOGNMOHXSA-O    		 CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](O)CO[P
    ](O)(=O)OCC[N+](C)(C)C; CCCCCCCCC=CCCCCC
    CCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O; C
    CCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](CO[P@](=
    O)(O)OCC[N+](C)(C)C)O; O=C(OCC(O)COP(=O)
    (OCC[N+](C)(C)C)O)CCCCCCC/C=C/CCCCCCCC;
    CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)
    (=O)OCC[N+](C)(C)C    		 (4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide
    28538
    LSD
    CHEMBL145347
    DB11423
    ZINC000004216707    		 2 C34 H54 O8 InChI=1S/C34H54O8/c1-9-25
    (31-21(6)18-34(11-3,42-31
    )26-16-17-33(40,10-2)23(8
    )41-26)30(37)22(7)28(35)1
    9(4)12-14-24-15-13-20(5)2
    9(36)27(24)32(38)39/h13,1
    5,19,21-23,25-26,28,31,35
    -36,40H,9-12,14,16-18H2,1
    -8H3,(H,38,39)/t19-,21+,2
    2+,23+,25+,26-,28+,31+,33
    -,34+/m1/s1;
    BBMULGJBVDDDNI-OWKLGTHSSA-N    		 O=C(O)c1c(O)c(ccc1CCC(C)C(O)C(C(=O)C(CC)
    C2OC(CC2C)(C3OC(C)C(O)(CC)CC3)CC)C)C; CC
    C(C1C(CC(O1)(CC)C2CCC(C(O2)C)(CC)O)C)C(=
    O)C(C)C(C(C)CCc3ccc(c(c3C(=O)O)O)C)O; CC
    [C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2C
    C[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@
    @H](O)[C@H](C)CCc3ccc(C)c(O)c3C(O)=O; CC
    [CH]([CH]1O[C](CC)(C[CH]1C)[CH]2CC[C](O)
    (CC)[CH](C)O2)C(=O)[CH](C)[CH](O)[CH](C)
    CCc3ccc(C)c(O)c3C(O)=O; CC[C@H]([C@@H]1[
    C@H](C[C@@](O1)(CC)[C@H]2CC[C@@]([C@@H](
    O2)C)(CC)O)C)C(=O)[C@@H](C)[C@H]([C@H](C
    )CCc3ccc(c(c3C(=O)O)O)C)O    		 Lasalocid A;
    6-[(3R,4S,5S,7R)-7-{(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methyltetrahydrofuran-2-yl}-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
    28539
    LSE    		 5 C18 H36 O10 Se Si InChI=1S/C18H36O10SeSi/c1
    -29-8-10-16(28-18-14(23)1
    2(21)11(20)9(7-19)26-18)1
    3(22)15(24)17(27-10)25-5-
    6-30(2,3)4/h9-24H,5-8H2,1
    -4H3/t9-,10-,11+,12+,13-,
    14-,15-,16-,17-,18+/m1/s1;
    DAHDBHYUNUXOAL-MUKCROHVSA-N    		 C[Si](C)(C)CCOC1C(C(C(C(O1)C[Se]C)OC2C(C
    (C(C(O2)CO)O)O)O)O)O; C[Se]C[CH]1O[CH](O
    CC[Si](C)(C)C)[CH](O)[CH](O)[CH]1O[CH]2O
    [CH](CO)[CH](O)[CH](O)[CH]2O; O(C1C(OC(O
    CC[Si](C)(C)C)C(O)C1O)C[Se]C)C2OC(C(O)C(
    O)C2O)CO; C[Si](C)(C)CCO[C@H]1[C@@H]([C@
    H]([C@@H]([C@H](O1)C[Se]C)O[C@H]2[C@@H](
    [C@H]([C@H]([C@H](O2)CO)O)O)O)O)O; C[Se]
    C[C@H]1O[C@@H](OCC[Si](C)(C)C)[C@H](O)[C
    @@H](O)[C@@H]1O[C@@H]2O[C@H](CO)[C@H](O)
    [C@H](O)[C@H]2O    		 2-(trimethylsilyl)ethyl 4-O-beta-D-galactopyranosyl-6-Se-methyl-6-seleno-beta-D-glucopyranoside
    28540
    LSF    		 1 C17 H17 N3 O3 InChI=1S/C17H17N3O3/c1-11
    -5-6-18-10-14(11)19-15(21
    )8-12-3-2-4-13(7-12)23-17
    -9-16(22)20-17/h2-7,10,17
    H,8-9H2,1H3,(H,19,21)(H,2
    0,22)/t17-/m1/s1;
    OWPHHWQTUZCDRN-QGZVFWFLSA-N    		 Cc1ccncc1NC(=O)Cc2cccc(c2)O[C@@H]3CC(=O)
    N3; Cc1ccncc1NC(=O)Cc2cccc(O[C@@H]3CC(=O
    )N3)c2; Cc1ccncc1NC(=O)Cc2cccc(O[CH]3CC(
    =O)N3)c2; Cc1ccncc1NC(=O)Cc1cccc(OC2CC(=
    O)N2)c1; Cc1ccncc1NC(=O)Cc2cccc(c2)OC3CC
    (=O)N3    		 N-(4-methylpyridin-3-yl)-2-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)acetamide
    28541
    LSG
    CHEMBL1169814
    ZINC000053295703    		 1 C16 H17 F I N3 O4 InChI=1S/C16H17FIN3O4/c1-
    9(23)14-8-11(16(24)20-25-
    6-5-22)15(21(14)2)19-13-4
    -3-10(18)7-12(13)17/h3-4,
    7-8,19,22H,5-6H2,1-2H3,(H
    ,20,24);
    WRHOGNMBUWCIAC-UHFFFAOYSA-N    		 Cn1c(Nc2ccc(I)cc2F)c(cc1C(C)=O)C(=O)NOCC
    O; CC(=O)c1cc(c(n1C)Nc2ccc(cc2F)I)C(=O)N
    OCCO; Ic1ccc(c(F)c1)Nc2c(cc(C(=O)C)n2C)C
    (=O)NOCCO    		 5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1-methyl-1H-pyrrole-3-carboxamide
    28542
    LSH
    ZINC000584905613    		 0 C11 H16 N3 O10 P S InChI=1S/C11H16N3O10PS/c1
    -5-2-14(10(17)12-8(5)16)9
    -6-7(15)11(24-9,3-23-25(1
    8,19)20)4-26(21,22)13-6/h
    2,6-7,9,13,15H,3-4H2,1H3,
    (H,12,16,17)(H2,18,19,20)
    /t6-,7+,9-,11+/m1/s1;
    BWIQWTUDCFCICX-SZVQBCOZSA-N    		 CC1=CN([CH]2O[C]3(CO[P](O)(O)=O)C[S](=O)
    (=O)N[CH]2[CH]3O)C(=O)NC1=O; CC1=CN(C(=O
    )NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CS(=
    O)(=O)N3)COP(=O)(O)O)O; CC1=CN([C@@H]2O[
    C@@]3(CO[P](O)(O)=O)C[S](=O)(=O)N[C@@H]2
    [C@@H]3O)C(=O)NC1=O; CC1=CN(C(=O)NC1=O)C
    2C3C(C(O2)(CS(=O)(=O)N3)COP(=O)(O)O)O    		 [(1R,5R,7R,8S)-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate
    28543
    LSI    		 2 C22 H22 N2 O5 Ru S InChI=1S/C17H17N2O5S.C5H5
    .Ru/c1-9-8-25-16-13(15(22
    )19(16)14(9)17(23)24)18-1
    2(21)7-6-11(20)10-4-2-3-5
    -10;1-2-4-5-3-1;/h2-5,13,
    16H,6-8H2,1H3,(H,18,21)(H
    ,23,24);1-5H;/t13-,16-;;/
    m1../s1;
    VVYXHQVDQWFSGH-DRUSRECESA-N    		 O=C1C(C2SCC(C)=C(C(=O)O)N12)NC(=O)CCC(=O
    )C%10%13[Ru]84569%12%11(C7C3C4C5C67)C(C9
    %10)C%11C%12%13; CC1=C(N2C(C(C2=O)NC(=O)
    CCC(=O)C34C5[Ru]3678923(C5C6C74)C4C8C9C2
    C34)SC1)C(=O)O; [Ru].CC1=C(N2[C@H](SC1)[
    C@H](NC(=O)CCC(=O)C3CCCC3)C2=O)C(O)=O.C4
    CCCC4; CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)
    CCC(=O)C34C5[Ru]3678923(C5C6C74)C4C8C9C2
    C34)SC1)C(=O)O; [Ru].CC1=C(N2[CH](SC1)[C
    H](NC(=O)CCC(=O)C3CCCC3)C2=O)C(O)=O.C4CC
    CC4    		 ruthenocenyl-7-aminodesacetoxycephalosporanic acid
    28544
    LSJ
    CHEMBL3120317    		 1 C25 H25 N O4 S InChI=1S/C25H25NO4S/c1-4-
    20(17-9-7-11-19(15-17)26-
    31(3,27)28)25-21-12-5-6-1
    3-22(21)30-16-18-10-8-14-
    23(29-2)24(18)25/h5-15,26
    H,4,16H2,1-3H3/b25-20-;
    PHIKAOOZNGLKDI-QQTULTPQSA-N    		 O=S(=O)(Nc1cccc(c1)/C(=C2/c4c(OCc3c2c(OC
    )ccc3)cccc4)CC)C; CCC(=C1c2ccccc2OCc3c1c
    (ccc3)OC)c4cccc(c4)NS(=O)(=O)C; CCC(\c1c
    ccc(N[S](C)(=O)=O)c1)=C2/c3ccccc3OCc4ccc
    c(OC)c24; CC/C(=C/1\c2ccccc2OCc3c1c(ccc3
    )OC)/c4cccc(c4)NS(=O)(=O)C; CCC(c1cccc(N
    [S](C)(=O)=O)c1)=C2c3ccccc3OCc4cccc(OC)c
    24    		 N-{3-[(1Z)-1-(10-methoxydibenzo[b,e]oxepin-11(6H)-ylidene)propyl]phenyl}methanesulfonamide
    28545
    LSK
    CHEMBL5206272    		 6 C29 H36 N10 O7 InChI=1S/C29H36N10O7/c1-4
    5-27(43)16-9-15-5-6-17(11
    -18(15)19(40)10-16)38-29(
    44)33-8-4-2-3-7-32-28(31)
    34-12-20-22(41)23(42)26(4
    6-20)39-14-37-21-24(30)35
    -13-36-25(21)39/h5-6,9-11
    ,13-14,20,22-23,26,40-42H
    ,2-4,7-8,12H2,1H3,(H2,30,
    35,36)(H3,31,32,34)(H2,33
    ,38,44)/t20-,22-,23-,26-/
    m1/s1;
    UBOFQOGNZXZZPE-HUBRGWSESA-N    		 COC(=O)c1cc2ccc(cc2c(c1)O)NC(=O)NCCCCCNC
    (=N)NCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O; COC
    (=O)c1cc(O)c2cc(NC(=O)NCCCCCNC(=N)NC[CH]
    3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)cc
    c2c1; [H]/N=C(/NCCCCCNC(=O)Nc1ccc2cc(cc(
    c2c1)O)C(=O)OC)\NC[C@@H]3[C@H]([C@H]([C@
    @H](O3)n4cnc5c4ncnc5N)O)O; COC(=O)c1cc(O
    )c2cc(NC(=O)NCCCCCNC(=N)NC[C@H]3O[C@H]([
    C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)ccc2c1    		 methyl 6-[5-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
    28546
    LSL
    CHEMBL5208990    		 1 C13 H14 N2 O2 S InChI=1S/C13H14N2O2S/c16-
    13(15-17)12-3-1-10(2-4-12
    )7-14-8-11-5-6-18-9-11/h1
    -6,9,14,17H,7-8H2,(H,15,1
    6);
    UUYNWXQYZUGELG-UHFFFAOYSA-N    		 ONC(=O)c1ccc(CNCc2cscc2)cc1; ONC(=O)c1cc
    c(CNCc2ccsc2)cc1; c1cc(ccc1CNCc2ccsc2)C(
    =O)NO    		 N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide
    28547
    LSM    		 5 C24 H46 O10 Se InChI=1S/C24H46O10Se/c1-2
    -3-4-5-6-7-8-9-10-11-12-3
    5-24-21(31)19(29)22(16(14
    -26)33-24)34-23-20(30)18(
    28)17(27)15(13-25)32-23/h
    15-31H,2-14H2,1H3/t15-,16
    -,17-,18+,19-,20-,21-,22-
    ,23-,24+/m1/s1;
    MEIBWTYMLPEGMV-ALYNCGSASA-N    		 CCCCCCCCCCCC[Se][CH]1O[CH](CO)[CH](O[CH]
    2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[C
    H]1O; CCCCCCCCCCCC[Se]C1C(C(C(C(O1)CO)OC
    2C(C(C(C(O2)CO)O)O)O)O)O; CCCCCCCCCCCC[S
    e][C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](
    CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H
    ]1O; CCCCCCCCCCCC[Se][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(C1C(OC([
    Se]CCCCCCCCCCCC)C(O)C1O)CO)C2OC(C(O)C(O)
    C2O)CO    		 dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside;
    DODECYL-BETA-D-SELENOMALTOSIDE
    28548
    LSN
    CHEMBL191
    DB00678
    ZINC000003873160    		 23 C22 H23 Cl N6 O InChI=1S/C22H23ClN6O/c1-2
    -3-8-20-24-21(23)19(14-30
    )29(20)13-15-9-11-16(12-1
    0-15)17-6-4-5-7-18(17)22-
    25-27-28-26-22/h4-7,9-12,
    30H,2-3,8,13-14H2,1H3,(H,
    25,26,27,28);
    PSIFNNKUMBGKDQ-UHFFFAOYSA-N    		 CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]n
    n4)CO)Cl; CCCCc1nc(Cl)c(CO)n1Cc2ccc(cc2)
    c3ccccc3c4n[nH]nn4    		 [2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol;
    Losartan
    28549
    LSO
    ZINC000058660601    		 0 C16 H26 N2 O9 S InChI=1S/C16H26N2O9S/c17-
    13(16(24)25)3-1-2-8-18-11
    (4-6-14(20)21)9-28(26,27)
    10-12(19)5-7-15(22)23/h13
    H,1-10,17H2,(H,20,21)(H,2
    2,23)(H,24,25)/b18-11+/t1
    3-/m0/s1;
    VZZTXTHYLVASGB-FHXOWUIVSA-N    		 N[CH](CCCCN=C(CCC(O)=O)C[S](=O)(=O)CC(=O
    )CCC(O)=O)C(O)=O; N[C@@H](CCCCN=C(CCC(O)
    =O)C[S](=O)(=O)CC(=O)CCC(O)=O)C(O)=O; C(
    CCN=C(CCC(=O)O)CS(=O)(=O)CC(=O)CCC(=O)O)
    CC(C(=O)O)N; C(CC/N=C(\CCC(=O)O)/CS(=O)(
    =O)CC(=O)CCC(=O)O)C[C@@H](C(=O)O)N; O=S(
    =O)(C/C(=N/CCCCC(C(=O)O)N)CCC(=O)O)CC(=O
    )CCC(=O)O    		 (Z)-N~6~-(3-CARBOXY-1-{[(4-CARBOXY-2-OXOBUTYL)SULFONYL]METHYL}PROPYLIDENE)-L-LYSINE;
    2-AMINO-6-[3-CARBOXY-2-OXO-BUTANE-1-SULFONYLMETHYL-PROPYLIDENEAMINO]-HEXANOIC ACID
    28550
    LSP
    DB04731    		 0 C7 H17 N O7 P InChI=1S/C7H16NO7P/c1-6(9
    )13-4-7(10)5-15-16(11,12)
    14-3-2-8/h7,10H,2-5,8H2,1
    H3,(H,11,12)/p+1/t7-/m0/s
    1;
    CWRILEGKIAOYKP-ZETCQYMHSA-O    		 CC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[NH3+])O
    ; CC(=O)OC[CH](O)CO[P](O)(=O)OCC[NH3+];
    CC(=O)OC[C@H](O)CO[P@](O)(=O)OCC[NH3+];
    O=C(OCC(O)COP(=O)(OCC[NH3+])O)C; CC(=O)O
    CC(COP(=O)(O)OCC[NH3+])O    		 (7S)-4,7-DIHYDROXY-10-OXO-3,5,9-TRIOXA-4-PHOSPHAUNDECAN-1-AMINIUM 4-OXIDE;
    1-ACETYL-2-LYSO-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
    28551
    LSQ
    CHEMBL4450225
    ZINC000000334870    		 1 C9 H9 Cl O2 InChI=1S/C9H9ClO2/c10-8-3
    -1-2-7(6-8)4-5-9(11)12/h1
    -3,6H,4-5H2,(H,11,12);
    CLTDVBQNUHHYCA-UHFFFAOYSA-N    		 OC(=O)CCc1cccc(Cl)c1; c1cc(cc(c1)Cl)CCC(
    =O)O    		 3-(3-chlorophenyl)propanoic acid
    28552
    LSR
    DB08127
    ZINC000058639152    		 6 C15 H24 InChI=1S/C15H24/c1-6-12(2
    )9-10-14-13(3)8-7-11-15(1
    4,4)5/h6,9-10H,7-8,11H2,1
    -5H3/b10-9+,12-6+;
    KUEVAPFABUUVHS-AYCKBHPDSA-N    		 C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C; C\C=C(C)
    \C=C\C1=C(C)CCCC1(C)C; CC=C(C)C=CC1=C(C)
    CCCC1(C)C; CC=C(C)C=CC1=C(CCCC1(C)C)C; C
    (/C1=C(CCCC1(C)C)C)=C\C(=C\C)C    		 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene
    28553
    LSS
    CHEMBL1163081
    ZINC000033821383    		 19 C16 H25 N7 O7 S InChI=1S/C16H25N7O7S/c1-7
    (2)3-8(17)15(26)22-31(27,
    28)29-4-9-11(24)12(25)16(
    30-9)23-6-21-10-13(18)19-
    5-20-14(10)23/h5-9,11-12,
    16,24-25H,3-4,17H2,1-2H3,
    (H,22,26)(H2,18,19,20)/t8
    -,9+,11+,12+,16+/m0/s1;
    XFEDFDTWJLGMBO-LEJQEAHTSA-N    		 CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@
    H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N;
    CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2c
    nc3c2ncnc3N)O)O)N; O=C(NS(=O)(=O)OCC3OC(
    n2cnc1c(ncnc12)N)C(O)C3O)C(N)CC(C)C; CC(
    C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH](
    [CH](O)[CH]1O)n2cnc3c(N)ncnc23; CC(C)C[C
    @H](N)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C
    @H](O)[C@@H]1O)n2cnc3c(N)ncnc23    		 5'-O-(L-leucylsulfamoyl)adenosine;
    5-O-N-LEUCYL-SULFAMOYLADENOSINE
    28554
    LST
    ZINC000584905615    		 0 C12 H18 N3 O10 P S InChI=1S/C12H18N3O10PS/c1
    -6-3-15(11(18)13-9(6)17)1
    0-7-8(16)12(25-10,4-24-26
    (19,20)21)5-27(22,23)14(7
    )2/h3,7-8,10,16H,4-5H2,1-
    2H3,(H,13,17,18)(H2,19,20
    ,21)/t7-,8+,10-,12+/m1/s1;
    GLEXYOQXMPFGCY-CCCLYZFWSA-N    		 CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@
    @](O2)(CS(=O)(=O)N3C)COP(=O)(O)O)O; CN1[
    C@@H]2[C@H](O)[C@](CO[P](O)(O)=O)(C[S]1(
    =O)=O)O[C@H]2N3C=C(C)C(=O)NC3=O; CC1=CN(
    C(=O)NC1=O)C2C3C(C(O2)(CS(=O)(=O)N3C)COP
    (=O)(O)O)O; CN1[CH]2[CH](O)[C](CO[P](O)(
    O)=O)(C[S]1(=O)=O)O[CH]2N3C=C(C)C(=O)NC3
    =O    		 [(1R,5R,7R,8S)-2-methyl-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate
    28555
    LSU
    CHEMBL4467328    		 1 C15 H24 N4 O9 S InChI=1S/C15H24N4O9S/c1-7
    (2)5-8(16)13(23)18-29(25,
    26)27-6-9-11(21)12(22)14(
    28-9)19-4-3-10(20)17-15(1
    9)24/h3-4,7-9,11-12,14,21
    -22H,5-6,16H2,1-2H3,(H,18
    ,23)(H,17,20,24)/t8-,9+,1
    1+,12+,14+/m0/s1;
    ZSXZGQLSAQIVTI-XKYXEJCGSA-N    		 CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[C
    H]([CH](O)[CH]1O)N2C=CC(=O)NC2=O; CC(C)C
    [C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@
    H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N; CC(C
    )C[C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H
    ]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O; CC(C
    )CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)N2C=CC(=
    O)NC2=O)O)O)N    		 5'-O-(N-(L-Leucyl)-Sulfamoyl)Uridine
    28556
    LSV
    CHEMBL4466517    		 4 C21 H23 N5 O4 InChI=1S/C21H23N5O4/c1-21
    (13-27)11-14-9-16(17(10-1
    8(14)30-21)25-5-7-29-8-6-
    25)24-20(28)15-12-23-26-4
    -2-3-22-19(15)26/h2-4,9-1
    0,12,27H,5-8,11,13H2,1H3,
    (H,24,28)/t21-/m1/s1;
    JLKSBHRAVFWETB-OAQYLSRUSA-N    		 CC1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c
    4nccc5)CO; c45cc(NC(c1c2n(nc1)cccn2)=O)c
    (N3CCOCC3)cc4OC(C5)(C)CO; C[C@]1(CO)Cc2c
    c(NC(=O)c3cnn4cccnc34)c(cc2O1)N5CCOCC5;
    C[C]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2
    O1)N5CCOCC5; C[C@@]1(Cc2cc(c(cc2O1)N3CCO
    CC3)NC(=O)c4cnn5c4nccc5)CO    		 N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
    28557
    LSW
    CHEMBL212710
    ZINC000034867476    		 1 C27 H34 N4 O5 InChI=1S/C27H34N4O5/c28-1
    5-7-6-12-22(30-23(26(33)3
    4)14-13-18-8-2-1-3-9-18)2
    5(32)31-24(27(35)36)16-19
    -17-29-21-11-5-4-10-20(19
    )21/h1-5,8-11,17,22-24,29
    -30H,6-7,12-16,28H2,(H,31
    ,32)(H,33,34)(H,35,36)/t2
    2-,23-,24-/m0/s1;
    JXNGDSIPMBNTNL-HJOGWXRNSA-N    		 NCCCC[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N
    [CH](Cc2c[nH]c3ccccc23)C(O)=O; c1ccc(cc1
    )CCC(C(=O)O)NC(CCCCN)C(=O)NC(Cc2c[nH]c3c
    2cccc3)C(=O)O; NCCCC[C@H](N[C@@H](CCc1cc
    ccc1)C(O)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc
    23)C(O)=O; c1ccc(cc1)CC[C@@H](C(=O)O)N[C
    @@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3c2cccc
    3)C(=O)O    		 N~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-tryptophan
    28558
    LSX
    ZINC000219081495    		 2 C12 H18 N O6 P InChI=1S/C12H18NO6P/c1-13
    (15)12(14)8-7-11(20(16,17
    )18)9-3-5-10(19-2)6-4-9/h
    3-6,11,15H,7-8H2,1-2H3,(H
    2,16,17,18)/t11-/m0/s1;
    VLBYPFQOJHBTHH-NSHDSACASA-N    		 COc1ccc(cc1)[C@H](CCC(=O)N(C)O)[P](O)(O)
    =O; O=P(O)(O)C(c1ccc(OC)cc1)CCC(=O)N(O)C
    ; CN(C(=O)CC[C@@H](c1ccc(cc1)OC)P(=O)(O)
    O)O; CN(C(=O)CCC(c1ccc(cc1)OC)P(=O)(O)O)
    O; COc1ccc(cc1)[CH](CCC(=O)N(C)O)[P](O)(
    O)=O    		 [(1S)-4-[hydroxy(methyl)amino]-1-(4-methoxyphenyl)-4-oxobutyl]phosphonic acid
    28559
    LSY
    ZINC000001649176    		 1 C6 H14 N4 O2 InChI=1S/C6H14N4O2/c1-9(2
    )5(11)7-8-6(12)10(3)4/h1-
    4H3,(H,7,11)(H,8,12);
    RAUKYARZDOSMOO-UHFFFAOYSA-N    		 CN(C)C(=O)NNC(=O)N(C)C; CN(C)C(NNC(=O)N(
    C)C)=O    		 N~1~,N~1~,N~2~,N~2~-tetramethylhydrazine-1,2-dicarboxamide
    28560
    LSZ    		 1 C32 H36 N6 O5 InChI=1S/C32H36N6O5/c1-5-
    42-29-8-6-22(21(2)39)19-2
    8(29)34-31(40)24-16-23(27
    -10-11-37(4)35-27)17-25(1
    8-24)33-32(41)30-9-7-26(4
    3-30)20-38-14-12-36(3)13-
    15-38/h6-11,16-19H,5,12-1
    5,20H2,1-4H3,(H,33,41)(H,
    34,40);
    UOPWJMNPOBVGRX-UHFFFAOYSA-N    		 CCOc1ccc(cc1NC(=O)c2cc(cc(c2)NC(=O)c3ccc
    (o3)CN4CCN(CC4)C)c5ccn(n5)C)C(=O)C; CCOc
    1ccc(cc1NC(=O)c2cc(NC(=O)c3oc(CN4CCN(C)C
    C4)cc3)cc(c2)c5ccn(C)n5)C(C)=O    		 ~{N}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide
    28561
    LT0    		 1 C14 H17 N3 O4 InChI=1S/C14H17N3O4/c15-1
    0(13(19)17-12(7-18)14(20)
    21)5-8-6-16-11-4-2-1-3-9(
    8)11/h1-4,6,10,12,16,18H,
    5,7,15H2,(H,17,19)(H,20,2
    1)/t10-,12+/m1/s1;
    MYVYPSWUSKCCHG-PWSUYJOCSA-N    		 N[CH](Cc1c[nH]c2ccccc12)C(=O)N[CH](CO)C(
    O)=O; N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@
    @H](CO)C(O)=O; c1ccc2c(c1)c(c[nH]2)CC(C(
    =O)NC(CO)C(=O)O)N; c1ccc2c(c1)c(c[nH]2)C
    [C@H](C(=O)N[C@@H](CO)C(=O)O)N    		 D-tryptophyl-L-serine;
    (2~{S})-2-[[(2~{R})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoic acid;
    D-Trp-Ser dipeptide
    28562
    LT1
    CHEMBL1234093
    ZINC000001747835    		 1 C9 H11 Cl InChI=1S/C9H11Cl/c10-8-4-
    7-9-5-2-1-3-6-9/h1-3,5-6H
    ,4,7-8H2;
    XZBXAYCCBFTQHH-UHFFFAOYSA-N    		 c1ccc(cc1)CCCCl; ClCCCc1ccccc1 (3-chloropropyl)benzene
    28563
    LT2    		 2 C8 H7 N O3 InChI=1S/C8H7NO3/c10-6-1-
    4-5(2-7(6)11)9-3-8(4)12/h
    1-2,8-9,12H,3H2/t8-/m1/s1;
    LXXQZMIOKXLXPT-MRVPVSSYSA-N    		 C1C(C2=CC(=O)C(=O)C=C2N1)O; O[CH]1CNC2=C
    C(=O)C(=O)C=C12; O=C1C=C2C(=CC1=O)NCC2O;
    O[C@@H]1CNC2=CC(=O)C(=O)C=C12; C1[C@H](
    C2=CC(=O)C(=O)C=C2N1)O    		 (3S)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione
    28564
    LT3
    ZINC000026290186    		 2 C12 H12 F3 N InChI=1S/C12H12F3N/c13-12
    (14,15)9-3-1-2-6-7-4-5-8(
    10(6)9)11(7)16/h1-3,7-8,1
    1H,4-5,16H2/t7-,8+,11-/m0
    /s1;
    HHIJEPNAHYLKPE-RNSXUZJQSA-N    		 N[C@H]1[C@H]2CC[C@@H]1c3c2cccc3C(F)(F)F;
    c1cc2c(c(c1)C(F)(F)F)C3CCC2C3N; c1cc2c(
    c(c1)C(F)(F)F)[C@H]3CC[C@@H]2[C@@H]3N; N
    [CH]1[CH]2CC[CH]1c3c2cccc3C(F)(F)F; FC(F
    )(F)c1cccc2c1C3CCC2C3N    		 (1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine
    28565
    LT4    		 0 C8 H11 N O3 InChI=1S/C8H11NO3/c9-4-8(
    12)5-1-2-6(10)7(11)3-5/h1
    -3,8,10-12H,4,9H2/t8-/m0/
    s1;
    SFLSHLFXELFNJZ-QMMMGPOBSA-N    		 c1cc(c(cc1[C@H](CN)O)O)O; NC[CH](O)c1ccc
    (O)c(O)c1; c1cc(c(cc1C(CN)O)O)O; Oc1ccc(
    cc1O)C(O)CN; NC[C@H](O)c1ccc(O)c(O)c1    		 Norepinephrine;
    Noradrenaline
    28566
    LT5
    DB08129
    ZINC000001566179    		 2 C9 H10 F3 N O InChI=1S/C9H10F3NO/c10-9(
    11,12)7-3-1-2-6(4-7)8(14)
    5-13/h1-4,8,14H,5,13H2/t8
    -/m0/s1;
    RRBRWAPWPGAJMA-QMMMGPOBSA-N    		 c1cc(cc(c1)C(F)(F)F)C(CN)O; NC[CH](O)c1c
    ccc(c1)C(F)(F)F; NC[C@H](O)c1cccc(c1)C(F
    )(F)F; c1cc(cc(c1)C(F)(F)F)[C@H](CN)O; F
    C(F)(F)c1cccc(c1)C(O)CN    		 (1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol;
    3-Trifluoromethyl phenylethanolamine
    28567
    LT6
    CHEMBL1091916
    ZINC000049072695    		 2 C23 H29 F N2 O4 InChI=1S/C23H29FN2O4/c1-3
    -4-13-26(2)23(29)22-19(24
    )11-8-12-20(22)30-16-21(2
    8)25-18(15-27)14-17-9-6-5
    -7-10-17/h5-12,18,27H,3-4
    ,13-16H2,1-2H3,(H,25,28)/
    t18-/m0/s1;
    XFQXPLKWVDQXAD-SFHVURJKSA-N    		 CCCCN(C)C(=O)c1c(F)cccc1OCC(=O)N[CH](CO)
    Cc2ccccc2; CCCCN(C)C(=O)c1c(cccc1F)OCC(=
    O)NC(Cc2ccccc2)CO; CCCCN(C)C(=O)c1c(cccc
    1F)OCC(=O)N[C@@H](Cc2ccccc2)CO; CCCCN(C)
    C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc2cccc
    c2    		 2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-N-butyl-6-fluoro-N-methylbenzamide
    28568
    LT7
    ZINC000000564327    		 1 C13 H17 N3 O InChI=1S/C13H17N3O/c1-9(2
    )14-8-12-15-13(16-17-12)1
    1-6-4-10(3)5-7-11/h4-7,9,
    14H,8H2,1-3H3;
    XQOSNFJUNZPHAW-UHFFFAOYSA-N    		 CC(C)NCc1onc(n1)c2ccc(C)cc2; Cc1ccc(cc1)
    c2nc(on2)CNC(C)C    		 ~{N}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
    28569
    LT8
    CHEMBL4550663
    ZINC000002506147    		 1 C10 H8 N2 O2 InChI=1S/C10H8N2O2/c13-10
    (14)8-4-1-2-5-9(8)12-7-3-
    6-11-12/h1-7H,(H,13,14);
    MHACZVWKWUMHRR-UHFFFAOYSA-N    		 OC(=O)c1ccccc1n2cccn2; c1ccc(c(c1)C(=O)O
    )n2cccn2    		 2-pyrazol-1-ylbenzoic acid
    28570
    LT9    		 1 C17 H15 Cl N2 O2 InChI=1S/C17H15ClN2O2/c1-
    11-5-6-19-10-15(11)20-16(
    22)17(8-14(21)9-17)12-3-2
    -4-13(18)7-12/h2-7,10H,8-
    9H2,1H3,(H,20,22);
    NYGOHBKHNOCJCL-UHFFFAOYSA-N    		 O=C(Nc1cnccc1C)C1(CC(=O)C1)c1cccc(Cl)c1;
    Cc1ccncc1NC(=O)C2(CC(=O)C2)c3cccc(c3)Cl
    ; Cc1ccncc1NC(=O)C2(CC(=O)C2)c3cccc(Cl)c
    3    		 1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)-3-oxocyclobutane-1-carboxamide
    28571
    LTA
    ZINC000006439128    		 0 C10 H22 N2 O3 InChI=1S/C10H22N2O3/c1-2-
    15-10(14)7-9(13)8(12)5-3-
    4-6-11/h8-9,13H,2-7,11-12
    H2,1H3/t8-,9-/m0/s1;
    YWYXVAACIALMCZ-IUCAKERBSA-N    		 CCOC(=O)CC(C(CCCCN)N)O; CCOC(=O)C[C@@H](
    [C@H](CCCCN)N)O; O=C(OCC)CC(O)C(N)CCCCN;
    CCOC(=O)C[CH](O)[CH](N)CCCCN; CCOC(=O)C
    [C@H](O)[C@@H](N)CCCCN    		 4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTER;
    STATINE ANALOGUE
    28572
    LTB
    CHEMBL65061
    DB12961
    ZINC000004623738    		 5 C20 H32 O4 InChI=1S/C20H32O4/c1-2-3-
    4-5-6-9-13-18(21)14-10-7-
    8-11-15-19(22)16-12-17-20
    (23)24/h6-11,14-15,18-19,
    21-22H,2-5,12-13,16-17H2,
    1H3,(H,23,24)/b8-7+,9-6-,
    14-10+,15-11-/t18-,19-/m1
    /s1;
    VNYSSYRCGWBHLG-AMOLWHMGSA-N    		 CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O; CCC
    CC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O
    )O)O)O; O=C(O)CCCC(O)\C=C/C=C/C=C/C(O)C\
    C=C/CCCCC; CCCCCC=CC[CH](O)C=CC=CC=C[CH]
    (O)CCCC(O)=O; CCCCC\C=C/C[C@@H](O)\C=C\C
    =C\C=C/[C@@H](O)CCCC(O)=O    		 LEUKOTRIENE B4
    28573
    LTC
    ZINC000098209129    		 5 C39 H70 N2 O13 InChI=1S/C39H70N2O13/c1-5
    -7-9-11-12-13-14-15-16-17
    -18-20-22-31(45)52-28(24-
    49-30(44)21-19-10-8-6-2)2
    5-50-39-36(48)37(34(46)29
    (23-42)53-39)54-38-33(41-
    27(4)43)35(47)32(40)26(3)
    51-38/h14-15,26,28-29,32-
    39,42,46-48H,5-13,16-25,4
    0H2,1-4H3,(H,41,43)/b15-1
    4-/t26-,28-,29-,32+,33-,3
    4-,35+,36-,37+,38+,39+/m1
    /s1;
    PANDRCFROUDETH-PVQRVOPISA-N    		 O=C(NC2C(O)C(N)C(OC2OC1C(O)C(OC(OCC(OC(=
    O)CCCCC\C=C/CCCCCCC)COC(=O)CCCCCC)C1O)CO
    )C)C; CCCCCCCC=CCCCCCC(=O)OC(COC1C(C(C(C
    (O1)CO)O)OC2C(C(C(C(O2)C)N)O)NC(=O)C)O)C
    OC(=O)CCCCCC; CCCCCCCC=CCCCCCC(=O)O[CH](
    CO[CH]1O[CH](CO)[CH](O)[CH](O[CH]2O[CH](
    C)[CH](N)[CH](O)[CH]2NC(C)=O)[CH]1O)COC(
    =O)CCCCCC; CCCCCCCC=CCCCCCC(=O)O[C@@H](C
    O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)
    O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)N
    )O)NC(=O)C)O)COC(=O)CCCCCC; CCCCCCC\C=C/
    CCCCCC(=O)O[C@@H](CO[C@H]1O[C@H](CO)[C@@
    H](O)[C@H](O[C@@H]2O[C@H](C)[C@H](N)[C@H
    ](O)[C@H]2NC(C)=O)[C@H]1O)COC(=O)CCCCCC    		 (2S)-1-({3-O-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-D-galactopyranosyl]-alpha-D-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7Z)-pentadec-7-enoate;
    Lipoteichoic acid
    28574
    LTD
    CHEMBL288943
    DB11858
    ZINC000004632133    		 1 C25 H40 N2 O6 S InChI=1S/C25H40N2O6S/c1-2
    -3-4-5-6-7-8-9-10-11-12-1
    3-16-22(21(28)15-14-17-23
    (29)30)34-19-20(26)25(33)
    27-18-24(31)32/h6-7,9-13,
    16,20-22,28H,2-5,8,14-15,
    17-19,26H2,1H3,(H,27,33)(
    H,29,30)(H,31,32)/b7-6-,1
    0-9-,12-11+,16-13+/t20-,2
    1-,22+/m0/s1;
    YEESKJGWJFYOOK-IJHYULJSSA-N    		 CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N
    )C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O; CCCCC
    C=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NC
    C(=O)O)N; CCCCC/C=C\C/C=C\C=C\C=C\[C@H](
    [C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O
    )N; CCCCCC=CCC=CC=CC=C[CH](SC[CH](N)C(=O
    )NCC(O)=O)[CH](O)CCCC(O)=O    		 (5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-azanyl-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid
    28575
    LTE    		 0 C18 H29 N9 O5 InChI=1S/C18H29N9O5/c19-9
    (17(30)31)3-1-5-22-18(21)
    23-6-2-4-10-12(28)13(29)1
    6(32-10)27-8-26-11-14(20)
    24-7-25-15(11)27/h7-10,12
    -13,16,28-29H,1-6,19H2,(H
    ,30,31)(H2,20,24,25)(H3,2
    1,22,23)/t9-,10+,12+,13+,
    16+/m0/s1;
    BMAYSUQGGXYXQD-UOYPZJKHSA-N    		 N[CH](CCCNC(=N)NCCC[CH]1O[CH]([CH](O)[CH
    ]1O)n2cnc3c(N)ncnc23)C(O)=O; N[C@@H](CCC
    NC(=N)NCCC[C@H]1O[C@H]([C@H](O)[C@@H]1O)
    n2cnc3c(N)ncnc23)C(O)=O; c1nc(c2c(n1)n(c
    n2)C3C(C(C(O3)CCCNC(=N)NCCCC(C(=O)O)N)O)
    O)N; [H]/N=C(/NCCC[C@@H]1[C@H]([C@H]([C@
    @H](O1)n2cnc3c2ncnc3N)O)O)\NCCC[C@@H](C(
    =O)O)N    		 1-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]-3-[(4~{S})-4-azanyl-5-oxidanylidene-pentyl]guanidine
    28576
    LTF
    CHEMBL107313
    ZINC000003821308    		 2 C15 H20 N2 O5 InChI=1S/C15H20N2O5/c1-4-
    5-9-6-10(7-12(20-2)13(9)2
    1-3)15-16-11(8-22-15)14(1
    8)17-19/h6-7,11,19H,4-5,8
    H2,1-3H3,(H,17,18)/t11-/m
    1/s1;
    DGGKRIGJIQRXQD-LLVKDONJSA-N    		 CCCc1cc(cc(c1OC)OC)C2=NC(CO2)C(=O)NO; CC
    Cc1cc(cc(OC)c1OC)C2=N[CH](CO2)C(=O)NO; C
    CCc1cc(cc(OC)c1OC)C2=N[C@H](CO2)C(=O)NO;
    CCCc1cc(cc(c1OC)OC)C2=N[C@H](CO2)C(=O)N
    O; O=C(NO)C1N=C(OC1)c2cc(OC)c(OC)c(c2)CC
    C    		 (4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
    28577
    LTG
    ZINC000100006629    		 5 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3(9
    )5(11)6(12)4(10)2-8/h3,5-
    9,11-12H,1-2H2/t3-,5+,6-/
    m0/s1;
    BJHIKXHVCXFQLS-LFRDXLMFSA-N    		 C([C@@H]([C@H]([C@H](C(=O)CO)O)O)O)O; O=
    C(C(O)C(O)C(O)CO)CO; C(C(C(C(C(=O)CO)O)O
    )O)O; OC[C@H](O)[C@@H](O)[C@@H](O)C(=O)C
    O; OC[CH](O)[CH](O)[CH](O)C(=O)CO    		 L-tagatose
    28578
    LTH
    CHEMBL2152047
    DB11192
    ZINC000000901061    		 2 C4 H8 O5 InChI=1S/C4H8O5/c5-1-2(6)
    3(7)4(8)9/h2-3,5-7H,1H2,(
    H,8,9)/t2-,3+/m0/s1;
    JPIJQSOTBSSVTP-STHAYSLISA-N    		 OC[CH](O)[CH](O)C(O)=O; O=C(O)C(O)C(O)CO
    ; OC[C@H](O)[C@@H](O)C(O)=O; C(C(C(C(=O)
    O)O)O)O; C([C@@H]([C@H](C(=O)O)O)O)O    		 (2R,3S)-2,3,4-trihydroxybutanoic acid;
    L-Threonic acid
    28579
    LTI
    ZINC000103548884    		 1 C16 H18 N4 O2 S2 InChI=1S/C16H18N4O2S2/c17
    -13(21)12-14(19-16(18)22)
    24-20-15(12)23-11-8-4-2-6
    -9-5-1-3-7-10(9)11/h1,3,5
    ,7,11,20H,2,4,6,8H2,(H2,1
    7,21)(H2,18,22)/b19-14-/t
    11-/m1/s1;
    BLCWVDAFBKECPI-PFMFLNCGSA-N    		 c1ccc2c(c1)CCCCC2SC3=C(C(=NC(=O)N)SN3)C(
    =O)N; c1ccc2c(c1)CCCC[C@H]2SC3=C(/C(=N/C
    (=O)N)/SN3)C(=O)N; NC(=O)N=C1SNC(=C1C(N)
    =O)S[CH]2CCCCc3ccccc23; NC(=O)N=C1SNC(=C
    1C(N)=O)S[C@@H]2CCCCc3ccccc23; O=C(/N=C3
    \SNC(SC2c1ccccc1CCCC2)=C3C(=O)N)N    		 (5Z)-5-(carbamoylimino)-3-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydroisothiazole-4-carboxamide
    28580
    LTJ    		 2 C20 H25 F N4 O2 InChI=1S/C20H25FN4O2/c1-4
    -6-16(26)24-13-7-5-8-25(1
    0-13)19-15(21)9-14(20(22)
    27)18-17(19)11(2)12(3)23-
    18/h4,6,9,13,23H,5,7-8,10
    H2,1-3H3,(H2,22,27)(H,24,
    26)/b6-4+/t13-/m0/s1;
    BCSXUDNOTSZTNK-BPJJOFIESA-N    		 C3(CCCN(c1c2c(c(cc1F)C(=O)N)nc(C)c2C)C3)
    NC(C=[C@H]C)=O; CC=CC(=O)NC1CCCN(C1)c2c(
    cc(c3c2c(c([nH]3)C)C)C(=O)N)F; C/C=C/C(=
    O)N[C@H]1CCCN(C1)c2c(F)cc(C(N)=O)c3[nH]c
    (C)c(C)c23; C/C=C/C(=O)N[C@H]1CCCN(C1)c2
    c(cc(c3c2c(c([nH]3)C)C)C(=O)N)F; CC=CC(=
    O)N[CH]1CCCN(C1)c2c(F)cc(C(N)=O)c3[nH]c(
    C)c(C)c23    		 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
    28581
    LTK
    CHEMBL4435863    		 1 C16 H15 Cl N2 O2 S2 InChI=1S/C16H15ClN2O2S2/c
    1-10-14-8-12(17)5-6-15(14
    )22-16(10)23(20,21)19-13-
    4-2-3-11(7-13)9-18/h2-8,1
    9H,9,18H2,1H3;
    OMVVAHZLDYMIPY-UHFFFAOYSA-N    		 Cc1c2cc(ccc2sc1S(=O)(=O)Nc3cccc(c3)CN)Cl
    ; Cc1c2cc(Cl)ccc2sc1[S](=O)(=O)Nc3cccc(C
    N)c3    		 ~{N}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide
    28582
    LTL
    DB03711    		 1 C8 H16 O2 InChI=1S/C8H16O2/c1-4-7(9
    )5-6-8(2,3)10/h10H,4-6H2,
    1-3H3;
    FGPMBONEKHYAHO-UHFFFAOYSA-N    		 CCC(=O)CCC(C)(C)O; O=C(CC)CCC(O)(C)C 6-HYDROXY-6-METHYL-HEPTAN-3-ONE
    28583
    LTM
    ZINC000095920947    		 2 C8 H14 N2 O5 InChI=1S/C8H14N2O5/c1-3(1
    2)9-5-7(14)6(13)4(2-11)10
    -8(5)15/h4-7,11,13-14H,2H
    2,1H3,(H,9,12)(H,10,15)/t
    4-,5-,6-,7-/m1/s1;
    DLGBPZFGIMUEIM-DBRKOABJSA-N    		 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](NC1=O)C
    O)O)O; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO
    )NC1=O; CC(=O)NC1C(C(C(NC1=O)CO)O)O; O=C
    1NC(CO)C(O)C(O)C1NC(=O)C; CC(=O)N[C@@H]1
    [C@@H](O)[C@H](O)[C@@H](CO)NC1=O    		 N-ACETYL GLUCONOLACTAM
    28584
    LTN
    CHEMBL227123
    DB04537
    ZINC000000057505    		 7 C11 H13 N3 O InChI=1S/C11H13N3O/c12-9(
    11(13)15)5-7-6-14-10-4-2-
    1-3-8(7)10/h1-4,6,9,14H,5
    ,12H2,(H2,13,15)/t9-/m0/s
    1;
    JLSKPBDKNIXMBS-VIFPVBQESA-N    		 c1ccc2c(c1)c(c[nH]2)CC(C(=O)N)N; O=C(N)C
    (N)Cc2c1ccccc1nc2; N[C@@H](Cc1c[nH]c2ccc
    cc12)C(N)=O; N[CH](Cc1c[nH]c2ccccc12)C(N
    )=O; c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N)
    N    		 L-TRYPTOPHANAMIDE
    28585
    LTO
    CHEMBL5207713    		 1 C18 H23 N3 O2 InChI=1S/C18H23N3O2/c22-1
    8(20-23)6-5-14-7-10-21(11
    -8-14)12-9-15-13-19-17-4-
    2-1-3-16(15)17/h1-6,13-14
    ,19,23H,7-12H2,(H,20,22)/
    b6-5+;
    ULPMTANVOCUWOD-AATRIKPKSA-N    		 c1ccc2c(c1)c(c[nH]2)CCN3CCC(CC3)C=CC(=O)
    NO; ONC(=O)/C=C/C1CCN(CCc2c[NH]c3ccccc23
    )CC1; c1ccc2c(c1)c(c[nH]2)CCN3CCC(CC3)/C
    =C/C(=O)NO; ONC(=O)\C=C\C1CCN(CC1)CCc2c[
    nH]c3ccccc23; ONC(=O)C=CC1CCN(CC1)CCc2c[
    nH]c3ccccc23    		 (2E)-N-hydroxy-3-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide
    28586
    LTP
    ZINC000013435046    		 2 C9 H15 N3 O10 P2 InChI=1S/C9H15N3O10P2/c10
    -7-1-2-12(9(14)11-7)8-3-5
    (13)6(21-8)4-20-24(18,19)
    22-23(15,16)17/h1-2,5-6,8
    ,13H,3-4H2,(H,18,19)(H2,1
    0,11,14)(H2,15,16,17)/t5-
    ,6+,8+/m1/s1;
    FTDHDKPUHBLBTL-CHKWXVPMSA-N    		 C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O
    )(O)O)O; C1[C@H]([C@@H](O[C@@H]1N2C=CC(=
    NC2=O)N)COP(=O)(O)OP(=O)(O)O)O; NC1=NC(=
    O)N(C=C1)[C@@H]2C[C@@H](O)[C@H](CO[P](O)
    (=O)O[P](O)(O)=O)O2; NC1=NC(=O)N(C=C1)[C
    H]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O
    )O2; O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C
    (N)C=C1)CC2O    		 4-amino-1-{2-deoxy-5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one
    28587
    LTQ
    CHEMBL3770935
    ZINC000263621088    		 2 C16 H21 N5 O4 S2 InChI=1S/C16H21N5O4S2/c1-
    12-8-13(9-17)2-3-14(12)19
    -4-6-20(7-5-19)27(24,25)2
    1-11-26-10-15(21)16(22)18
    -23/h2-3,8,15,23H,4-7,10-
    11H2,1H3,(H,18,22)/t15-/m
    1/s1;
    UGVOWFLXYXPRQV-OAHLLOKOSA-N    		 Cc1cc(ccc1N2CCN(CC2)S(=O)(=O)N3CSCC3C(=O
    )NO)C#N; O=C(NO)C1CSCN1S(=O)(N2CCN(CC2)c
    3c(cc(cc3)C#N)C)=O; Cc1cc(ccc1N2CCN(CC2)
    [S](=O)(=O)N3CSC[C@@H]3C(=O)NO)C#N; Cc1c
    c(ccc1N2CCN(CC2)[S](=O)(=O)N3CSC[CH]3C(=
    O)NO)C#N; Cc1cc(ccc1N2CCN(CC2)S(=O)(=O)N
    3CSC[C@@H]3C(=O)NO)C#N    		 (4S)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-hydroxy-1,3-thiazolidine-4-carboxamide
    28588
    LTR    		 0 C11 H12 N2 O2 InChI=1/C11H12N2O2/c12-9(
    11(14)15)5-7-6-13-10-4-2-
    1-3-8(7)10/h1-4,6,9,13H,5
    ,12H2,(H,14,15)/t9-/m0/s1
    /f/h14H;
    QIVBCDIJIAJPQS-FKOBDKTLDJ    		 O=C(O)C(N)Cc2c1ccccc1nc2; c1ccc2c(c1)c(c
    [nH]2)C[C@@H](C(=O)O)N; c1ccc2c(c1)c(c[n
    H]2)CC(C(=O)O)N; N[CH](Cc1c[nH]c2ccccc12
    )C(O)=O; N[C@@H](Cc1c[nH]c2ccccc12)C(O)=
    O    		 L-TRYPTOPHAN
    28589
    LTS
    CHEMBL3098609
    ZINC000095920724    		 2 C21 H16 F3 N5 O3 S InChI=1S/C21H16F3N5O3S/c2
    2-21(23,24)32-17-2-1-3-19
    (12-17)33(30,31)18-6-4-15
    (5-7-18)13-27-20(28-14-25
    )29-16-8-10-26-11-9-16/h1
    -12H,13H2,(H2,26,27,28,29
    );
    OSHZYJJYBZWSLR-UHFFFAOYSA-N    		 FC(F)(F)Oc1cccc(c1)[S](=O)(=O)c2ccc(CNC(
    Nc3ccncc3)=NC#N)cc2; c1cc(cc(c1)S(=O)(=O
    )c2ccc(cc2)CN/C(=N\C#N)/Nc3ccncc3)OC(F)(
    F)F; FC(F)(F)Oc1cc(ccc1)S(=O)(=O)c2ccc(c
    c2)CN/C(=N\C#N)Nc3ccncc3; c1cc(cc(c1)S(=
    O)(=O)c2ccc(cc2)CNC(=NC#N)Nc3ccncc3)OC(F
    )(F)F    		 2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine
    28590
    LTT
    CHEMBL359164
    DB04961
    ZINC000001642845    		 2 C8 H11 N3 O4 InChI=1S/C8H11N3O4/c9-5-1
    -2-11(8(13)10-5)6-4-14-7(
    3-12)15-6/h1-2,6-7,12H,3-
    4H2,(H2,9,10,13)/t6-,7-/m
    0/s1;
    RXRGZNYSEHTMHC-BQBZGAKWSA-N    		 C1C(OC(O1)CO)N2C=CC(=NC2=O)N; O=C1N=C(N)
    C=CN1C2OC(OC2)CO; C1[C@H](O[C@H](O1)CO)N
    2C=CC(=NC2=O)N; NC1=NC(=O)N(C=C1)[C@@H]2
    CO[C@H](CO)O2; NC1=NC(=O)N(C=C1)[CH]2CO[
    CH](CO)O2    		 4-AMINO-1-[(2S,4S)-2-(HYDROXYMETHYL)-1,3-DIOXOLAN-4-YL]PYRIMIDIN-2(1H)-ONE;
    (-)-L-2',3'-DIDEOXY-3'-OXACYTIDINE;
    TROXACITABINE;
    TROXATYL
    28591
    LTU    		 0 C16 H20 N2 O4 InChI=1S/C16H20N2O4/c1-16
    (2,12-8-22-12)18-7-10(14(
    19)13(17)15(20)21)9-5-3-4
    -6-11(9)18/h3-7,12-14,19H
    ,8,17H2,1-2H3,(H,20,21)/t
    12-,13+,14-/m1/s1;
    RPWCRDPTKUYOFA-HZSPNIEDSA-N    		 CC(C)([C@H]1CO1)n2cc(c3c2cccc3)[C@H]([C@
    @H](C(=O)O)N)O; CC(C)([CH]1CO1)n2cc([CH]
    (O)[CH](N)C(O)=O)c3ccccc23; CC(C)([C@H]1
    CO1)n2cc([C@@H](O)[C@H](N)C(O)=O)c3ccccc
    23; CC(C)(C1CO1)n2cc(c3c2cccc3)C(C(C(=O)
    O)N)O    		 2-Amino-3-hydroxy-3-[1-[2-(oxiran-2-yl)propan-2-yl]indol-3-yl]propanoic acid;
    (2~{S},3~{R})-2-azanyl-3-oxidanyl-3-[1-[2-[(2~{S})-oxiran-2-yl]propan-2-yl]indol-3-yl]propanoic acid
    28592
    LTV    		 30 C46 H90 O5 InChI=1S/C46H90O5/c1-3-5-
    7-9-11-13-15-17-19-20-21-
    22-23-24-25-27-29-31-33-3
    5-37-39-41-46(49)51-43-44
    (47)42-50-45(48)40-38-36-
    34-32-30-28-26-18-16-14-1
    2-10-8-6-4-2/h44,47H,3-43
    H2,1-2H3/t44-/m0/s1;
    XHUXLZVWHLYNKB-SJARJILFSA-N    		 CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC
    (=O)CCCCCCCCCCCCCCCCC)O; CCCCCCCCCCCCCCC
    CCCCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCCC
    CCCCCCCCC; O=C(OCC(O)COC(=O)CCCCCCCCCCCC
    CCCCC)CCCCCCCCCCCCCCCCCCCCCCCC; CCCCCCCC
    CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC
    CCCCCCCCC)O; CCCCCCCCCCCCCCCCCCCCCCCCC(=
    O)OC[CH](O)COC(=O)CCCCCCCCCCCCCCCCC    		 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate
    28593
    LTW    		 1 C31 H31 N5 O6 InChI=1S/C31H31N5O6/c1-20
    (37)21-5-6-27(42-11-9-36-
    16-31(17-36)18-40-19-31)2
    6(15-21)33-29(38)23-12-22
    (25-7-8-35(2)34-25)13-24(
    14-23)32-30(39)28-4-3-10-
    41-28/h3-8,10,12-15H,9,11
    ,16-19H2,1-2H3,(H,32,39)(
    H,33,38);
    VJMNNCAJWFIBNF-UHFFFAOYSA-N    		 CC(=O)c1ccc(c(c1)NC(=O)c2cc(cc(c2)NC(=O)
    c3ccco3)c4ccn(n4)C)OCCN5CC6(C5)COC6; Cn1
    ccc(n1)c2cc(NC(=O)c3occc3)cc(c2)C(=O)Nc4
    cc(ccc4OCCN5CC6(COC6)C5)C(C)=O    		 ~{N}-[3-[[5-ethanoyl-2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
    28594
    LTX
    CHEMBL451509
    DB08855
    ZINC000004095814    		 13 C30 H47 N3 O9 S InChI=1S/C30H47N3O9S/c1-2
    -3-4-5-6-7-8-9-10-11-12-1
    3-16-25(24(34)15-14-17-27
    (36)37)43-21-23(29(40)32-
    20-28(38)39)33-26(35)19-1
    8-22(31)30(41)42/h6-7,9-1
    3,16,22-25,34H,2-5,8,14-1
    5,17-21,31H2,1H3,(H,32,40
    )(H,33,35)(H,36,37)(H,38,
    39)(H,41,42)/b7-6-,10-9-,
    12-11+,16-13+/t22-,23-,24
    -,25+/m0/s1;
    GWNVDXQDILPJIG-NXOLIXFESA-N    		 CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC
    (=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[
    C@@H](C(=O)O)N; CCCCC\C=C/C\C=C/C=C/C=C/
    [C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(
    =O)NCC(O)=O)[C@@H](O)CCCC(O)=O; CCCCCC=C
    CC=CC=CC=C[CH](SC[CH](NC(=O)CC[CH](N)C(O
    )=O)C(=O)NCC(O)=O)[CH](O)CCCC(O)=O; CCCC
    CC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)N
    CC(=O)O)NC(=O)CCC(C(=O)O)N    		 (5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-( 2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid;
    Leukotriene C4
    28595
    LTY
    CHEMBL3950656    		 4 C22 H23 N7 O InChI=1S/C22H23N7O/c23-13
    -15-4-9-28(10-5-15)20-12-
    18-16(3-1-6-24-18)11-19(2
    0)27-22(30)17-14-26-29-8-
    2-7-25-21(17)29/h1-3,6-8,
    11-12,14-15H,4-5,9-10,13,
    23H2,(H,27,30);
    BFBOXYLGKAPSFY-UHFFFAOYSA-N    		 NCC1CCN(CC1)c2cc3ncccc3cc2NC(=O)c4cnn5cc
    cnc45; c4c(NC(c1c2n(nc1)cccn2)=O)c(N3CCC
    (CC3)CN)cc5c4cccn5; c1cc2cc(c(cc2nc1)N3C
    CC(CC3)CN)NC(=O)c4cnn5c4nccc5    		 N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
    28596
    LTZ
    CHEMBL2398242
    ZINC000096908704    		 2 C36 H43 Cl2 N5 O3 S InChI=1S/C36H43Cl2N5O3S/c
    1-7-28-16-17-29(33(45)40-
    18-19-41(23(5)44)22(4)20-
    40)42(28)34(46)31-30(21(2
    )3)43-32(24-8-12-26(37)13
    -9-24)36(6,39-35(43)47-31
    )25-10-14-27(38)15-11-25/
    h8-15,21-22,28-29,32H,7,1
    6-20H2,1-6H3/t22-,28-,29+
    ,32-,36+/m1/s1;
    NYMONQQQYOURJF-GTVZXTIFSA-N    		 CCC1CCC(N1C(=O)C2=C(N3C(C(N=C3S2)(C)c4cc
    c(cc4)Cl)c5ccc(cc5)Cl)C(C)C)C(=O)N6CCN(C
    (C6)C)C(=O)C; CC[C@@H]1CC[C@H](N1C(=O)C2
    =C(N3[C@@H]([C@](N=C3S2)(C)c4ccc(cc4)Cl)
    c5ccc(cc5)Cl)C(C)C)C(=O)N6CCN([C@@H](C6)
    C)C(=O)C; CC[CH]1CC[CH](N1C(=O)C2=C(C(C)
    C)N3[CH](c4ccc(Cl)cc4)[C](C)(N=C3S2)c5cc
    c(Cl)cc5)C(=O)N6CCN([CH](C)C6)C(C)=O; CC
    [C@@H]1CC[C@H](N1C(=O)C2=C(C(C)C)N3[C@H]
    (c4ccc(Cl)cc4)[C@@](C)(N=C3S2)c5ccc(Cl)c
    c5)C(=O)N6CCN([C@H](C)C6)C(C)=O; O=C(N6C
    (C)CN(C(=O)C5N(C(=O)C=3SC4=NC(c1ccc(Cl)c
    c1)(C(c2ccc(Cl)cc2)N4C=3C(C)C)C)C(CC)CC5
    )CC6)C    		 (5R,6S)-2-[((2S,5R)-2-{[(3R)-4-acetyl-3-methylpiperazin-1-yl]carbonyl}-5-ethylpyrrolidin-1-yl)carbonyl]-5,6-bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
    28597
    LU    		 1 Lu InChI=1S/Lu/q+3;
    PSDMOPINLDTFSZ-UHFFFAOYSA-N    		 [Lu+3] LUTETIUM (III) ION;
    LU
    28598
    LU0    		 2 C6 H14 N2 O4 S InChI=1S/C6H14N2O4S/c1-4(
    2)3-5(6(9)10)8-13(7,11)12
    /h4-5,8H,3H2,1-2H3,(H,9,1
    0)(H2,7,11,12)/t5-/m0/s1;
    WYJHWWUFTZEBIK-YFKPBYRVSA-N    		 CC(C)C[CH](N[S](N)(=O)=O)C(O)=O; CC(C)C[
    C@@H](C(=O)O)NS(=O)(=O)N; CC(C)CC(C(=O)O
    )NS(=O)(=O)N; CC(C)C[C@H](N[S](N)(=O)=O)
    C(O)=O    		 Sulphamoil Leucine
    28599
    LU1
    ZINC000098209131    		 1 C26 H24 F N5 O5 InChI=1S/C26H24FN5O5/c1-1
    4-22-24(30-12-29-14)32(13
    -31-22)26-21(34)11-18(37-
    26)3-2-8-28-25(36)19-9-16
    (10-20(33)23(19)35)15-4-6
    -17(27)7-5-15/h2-7,9-10,1
    2-13,18,21,26,33-35H,8,11
    H2,1H3,(H,28,36)/b3-2+/t1
    8-,21-,26-/m1/s1;
    NFOSSDOJFGCEOO-DEAZYUCPSA-N    		 Cc1ncnc2n(cnc12)[C@@H]3O[C@@H](C[C@H]3O)
    \C=C\CNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5; C
    c1c2c(ncn1)n(cn2)[C@H]3[C@@H](C[C@H](O3)
    /C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O;
    Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/
    C5OC(n4cnc3c(ncnc34)C)C(O)C5; Cc1c2c(ncn
    1)n(cn2)C3C(CC(O3)C=CCNC(=O)c4cc(cc(c4O)
    O)c5ccc(cc5)F)O; Cc1ncnc2n(cnc12)[CH]3O[
    CH](C[CH]3O)C=CCNC(=O)c4cc(cc(O)c4O)c5cc
    c(F)cc5    		 4'-fluoro-4,5-dihydroxy-N-{(2E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-9H-purin-9-yl)tetrahydrofuran-2-yl]prop-2-en-1-yl}biphenyl-3-carboxamide
    28600
    LU2
    CHEMBL151
    DB15584
    ZINC000018185774    		 26 C15 H10 O6 InChI=1S/C15H10O6/c16-8-4
    -11(19)15-12(20)6-13(21-1
    4(15)5-8)7-1-2-9(17)10(18
    )3-7/h1-6,16-19H;
    IQPNAANSBPBGFQ-UHFFFAOYSA-N    		 Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3;
    c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
    ; O=C1c3c(OC(=C1)c2ccc(O)c(O)c2)cc(O)cc3
    O    		 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one;
    Luteolin
    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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