Home Research COVID-19 Services Publications People Teaching Job Opening News Forum --> -->
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

Search Ligand

Ligand ID    Formula    InChI    InChIKey    SMILES    Ligand name     

Browse Ligand

  • Click # to view 2D diagram of the ligand.
  • 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 ";".

    • << < 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 > >>
    Go to page
    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    22601 HN2
    ZINC000058633012    		 1 C16 H21 N O4 InChI=1S/C16H21NO4/c18-12
    -7-6-11(17-9-14(20)16(21)
    15(12)17)8-13(19)10-4-2-1
    -3-5-10/h1-5,11-12,14-16,
    18,20-21H,6-9H2/t11-,12-,
    14-,15-,16-/m1/s1;
    HEBIMHSFXQMUTK-CCECPURYSA-N    		 c1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]
    2C[C@H]([C@H]3O)O)O; O[C@@H]1CC[C@H](CC(
    =O)c2ccccc2)N3C[C@@H](O)[C@@H](O)[C@@H]1
    3; c1ccc(cc1)C(=O)CC2CCC(C3N2CC(C3O)O)O;
    O[CH]1CC[CH](CC(=O)c2ccccc2)N3C[CH](O)[
    CH](O)[CH]13; O=C(c1ccccc1)CC2N3C(C(O)CC
    2)C(O)C(O)C3    		 1-phenyl-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone;
    (1S,2R,5R,8R,8aR)-5-[2'-oxo-2'-(phenyl)ethyl]-1,2,8-trihydroxy-indolizidine
    22602 HN3
    ZINC000036422168    		 1 C17 H23 N O4 InChI=1S/C17H23NO4/c1-10-
    2-4-11(5-3-10)14(20)8-12-
    6-7-13(19)16-17(22)15(21)
    9-18(12)16/h2-5,12-13,15-
    17,19,21-22H,6-9H2,1H3/t1
    2-,13-,15-,16-,17-/m1/s1;
    APAFVLSHHZZYGV-PVTMVUMOSA-N    		 Cc1ccc(cc1)C(=O)C[CH]2CC[CH](O)[CH]3[CH]
    (O)[CH](O)CN23; Cc1ccc(cc1)C(=O)C[C@H]2C
    C[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O; O=
    C(c1ccc(cc1)C)CC2N3C(C(O)CC2)C(O)C(O)C3;
    Cc1ccc(cc1)C(=O)CC2CCC(C3N2CC(C3O)O)O;
    Cc1ccc(cc1)C(=O)C[C@H]2CC[C@@H](O)[C@@H]
    3[C@H](O)[C@H](O)CN23    		 1-(4-methylphenyl)-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone;
    (1S,2R,5R,8R,8aR)-5-[2'-oxo-2'-(4-methylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine
    22603 HN4
    ZINC000058660318    		 1 C20 H29 N O4 InChI=1S/C20H29NO4/c1-20(
    2,3)13-6-4-12(5-7-13)16(2
    3)10-14-8-9-15(22)18-19(2
    5)17(24)11-21(14)18/h4-7,
    14-15,17-19,22,24-25H,8-1
    1H2,1-3H3/t14-,15-,17-,18
    -,19-/m1/s1;
    PKZGDTMZYSPKOW-POGZOPGASA-N    		 O=C(c1ccc(cc1)C(C)(C)C)CC2N3C(C(O)CC2)C(
    O)C(O)C3; CC(C)(C)c1ccc(cc1)C(=O)CC2CCC(
    C3N2CC(C3O)O)O; CC(C)(C)c1ccc(cc1)C(=O)C
    [C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)
    O)O; CC(C)(C)c1ccc(cc1)C(=O)C[C@H]2CC[C@
    @H](O)[C@@H]3[C@H](O)[C@H](O)CN23; CC(C)
    (C)c1ccc(cc1)C(=O)C[CH]2CC[CH](O)[CH]3[C
    H](O)[CH](O)CN23    		 1-(4-tert-butylphenyl)-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone;
    (1S,2R,5R,8R,8aR)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine
    22604 HN5
    ZINC000058660324    		 1 C20 H31 N O3 InChI=1S/C20H31NO3/c1-20(
    2,3)14-7-4-13(5-8-14)6-9-
    15-10-11-16(22)18-19(24)1
    7(23)12-21(15)18/h4-5,7-8
    ,15-19,22-24H,6,9-12H2,1-
    3H3/t15-,16+,17+,18+,19+/
    m0/s1;
    QXPSLCODOUKVQZ-UURKPOQGSA-N    		 CC(C)(C)c1ccc(CC[CH]2CC[CH](O)[CH]3[CH](
    O)[CH](O)CN23)cc1; CC(C)(C)c1ccc(cc1)CCC
    2CCC(C3N2CC(C3O)O)O; CC(C)(C)c1ccc(cc1)C
    C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O
    )O)O; CC(C)(C)c1ccc(CC[C@H]2CC[C@@H](O)[
    C@@H]3[C@H](O)[C@H](O)CN23)cc1; OC1CCC(N
    2C1C(O)C(O)C2)CCc3ccc(cc3)C(C)(C)C    		 (1S,2R,5S,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol;
    (1S,2R,5S,8R,8aR)-5-[2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine
    22605 HN6
    ZINC000058633017    		 1 C20 H31 N O3 InChI=1S/C20H31NO3/c1-20(
    2,3)14-7-4-13(5-8-14)6-9-
    15-10-11-16(22)18-19(24)1
    7(23)12-21(15)18/h4-5,7-8
    ,15-19,22-24H,6,9-12H2,1-
    3H3/t15-,16-,17-,18-,19-/
    m1/s1;
    QXPSLCODOUKVQZ-FVVUREQNSA-N    		 CC(C)(C)c1ccc(CC[CH]2CC[CH](O)[CH]3[CH](
    O)[CH](O)CN23)cc1; CC(C)(C)c1ccc(cc1)CCC
    2CCC(C3N2CC(C3O)O)O; CC(C)(C)c1ccc(cc1)C
    C[C@@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3
    O)O)O; CC(C)(C)c1ccc(CC[C@@H]2CC[C@@H](O
    )[C@@H]3[C@H](O)[C@H](O)CN23)cc1; OC1CCC
    (N2C1C(O)C(O)C2)CCc3ccc(cc3)C(C)(C)C    		 (1S,2R,5R,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol;
    (1S,2R,5R,8R,8aR)-5-[2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine
    22606 HN7
    ZINC000038317951    		 1 C20 H29 N O4 InChI=1S/C20H29NO4/c1-20(
    2,3)13-6-4-12(5-7-13)16(2
    3)10-14-8-9-15(22)18-19(2
    5)17(24)11-21(14)18/h4-7,
    14-15,17-19,22,24-25H,8-1
    1H2,1-3H3/t14-,15+,17+,18
    +,19+/m0/s1;
    PKZGDTMZYSPKOW-ZPKKHLQPSA-N    		 O=C(c1ccc(cc1)C(C)(C)C)CC2N3C(C(O)CC2)C(
    O)C(O)C3; CC(C)(C)c1ccc(cc1)C(=O)C[C@@H]
    2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O;
    CC(C)(C)c1ccc(cc1)C(=O)CC2CCC(C3N2CC(C3O
    )O)O; CC(C)(C)c1ccc(cc1)C(=O)C[CH]2CC[CH
    ](O)[CH]3[CH](O)[CH](O)CN23; CC(C)(C)c1c
    cc(cc1)C(=O)C[C@@H]2CC[C@@H](O)[C@@H]3[C
    @H](O)[C@H](O)CN23    		 1-(4-tert-butylphenyl)-2-[(1S,2R,5S,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone;
    (1S,2R,5S,8R,8aR)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine
    22607 HN8
    CHEMBL401114
    ZINC000002004156    		 0 C17 H19 N O4 InChI=1S/C17H19NO4/c1-20-
    11-2-3-17-12-6-14-13(21-9
    -22-14)4-10(12)7-18(8-16(
    17)19)15(17)5-11/h2-4,6,1
    1,15-16,19H,5,7-9H2,1H3/t
    11-,15+,16+,17+/m1/s1;
    YGPRSGKVLATIHT-HSHDSVGOSA-N    		 COC1CC2C3(C=C1)c4cc5c(cc4CN2CC3O)OCO5; C
    O[C@H]1C[C@@H]2[N@@]3C[C@H](O)[C@@]2(C=C
    1)c4cc5OCOc5cc4C3; CO[C@H]1C[C@H]2[C@]3(
    C=C1)c4cc5c(cc4CN2C[C@@H]3O)OCO5; CO[CH]
    1C[CH]2[N]3C[CH](O)[C]2(C=C1)c4cc5OCOc5c
    c4C3    		 Haemanthamine;
    Haemanthamin;
    Natalensin;
    3-Epicrinamine
    22608 HN9
    CHEMBL165087
    ZINC000027873512    		 4 C11 H10 N2 O3 InChI=1S/C11H10N2O3/c14-9
    -3-1-8(2-4-9)7-13-6-5-12-
    10(13)11(15)16/h1-6,14H,7
    H2,(H,15,16);
    LLGCUNZOZLGRNP-UHFFFAOYSA-N    		 c1cc(ccc1Cn2ccnc2C(=O)O)O; Oc1ccc(Cn2ccn
    c2C(O)=O)cc1    		 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid
    22609 HNA
    CHEMBL574060
    DB03035
    ZINC000035283738    		 1 C14 H7 N O6 InChI=1S/C14H7NO6/c16-8-3
    -1-2-6-10(8)14(19)12-9(17
    )5-4-7(15(20)21)11(12)13(
    6)18/h1-5,16-17H;
    RIYCICFDXLNQPV-UHFFFAOYSA-N    		 [O-][N+](=O)c3ccc(O)c2C(=O)c1c(cccc1O)C(
    =O)c23; Oc1cccc2C(=O)c3c(ccc(O)c3C(=O)c1
    2)[N+]([O-])=O; c1cc2c(c(c1)O)C(=O)c3c(c
    cc(c3C2=O)[N+](=O)[O-])O    		 1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE
    22610 HNB 0 C9 H18 O2 InChI=1S/C9H18O2/c1-2-3-4
    -5-8-6-7-9(10)11-8/h8-10H
    ,2-7H2,1H3/t8-,9+/m1/s1;
    FAPYUVKMJWJMEH-BDAKNGLRSA-N    		 CCCCCC1CCC(O1)O; OC1OC(CCCCC)CC1; CCCCC[
    C@@H]1CC[C@H](O1)O; CCCCC[CH]1CC[CH](O)O
    1; CCCCC[C@@H]1CC[C@@H](O)O1    		 (2S,5R)-5-pentyltetrahydrofuran-2-ol
    22611 HNC
    ZINC000058638573    		 0 C12 H23 N O4 S InChI=1S/C12H23NO4S/c1-2-
    3-4-5-10(15)11(6-7-14)18-
    8-9(13)12(16)17/h7,9-11,1
    5H,2-6,8,13H2,1H3,(H,16,1
    7)/t9-,10+,11-/m0/s1;
    SALPDUSHMTYYOH-AXFHLTTASA-N    		 CCCCCC(C(CC=O)SCC(C(=O)O)N)O; CCCCC[CH](
    O)[CH](CC=O)SC[CH](N)C(O)=O; CCCCC[C@@H]
    (O)[C@H](CC=O)SC[C@H](N)C(O)=O; O=C(O)C(
    N)CSC(C(O)CCCCC)CC=O; CCCCC[C@H]([C@H](C
    C=O)SC[C@@H](C(=O)O)N)O    		 S-[(1S,2R)-2-hydroxy-1-(2-oxoethyl)heptyl]-L-cysteine;
    Cysteine covalently modified with 4-hydroxy-2-nonenal
    22612 HND
    ZINC000038522806    		 0 C9 H20 O2 InChI=1S/C9H20O2/c1-2-3-4
    -6-9(11)7-5-8-10/h9-11H,2
    -8H2,1H3/t9-/m0/s1;
    BBKPDHOKNRMWQN-VIFPVBQESA-N    		 CCCCC[CH](O)CCCO; OCCCC(O)CCCCC; CCCCCC(
    CCCO)O; CCCCC[C@@H](CCCO)O; CCCCC[C@H](O
    )CCCO    		 (4S)-nonane-1,4-diol
    22613 HNE
    ZINC000002020117    		 2 C9 H16 O2 InChI=1S/C9H16O2/c1-2-3-4
    -6-9(11)7-5-8-10/h5,7-9,1
    1H,2-4,6H2,1H3/b7-5+/t9-/
    m1/s1;
    JVJFIQYAHPMBBX-VPIOIWJLSA-N    		 CCCCCC(C=CC=O)O; O=C/C=C/C(O)CCCCC; CCCC
    C[C@H](C=CC=O)O; CCCCC[CH](O)C=CC=O; CCC
    CC[C@@H](O)/C=C/C=O    		 (2E,4R)-4-HYDROXYNON-2-ENAL
    22614 HNF
    CHEMBL165314
    ZINC000001687565    		 0 C13 H9 N O3 InChI=1S/C13H9NO3/c15-11-
    2-4-13-9(7-11)5-8-6-10(14
    (16)17)1-3-12(8)13/h1-4,6
    -7,15H,5H2;
    VFTOHJFKIJLYKN-UHFFFAOYSA-N    		 Oc1ccc2c(Cc3cc(ccc23)[N+]([O-])=O)c1; c1
    cc-2c(cc1[N+](=O)[O-])Cc3c2ccc(c3)O    		 7-nitro-9H-fluoren-2-ol;
    2-hydroxy-7-nitrofluorene
    22615 HNG
    CHEMBL1235432
    DB03304
    ZINC000003869370    		 0 C7 H9 N5 O InChI=1S/C7H9N5O/c8-1-3-2
    -10-5-4(3)6(13)12-7(9)11-
    5/h2H,1,8H2,(H4,9,10,11,1
    2,13);
    MEYMBLGOKYDGLZ-UHFFFAOYSA-N    		 NCc1c[nH]c2NC(=NC(=O)c12)N; c1c(c2c([nH]
    1)NC(=NC2=O)N)CN; N2=C(Nc1ncc(c1C2=O)CN)
    N    		 2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one;
    PreQ1
    22616 HNH
    ZINC000103545014    		 1 C10 H12 N2 O InChI=1S/C10H12N2O/c1-12-
    6-2-3-9(12)8-4-5-10(13)11
    -7-8/h3-5,7H,2,6H2,1H3,(H
    ,11,13);
    LWGKCPAYDQWMMS-UHFFFAOYSA-N    		 n2cc(C1=CCCN1C)ccc2O; CN1CCC=C1c2ccc(O)n
    c2; CN1CCC=C1c2ccc(nc2)O    		 5-(1-methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;
    6-hydroxy-N-Methyl-myosmine
    22617 HNI 92 C34 H32 N4 Ni O4 InChI=1S/C34H34N4O4.Ni/c1
    -7-21-17(3)25-13-26-19(5)
    23(9-11-33(39)40)31(37-26
    )16-32-24(10-12-34(41)42)
    20(6)28(38-32)15-30-22(8-
    2)18(4)27(36-30)14-29(21)
    35-25;/h7-8,13-16H,1-2,9-
    12H2,3-6H3,(H4,35,36,37,3
    8,39,40,41,42);/q;+2/p-2/
    b25-13-,26-13-,27-14-,28-
    15-,29-14-,30-15-,31-16-,
    32-16-;;
    IJROJBFZULUEEG-RGGAHWMASA-L    		 Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Ni]
    36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=
    C2)C=C)C)C)CCC(=O)O; CC1=C(CCC(O)=O)C2=C
    c3n4[Ni][N]5C(=CC1=N2)C(=C(C=C)C5=CC6=NC
    (=Cc4c(C)c3CCC(O)=O)C(=C6C)C=C)C; CC1=C(
    CCC(O)=O)C2=Cc3n4[Ni][N@]5C(=CC1=N2)C(=C
    (C=C)C5=CC6=NC(=Cc4c(C)c3CCC(O)=O)C(=C6C
    )C=C)C    		 PROTOPORPHYRIN IX CONTAINING NI(II)
    22618 HNJ
    ZINC000005269294    		 1 C17 H17 N3 O2 S InChI=1S/C17H17N3O2S/c21-
    23(22)16-10-4-1-7-13(16)1
    7(19-23)18-14-8-2-3-9-15(
    14)20-11-5-6-12-20/h1-4,7
    -10H,5-6,11-12H2,(H,18,19
    );
    LONXCUOJVJLTIP-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccc3N4CCCC4
    ; C1CN(CC1)c2c(cccc2)NC=4c3c(cccc3)S(=O)
    (=O)N=4; O=[S]1(=O)N=C(Nc2ccccc2N3CCCC3)
    c4ccccc14    		 3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1H-1lambda~6~,2-benzothiazole-1,1-dione;
    (3-Chloro-Phenyl)-acetic acid (S)-1-(2-tert-butoxycarbonylamino-acetyl)-pyrrolidin-2-ylmethyl ester
    22619 HNK
    ZINC000008622520    		 3 C10 H14 N2 O InChI=1S/C10H14N2O/c1-12-
    6-2-3-9(12)8-4-5-10(13)11
    -7-8/h4-5,7,9H,2-3,6H2,1H
    3,(H,11,13)/t9-/m1/s1;
    ATRCOGLZUCICIV-SECBINFHSA-N    		 CN1CCCC1c2ccc(nc2)O; CN1CCC[C@@H]1c2ccc(
    O)nc2; CN1CCC[CH]1c2ccc(O)nc2; C[N@]1CCC
    [C@@H]1c2ccc(nc2)O; n1cc(ccc1O)C2N(C)CCC
    2    		 5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol;
    6-hydroxy-D-nicotine
    22620 HNL
    ZINC000008576195    		 6 C10 H14 N2 O InChI=1S/C10H14N2O/c1-12-
    6-2-3-9(12)8-4-5-10(13)11
    -7-8/h4-5,7,9H,2-3,6H2,1H
    3,(H,11,13)/t9-/m0/s1;
    ATRCOGLZUCICIV-VIFPVBQESA-N    		 CN1CCCC1c2ccc(nc2)O; CN1CCC[CH]1c2ccc(O)
    nc2; CN1CCC[C@H]1c2ccc(O)nc2; C[N@@]1CCC
    [C@H]1c2ccc(nc2)O; n1cc(ccc1O)C2N(C)CCC2    		 5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol;
    6-hydroxy-L-nicotine
    22621 HNM
    ZINC000008576216    		 3 C10 H14 N2 O2 InChI=1S/C10H14N2O2/c1-11
    -6-2-3-9(13)8-4-5-10(14)1
    2-7-8/h4-5,7,11H,2-3,6H2,
    1H3,(H,12,14);
    UMLOUOBDBGOHHR-UHFFFAOYSA-N    		 CNCCCC(=O)c1ccc(O)nc1; CNCCCC(=O)c1ccc(n
    c1)O; O=C(c1cnc(O)cc1)CCCNC    		 1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one
    22622 HNN 8 C34 H36 Mn N4 O4 InChI=1S/C34H38N4O4.Mn/c1
    -7-21-19(5)31-32-20(6)22(
    8-2)28(38-32)14-12-26-18(
    4)24(10-16-30(41)42)34(36
    -26)33-23(9-15-29(39)40)1
    7(3)25(35-33)11-13-27(21)
    37-31;/h11-14H,7-10,15-16
    H2,1-6H3,(H4,35,36,37,38,
    39,40,41,42);/q;+4/p-2/b1
    3-11-,14-12-,25-11-,26-12
    -,27-13-,28-14-,32-31-,34
    -33-;;
    YIZMGGNKFAWJJG-BWTHIWHLSA-L    		 O=C(O)CCC=7C1=C3C(=C(C=2C=Cc6c(c(c5C8=[N
    +]4C(=CC=C(N1[Mn]4([N+]=23)n56)C=7C)C(=C
    8C)CC)C)CC)C)CCC(=O)O; CCc1c(C)c2n3c1C=C
    C4=[N@+]5C(=C6[N@]7C(=CC=C8C(=C(C)C2=[N@
    +]8[Mn@@]357)CC)C(=C6CCC(O)=O)C)C(=C4C)C
    CC(O)=O; CCc1c(c2c3[n+]4c(ccc5c(c(c6n5[M
    n]47n2c1ccc8[n+]7c6C(=C8C)CCC(=O)O)CCC(=
    O)O)C)C(=C3C)CC)C; CCc1c(C)c2n3c1C=CC4=[
    N+]5C(=C6[N]7C(=CC=C8C(=C(C)C2=[N+]8[Mn]
    357)CC)C(=C6CCC(O)=O)C)C(=C4C)CCC(O)=O;
    CCc1c(c2c3[n+]4c(ccc5c(c(c6n5[Mn@@]47n2c
    1ccc8[n+]7c6C(=C8C)CCC(=O)O)CCC(=O)O)C)C
    (=C3C)CC)C    		 PORPHYCENE CONTAINING MN
    22623 HNO 0 C12 H13 Cl2 N3 InChI=1S/C12H13Cl2N3/c1-1
    2(2,3)17-11-6-15-9-4-7(13
    )8(14)5-10(9)16-11/h4-6H,
    1-3H3,(H,16,17);
    QYEPFRWKAAVUOP-UHFFFAOYSA-N    		 CC(C)(C)Nc1cnc2cc(Cl)c(Cl)cc2n1; CC(C)(C
    )Nc1cnc2cc(c(cc2n1)Cl)Cl    		 N-tert-butyl-6,7-bis(chloranyl)quinoxalin-2-amine
    22624 HNP 0 C7 H11 N2 O9 P InChI=1/C7H11N2O9P/c10-3-
    2(1-17-19(14,15)16)18-7(4
    (3)11)5(12)8-6(13)9-7/h2-
    4,10-11H,1H2,(H2,14,15,16
    )(H2,8,9,12,13)/t2-,3-,4-
    ,7+/m1/s1/f/h8-9,14-15H;
    HVXIMXHBUJADCC-CAELUUMSDL    		 O[CH]1[CH](O)[C]2(NC(=O)NC2=O)O[CH]1CO[P
    ](O)(O)=O; C([C@@H]1[C@H]([C@H]([C@]2(O1
    )C(=O)NC(=O)N2)O)O)OP(=O)(O)O; O[C@H]1[C
    @@H](O)[C@]2(NC(=O)NC2=O)O[C@@H]1CO[P](O
    )(O)=O; O=C2NC(=O)NC21OC(C(O)C1O)COP(=O)
    (O)O; C(C1C(C(C2(O1)C(=O)NC(=O)N2)O)O)OP
    (=O)(O)O    		 HYDANTOCIDIN-5'-MONOPHOSPHATE
    22625 HNQ
    CHEMBL1454910
    DB01422
    ZINC000015831592    		 3 C9 H6 N2 O3 InChI=1S/C9H6N2O3/c12-8-4
    -3-7(11(13)14)6-2-1-5-10-
    9(6)8/h1-5,12H;
    RJIWZDNTCBHXAL-UHFFFAOYSA-N    		 c1cc2c(ccc(c2nc1)O)[N+](=O)[O-]; [O-][N+
    ](=O)c1ccc(O)c2ncccc12; Oc1ccc(c2cccnc12
    )[N+]([O-])=O    		 5-nitroquinolin-8-ol;
    NITROXOLINE
    22626 HNR
    ZINC000014140848    		 4 C15 H20 N4 O4 S InChI=1S/C15H20N4O4S/c1-3
    -4-10-19-13(16)12(14(20)1
    7-15(19)21)18(2)24(22,23)
    11-8-6-5-7-9-11/h5-9H,3-4
    ,10,16H2,1-2H3,(H,17,20,2
    1);
    BDLSZMGNNJOQJF-UHFFFAOYSA-N    		 CCCCN1C(=C(C(=O)NC1=O)N(C)S(=O)(=O)c2ccc
    cc2)N; CCCCN1C(=O)NC(=O)C(=C1N)N(C)[S](=
    O)(=O)c2ccccc2; O=S(=O)(c1ccccc1)N(C2=C(
    N)N(C(=O)NC2=O)CCCC)C    		 N-(6-AMINO-1-BUTYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)-N-METHYL-BENZENESULFONAMIDE
    22627 HNS
    CHEMBL4545631    		 1 C13 H11 N O4 InChI=1S/C13H11NO4/c1-7-4
    -2-3-5-8(7)9-6-10(15)12(1
    6)11(14-9)13(17)18/h2-6,1
    6H,1H3,(H,14,15)(H,17,18);
    XRLUBEBGQPTVFH-UHFFFAOYSA-N    		 O=C(O)C=1NC(=CC(C=1O)=O)c2ccccc2C; Cc1cc
    ccc1C2=CC(=O)C(=C(N2)C(O)=O)O; Cc1ccccc1
    C2=CC(=O)C(=C(N2)C(=O)O)O    		 3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid
    22628 HNT
    CHEMBL293700
    DB07906
    ZINC000013797973    		 3 C10 H12 N2 O3 InChI=1S/C10H12N2O3/c13-6
    -9-3-7-1-2-10(12(14)15)4-
    8(7)5-11-9/h1-2,4,9,11,13
    H,3,5-6H2/t9-/m1/s1;
    RNUCRXHRBPLYTA-SECBINFHSA-N    		 OC[CH]1Cc2ccc(cc2CN1)[N+]([O-])=O; OC[C@
    H]1Cc2ccc(cc2CN1)[N+]([O-])=O; c1cc2c(cc
    1[N+](=O)[O-])CNC(C2)CO; [O-][N+](=O)c1c
    cc2c(c1)CNC(C2)CO; c1cc2c(cc1[N+](=O)[O-
    ])CN[C@H](C2)CO    		 [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL;
    3(R)-HYDROXYMETHYL 7-NITRO 1,2,3,4-TETRAHYDROISOQUINOLINE
    22629 HNU 1 C10 H17 N3 O3 InChI=1S/C10H17N3O3/c1-3-
    6-12-10(16)8(13-7(2)14)4-
    5-9(11)15/h3,8H,1,4-6H2,2
    H3,(H2,11,15)(H,12,16)(H,
    13,14)/t8-/m0/s1;
    HRGCJYNJCSFORH-QMMMGPOBSA-N    		 CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC=C; CC(=O
    )NC(CCC(=O)N)C(=O)NCC=C; CC(=O)N[C@@H](C
    CC(=O)N)C(=O)NCC=C; CC(=O)N[CH](CCC(N)=O
    )C(=O)NCC=C    		 (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide
    22630 HNV
    CHEMBL3092409
    ZINC000098209002    		 3 C16 H20 O7 InChI=1S/C16H20O7/c1-21-1
    1-6-4-10(5-7-11)3-2-8-22-
    16-15(20)14(19)13(18)12(9
    -17)23-16/h4-7,12-20H,8-9
    H2,1H3/t12-,13-,14+,15+,1
    6+/m1/s1;
    UYJNIDIDTZJFNU-OWYFMNJBSA-N    		 COc1ccc(cc1)C#CCO[CH]2O[CH](CO)[CH](O)[C
    H](O)[CH]2O; COc1ccc(cc1)C#CCOC2C(C(C(C(
    O2)CO)O)O)O; COc1ccc(cc1)C#CCO[C@@H]2[C@
    H]([C@H]([C@@H]([C@H](O2)CO)O)O)O; COc1c
    cc(cc1)C#CCO[C@H]2O[C@H](CO)[C@@H](O)[C@
    H](O)[C@@H]2O; C(#Cc1ccc(OC)cc1)COC2OC(C
    (O)C(O)C2O)CO    		 3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-D-mannopyranoside;
    3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-D-mannoside;
    3-(4-methoxyphenyl)prop-2-yn-1-yl D-mannoside;
    3-(4-methoxyphenyl)prop-2-yn-1-yl mannoside
    22631 HNW
    CHEMBL3092402
    ZINC000098209003    		 3 C15 H18 O7 InChI=1S/C15H18O7/c16-7-1
    -2-9-3-5-10(6-4-9)21-15-1
    4(20)13(19)12(18)11(8-17)
    22-15/h3-6,11-20H,7-8H2/t
    11-,12-,13+,14+,15+/m1/s1;
    GNTPQQUJBAFHOR-MRLBHPIUSA-N    		 c1cc(ccc1C#CCO)OC2C(C(C(C(O2)CO)O)O)O; O
    CC#Cc1ccc(O[CH]2O[CH](CO)[CH](O)[CH](O)[
    CH]2O)cc1; OCC#Cc1ccc(O[C@H]2O[C@H](CO)[
    C@@H](O)[C@H](O)[C@@H]2O)cc1; O(c1ccc(C#
    CCO)cc1)C2OC(C(O)C(O)C2O)CO; c1cc(ccc1C#
    CCO)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)
    CO)O)O)O    		 4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-D-mannopyranoside;
    D-MANNOSE ALPHA1O P-HYDROXYPROPYNYL-PHENYL;
    4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-D-mannoside;
    4-(3-hydroxyprop-1-yn-1-yl)phenyl D-mannoside;
    4-(3-hydroxyprop-1-yn-1-yl)phenyl mannoside
    22632 HNX 1 C22 H21 N O3 InChI=1S/C22H21NO3/c23-22
    (21(24)25)11-10-15-8-9-19
    (12-18(15)13-22)26-14-17-
    6-3-5-16-4-1-2-7-20(16)17
    /h1-9,12H,10-11,13-14,23H
    2,(H,24,25)/t22-/m0/s1;
    HRZHVSYWPDDNHF-QFIPXVFZSA-N    		 c1ccc2c(c1)cccc2COc3ccc4c(c3)CC(CC4)(C(=
    O)O)N; N[C@]1(CCc2ccc(OCc3cccc4ccccc34)c
    c2C1)C(O)=O; c1ccc2c(c1)cccc2COc3ccc4c(c
    3)C[C@@](CC4)(C(=O)O)N; N[C]1(CCc2ccc(OC
    c3cccc4ccccc34)cc2C1)C(O)=O    		 (2~{S})-2-azanyl-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid
    22633 HNY
    CHEMBL4539596    		 1 C14 H13 N O4 InChI=1S/C14H13NO4/c1-2-8
    -5-3-4-6-9(8)10-7-11(16)1
    3(17)12(15-10)14(18)19/h3
    -7,17H,2H2,1H3,(H,15,16)(
    H,18,19);
    ZVOTZBNDSAQIRQ-UHFFFAOYSA-N    		 CCc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O; CCc
    1ccccc1C2=CC(=O)C(=C(N2)C(O)=O)O; O=C(O)
    C=1NC(=CC(C=1O)=O)c2c(cccc2)CC    		 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
    22634 HNZ 1 C25 H24 F3 N9 O InChI=1S/C25H24F3N9O/c1-1
    6-5-6-17(21(38)31-19-4-2-
    3-18(14-19)25(26,27)28)13
    -20(16)32-22-33-23(36-10-
    7-29-8-11-36)35-24(34-22)
    37-12-9-30-15-37/h2-6,9,1
    2-15,29H,7-8,10-11H2,1H3,
    (H,31,38)(H,32,33,34,35);
    NMVJFOBGLWAPPI-UHFFFAOYSA-N    		 Cc1ccc(cc1Nc2nc(nc(n2)N3CCNCC3)n4ccnc4)C
    (=O)Nc5cccc(c5)C(F)(F)F; Cc1ccc(cc1Nc2nc
    (nc(n2)n3ccnc3)N4CCNCC4)C(=O)Nc5cccc(c5)
    C(F)(F)F    		 3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
    22635 HO 0 Ho InChI=1S/Ho;
    KJZYNXUDTRRSPN-UHFFFAOYSA-N    		 [Ho] HOLMIUM ATOM
    22636 HO0 1 C24 H23 N O3 InChI=1S/C24H23NO3/c25-24
    (23(26)27)13-12-17-10-11-
    21(14-20(17)15-24)28-16-1
    9-8-4-5-9-22(19)18-6-2-1-
    3-7-18/h1-11,14H,12-13,15
    -16,25H2,(H,26,27)/t24-/m
    0/s1;
    WYFYXQDJHCIQGH-DEOSSOPVSA-N    		 N[C@]1(CCc2ccc(OCc3ccccc3c4ccccc4)cc2C1)
    C(O)=O; N[C]1(CCc2ccc(OCc3ccccc3c4ccccc4
    )cc2C1)C(O)=O; c1ccc(cc1)c2ccccc2COc3ccc
    4c(c3)C[C@@](CC4)(C(=O)O)N; c1ccc(cc1)c2
    ccccc2COc3ccc4c(c3)CC(CC4)(C(=O)O)N    		 (2~{S})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid
    22637 HO1
    CHEMBL4563716    		 2 C13 H9 N5 O4 InChI=1S/C13H9N5O4/c19-9-
    5-8(14-10(11(9)20)13(21)2
    2)6-2-1-3-7(4-6)12-15-17-
    18-16-12/h1-5,20H,(H,14,1
    9)(H,21,22)(H,15,16,17,18
    );
    KPXVENWWYNXYEC-UHFFFAOYSA-N    		 c1cc(cc(c1)C2=CC(=O)C(=C(N2)C(=O)O)O)c3[
    nH]nnn3; OC(=O)C=1NC(=CC(C=1O)=O)c2cccc(
    c2)c3nnnn3; OC(=O)C1=C(O)C(=O)C=C(N1)c2c
    ccc(c2)c3[nH]nnn3    		 3-hydroxy-4-oxo-6-[3-(1H-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid
    22638 HO2
    ZINC000003870588    		 1 C18 H32 O3 InChI=1S/C18H32O3/c1-2-3-
    11-14-17(19)15-12-9-7-5-4
    -6-8-10-13-16-18(20)21/h7
    ,9,12,15,17,19H,2-6,8,10-
    11,13-14,16H2,1H3,(H,20,2
    1)/b9-7+,15-12+/t17-/m0/s
    1;
    HNICUWMFWZBIFP-WHLLTAFYSA-N    		 CCCCC[C@@H](\C=C\C=C\CCCCCCCC(=O)O)O; CC
    CCC[CH](O)C=CC=CCCCCCCCC(O)=O; O=C(O)CCC
    CCCC/C=C/C=C/C(O)CCCCC; CCCCC[C@H](O)/C=
    C/C=C/CCCCCCCC(O)=O; CCCCCC(C=CC=CCCCCCC
    CC(=O)O)O    		 (9E,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
    22639 HO3 1 Ho InChI=1S/Ho/q+3;
    SCKNFLZJSOHWIV-UHFFFAOYSA-N    		 [Ho+3] HOLMIUM (III) ATOM
    22640 HO4
    CHEMBL1814776
    ZINC000072106221    		 4 C13 H14 N4 O4 InChI=1S/C13H14N4O4/c1-2-
    6-3-17(12-8(6)11(14)15-5-
    16-12)13-10(20)9(19)7(4-1
    8)21-13/h1,3,5,7,9-10,13,
    18-20H,4H2,(H2,14,15,16)/
    t7-,9-,10-,13-/m1/s1;
    ANCWCJFYCNNXDR-QYVSTXNMSA-N    		 Nc1ncnc2n(cc(C#C)c12)[C@@H]3O[C@H](CO)[C
    @@H](O)[C@H]3O; C#Cc2c1c(ncnc1n(c2)C3OC(
    C(O)C3O)CO)N; C#Cc1cn(c2c1c(ncn2)N)C3C(C
    (C(O3)CO)O)O; Nc1ncnc2n(cc(C#C)c12)[CH]3
    O[CH](CO)[CH](O)[CH]3O; C#Cc1cn(c2c1c(nc
    n2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O    		 5-ethynyl-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
    22641 HO5 1 C25 H23 F3 N8 O2 InChI=1S/C25H23F3N8O2/c1-
    15-5-6-16(21(38)30-18-4-2
    -3-17(12-18)25(26,27)28)1
    1-20(15)31-22-32-23(35-9-
    7-19(37)13-35)34-24(33-22
    )36-10-8-29-14-36/h2-6,8,
    10-12,14,19,37H,7,9,13H2,
    1H3,(H,30,38)(H,31,32,33,
    34)/t19-/m0/s1;
    IOGRLXUUAIVKHX-IBGZPJMESA-N    		 Cc1ccc(cc1Nc2nc(nc(n2)N3CC[C@@H](C3)O)n4
    ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F; Cc1ccc(c
    c1Nc2nc(nc(n2)n3ccnc3)N4CC[C@H](O)C4)C(=
    O)Nc5cccc(c5)C(F)(F)F; Cc1ccc(cc1Nc2nc(n
    c(n2)n3ccnc3)N4CC[CH](O)C4)C(=O)Nc5cccc(
    c5)C(F)(F)F; Cc1ccc(cc1Nc2nc(nc(n2)N3CCC
    (C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F    		 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
    22642 HO6
    ZINC000095921151    		 3 C10 H8 N2 O2 S2 InChI=1S/C10H8N2O2S2/c1-6
    -2-4-7(5-3-6)15-10-8(9(13
    )14)11-12-16-10/h2-5H,1H3
    ,(H,13,14);
    PNOGJHWZHLJICV-UHFFFAOYSA-N    		 Cc1ccc(cc1)Sc2c(nns2)C(=O)O; Cc1ccc(Sc2s
    nnc2C(O)=O)cc1; O=C(O)c2nnsc2Sc1ccc(cc1)
    C    		 5-[(4-methylphenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid;
    4-carboxy-5-[(4-chlorophenyl)sulfanyl]-1, 2, 3-thiadiazole
    22643 HO7
    CHEMBL1527442
    ZINC000000056495    		 1 C11 H11 Br N2 S InChI=1S/C11H11BrN2S/c12-
    9-3-1-8(2-4-9)10-7-14-5-6
    -15-11(14)13-10/h1-4,10H,
    5-7H2/t10-/m1/s1;
    HTHGAIADRJRJOY-SNVBAGLBSA-N    		 c1cc(ccc1[C@H]2CN3CCSC3=N2)Br; Brc1ccc(c
    c1)[CH]2CN3CCSC3=N2; c1cc(ccc1C2CN3CCSC3
    =N2)Br; Brc1ccc(cc1)[C@H]2CN3CCSC3=N2; c
    3c(C2CN1CCSC1=N2)ccc(c3)Br    		 (6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
    22644 HO8 1 C25 H23 F3 N8 O2 InChI=1S/C25H23F3N8O2/c1-
    16-5-6-17(21(37)30-19-4-2
    -3-18(14-19)25(26,27)28)1
    3-20(16)31-22-32-23(35-9-
    11-38-12-10-35)34-24(33-2
    2)36-8-7-29-15-36/h2-8,13
    -15H,9-12H2,1H3,(H,30,37)
    (H,31,32,33,34);
    AAEATOJNNUJMHY-UHFFFAOYSA-N    		 Cc1ccc(cc1Nc2nc(nc(n2)N3CCOCC3)n4ccnc4)C
    (=O)Nc5cccc(c5)C(F)(F)F; Cc1ccc(cc1Nc2nc
    (nc(n2)n3ccnc3)N4CCOCC4)C(=O)Nc5cccc(c5)
    C(F)(F)F    		 3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
    22645 HO9 1 C25 H22 N2 O4 InChI=1S/C25H22N2O4/c26-2
    5(24(28)29)12-11-16-9-10-
    19(13-18(16)14-25)30-15-1
    7-5-1-2-6-20(17)23-27-21-
    7-3-4-8-22(21)31-23/h1-10
    ,13H,11-12,14-15,26H2,(H,
    28,29)/t25-/m0/s1;
    FHPWRLVLBMWONR-VWLOTQADSA-N    		 c1ccc(c(c1)COc2ccc3c(c2)C[C@@](CC3)(C(=O
    )O)N)c4nc5ccccc5o4; c1ccc(c(c1)COc2ccc3c
    (c2)CC(CC3)(C(=O)O)N)c4nc5ccccc5o4; N[C]
    1(CCc2ccc(OCc3ccccc3c4oc5ccccc5n4)cc2C1)
    C(O)=O; N[C@]1(CCc2ccc(OCc3ccccc3c4oc5cc
    ccc5n4)cc2C1)C(O)=O    		 (2~{S})-2-azanyl-7-[[2-(1,3-benzoxazol-2-yl)phenyl]methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid
    22646 HOA
    CHEMBL1191361    		 37 H3 N O InChI=1S/H3NO/c1-2/h2H,1H
    2;
    AVXURJPOCDRRFD-UHFFFAOYSA-N    		 NO; ON HYDROXYAMINE
    22647 HOB 0 C36 H62 N O9 P InChI=1S/C36H62NO9P/c1-23
    (2)8-6-9-24(3)28-12-13-29
    -27-11-10-25-20-26(14-16-
    35(25,4)30(27)15-17-36(28
    ,29)5)45-34(39)37-18-7-19
    -43-33-21-31(38)32(46-33)
    22-44-47(40,41)42/h10,23-
    24,26-33,38H,6-9,11-22H2,
    1-5H3,(H,37,39)(H2,40,41,
    42)/t24-,26+,27+,28-,29+,
    30+,31+,32-,33-,35+,36-/m
    1/s1;
    DLOGQQLENLVKDG-JWNMYLGSSA-N    		 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC
    =C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=
    O)NCCCO[C@H]5C[C@H](O)[C@@H](CO[P](O)(O)
    =O)O5; CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C
    3(CCC(C4)OC(=O)NCCCOC5CC(C(O5)COP(=O)(O)
    O)O)C)C; CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]
    3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O
    )NCCCO[CH]5C[CH](O)[CH](CO[P](O)(O)=O)O5
    ; O=P(O)(O)OCC5OC(OCCCNC(=O)OC3CC2=CCC1C
    4CCC(C(C)CCCC(C)C)C4(C)CCC1C2(C)CC3)CC5O    		 (3alpha,8alpha,14beta,17alpha)-cholest-5-en-3-yl {3-[(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)oxy]propyl}carbamate
    22648 HOC
    DB07907
    ZINC000001731997    		 1 C8 H16 O3 InChI=1S/C8H16O3/c1-2-3-4
    -5-6-7(9)8(10)11/h7,9H,2-
    6H2,1H3,(H,10,11)/t7-/m0/
    s1;
    JKRDADVRIYVCCY-ZETCQYMHSA-N    		 CCCCCC[C@@H](C(=O)O)O; CCCCCC[CH](O)C(O)
    =O; CCCCCCC(C(=O)O)O; O=C(O)C(O)CCCCCC;
    CCCCCC[C@H](O)C(O)=O    		 (2S)-2-HYDROXYOCTANOIC ACID
    22649 HOE 0 C25 H25 N6 O InChI=1S/C25H24N6O/c1-30-
    10-12-31(13-11-30)18-5-9-
    21-23(15-18)29-25(27-21)1
    7-4-8-20-22(14-17)28-24(2
    6-20)16-2-6-19(32)7-3-16/
    h2-9,14-15,32H,10-13H2,1H
    3,(H,26,28)(H,27,29)/p+1;
    INAAIJLSXJJHOZ-UHFFFAOYSA-O    		 C[NH+]1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5n
    c([nH]c5c4)c6ccc(O)cc6; C[NH+]1CCN(CC1)c
    2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c
    6ccc(cc6)O; Oc1ccc(cc1)c3nc2ccc(cc2n3)c6
    nc4c(cc(cc4)N5CC[NH+](CC5)C)n6    		 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE;
    HOECHST 33258
    22650 HOF 4 C19 H24 N2 O5 InChI=1S/C19H24N2O5/c1-21
    (2)17(22)15-6-4-5-7-16(15
    )20-19(24)26-12-13-8-10-1
    4(11-9-13)18(23)25-3/h5,7
    -11,15-16H,4,6,12H2,1-3H3
    ,(H,20,24)/t15-,16-/m0/s1;
    VSPPPQJKRCRPEW-HOTGVXAUSA-N    		 CN(C)C(=O)[C@H]1CCC=C[C@@H]1NC(=O)OCc2cc
    c(cc2)C(=O)OC; COC(=O)c1ccc(COC(=O)N[C@H
    ]2C=CCC[C@@H]2C(=O)N(C)C)cc1; CN(C)C(=O)
    C1CCC=CC1NC(=O)OCc2ccc(cc2)C(=O)OC; COC(
    =O)c1ccc(COC(=O)N[CH]2C=CCC[CH]2C(=O)N(C
    )C)cc1    		 methyl 4-[[(1S,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoate
    22651 HOG
    CHEMBL4440338    		 1 C13 H9 N O6 InChI=1S/C13H9NO6/c15-9-5
    -8(14-10(11(9)16)13(19)20
    )6-2-1-3-7(4-6)12(17)18/h
    1-5,16H,(H,14,15)(H,17,18
    )(H,19,20);
    CHARUKBQSGEOIG-UHFFFAOYSA-N    		 c1cc(cc(c1)C(=O)O)C2=CC(=O)C(=C(N2)C(=O)
    O)O; OC(=O)c1cccc(c1)C2=CC(=O)C(=C(N2)C(
    O)=O)O; OC(c1cccc(c1)C=2NC(C(O)=O)=C(O)C
    (C=2)=O)=O    		 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
    22652 HOH
    CHEMBL1098659
    DB09145    		 0 H2 O InChI=1S/H2O/h1H2;
    XLYOFNOQVPJJNP-UHFFFAOYSA-N    		 O WATER
    22653 HOI 2 C31 H29 N3 O5 InChI=1S/C31H29N3O5/c1-20
    (35)32-24-12-14-25(15-13-
    24)39-19-23-17-22(11-16-2
    8(23)38-2)30-33-26-9-6-10
    -27(36)29(26)31(37)34(30)
    18-21-7-4-3-5-8-21/h3-17,
    30,33,36H,18-19H2,1-2H3,(
    H,32,35)/t30-/m0/s1;
    JRVXFGNCHKHBPA-PMERELPUSA-N    		 CC(=O)Nc1ccc(cc1)OCc2cc(ccc2OC)C3Nc4cccc
    (c4C(=O)N3Cc5ccccc5)O; COc1ccc(cc1COc2cc
    c(NC(C)=O)cc2)[CH]3Nc4cccc(O)c4C(=O)N3Cc
    5ccccc5; COc1ccc(cc1COc2ccc(NC(C)=O)cc2)
    [C@H]3Nc4cccc(O)c4C(=O)N3Cc5ccccc5; CC(=
    O)Nc1ccc(cc1)OCc2cc(ccc2OC)[C@H]3Nc4cccc
    (c4C(=O)N3Cc5ccccc5)O    		 ~{N}-[4-[[2-methoxy-5-[(2~{S})-5-oxidanyl-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]phenyl]methoxy]phenyl]ethanamide
    22654 HOJ
    CHEMBL4562603    		 2 C26 H27 N3 O5 InChI=1S/C26H27N3O5/c1-17
    (30)29-15-14-22-21(12-13-
    24(28-22)33-3)25(29)26(31
    )27-19-8-10-20(11-9-19)34
    -16-18-6-4-5-7-23(18)32-2
    /h4-13,25H,14-16H2,1-3H3,
    (H,27,31)/t25-/m1/s1;
    RNCVXSNHCXEILI-RUZDIDTESA-N    		 n3c(ccc4C(C(Nc1ccc(cc1)OCc2ccccc2OC)=O)N
    (CCc34)C(C)=O)OC; CC(=O)N1CCc2c(ccc(n2)O
    C)[C@@H]1C(=O)Nc3ccc(cc3)OCc4ccccc4OC; C
    Oc1ccc2[CH](N(CCc2n1)C(C)=O)C(=O)Nc3ccc(
    OCc4ccccc4OC)cc3; CC(=O)N1CCc2c(ccc(n2)O
    C)C1C(=O)Nc3ccc(cc3)OCc4ccccc4OC; COc1cc
    c2[C@@H](N(CCc2n1)C(C)=O)C(=O)Nc3ccc(OCc
    4ccccc4OC)cc3    		 (5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide
    22655 HOK 1 C26 H25 F3 N8 O2 InChI=1S/C26H25F3N8O2/c1-
    16-7-8-17(22(39)31-19-5-2
    -4-18(13-19)26(27,28)29)1
    2-21(16)32-23-33-24(36-10
    -3-6-20(38)14-36)35-25(34
    -23)37-11-9-30-15-37/h2,4
    -5,7-9,11-13,15,20,38H,3,
    6,10,14H2,1H3,(H,31,39)(H
    ,32,33,34,35)/t20-/m0/s1;
    JHUYRHDBWXUNON-FQEVSTJZSA-N    		 Cc1ccc(cc1Nc2nc(nc(n2)N3CCCC(C3)O)n4ccnc
    4)C(=O)Nc5cccc(c5)C(F)(F)F; Cc1ccc(cc1Nc
    2nc(nc(n2)n3ccnc3)N4CCC[C@H](O)C4)C(=O)N
    c5cccc(c5)C(F)(F)F; Cc1ccc(cc1Nc2nc(nc(n
    2)N3CCC[C@@H](C3)O)n4ccnc4)C(=O)Nc5cccc(
    c5)C(F)(F)F; Cc1ccc(cc1Nc2nc(nc(n2)n3ccn
    c3)N4CCC[CH](O)C4)C(=O)Nc5cccc(c5)C(F)(F
    )F    		 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
    22656 HOL
    ZINC000098209008    		 0 C36 H62 N O9 P InChI=1S/C36H62NO9P/c1-23
    (2)8-6-9-24(3)28-12-13-29
    -27-11-10-25-20-26(14-16-
    35(25,4)30(27)15-17-36(28
    ,29)5)45-34(39)37-18-7-19
    -43-33-21-31(38)32(46-33)
    22-44-47(40,41)42/h10,23-
    24,26-33,38H,6-9,11-22H2,
    1-5H3,(H,37,39)(H2,40,41,
    42)/t24-,26+,27+,28-,29+,
    30+,31+,32-,33+,35+,36-/m
    1/s1;
    DLOGQQLENLVKDG-ROZGVMSWSA-N    		 CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(C
    C[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(
    =O)NCCCO[C@@H]5C[C@@H]([C@H](O5)COP(=O)(
    O)O)O)C)C; CC(C)CCC[C@@H](C)[C@H]1CC[C@H
    ]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[
    C@]12C)OC(=O)NCCCO[C@@H]5C[C@H](O)[C@@H]
    (CO[P](O)(O)=O)O5; CC(C)CCCC(C)C1CCC2C1(
    CCC3C2CC=C4C3(CCC(C4)OC(=O)NCCCOC5CC(C(O
    5)COP(=O)(O)O)O)C)C; CC(C)CCC[CH](C)[CH]
    1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC
    [C]12C)OC(=O)NCCCO[CH]5C[CH](O)[CH](CO[P
    ](O)(O)=O)O5; O=P(O)(O)OCC5OC(OCCCNC(=O)
    OC3CC2=CCC1C4CCC(C(C)CCCC(C)C)C4(C)CCC1C
    2(C)CC3)CC5O    		 ALPHA-CHOLEST-5-EN-3-YL 3-[(2-DEOXY-5-O-PHOSPHONO-ALPHA-D-GLYCERO-PENTOFURANOSYL)OXY]PROPYLCARBAMATE
    22657 HOM
    CHEMBL251935
    DB07908
    ZINC000000332199    		 0 C12 H12 O4 InChI=1S/C12H12O4/c1-7-9-
    3-2-8(14)6-11(9)16-12(15)
    10(7)4-5-13/h2-3,6,13-14H
    ,4-5H2,1H3;
    VCGFYFKJZGIZMX-UHFFFAOYSA-N    		 CC1=C(C(=O)Oc2c1ccc(c2)O)CCO; CC1=C(CCO)
    C(=O)Oc2cc(O)ccc12; O=C2Oc1cc(O)ccc1C(=C
    2CCO)C    		 7-HYDROXY-4-METHYL-3-(2-HYDROXY-ETHYL)COUMARIN
    22658 HOO 0 C6 H7 N3 O4 InChI=1S/C6H7N3O4/c7-2(5(
    11)12)1-3-4(10)9-6(13)8-3
    /h2H,1,7H2,(H,11,12)(H,9,
    10,13)/t2-/m0/s1;
    HQYOJZBTFAOZED-REOHCLBHSA-N    		 C(C1=NC(=O)NC1=O)C(C(=O)O)N; N[CH](CC1=N
    C(=O)NC1=O)C(O)=O; C(C1=NC(=O)NC1=O)[C@@
    H](C(=O)O)N; N[C@@H](CC1=NC(=O)NC1=O)C(O
    )=O    		 (2~{S})-2-azanyl-3-[2,5-bis(oxidanylidene)imidazol-4-yl]propanoic acid
    22659 HOP
    DB07909
    ZINC000006582201    		 6 C23 H27 N O4 InChI=1S/C23H27NO4/c25-21
    -15-19(16-5-2-1-3-6-16)12
    -13-20(21)17-8-10-18(11-9
    -17)23(28)24-14-4-7-22(26
    )27/h1-3,5-6,8-11,19-21,2
    5H,4,7,12-15H2,(H,24,28)(
    H,26,27)/t19-,20+,21-/m0/
    s1;
    OBWILOKKNDYPLX-HBMCJLEFSA-N    		 O=C(O)CCCNC(=O)c1ccc(cc1)C3CCC(c2ccccc2)
    CC3O; c1ccc(cc1)[C@H]2CC[C@@H]([C@H](C2)
    O)c3ccc(cc3)C(=O)NCCCC(=O)O; O[C@H]1C[C@
    H](CC[C@@H]1c2ccc(cc2)C(=O)NCCCC(O)=O)c3
    ccccc3; c1ccc(cc1)C2CCC(C(C2)O)c3ccc(cc3
    )C(=O)NCCCC(=O)O; O[CH]1C[CH](CC[CH]1c2c
    cc(cc2)C(=O)NCCCC(O)=O)c3ccccc3    		 (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL;
    OXY-COPE-HAPTEN
    22660 HOQ
    ZINC000005963856    		 2 C11 H19 N O5 S InChI=1S/C11H19NO5S/c1-10
    (2,17)5(8(13)14)7-12-6(9(
    15)16)11(3,4)18-7/h5-7,12
    ,17H,1-4H3,(H,13,14)(H,15
    ,16)/t5-,6-,7+/m0/s1;
    MAATUKZAHQWKEG-LYFYHCNISA-N    		 O=C(O)C(C(O)(C)C)C1SC(C(C(=O)O)N1)(C)C;
    CC(C)(O)[C@@H]([C@@H]1N[C@@H](C(O)=O)C(C
    )(C)S1)C(O)=O; CC(C)(O)[CH]([CH]1N[CH](C
    (O)=O)C(C)(C)S1)C(O)=O; CC1([C@@H](N[C@H
    ](S1)[C@@H](C(=O)O)C(C)(C)O)C(=O)O)C; CC
    1(C(NC(S1)C(C(=O)O)C(C)(C)O)C(=O)O)C    		 (1R)-2-(1-CARBOXY-2-HYDROXY-2-METHYL-PROPYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID
    22661 HOR
    CHEMBL4129809
    ZINC000072317946    		 4 C21 H22 Cl N3 O InChI=1S/C21H22ClN3O/c22-
    18-10-14(12-23)7-8-20(18)
    26-21-17-6-2-1-4-15(17)11
    -19(21)25-9-3-5-16(24)13-
    25/h1-2,4,6-8,10,16,19,21
    H,3,5,9,11,13,24H2/t16-,1
    9-,21-/m1/s1;
    RLKRLNQEXBPQGQ-OZOXKJRCSA-N    		 c1ccc2c(c1)CC(C2Oc3ccc(cc3Cl)C#N)N4CCCC(
    C4)N; N[CH]1CCCN(C1)[CH]2Cc3ccccc3[CH]2O
    c4ccc(cc4Cl)C#N; N[C@@H]1CCCN(C1)[C@@H]2
    Cc3ccccc3[C@H]2Oc4ccc(cc4Cl)C#N; c1ccc2c
    (c1)C[C@H]([C@@H]2Oc3ccc(cc3Cl)C#N)N4CCC
    [C@H](C4)N    		 4-[[(1R,2R)-2-[(3R)-3-azanylpiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile;
    SAR7334
    22662 HOS
    CHEMBL446991    		 6 C36 H45 Cl N6 O12 InChI=1S/C36H45ClN6O12/c1
    -8-17(5)25(32(50)39-20(35
    (53)54)15-23(44)45)41-30(
    48)21-11-10-12-43(21)34(5
    2)29-36(6,9-2)55-22-14-18
    (13-19(37)28(22)47)27(46)
    26(38-7)33(51)40-24(16(3)
    4)31(49)42-29/h10-11,13-1
    5,21,24,26-27,29,38,46-47
    H,3,8-9,12H2,1-2,4-7H3,(H
    ,39,50)(H,40,51)(H,41,48)
    (H,42,49)(H,44,45)(H,53,5
    4)/b20-15+,25-17+/t21-,24
    -,26-,27-,29+,36+/m0/s1;
    FAFRRYBYQKPKSY-AJSRVUJESA-N    		 O=C(O)\C=C(/C(=O)O)NC(=O)/C(=C(/C)CC)NC(
    =O)C3C=CCN3C(=O)C1NC(=O)C(NC(=O)C(NC)C(O
    )c2cc(OC1(C)CC)c(O)c(Cl)c2)\C(=C)C; CCC(
    =C(C(=O)NC(=CC(=O)O)C(=O)O)NC(=O)C1C=CCN
    1C(=O)C2C(Oc3cc(cc(c3O)Cl)C(C(C(=O)NC(C(
    =O)N2)C(=C)C)NC)O)(C)CC)C; CCC(C)=C(NC(=
    O)[CH]1C=CCN1C(=O)[CH]2NC(=O)[CH](NC(=O)
    [CH](NC)[CH](O)c3cc(Cl)c(O)c(O[C]2(C)CC)
    c3)C(C)=C)C(=O)NC(=CC(O)=O)C(O)=O; CC/C(
    =C(\C(=O)N/C(=C/C(=O)O)/C(=O)O)/NC(=O)[C
    @@H]1C=CCN1C(=O)[C@@H]2[C@@](Oc3cc(cc(c3
    O)Cl)[C@@H]([C@@H](C(=O)N[C@H](C(=O)N2)C
    (=C)C)NC)O)(C)CC)/C; CCC(/C)=C(/NC(=O)[C
    @@H]1C=CCN1C(=O)[C@H]2NC(=O)[C@@H](NC(=O
    )[C@@H](NC)[C@@H](O)c3cc(Cl)c(O)c(O[C@]2
    (C)CC)c3)C(C)=C)C(=O)N\C(=C\C(O)=O)C(O)=
    O    		 Phomopsin A
    22663 HOT 1 C26 H25 F3 N8 O2 InChI=1S/C26H25F3N8O2/c1-
    16-5-6-17(22(39)31-19-4-2
    -3-18(14-19)26(27,28)29)1
    3-21(16)32-23-33-24(36-10
    -7-20(38)8-11-36)35-25(34
    -23)37-12-9-30-15-37/h2-6
    ,9,12-15,20,38H,7-8,10-11
    H2,1H3,(H,31,39)(H,32,33,
    34,35);
    ZHVJHWWEVILTJQ-UHFFFAOYSA-N    		 Cc1ccc(cc1Nc2nc(nc(n2)N3CCC(CC3)O)n4ccnc
    4)C(=O)Nc5cccc(c5)C(F)(F)F; Cc1ccc(cc1Nc
    2nc(nc(n2)n3ccnc3)N4CCC(O)CC4)C(=O)Nc5cc
    cc(c5)C(F)(F)F    		 3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
    22664 HOU
    CHEMBL5072692    		 2 C24 H24 N4 O2 InChI=1S/C24H24N4O2/c1-17
    -21(19-8-3-2-4-9-19)11-6-
    12-22(17)23-27-28-24(30-2
    3)26-20-10-5-7-18(15-20)1
    6-25-13-14-29/h2-12,15,25
    ,29H,13-14,16H2,1H3,(H,26
    ,28);
    YBHXMLDVPTWSAS-UHFFFAOYSA-N    		 Cc1c(cccc1c2nnc(o2)Nc3cccc(c3)CNCCO)c4cc
    ccc4; Cc1c(cccc1c2oc(Nc3cccc(CNCCO)c3)nn
    2)c4ccccc4    		 2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol
    22665 HOV
    ZINC000584905770    		 1 C32 H43 N5 O7 InChI=1S/C32H43N5O7/c1-5-
    43-26(38)12-11-23(18-22-1
    3-15-33-29(22)39)34-31(41
    )28-24(21-9-7-6-8-10-21)1
    4-16-37(28)32(42)27(19(2)
    3)35-30(40)25-17-20(4)44-
    36-25/h6-10,17,19,22-24,2
    7-28H,5,11-16,18H2,1-4H3,
    (H,33,39)(H,34,41)(H,35,4
    0)/t22-,23+,24+,27-,28-/m
    0/s1;
    CVLPPZUDRJEOCI-RTOJZCGHSA-N    		 CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C
    @@H]2[C@H](CCN2C(=O)[C@H](C(C)C)NC(=O)c3
    cc(on3)C)c4ccccc4; CCOC(=O)CC[CH](C[CH]1
    CCNC1=O)NC(=O)[CH]2[CH](CCN2C(=O)[CH](NC
    (=O)c3cc(C)on3)C(C)C)c4ccccc4; CCOC(=O)C
    C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@H
    ](CCN2C(=O)[C@@H](NC(=O)c3cc(C)on3)C(C)C
    )c4ccccc4; CCOC(=O)CCC(NC(=O)C1N(CCC1c2c
    cccc2)C(=O)C(NC(=O)c3noc(c3)C)C(C)C)CC4C
    CNC4=O; CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C2C
    (CCN2C(=O)C(C(C)C)NC(=O)c3cc(on3)C)c4ccc
    cc4    		 ethyl (4R)-4-[[(2S,3R)-1-[(2S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
    22666 HOW
    ZINC000002168333    		 2 C3 H4 N2 O InChI=1S/C3H4N2O/c4-3-1-2
    -6-5-3/h1-2H,(H2,4,5);
    RHFWLPWDOYJEAL-UHFFFAOYSA-N    		 c1conc1N; Nc1ccon1 1,2-oxazol-3-amine
    22667 HOX
    CHEMBL231389
    ZINC000000968044    		 0 C9 H12 N2 O2 InChI=1S/C9H12N2O2/c10-7-
    3-1-6(2-4-7)5-8(11)9(12)1
    3/h1-4,8H,5,10-11H2,(H,12
    ,13)/t8-/m0/s1;
    CMUHFUGDYMFHEI-QMMMGPOBSA-N    		 N[C@@H](Cc1ccc(N)cc1)C(O)=O; N[CH](Cc1cc
    c(N)cc1)C(O)=O; O=C(O)C(N)Cc1ccc(N)cc1;
    c1cc(ccc1C[C@@H](C(=O)O)N)N; c1cc(ccc1CC
    (C(=O)O)N)N    		 4-amino-L-phenylalanine
    22668 HOZ
    ZINC000038792051    		 6 C5 H12 N2 O2 InChI=1S/C5H12N2O2/c6-3-4
    (7)1-2-5(8)9/h4H,1-3,6-7H
    2,(H,8,9)/t4-/m0/s1;
    PQGAAJQIFBEYSA-BYPYZUCNSA-N    		 C(CC(=O)O)[C@@H](CN)N; C(CC(=O)O)C(CN)N;
    NC[CH](N)CCC(O)=O; NC[C@@H](N)CCC(O)=O;
    O=C(O)CCC(N)CN    		 (4S)-4,5-DIAMINOPENTANOIC ACID
    22669 HP0
    ZINC000058660674    		 0 C20 H30 N2 O3 InChI=1S/C20H30N2O3/c21-1
    7(10-14-6-2-1-3-7-14)19(2
    3)13-22-12-16-9-5-4-8-15(
    16)11-18(22)20(24)25/h1-3
    ,6-7,15-19,23H,4-5,8-13,2
    1H2,(H,24,25)/t15-,16+,17
    -,18-,19+/m0/s1;
    HQTYAKTTZLHJLL-XCDZQEORSA-N    		 N[CH](Cc1ccccc1)[CH](O)CN2C[CH]3CCCC[CH]
    3C[CH]2C(O)=O; O=C(O)C1N(CC2CCCCC2C1)CC(
    O)C(N)Cc3ccccc3; c1ccc(cc1)C[C@@H]([C@@H
    ](C[N@@]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)O)
    O)N; N[C@@H](Cc1ccccc1)[C@H](O)CN2C[C@H]
    3CCCC[C@H]3C[C@H]2C(O)=O; c1ccc(cc1)CC(C
    (CN2CC3CCCCC3CC2C(=O)O)O)N    		 (3S,4aS,8aS)-2-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboxylic acid
    22670 HP1 0 C31 H41 N11 O6 InChI=1S/C31H41N11O6/c1-3
    8(2)12-7-9-32-24(43)8-10-
    34-28(45)22-14-19(16-40(2
    2)4)35-29(46)23-15-20(17-
    41(23)5)36-30(47)25-26(44
    )21(18-42(25)6)37-31(48)2
    7-33-11-13-39(27)3/h11,13
    -18,44H,7-10,12H2,1-6H3,(
    H,32,43)(H,34,45)(H,35,46
    )(H,36,47)(H,37,48);
    LNQWOHIRWNQTSI-UHFFFAOYSA-N    		 Cn1ccnc1C(=O)Nc2cn(c(c2O)C(=O)Nc3cc(n(c3
    )C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(
    C)C)C; CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)
    c2cc(NC(=O)c3n(C)cc(NC(=O)c4nccn4C)c3O)c
    n2C)cn1C    		 ~{N}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-4-oxidanyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide;
    IMIDAZOLE-HYDROXYPYRROLE-PYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
    22671 HP2
    ZINC000150343813    		 0 C31 H41 N11 O6 InChI=1S/C31H41N11O6/c1-3
    8(2)12-7-9-32-24(43)8-10-
    34-28(45)22-14-19(16-40(2
    2)4)35-30(47)25-26(44)21(
    18-42(25)6)37-29(46)23-15
    -20(17-41(23)5)36-31(48)2
    7-33-11-13-39(27)3/h11,13
    -18,44H,7-10,12H2,1-6H3,(
    H,32,43)(H,34,45)(H,35,47
    )(H,36,48)(H,37,46);
    WNWMZSNXDXZKBO-UHFFFAOYSA-N    		 Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(c
    3O)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(
    C)C)C; O=C(Nc3cc(C(=O)Nc2c(O)c(C(=O)Nc1c
    c(C(=O)NCCC(=O)NCCCN(C)C)n(c1)C)n(c2)C)n
    (c3)C)c4nccn4C; CN(C)CCCNC(=O)CCNC(=O)c1
    cc(NC(=O)c2n(C)cc(NC(=O)c3cc(NC(=O)c4ncc
    n4C)cn3C)c2O)cn1C    		 HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POLYAMIDE;
    IMIDAZOLE-PYRROLE-HYDROXYPYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
    22672 HP3 0 C3 H8 O2 InChI=1/C3H8O2/c1-3(5)2-4
    /h3-5H,2H2,1H3/t3-/m1/s1;
    DNIAPMSPPWPWGF-GSVOUGTGBJ    		 CC(CO)O; C[C@@H](O)CO; C[CH](O)CO; C[C@H
    ](CO)O; OCC(O)C    		 2,3-PROPANDIOL
    22673 HP4 3 H2 O2 P InChI=1S/H3O2P/c1-3-2/h3H
    2,(H,1,2)/p-1;
    ACVYVLVWPXVTIT-UHFFFAOYSA-M    		 [O-][PH2]=O phosphinate;
    Hypophosphite
    22674 HP5 2 C34 H32 Fe N4 O6 InChI=1S/C34H34N4O6.Fe/c1
    -7-21-16(2)26-14-31-34(20
    (6)44-43)19(5)27(38-31)12
    -24-17(3)22(8-10-32(39)40
    )29(36-24)15-30-23(9-11-3
    3(41)42)18(4)25(37-30)13-
    28(21)35-26;/h7,12-15H,1,
    6,8-11H2,2-5H3,(H5,35,36,
    37,38,39,40,41,42,43);/q;
    +2/p-2/b24-12-,25-13-,26-
    14-,27-12-,28-13-,29-15?,
    30-15-,31-14-;;
    NXBKHEUPFTWXKQ-FPZTWHSASA-L    		 OOC(\c3c(c2C=C1C(=C(CCC(=O)O)C7=N1[Fe]46
    n2c3C=C5N4=C(C(=C5C)[C@H]=C)C=C8N6C(=C7)
    C(=C8C)CCC(O)=O)C)C)=C; CC1=C(CCC(O)=O)C
    2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=Cc4c(c3C)C
    (=C)OO)C(=C6C=C)C)C(=C(CCC(O)=O)C5=C2)C;
    CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe][N@@]5C(
    =CC6=NC(=Cc4c(c3C)C(=C)OO)C(=C6C=C)C)C(=
    C(CCC(O)=O)C5=C2)C; Cc1c2n3c(c1C(=C)OO)C
    =C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)
    C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C=
    C)C    		 Peroxidized Heme Form 2
    22675 HP6
    CHEMBL134658
    ZINC000001691363    		 0 C7 H16 InChI=1S/C7H16/c1-3-5-7-6
    -4-2/h3-7H2,1-2H3;
    IMNFDUFMRHMDMM-UHFFFAOYSA-N    		 CCCCCCC HEPTANE
    22676 HP7
    ZINC000024617040    		 22 C17 H25 N3 O18 P2 InChI=1S/C17H25N3O18P2/c1
    -5(21)18-8-10(24)11(25)13
    (15(27)28)36-16(8)37-40(3
    2,33)38-39(30,31)34-4-6-9
    (23)12(26)14(35-6)20-3-2-
    7(22)19-17(20)29/h2-3,6,8
    -14,16,23-26H,4H2,1H3,(H,
    18,21)(H,27,28)(H,30,31)(
    H,32,33)(H,19,22,29)/t6-,
    8-,9-,10-,11+,12-,13+,14-
    ,16-/m1/s1;
    DZOGQXKQLXAPND-HHKCBAECSA-N    		 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]
    1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H
    ]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(
    =O)O)O)O; CC(=O)N[C@@H]1[C@@H](O)[C@H](O
    )[C@H](O[C@@H]1O[P](O)(=O)O[P](O)(=O)OC[
    C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)N
    C3=O)C(O)=O; CC(=O)NC1C(C(C(OC1OP(=O)(O)
    OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)
    O)C(=O)O)O)O; O=C1C=CN(C(=O)N1)C2OC(C(O)
    C2O)COP(=O)(OP(=O)(OC3OC(C(=O)O)C(O)C(O)
    C3NC(=O)C)O)O; CC(=O)N[CH]1[CH](O)[CH](O
    )[CH](O[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]
    2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)C(O
    )=O    		 (2S,3S,4R,5R,6R)-5-acetamido-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid
    22677 HP8
    CHEMBL1162041
    ZINC000028865812    		 2 C17 H18 N6 O9 S InChI=1S/C17H18N6O9S/c18-
    14-10-15(20-5-19-14)23(6-
    21-10)17-13(27)12(26)9(32
    -17)4-31-33(29,30)22-16(2
    8)7-2-1-3-8(24)11(7)25/h1
    -3,5-6,9,12-13,17,24-27H,
    4H2,(H,22,28)(H2,18,19,20
    )/t9-,12-,13-,17-/m1/s1;
    DDOFAAYVEMVKLG-DMEFTLKTSA-N    		 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[S](=O)(
    =O)NC(=O)c4cccc(O)c4O)[C@@H](O)[C@H]3O;
    O=C(c1cccc(O)c1O)NS(=O)(=O)OCC4OC(n3cnc2
    c(ncnc23)N)C(O)C4O; Nc1ncnc2n(cnc12)[CH]
    3O[CH](CO[S](=O)(=O)NC(=O)c4cccc(O)c4O)[
    CH](O)[CH]3O; c1cc(c(c(c1)O)O)C(=O)NS(=O
    )(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O; c1
    cc(c(c(c1)O)O)C(=O)NS(=O)(=O)OC[C@@H]2[C
    @H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O    		 5'-O-{[(2,3-dihydroxyphenyl)carbonyl]sulfamoyl}adenosine;
    5'-O-[N-(2,3-dihydroxybenzoyl)sulfamoyl] adenosine
    22678 HP9 0 C16 H12 F N O4 InChI=1S/C16H12FNO4/c17-9
    -2-4-14-11(7-9)15(19)10-5
    -8(1-3-13(10)22-14)6-12(1
    8)16(20)21/h1-5,7,12H,6,1
    8H2,(H,20,21)/t12-/m0/s1;
    BHLMSYCQBMXWKV-LBPRGKRZSA-N    		 c1cc2c(cc1C[C@@H](C(=O)O)N)C(=O)c3cc(ccc
    3O2)F; c1cc2c(cc1CC(C(=O)O)N)C(=O)c3cc(c
    cc3O2)F; N[CH](Cc1ccc2Oc3ccc(F)cc3C(=O)c
    2c1)C(O)=O; N[C@@H](Cc1ccc2Oc3ccc(F)cc3C
    (=O)c2c1)C(O)=O    		 (2S)-2-azanyl-3-(7-fluoranyl-9-oxidanylidene-xanthen-2-yl)propanoic acid
    22679 HPA
    CHEMBL1427
    DB04076
    ZINC000018153302    		 79 C5 H4 N4 O InChI=1S/C5H4N4O/c10-5-3-
    4(7-1-6-3)8-2-9-5/h1-2H,(
    H2,6,7,8,9,10);
    FDGQSTZJBFJUBT-UHFFFAOYSA-N    		 O=C1c2c(N=CN1)ncn2; c1[nH]c2c(n1)N=CNC2=
    O; O=C1NC=Nc2nc[nH]c12    		 HYPOXANTHINE
    22680 HPB 0 C10 H15 N O InChI=1/C10H15NO/c1-8(12)
    10(11)7-9-5-3-2-4-6-9/h2-
    6,8,10,12H,7,11H2,1H3/t8-
    ,10+/m1/s1;
    SMZUMFSKQVVOOV-SCZZXKLOBX    		 CC(C(Cc1ccccc1)N)O; C[C@H]([C@H](Cc1cccc
    c1)N)O; C[CH](O)[CH](N)Cc1ccccc1; C[C@@H
    ](O)[C@@H](N)Cc1ccccc1; OC(C(N)Cc1ccccc1
    )C    		 2-HYDROXY-3-AMINO-4-PHENYL BUTANE
    22681 HPC 0 C10 H13 N O InChI=1/C10H13NO/c1-8(12)
    10(11)7-9-5-3-2-4-6-9/h2-
    6,10H,7,11H2,1H3/t10-/m0/
    s1;
    RTUDQBPZFFIRAD-JTQLQIEIBF    		 O=C(C(N)Cc1ccccc1)C; CC(=O)C(Cc1ccccc1)N
    ; CC(=O)[C@@H](N)Cc1ccccc1; CC(=O)[C@H](
    Cc1ccccc1)N; CC(=O)[CH](N)Cc1ccccc1    		 3-AMINO-4-PHENYL-BUTAN-2-ONE
    22682 HPD
    DB04087    		 8 C5 H13 O7 P InChI=1S/C5H13O7P/c6-2-1-
    4(7)5(8)3-12-13(9,10)11/h
    4-8H,1-3H2,(H2,9,10,11)/t
    4-,5+/m0/s1;
    YCHBTVQJICBXEI-CRCLSJGQSA-N    		 O=P(O)(O)OCC(O)C(O)CCO; OCC[CH](O)[CH](O
    )CO[P](O)(O)=O; C(CO)C(C(COP(=O)(O)O)O)O
    ; C(CO)[C@@H]([C@@H](COP(=O)(O)O)O)O; OC
    C[C@H](O)[C@H](O)CO[P](O)(O)=O    		 1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATE;
    OPEN FORM OF 2'-DEOXY-RIBOFURANOSE-5'-PHOSPHATE
    22683 HPE
    CHEMBL1233389
    ZINC000008075874    		 0 C10 H13 N O2 InChI=1S/C10H13NO2/c11-9(
    10(12)13)7-6-8-4-2-1-3-5-
    8/h1-5,9H,6-7,11H2,(H,12,
    13)/t9-/m0/s1;
    JTTHKOPSMAVJFE-VIFPVBQESA-N    		 c1ccc(cc1)CCC(C(=O)O)N; N[CH](CCc1ccccc1
    )C(O)=O; N[C@@H](CCc1ccccc1)C(O)=O; O=C(
    O)C(N)CCc1ccccc1; c1ccc(cc1)CC[C@@H](C(=
    O)O)N    		 HOMOPHENYLALANINE
    22684 HPF
    ZINC000033913600    		 1 C9 H14 N O7 P InChI=1S/C9H14NO7P/c11-7-
    4-2-1-3-6(7)10-9(13)8(12)
    5-17-18(14,15)16/h1-4,8-1
    3H,5H2,(H2,14,15,16)/t8-,
    9-/m1/s1;
    SPOVITMZOKMJPQ-RKDXNWHRSA-N    		 c1ccc(c(c1)N[C@@H]([C@@H](COP(=O)(O)O)O)
    O)O; O=P(O)(O)OCC(O)C(O)Nc1ccccc1O; O[C@
    H](CO[P](O)(O)=O)[C@@H](O)Nc1ccccc1O; c1
    ccc(c(c1)NC(C(COP(=O)(O)O)O)O)O; O[CH](C
    O[P](O)(O)=O)[CH](O)Nc1ccccc1O    		 1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATE
    22685 HPG 0 C3 H8 O2 InChI=1/C3H8O2/c4-2-1-3-5
    /h4-5H,1-3H2;
    YPFDHNVEDLHUCE-UHFFFAOYAS    		 C(CO)CO; OCCCO HYDROXYPROPYLOXY GROUP
    22686 HPH
    DB07910
    ZINC000002046783    		 6 C9 H13 N O2 InChI=1S/C9H13NO2/c10-8(9
    (11)12)6-7-4-2-1-3-5-7/h1
    -5,8-9,11-12H,6,10H2/t8-/
    m0/s1;
    IFTWVTAUEXLCHB-QMMMGPOBSA-N    		 N[C@@H](Cc1ccccc1)C(O)O; c1ccc(cc1)CC(C(
    O)O)N; c1ccc(cc1)C[C@@H](C(O)O)N; N[CH](
    Cc1ccccc1)C(O)O; OC(O)C(N)Cc1ccccc1    		 (2S)-2-amino-3-phenylpropane-1,1-diol;
    (2S)-2-amino-3-phenylpropane-1,1-diol
    22687 HPI
    DB02307
    ZINC000012501888    		 1 C23 H27 N3 O6 InChI=1S/C23H27N3O6/c24-2
    1(29)18(14-20(27)28)26-22
    (30)19(13-16-9-5-2-6-10-1
    6)25-17(23(31)32)12-11-15
    -7-3-1-4-8-15/h1-10,17-19
    ,25H,11-14H2,(H2,24,29)(H
    ,26,30)(H,27,28)(H,31,32)
    /t17-,18-,19-/m0/s1;
    FOJUHLDAXGNCIP-FHWLQOOXSA-N    		 c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](Cc2ccc
    cc2)C(=O)N[C@@H](CC(=O)O)C(=O)N; NC(=O)[
    CH](CC(O)=O)NC(=O)[CH](Cc1ccccc1)N[CH](C
    Cc2ccccc2)C(O)=O; NC(=O)[C@H](CC(O)=O)NC
    (=O)[C@H](Cc1ccccc1)N[C@@H](CCc2ccccc2)C
    (O)=O; O=C(O)CC(C(=O)N)NC(=O)C(NC(C(=O)O
    )CCc1ccccc1)Cc2ccccc2; c1ccc(cc1)CCC(C(=
    O)O)NC(Cc2ccccc2)C(=O)NC(CC(=O)O)C(=O)N    		 N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-ALPHA-ASPARAGINE
    22688 HPJ
    CHEMBL2203964
    ZINC000095560335    		 4 C22 H21 N3 O3 InChI=1S/C22H21N3O3/c1-28
    -11-5-9-24-10-8-17-12-19(
    15-23-22(17)24)20-13-18(1
    4-21(26)25(20)27)16-6-3-2
    -4-7-16/h2-4,6-8,10,12-15
    ,27H,5,9,11H2,1H3;
    MIWLVFZOCHMICD-UHFFFAOYSA-N    		 COCCCn1ccc2cc(cnc12)C3=CC(=CC(=O)N3O)c4c
    cccc4; COCCCn1ccc2c1ncc(c2)C3=CC(=CC(=O)
    N3O)c4ccccc4; O=C4C=C(c1ccccc1)C=C(c2cc3
    ccn(c3nc2)CCCOC)N4O    		 1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one
    22689 HPK
    DB07911    		 6 C12 H9 O4 InChI=1S/C12H10O4/c13-10(
    9-5-2-1-3-6-9)7-4-8-11(14
    )12(15)16/h1-6,8H,7H2,(H,
    15,16)/p-1/b8-4+;
    QPGAZPBFRAAJBD-XBXARRHUSA-M    		 [O-]C(=O)C(=O)C=CCC(=O)c1ccccc1; [O-]C(=
    O)C(=O)/C=C/CC(=O)c1ccccc1; O=C(c1ccccc1
    )C\C=C\C(=O)C([O-])=O; c1ccc(cc1)C(=O)C\
    C=C\C(=O)C(=O)[O-]; c1ccc(cc1)C(=O)CC=CC
    (=O)C(=O)[O-]    		 (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE
    22690 HPL
    CHEMBL43719
    DB04105
    ZINC000001598919    		 2 C8 H17 N O InChI=1S/C8H17NO/c1-2-3-4
    -5-6-7-9-8-10/h8H,2-7H2,1
    H3,(H,9,10);
    YAUHDTOEJHVKJO-UHFFFAOYSA-N    		 CCCCCCCNC=O; O=CNCCCCCCC HEPTYLFORMAMIDE;
    N-HEPTYLFORMAMIDE
    22691 HPM
    CHEMBL427212
    ZINC000016051861    		 2 C28 H31 N7 O4 InChI=1S/C28H31N7O4/c1-38
    -24-12-22-23(13-25(24)39-
    17-21(36)16-35-10-6-3-7-1
    1-35)31-18-32-26(22)33-20
    -14-29-28(30-15-20)34-27(
    37)19-8-4-2-5-9-19/h2,4-5
    ,8-9,12-15,18,21,36H,3,6-
    7,10-11,16-17H2,1H3,(H,31
    ,32,33)(H,29,30,34,37)/t2
    1-/m0/s1;
    WHHFZOIADLFZRX-NRFANRHFSA-N    		 COc1cc2c(cc1OCC(CN3CCCCC3)O)ncnc2Nc4cnc(
    nc4)NC(=O)c5ccccc5; COc1cc2c(Nc3cnc(NC(=
    O)c4ccccc4)nc3)ncnc2cc1OC[C@@H](O)CN5CCC
    CC5; COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)
    ncnc2cc1OC[CH](O)CN5CCCCC5; COc1cc2c(cc1
    OC[C@H](CN3CCCCC3)O)ncnc2Nc4cnc(nc4)NC(=
    O)c5ccccc5; O=C(c1ccccc1)Nc2ncc(cn2)Nc5n
    cnc4cc(OCC(O)CN3CCCCC3)c(OC)cc45    		 N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE
    22692 HPN
    CHEMBL238502
    DB02641
    ZINC000001672870    		 1 C7 H15 N O InChI=1S/C7H15NO/c1-2-3-4
    -5-6-7(8)9/h2-6H2,1H3,(H2
    ,8,9);
    AEDIXYWIVPYNBI-UHFFFAOYSA-N    		 CCCCCCC(=O)N; O=C(N)CCCCCC; CCCCCCC(N)=O HEPTANAMIDE
    22693 HPO
    DB07912
    ZINC000024708839    		 1 C7 H15 O4 P InChI=1S/C7H15O4P/c1-2-3-
    4-5-7(8)6-12(9,10)11/h2-6
    H2,1H3,(H2,9,10,11);
    ACMQFLCUSWMWKH-UHFFFAOYSA-N    		 CCCCCC(=O)CP(=O)(O)O; O=C(CCCCC)CP(=O)(O
    )O; CCCCCC(=O)C[P](O)(O)=O    		 2-OXOHEPTYLPHOSPHONIC ACID
    22694 HPP
    CHEMBL1172560
    DB03897
    ZINC000008383206    		 6 C9 H10 O3 InChI=1S/C9H10O3/c10-8-4-
    1-7(2-5-8)3-6-9(11)12/h1-
    2,4-5,10H,3,6H2,(H,11,12);
    NMHMNPHRMNGLLB-UHFFFAOYSA-N    		 O=C(O)CCc1ccc(O)cc1; c1cc(ccc1CCC(=O)O)O
    ; OC(=O)CCc1ccc(O)cc1    		 HYDROXYPHENYL PROPIONIC ACID
    22695 HPQ
    DB07913
    ZINC000044460088    		 0 C11 H15 N O InChI=1S/C11H15NO/c1-9(13
    )11(12)8-7-10-5-3-2-4-6-1
    0/h2-6,11H,7-8,12H2,1H3/t
    11-/m0/s1;
    ZDTWNRLBYDWRII-NSHDSACASA-N    		 CC(=O)C(CCc1ccccc1)N; CC(=O)[C@@H](N)CCc
    1ccccc1; CC(=O)[C@H](CCc1ccccc1)N; CC(=O
    )[CH](N)CCc1ccccc1; O=C(C(N)CCc1ccccc1)C    		 HOMOPHENYLALANINYLMETHANE
    22696 HPR
    DB02472
    ZINC000038321449    		 2 C10 H14 N4 O5 InChI=1S/C10H14N4O5/c15-1
    -4-6(16)7(17)10(19-4)14-3
    -13-5-8(14)11-2-12-9(5)18
    /h2,4,6-7,10,13,15-17H,1,
    3H2,(H,11,12,18)/t4-,6-,7
    -,10-/m1/s1;
    ZWTNXGIZBOQCAJ-KQYNXXCUSA-N    		 c1nc2c(c(n1)O)NCN2[C@H]3[C@@H]([C@@H]([C
    @H](O3)CO)O)O; c1nc2c(c(n1)O)NCN2C3C(C(C
    (O3)CO)O)O; OC[CH]1O[CH]([CH](O)[CH]1O)N
    2CNc3c(O)ncnc23; Oc3ncnc1c3NCN1C2OC(C(O)
    C2O)CO; OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)
    N2CNc3c(O)ncnc23    		 6-HYDROXY-7,8-DIHYDRO PURINE NUCLEOSIDE
    22697 HPS
    CHEMBL26128
    DB03298
    ZINC000001529512    		 4 C6 H7 O4 P InChI=1S/C6H7O4P/c7-11(8,
    9)10-6-4-2-1-3-5-6/h1-5H,
    (H2,7,8,9);
    CMPQUABWPXYYSH-UHFFFAOYSA-N    		 O=P(Oc1ccccc1)(O)O; c1ccc(cc1)OP(=O)(O)O
    ; O[P](O)(=O)Oc1ccccc1    		 PHENYL DIHYDROGEN PHOSPHATE;
    PHENYLPHOSPHATE
    22698 HPT
    DB04139    		 2 C8 H12 N2 O3 InChI=1S/C8H12N2O3/c1-5-6
    (3-2-4-11)9-8(13)10-7(5)1
    2/h11H,2-4H2,1H3,(H2,9,10
    ,12,13);
    OIEJBPVNLZZLGQ-UHFFFAOYSA-N    		 CC1=C(CCCO)NC(=O)NC1=O; CC1=C(NC(=O)NC1=
    O)CCCO; O=C1NC(=C(C(=O)N1)C)CCCO    		 6-HYDROXYPROPYLTHYMINE
    22699 HPU
    ZINC000095921437    		 8 C18 H16 N2 O4 S InChI=1S/C18H16N2O4S/c1-2
    5(23,24)19-16-9-5-8-14(10
    -16)17-11-15(12-18(21)20(
    17)22)13-6-3-2-4-7-13/h2-
    12,19,22H,1H3;
    MDYXMYBWSBAIMZ-UHFFFAOYSA-N    		 C[S](=O)(=O)Nc1cccc(c1)C2=CC(=CC(=O)N2O)
    c3ccccc3; O=C3C=C(c1ccccc1)C=C(c2cccc(NS
    (=O)(=O)C)c2)N3O; CS(=O)(=O)Nc1cccc(c1)C
    2=CC(=CC(=O)N2O)c3ccccc3    		 N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide
    22700 HPV
    ZINC000003869279    		 1 C3 H5 O7 P InChI=1S/C3H5O7P/c4-2(3(5
    )6)1-10-11(7,8)9/h1H2,(H,
    5,6)(H2,7,8,9);
    LFLUCDOSQPJJBE-UHFFFAOYSA-N    		 C(C(=O)C(=O)O)OP(=O)(O)O; OC(=O)C(=O)CO[
    P](O)(O)=O; O=P(O)(O)OCC(=O)C(=O)O    		 2-oxo-3-(phosphonooxy)propanoic acid;
    Hydroxypyruvic acid phosphate
    22701 HPW
    ZINC000095921406    		 4 C19 H19 N3 O6 S2 InChI=1S/C19H19N3O6S2/c1-
    29(25,26)20-16-8-15(9-17(
    12-16)21-30(2,27)28)18-10
    -14(11-19(23)22(18)24)13-
    6-4-3-5-7-13/h3-12,20-21,
    24H,1-2H3;
    AKWZUDBNQVPNBK-UHFFFAOYSA-N    		 CS(=O)(=O)Nc1cc(cc(c1)NS(=O)(=O)C)C2=CC(
    =CC(=O)N2O)c3ccccc3; C[S](=O)(=O)Nc1cc(N
    [S](C)(=O)=O)cc(c1)C2=CC(=CC(=O)N2O)c3cc
    ccc3; O=C3C=C(c1ccccc1)C=C(c2cc(NS(=O)(=
    O)C)cc(NS(=O)(=O)C)c2)N3O    		 N-[3-(1-Hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide
    22702 HPX
    DB07914    		 8 C12 H10 O4 InChI=1S/C12H10O4/c13-10(
    9-5-2-1-3-6-9)7-4-8-11(14
    )12(15)16/h1-8,14H,(H,15,
    16)/b7-4+,11-8-;
    RDRDHXDYMGUCKE-KXBBGWRGSA-N    		 OC(=O)C(/O)=C/C=C/C(=O)c1ccccc1; c1ccc(c
    c1)C(=O)/C=C/C=C(/C(=O)O)\O; OC(=O)C(O)=
    CC=CC(=O)c1ccccc1; c1ccc(cc1)C(=O)C=CC=C
    (C(=O)O)O; O=C(\C=C\C=C(/O)C(=O)O)c1cccc
    c1    		 (2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID
    22703 HPY
    DB03939
    ZINC000005835317    		 5 C4 H6 N2 O2 InChI=1S/C4H6N2O2/c7-3-1-
    2-5-4(8)6-3/h1-3,7H,(H2,5
    ,6,8)/t3-/m0/s1;
    DEAAWXYGBWCVJW-VKHMYHEASA-N    		 C1=CNC(=O)N[C@H]1O; O=C1NC(O)C=CN1; O[CH
    ]1NC(=O)NC=C1; C1=CNC(=O)NC1O; O[C@@H]1N
    C(=O)NC=C1    		 4-HYDROXY-3,4-DIHYDRO-1H-PYRIMIDIN-2-ONE
    22704 HPZ
    DB07915
    ZINC000100036081    		 1 C12 H10 O4 InChI=1S/C12H10O4/c13-10(
    9-5-2-1-3-6-9)7-4-8-11(14
    )12(15)16/h1-8,14H,(H,15,
    16)/b7-4+,11-8+;
    RDRDHXDYMGUCKE-VCABWLAWSA-N    		 c1ccc(cc1)C(=O)\C=C\C=C(/C(=O)O)\O; OC(=
    O)C(O)=CC=CC(=O)c1ccccc1; c1ccc(cc1)C(=O
    )C=CC=C(C(=O)O)O; OC(=O)C(\O)=C/C=C/C(=O
    )c1ccccc1; O=C(\C=C\C=C(\O)C(=O)O)c1cccc
    c1    		 (2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID
    22705 HQ 0 C16 H21 N O2 InChI=1/C16H21NO2/c1-2-3-
    4-5-6-9-13-12-16(18)14-10
    -7-8-11-15(14)17(13)19/h7
    -8,10-12,18H,2-6,9H2,1H3;
    NZPACTGCRWDXCJ-UHFFFAOYAL    		 CCCCCCCc1cc(O)c2ccccc2[n+]1[O-]; CCCCCCC
    c1cc(c2ccccc2[n+]1[O-])O; [O-][n+]2c1ccc
    cc1c(O)cc2CCCCCCC    		 2-HEPTYL-1,4-DIHYDROXY-QUINOLINIUM
    22706 HQ0
    CHEMBL5201276    		 2 C9 H12 N2 O2 InChI=1S/C9H12N2O2/c1-3-4
    -5-11-7(2)6-10-8(11)9(12)
    13/h3,6H,1,4-5H2,2H3,(H,1
    2,13);
    KKHWONYZFGWILM-UHFFFAOYSA-N    		 Cc1cnc(n1CCC=C)C(=O)O; Cc1cnc(n1CCC=C)C(
    O)=O    		 1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid
    22707 HQ2
    CHEMBL1315670
    ZINC000064492130    		 2 C14 H15 N3 O3 InChI=1S/C14H15N3O3/c18-1
    2-2-1-10(14(19)20)11-7-9(
    8-16-13(11)12)17-5-3-15-4
    -6-17/h1-2,7-8,15,18H,3-6
    H2,(H,19,20);
    TUTIPJBLHAOGRW-UHFFFAOYSA-N    		 O=C(O)c2c1cc(cnc1c(O)cc2)N3CCNCC3; c1cc(
    c2c(c1C(=O)O)cc(cn2)N3CCNCC3)O; OC(=O)c1
    ccc(O)c2ncc(cc12)N3CCNCC3    		 8-hydroxy-3-(piperazin-1-yl)quinoline-5-carboxylic acid
    22708 HQ3
    CHEMBL5201405    		 2 C12 H12 N2 O2 InChI=1S/C12H12N2O2/c1-9-
    7-13-11(12(15)16)14(9)8-1
    0-5-3-2-4-6-10/h2-7H,8H2,
    1H3,(H,15,16);
    XEZPQNRXMLVHHC-UHFFFAOYSA-N    		 Cc1cnc(n1Cc2ccccc2)C(=O)O; Cc1cnc(n1Cc2c
    cccc2)C(O)=O    		 5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid
    22709 HQ5
    CHEMBL4465674    		 1 C15 H25 N5 O8 S InChI=1S/C15H25N5O8S/c1-7
    (2)5-8(16)13(23)19-29(25,
    26)27-6-9-11(21)12(22)14(
    28-9)20-4-3-10(17)18-15(2
    0)24/h3-4,7-9,11-12,14,21
    -22H,5-6,16H2,1-2H3,(H,19
    ,23)(H2,17,18,24)/t8-,9+,
    11+,12+,14+/m0/s1;
    GAMJBGGTDXDZPE-XKYXEJCGSA-N    		 CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)N2C=
    CC(=NC2=O)N)O)O)N; CC(C)C[C@@H](C(=O)NS(
    =O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2
    C=CC(=NC2=O)N)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(=NC2=O)N; CC(C)C[CH](N)C(=O)N
    [S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2
    C=CC(=NC2=O)N    		 5'-O-(N-(L-Leucyl)-Sulfamoyl)Cytidine
    22710 HQ6
    CHEMBL541702
    ZINC000059124821    		 2 C9 H18 N2 O5 InChI=1S/C9H18N2O5/c1-4(1
    3)11-7-6(14)2-10-5(3-12)8
    (15)9(7)16/h5-10,12,14-16
    H,2-3H2,1H3,(H,11,13)/t5-
    ,6-,7+,8-,9-/m1/s1;
    RJAFVDFBXXHCRJ-SYHAXYEDSA-N    		 O=C(NC1C(O)C(O)C(NCC1O)CO)C; CC(=O)NC1C(
    CNC(C(C1O)O)CO)O; CC(=O)N[C@H]1[C@@H](CN
    [C@@H]([C@H]([C@@H]1O)O)CO)O; CC(=O)N[CH
    ]1[CH](O)CN[CH](CO)[CH](O)[CH]1O; CC(=O)
    N[C@H]1[C@H](O)CN[C@H](CO)[C@@H](O)[C@@H
    ]1O    		 N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide
    22711 HQ7
    CHEMBL4100286    		 2 C26 H30 F N3 O5 InChI=1S/C26H30FN3O5/c1-2
    6(2)11-9-15-13-16(14-18(2
    7)23(15)26)28-25(34)24-17
    -7-8-20(35-3)29-19(17)10-
    12-30(24)21(31)5-4-6-22(3
    2)33/h7-8,13-14,24H,4-6,9
    -12H2,1-3H3,(H,28,34)(H,3
    2,33)/t24-/m1/s1;
    BENOEPUDOPGLCP-XMMPIXPASA-N    		 c1c(OC)nc4c(c1)C(C(=O)Nc3cc2CCC(c2c(c3)F
    )(C)C)N(CC4)C(CCCC(O)=O)=O; COc1ccc2[C@@
    H](N(CCc2n1)C(=O)CCCC(O)=O)C(=O)Nc3cc(F)
    c4c(CCC4(C)C)c3; CC1(CCc2c1c(cc(c2)NC(=O
    )C3c4ccc(nc4CCN3C(=O)CCCC(=O)O)OC)F)C; C
    C1(CCc2c1c(cc(c2)NC(=O)[C@H]3c4ccc(nc4CC
    N3C(=O)CCCC(=O)O)OC)F)C; COc1ccc2[CH](N(
    CCc2n1)C(=O)CCCC(O)=O)C(=O)Nc3cc(F)c4c(C
    CC4(C)C)c3    		 5-[(5R)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]-5-oxopentanoic acid
    22712 HQ8
    CHEMBL1950778
    ZINC000004097493    		 2 C6 H12 O5 InChI=1S/C6H12O5/c7-2-1-3
    (8)5(10)6(11)4(2)9/h2-11H
    ,1H2/t2-,3-,4+,5+/m1/s1;
    IMPKVMRTXBRHRB-MBMOQRBOSA-N    		 O[C@@H]1C[C@@H](O)[C@H](O)C(O)[C@H]1O; C
    1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O;
    O[CH]1C[CH](O)[CH](O)C(O)[CH]1O; C1C(C(C
    (C(C1O)O)O)O)O    		 (1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol
    22713 HQ9
    ZINC000095921368    		 1 C8 H8 O4 InChI=1S/C8H8O4/c9-6-1-2-
    7(10)5(3-6)4-8(11)12/h1-3
    ,7,10H,4H2,(H,11,12)/t7-/
    m0/s1;
    SORMFPBLGIOKJT-ZETCQYMHSA-N    		 O=C(O)CC1=CC(=O)C=CC1O; O[CH]1C=CC(=O)C=
    C1CC(O)=O; C1=CC(=O)C=C([C@H]1O)CC(=O)O;
    C1=CC(=O)C=C(C1O)CC(=O)O; O[C@H]1C=CC(=
    O)C=C1CC(O)=O    		 2-(6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl)ethanoic acid
    22714 HQA
    ZINC000044699590    		 0 C12 H12 N2 O3 InChI=1S/C12H12N2O3/c13-9
    (12(16)17)5-7-4-8-2-1-3-1
    0(15)11(8)14-6-7/h1-4,6,9
    ,15H,5,13H2,(H,16,17)/t9-
    /m0/s1;
    XLOULZPUVVVWES-VIFPVBQESA-N    		 c1cc2cc(cnc2c(c1)O)CC(C(=O)O)N; N[CH](Cc
    1cnc2c(O)cccc2c1)C(O)=O; c1cc2cc(cnc2c(c
    1)O)C[C@@H](C(=O)O)N; N[C@@H](Cc1cnc2c(O
    )cccc2c1)C(O)=O; O=C(O)C(N)Cc1cc2cccc(O)
    c2nc1    		 3-(8-hydroxyquinolin-3-yl)-L-alanine
    22715 HQB
    CHEMBL4778413    		 3 C12 H9 N5 O2 InChI=1S/C12H9N5O2/c1-13-
    12-15-6-8-4-7-5-14-3-2-9(
    7)11(17(18)19)10(8)16-12/
    h2-6H,1H3,(H,13,15,16);
    WJQCMHKMNXKJQR-UHFFFAOYSA-N    		 CNc1ncc2cc3cnccc3c(c2n1)[N+]([O-])=O; CN
    c1ncc2cc3cnccc3c(c2n1)[N+](=O)[O-]    		 ~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine
    22716 HQC
    DB07916
    ZINC000016051414    		 2 C24 H25 N3 O6 S InChI=1S/C24H25N3O6S/c28-
    14-16(13-21(30)31)26-23(3
    2)17(20-8-4-12-34-20)6-1-
    2-11-25-24(33)18-10-9-15-
    5-3-7-19(29)22(15)27-18/h
    3-5,7-10,12,14,16-17,29H,
    1-2,6,11,13H2,(H,25,33)(H
    ,26,32)(H,30,31)/t16-,17-
    /m0/s1;
    QXMPYGCWDMKRMF-IRXDYDNUSA-N    		 O=C(O)CC(C=O)NC(=O)C(c1sccc1)CCCCNC(=O)c
    2nc3c(cc2)cccc3O; c1cc2ccc(nc2c(c1)O)C(=
    O)NCCCC[C@@H](c3cccs3)C(=O)N[C@@H](CC(=O
    )O)C=O; c1cc2ccc(nc2c(c1)O)C(=O)NCCCCC(c
    3cccs3)C(=O)NC(CC(=O)O)C=O; OC(=O)C[CH](
    NC(=O)[CH](CCCCNC(=O)c1ccc2cccc(O)c2n1)c
    3sccc3)C=O; OC(=O)C[C@H](NC(=O)[C@@H](CC
    CCNC(=O)c1ccc2cccc(O)c2n1)c3sccc3)C=O    		 3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-4-OXO-BUTYRI ACID
    22717 HQD
    ZINC000016343276    		 9 C10 H9 N O2 InChI=1S/C10H9NO2/c1-6-9(
    12)10(13)7-4-2-3-5-8(7)11
    -6/h2-5,12H,1H3,(H,11,13);
    FSCXZVPPDJYLDD-UHFFFAOYSA-N    		 CC1=C(O)C(=O)c2ccccc2N1; O=C2c1c(cccc1)N
    C(=C2O)C; CC1=C(C(=O)c2ccccc2N1)O    		 3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE
    22718 HQE
    CHEMBL537
    DB09526
    ZINC000005133378    		 16 C6 H6 O2 InChI=1S/C6H6O2/c7-5-1-2-
    6(8)4-3-5/h1-4,7-8H;
    QIGBRXMKCJKVMJ-UHFFFAOYSA-N    		 Oc1ccc(O)cc1; c1cc(ccc1O)O benzene-1,4-diol
    22719 HQF
    CHEMBL5206719    		 4 C12 H10 N4 O2 S InChI=1S/C12H10N4O2S/c13-
    12-15-8-2-1-7(5-9(8)19-12
    )6-16-4-3-14-10(16)11(17)
    18/h1-5H,6H2,(H2,13,15)(H
    ,17,18);
    AKDVYGWISHGCBY-UHFFFAOYSA-N    		 c1cc2c(cc1Cn3ccnc3C(=O)O)sc(n2)N; Nc1sc2
    cc(Cn3ccnc3C(O)=O)ccc2n1    		 1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid
    22720 HQG
    ZINC000096015919    		 5 C15 H24 N5 O17 P3 InChI=1S/C15H24N5O17P3/c1
    6-12-7-13(18-3-17-12)20(4
    -19-7)14-10(23)8(21)5(34-
    14)1-32-39(28,29)37-40(30
    ,31)33-2-6-9(22)11(24)15(
    35-6)36-38(25,26)27/h3-6,
    8-11,14-15,21-24H,1-2H2,(
    H,28,29)(H,30,31)(H2,16,1
    7,18)(H2,25,26,27)/t5-,6-
    ,8-,9-,10-,11-,14-,15-/m1
    /s1;
    CUNFRFHBHMFVPH-KEOHHSTQSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]
    ([C@H]([C@H](O4)OP(=O)(O)O)O)O)O)O)N; Nc
    1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P
    ](O)(=O)OC[CH]4O[CH](O[P](O)(O)=O)[CH](O
    )[CH]4O)[CH](O)[CH]3O; C2(C(C(C(COP(O)(=
    O)OP(O)(=O)OCC1C(C(C(OP(=O)(O)O)O1)O)O)O
    2)O)O)n3c4c(nc3)c(ncn4)N; c1nc(c2c(n1)n(
    cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(
    C(C(O4)OP(=O)(O)O)O)O)O)O)N; Nc1ncnc2n(c
    nc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=
    O)OC[C@H]4O[C@H](O[P](O)(O)=O)[C@H](O)[C
    @@H]4O)[C@@H](O)[C@H]3O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
    22721 HQH
    CHEMBL272733
    ZINC000014655907    		 12 C25 H37 N O4 InChI=1S/C25H37NO4/c1-9-1
    8(4)22(27)19(5)15-17(3)12
    -10-11-16(2)13-14-21-20(6
    )23(28)24(29-7)25(26-21)3
    0-8/h9-10,12-13,15,19,22,
    27H,11,14H2,1-8H3,(H,26,2
    8)/b12-10+,16-13+,17-15+,
    18-9+/t19-,22+/m1/s1;
    BBLGCDSLCDDALX-LKGBESRRSA-N    		 COC1=C(OC)C(=O)C(=C(CC=C(C)CC=CC(C)=C[CH
    ](C)[CH](O)C(C)=CC)N1)C; COC1=C(OC)C(=O)
    C(=C(C\C=C(/C)C\C=C\C(C)=C\[C@@H](C)[C@@
    H](O)C(/C)=C/C)N1)C; CC=C(C)C(C(C)C=C(C)
    C=CCC(=CCC1=C(C(=O)C(=C(N1)OC)OC)C)C)O;
    C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/
    C(=C/CC1=C(C(=O)C(=C(N1)OC)OC)C)/C)O    		 Piericidin A
    22722 HQI
    ZINC000031776951    		 1 C11 H10 N2 O2 InChI=1S/C11H10N2O2/c1-7(
    14)13-9-4-5-10(15)11-8(9)
    3-2-6-12-11/h2-6,15H,1H3,
    (H,13,14);
    YATHWKGKLIXEFF-UHFFFAOYSA-N    		 CC(=O)Nc1ccc(O)c2ncccc12; CC(=O)Nc1ccc(c
    2c1cccn2)O    		 N-(8-hydroxyquinolin-5-yl)acetamide;
    8-hydroxyquinoline
    22723 HQJ
    CHEMBL4871575
    ZINC000039132756    		 16 C9 H7 Cl N2 InChI=1S/C9H7ClN2/c10-8-3
    -1-2-7(4-8)9-5-11-6-12-9/
    h1-6H,(H,11,12);
    YAJYVAFOVNSPBQ-UHFFFAOYSA-N    		 Clc1cccc(c1)c2c[nH]cn2; c1(cccc(c1)c2cnc
    n2)Cl; c1cc(cc(c1)Cl)c2c[nH]cn2    		 4-(3-chlorophenyl)-1H-imidazole
    22724 HQK
    CHEMBL225963
    ZINC000001543237    		 4 C19 H25 Cl N2 O S InChI=1S/C19H25ClN2OS/c1-
    18(2,3)14-9-7-13(8-10-14)
    12-24-15-11-21-22(19(4,5)
    6)17(23)16(15)20/h7-11H,1
    2H2,1-6H3;
    DWFZBUWUXWZWKD-UHFFFAOYSA-N    		 CC(C)(C)c1ccc(cc1)CSC2=C(C(=O)N(N=C2)C(C
    )(C)C)Cl; CC(C)(C)N1N=CC(=C(Cl)C1=O)SCc2
    ccc(cc2)C(C)(C)C    		 Pyridaben
    22725 HQL
    CHEMBL574003
    DB07917
    ZINC000003810035    		 4 C22 H27 N5 O InChI=1S/C22H27N5O/c1-3-8
    -18(9-4-1)22(19-10-5-2-6-
    11-19)28-20-13-16-27(17-1
    4-20)15-7-12-21-23-25-26-
    24-21/h1-6,8-11,20,22H,7,
    12-17H2,(H,23,24,25,26);
    TZQGXAHOROZEKN-UHFFFAOYSA-N    		 c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCc4[nH
    ]nnn4; O(C2CCN(CCCc1nnnn1)CC2)C(c3ccccc3
    )c4ccccc4; C(CN1CCC(CC1)OC(c2ccccc2)c3cc
    ccc3)Cc4[nH]nnn4    		 4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE;
    HQL-79
    22726 HQM 4 C28 H37 N3 O3 InChI=1S/C28H37N3O3/c1-18
    (2)17-31(22-7-5-4-6-8-22)
    26-14-11-20(23-16-24(23)2
    7(32)33)15-25(26)30-28(34
    )29-21-12-9-19(3)10-13-21
    /h9-15,18,22-24H,4-8,16-1
    7H2,1-3H3,(H,32,33)(H2,29
    ,30,34)/t23-,24-/m1/s1;
    AHNMZQOTEVUTJH-DNQXCXABSA-N    		 Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)C3CC
    CCC3)[C@H]4C[C@H]4C(=O)O; CC(C)CN(C1CCCC
    C1)c3c(cc(C2C(C2)C(O)=O)cc3)NC(=O)Nc4ccc
    (cc4)C; CC(C)CN(C1CCCCC1)c2ccc(cc2NC(=O)
    Nc3ccc(C)cc3)[C@H]4C[C@H]4C(O)=O; CC(C)C
    N(C1CCCCC1)c2ccc(cc2NC(=O)Nc3ccc(C)cc3)[
    CH]4C[CH]4C(O)=O; Cc1ccc(cc1)NC(=O)Nc2cc
    (ccc2N(CC(C)C)C3CCCCC3)C4CC4C(=O)O    		 (1R,2S)-2-(4-[cyclohexyl(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid
    22727 HQN
    CHEMBL3092389
    ZINC000000388437    		 1 C6 H6 O3 InChI=1S/C6H6O3/c7-4-1-2-
    5(8)6(9)3-4/h1-3,7-9H;
    GGNQRNBDZQJCCN-UHFFFAOYSA-N    		 c1cc(c(cc1O)O)O; Oc1cc(O)c(O)cc1; Oc1ccc
    (O)c(O)c1    		 benzene-1,2,4-triol
    22728 HQO
    CHEMBL1233401
    DB07918
    ZINC000001529909    		 18 C16 H21 N O2 InChI=1S/C16H21NO2/c1-2-3
    -4-5-6-9-13-12-16(18)14-1
    0-7-8-11-15(14)17(13)19/h
    7-8,10-12,18H,2-6,9H2,1H3;
    NZPACTGCRWDXCJ-UHFFFAOYSA-N    		 CCCCCCCc1cc(O)c2ccccc2[n+]1[O-]; CCCCCCC
    c1cc(c2ccccc2[n+]1[O-])O; [O-][n+]2c1ccc
    cc1c(O)cc2CCCCCCC    		 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE;
    2-HEPTYL-1-OXY-QUINOLIN-4-OL
    22729 HQP 0 C21 H17 N7 InChI=1S/C21H17N7/c22-12-
    13-5-9-15(10-6-13)23-21-2
    4-17-4-2-1-3-16(17)20(26-
    21)25-19-11-18(27-28-19)1
    4-7-8-14/h1-6,9-11,13-14H
    ,7-8H2,(H2,24,25,26,27,28
    )/b23-15-;
    SEECYRBHJSWALR-HAHDFKILSA-N    		 c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)C#N)Nc4
    cc([nH]n4)C5CC5; N#CC5C=C/C(=N/c2nc1c(cc
    cc1)c(n2)Nc3nnc(c3)C4CC4)C=C5; N#CC1C=CC
    (C=C1)=Nc2nc(Nc3cc([nH]n3)C4CC4)c5ccccc5
    n2    		 4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIENE-1-CARBONITRILE
    22730 HQQ
    CHEMBL176467
    DB03368    		 3 C17 H14 N2 O4 InChI=1S/C17H14N2O4/c1-17
    (14(20)18-16(22)19-15(17)
    21)11-7-9-13(10-8-11)23-1
    2-5-3-2-4-6-12/h2-10H,1H3
    ,(H2,18,19,20,21,22);
    RTBMLCLTYAPKIF-UHFFFAOYSA-N    		 CC1(C(=O)NC(=O)NC1=O)c2ccc(Oc3ccccc3)cc2
    ; CC1(C(=O)NC(=O)NC1=O)c2ccc(cc2)Oc3cccc
    c3; O=C1NC(=O)NC(=O)C1(c3ccc(Oc2ccccc2)c
    c3)C    		 5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-2,4,6-TRIONE
    22731 HQR
    CHEMBL5187384    		 1 C9 H12 N2 O2 InChI=1S/C9H12N2O2/c1-3-4
    -5-11-6-7(2)10-8(11)9(12)
    13/h3,6H,1,4-5H2,2H3,(H,1
    2,13);
    SPRYXRMJQASWIM-UHFFFAOYSA-N    		 Cc1cn(CCC=C)c(n1)C(O)=O; Cc1cn(c(n1)C(=O
    )O)CCC=C    		 1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid
    22732 HQS
    CHEMBL4452336    		 6 C11 H12 Br F N6 O4 S2 InChI=1S/C11H12BrFN6O4S2/
    c12-7-5-6(1-2-8(7)13)16-1
    0(17-20)9-11(19-23-18-9)2
    4-4-3-15-25(14,21)22/h1-2
    ,5,15,20H,3-4H2,(H,16,17)
    (H2,14,21,22);
    WSIGGURFGMNQNZ-UHFFFAOYSA-N    		 C(Sc2c(C(\Nc1ccc(F)c(c1)Br)=N\O)non2)CNS
    (N)(=O)=O; c1cc(c(cc1NC(=NO)c2c(non2)SCC
    NS(=O)(=O)N)Br)F; N[S](=O)(=O)NCCSc1nonc
    1C(Nc2ccc(F)c(Br)c2)=NO; c1cc(c(cc1N/C(=
    N\O)/c2c(non2)SCCNS(=O)(=O)N)Br)F; N[S](
    =O)(=O)NCCSc1nonc1/C(Nc2ccc(F)c(Br)c2)=N
    /O    		 N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide
    22733 HQT
    CHEMBL3326438
    ZINC000221804656    		 1 C9 H7 N O S InChI=1S/C9H7NOS/c11-10-6
    -5-7-3-1-2-4-8(7)9(10)12/
    h1-6,11H;
    RTPXYUZLLYULJQ-UHFFFAOYSA-N    		 c1ccc2c(c1)C=CN(C2=S)O; ON1C=Cc2ccccc2C1
    =S; S=C1c2ccccc2C=CN1O    		 2-hydroxyisoquinoline-1(2H)-thione
    22734 HQU
    ZINC000003647272    		 0 C10 H7 N O3 InChI=1S/C10H7NO3/c12-8-5
    -6-3-1-2-4-7(6)11-9(8)10(
    13)14/h1-5,12H,(H,13,14);
    WHKZBVQIMVUGIH-UHFFFAOYSA-N    		 c1ccc2c(c1)cc(c(n2)C(=O)O)O; OC(=O)c1nc2
    ccccc2cc1O; O=C(O)c1nc2ccccc2cc1O    		 3-HYDROXYQUINALDIC ACID
    22735 HQV 1 C19 H29 N3 O16 P2 S InChI=1S/C19H29N3O16P2S/c
    1-2-3-10(24)20-12-15(28)1
    4(27)9(6-23)41-18(12)37-4
    0(33,34)38-39(31,32)35-7-
    8-13(26)16(29)17(36-8)22-
    5-4-11(25)21-19(22)30/h2-
    5,8-9,12-18,23,26-29H,6-7
    H2,1H3,(H,20,24)(H,31,32)
    (H,33,34)(H,21,25,30)/b3-
    2+/t8-,9-,12-,13-,14-,15-
    ,16-,17-,18+/m1/s1;
    AFVRCJQTNTUWNQ-PIXURASRSA-N    		 C/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[
    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; CC=CC(=O)NC1C(C(C(SC1OP(=O)(O)OP(=O)(
    O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)
    O; CC=CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)
    S[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]
    ([CH](O)[CH]2O)N3C=CC(=O)NC3=O; C\C=C\C(
    =O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)S[
    C@@H]1O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@
    H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O; C(C
    2C(C(C(N1C=CC(=O)NC1=O)O2)O)O)OP(OP(OC3C
    (C(O)C(O)C(CO)S3)NC([C@H]=CC)=O)(O)=O)(=
    O)O    		 (2S,3R,4R,5S,6R)-3-[(2E)-but-2-enoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
    22736 HQW
    ZINC000004025640    		 3 C22 H23 N O6 InChI=1S/C22H23NO6/c1-13(
    9-16-5-7-18(8-6-16)23(25)
    26)10-17-11-19(28-12-17)2
    1-14(2)20(24)15(3)22(27-4
    )29-21/h5-10,19H,11-12H2,
    1-4H3/b13-9+,17-10-/t19-/
    m1/s1;
    GQKXCBCSVYJUMI-WACKOAQBSA-N    		 CC1=C(OC(=C(C1=O)C)OC)C2CC(=CC(=Cc3ccc(c
    c3)[N+](=O)[O-])C)CO2; COC1=C(C)C(=O)C(=
    C(O1)[CH]2CC(CO2)=CC(C)=Cc3ccc(cc3)[N+](
    [O-])=O)C; COC1=C(C)C(=O)C(=C(O1)[C@H]2C
    /C(CO2)=C/C(C)=C/c3ccc(cc3)[N+]([O-])=O)
    C; CC1=C(OC(=C(C1=O)C)OC)[C@H]2C/C(=C/C(
    =C/c3ccc(cc3)[N+](=O)[O-])/C)/CO2    		 Aureothin
    22737 HQX 1 C11 H17 Br N2 O2 InChI=1S/C11H17BrN2O2/c1-
    4-8(2)10(14-9(3)15)11(16)
    13-7-5-6-12/h8,10H,4,7H2,
    1-3H3,(H,13,16)(H,14,15)/
    t8-,10-/m0/s1;
    RXUWJGHXIHPACB-WPRPVWTQSA-N    		 CC[C@H](C)[C@@H](C(=O)NCC#CBr)NC(=O)C; C
    C[C@H](C)[C@H](NC(C)=O)C(=O)NCC#CBr; CC[
    CH](C)[CH](NC(C)=O)C(=O)NCC#CBr; CCC(C)C
    (C(=O)NCC#CBr)NC(=O)C    		 (2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide
    22738 HQY
    CHEMBL310555
    DB11145
    ZINC000000008492    		 10 C9 H7 N O InChI=1S/C9H7NO/c11-8-5-1
    -3-7-4-2-6-10-9(7)8/h1-6,
    11H;
    MCJGNVYPOGVAJF-UHFFFAOYSA-N    		 Oc1cccc2cccnc12; c1cc2cccnc2c(c1)O quinolin-8-ol;
    8-hydroxyquinoline
    22739 HQZ
    ZINC000205191295    		 4 C3 H11 B N O5 S InChI=1S/C3H11BNO5S/c1-3(
    4(6,7)8)5-11(2,9)10/h3,5-
    8H,1-2H3/q-1/t3-/m1/s1;
    ZTYRBLZCLIYDCR-GSVOUGTGSA-N    		 [B-]([C@@H](C)NS(=O)(=O)C)(O)(O)O; [B-](
    C(C)NS(=O)(=O)C)(O)(O)O; C[CH](N[S](C)(=
    O)=O)[B-](O)(O)O; C[C@@H](N[S](C)(=O)=O)
    [B-](O)(O)O; O=S(=O)(NC([B-](O)(O)O)C)C    		 trihydroxy{(1S)-1-[(methylsulfonyl)amino]ethyl}borate(1-)
    22740 HR0
    CHEMBL4090908    		 1 C11 H7 N5 O InChI=1S/C11H7N5O/c1-6-8(
    5-12)10-14-11(17)7-3-2-4-
    13-9(7)16(10)15-6/h2-4H,1
    H3,(H,14,17);
    FIRSAIIBSBCBTF-UHFFFAOYSA-N    		 Cc1c(c2nc(c3cccnc3n2n1)O)C#N; Cc1nn2c3nc
    ccc3c(O)nc2c1C#N    		 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile
    22741 HR1
    CHEMBL1207787
    ZINC000016052420    		 8 C33 H33 F N2 O5 InChI=1S/C33H33FN2O5/c1-2
    0(2)35-28(17-16-24(37)18-
    25(38)19-29(39)40)30(21-1
    2-14-22(34)15-13-21)31-26
    -10-6-7-11-27(26)36(33(41
    )32(31)35)23-8-4-3-5-9-23
    /h3-15,20,24-25,37-38H,16
    -19H2,1-2H3,(H,39,40)/t24
    -,25-/m1/s1;
    UFHOPRVARZPTSH-JWQCQUIFSA-N    		 CC(C)n1c(c(c-2c1C(=O)N(c3c2cccc3)c4ccccc
    4)c5ccc(cc5)F)CC[C@H](C[C@H](CC(=O)O)O)O
    ; CC(C)n1c(c(c-2c1C(=O)N(c3c2cccc3)c4ccc
    cc4)c5ccc(cc5)F)CCC(CC(CC(=O)O)O)O; CC(C
    )n1c(CC[CH](O)C[CH](O)CC(O)=O)c(c2ccc(F)
    cc2)c3c4ccccc4N(C(=O)c13)c5ccccc5; O=C(O
    )CC(O)CC(O)CCc3c(c2c1c(cccc1)N(C(=O)c2n3
    C(C)C)c4ccccc4)c5ccc(F)cc5; CC(C)n1c(CC[
    C@@H](O)C[C@@H](O)CC(O)=O)c(c2ccc(F)cc2)
    c3c4ccccc4N(C(=O)c13)c5ccccc5    		 (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
    22742 HR2
    CHEMBL521039
    ZINC000016052419    		 8 C30 H35 F N2 O5 InChI=1S/C30H35FN2O5/c1-1
    9(2)33-26(15-14-23(34)17-
    24(35)18-27(36)37)28(20-1
    0-12-21(31)13-11-20)25-9-
    6-16-32(30(38)29(25)33)22
    -7-4-3-5-8-22/h3-5,7-8,10
    -13,19,23-24,34-35H,6,9,1
    4-18H2,1-2H3,(H,36,37)/t2
    3-,24-/m1/s1;
    OMBVEVHRIQULKW-DNQXCXABSA-N    		 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(
    c2ccc(F)cc2)c3CCCN(C(=O)c13)c4ccccc4; CC
    (C)n1c(CC[CH](O)C[CH](O)CC(O)=O)c(c2ccc(
    F)cc2)c3CCCN(C(=O)c13)c4ccccc4; CC(C)n1c
    (c(c2c1C(=O)N(CCC2)c3ccccc3)c4ccc(cc4)F)
    CCC(CC(CC(=O)O)O)O; O=C(O)CC(O)CC(O)CCc1
    c(c3c(n1C(C)C)C(=O)N(c2ccccc2)CCC3)c4ccc
    (F)cc4; CC(C)n1c(c(c2c1C(=O)N(CCC2)c3ccc
    cc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O
    )O    		 (3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
    22743 HR3 1 C15 H14 N2 O5 InChI=1S/C15H14N2O5/c1-22
    -10-4-2-9(3-5-10)7-16-13-
    8-17-12(15(20)21)6-11(13)
    14(18)19/h2-6,8,16H,7H2,1
    H3,(H,18,19)(H,20,21);
    FRXQENHLNWKEGR-UHFFFAOYSA-N    		 COc1ccc(CNc2cnc(cc2C(O)=O)C(O)=O)cc1; CO
    c1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O    		 5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid
    22744 HR4 2 C17 H17 F N5 O5 P S2 InChI=1S/C17H17FN5O5PS2/c
    18-9-3-1-8(2-4-9)6-31-17-
    22-11-14(19)20-7-21-15(11
    )23(17)16-12(24)13-10(27-
    16)5-26-29(25,30)28-13/h1
    -4,7,10,12-13,16,24H,5-6H
    2,(H,25,30)(H2,19,20,21)/
    t10-,12-,13-,16-,29+/m1/s
    1;
    HQPHMVRGPVFPCD-BVGSDMBWSA-N    		 c1cc(ccc1CSc2nc3c(ncnc3n2C4C(C5C(O4)COP(
    =O)(O5)S)O)N)F; Nc1ncnc2n([C@@H]3O[C@@H]
    4CO[P@@](S)(=O)O[C@H]4[C@H]3O)c(SCc5ccc(
    F)cc5)nc12; Fc1ccc(cc1)CSc3nc2c(ncnc2n3C
    5OC4COP(=O)(OC4C5O)S)N; Nc1ncnc2n([CH]3O
    [CH]4CO[P](S)(=O)O[CH]4[CH]3O)c(SCc5ccc(
    F)cc5)nc12; c1cc(ccc1CSc2nc3c(ncnc3n2[C@
    H]4[C@@H]([C@H]5[C@H](O4)CO[P@@](=O)(O5)
    S)O)N)F    		 (2S,4aR,6R,7R,7aS)-6-{6-amino-8-[(4-fluorobenzyl)sulfanyl]-9H-purin-9-yl}-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide
    22745 HR5
    ZINC000026143362    		 9 C11 H17 N3 O InChI=1S/C11H17N3O/c1-8-1
    0(7-13-14(8)2)11(15)12-6-
    9-4-3-5-9/h7,9H,3-6H2,1-2
    H3,(H,12,15);
    WFWUJGIABNGBBR-UHFFFAOYSA-N    		 Cc1c(cnn1C)C(=O)NCC2CCC2; Cn1ncc(C(=O)NC
    C2CCC2)c1C    		 ~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide
    22746 HR6 2 C17 H18 N5 O5 P S2 InChI=1S/C17H18N5O5PS2/c1
    8-14-11-15(20-8-19-14)22(
    17(21-11)30-7-9-4-2-1-3-5
    -9)16-12(23)13-10(26-16)6
    -25-28(24,29)27-13/h1-5,8
    ,10,12-13,16,23H,6-7H2,(H
    ,24,29)(H2,18,19,20)/t10-
    ,12-,13-,16-,28+/m1/s1;
    CXSXQZZDDPUUEA-LXJUGQNYSA-N    		 Nc1ncnc2n([CH]3O[CH]4CO[P](S)(=O)O[CH]4[
    CH]3O)c(SCc5ccccc5)nc12; Nc1ncnc2n([C@@H
    ]3O[C@@H]4CO[P@@](S)(=O)O[C@H]4[C@H]3O)c
    (SCc5ccccc5)nc12; O=P4(OCC5OC(n2c3ncnc(N
    )c3nc2SCc1ccccc1)C(O)C5O4)S; c1ccc(cc1)C
    Sc2nc3c(ncnc3n2C4C(C5C(O4)COP(=O)(O5)S)O
    )N; c1ccc(cc1)CSc2nc3c(ncnc3n2[C@H]4[C@@
    H]([C@H]5[C@H](O4)CO[P@@](=O)(O5)S)O)N    		 (2S,4aR,6R,7R,7aS)-6-[6-amino-8-(benzylsulfanyl)-9H-purin-9-yl]-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide
    22747 HR7 0 C7 H16 N4 O2 InChI=1S/C7H16N4O2/c8-5(4
    -6(12)13)2-1-3-11-7(9)10/
    h5H,1-4,8H2,(H,12,13)(H4,
    9,10,11);
    VNWXCGKMEWXYBP-UHFFFAOYSA-N    		 C(CC(CC(=O)O)N)CN=C(N)N; N[CH](CCCN=C(N)
    N)CC(O)=O; N[C@@H](CCCN=C(N)N)CC(O)=O; O
    =C(O)CC(N)CCC/N=C(\N)N; C(C[C@@H](CC(=O)
    O)N)CN=C(N)N    		 (3S)-3-amino-6-[(diaminomethylidene)amino]hexanoic acid;
    BETA-HOMOARGININE
    22748 HR8
    CHEMBL1384687
    ZINC000000442484    		 6 C12 H16 Cl N O2 InChI=1S/C12H16ClNO2/c1-8
    (2)7-14-12(15)10-6-9(13)4
    -5-11(10)16-3/h4-6,8H,7H2
    ,1-3H3,(H,14,15);
    GSFUSGKNYXRUQM-UHFFFAOYSA-N    		 CC(C)CNC(=O)c1cc(ccc1OC)Cl; COc1ccc(Cl)c
    c1C(=O)NCC(C)C    		 5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide
    22749 HR9 1 C17 H18 N2 O4 InChI=1S/C17H18N2O4/c20-1
    6(21)13-10-14(17(22)23)19
    -11-15(13)18-9-5-4-8-12-6
    -2-1-3-7-12/h1-3,6-7,10-1
    1,18H,4-5,8-9H2,(H,20,21)
    (H,22,23);
    QFSOXITYRWOMFC-UHFFFAOYSA-N    		 OC(=O)c1cc(C(O)=O)c(NCCCCc2ccccc2)cn1; c
    1ccc(cc1)CCCCNc2cnc(cc2C(=O)O)C(=O)O    		 5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid
    22750 HRA
    CHEMBL4756476    		 1 C25 H23 Cl N4 O4 InChI=1S/C25H23ClN4O4/c26
    -21-10-17(34-16-4-2-1-3-5
    -16)8-9-19(21)23(32)20-11
    -27-24-22(20)25(29-14-28-
    24)30-15-6-7-18(12-31)33-
    13-15/h1-5,8-11,14-15,18,
    31H,6-7,12-13H2,(H2,27,28
    ,29,30)/t15-,18+/m1/s1;
    JSFCZQSJQXFJDS-QAPCUYQASA-N    		 c1ccc(cc1)Oc2ccc(c(c2)Cl)C(=O)c3c[nH]c4c
    3c(ncn4)NC5CCC(OC5)CO; OC[CH]1CC[CH](CO1
    )Nc2ncnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4
    Cl)c23; OC[C@@H]1CC[C@H](CO1)Nc2ncnc3[nH
    ]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23; c1cc
    c(cc1)Oc2ccc(c(c2)Cl)C(=O)c3c[nH]c4c3c(n
    cn4)N[C@@H]5CC[C@H](OC5)CO; C1CC(CO)OCC1
    Nc5c4c(C(c3ccc(Oc2ccccc2)cc3Cl)=O)cnc4nc
    n5    		 1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-D-erythro-hexitol
    22751 HRB
    ZINC000016051929    		 1 C17 H27 N3 O5 InChI=1S/C17H27N3O5/c1-3-
    4-5-6-15-14(8-16(22)25-15
    )20-9-12(18-10-20)7-13(17
    (23)24)19-11(2)21/h9-10,1
    3-16,22H,3-8H2,1-2H3,(H,1
    9,21)(H,23,24)/t13-,14-,1
    5+,16+/m0/s1;
    INPAKWNFLOQYEI-CAOSSQGBSA-N    		 CCCCCC1C(CC(O1)O)n2cc(nc2)CC(C(=O)O)NC(=
    O)C; CCCCC[C@H]1O[C@@H](O)C[C@@H]1n2cnc(
    C[C@H](NC(C)=O)C(O)=O)c2; CCCCC[C@@H]1[C
    @H](C[C@@H](O1)O)n2cc(nc2)C[C@@H](C(=O)O
    )NC(=O)C; CCCCC[CH]1O[CH](O)C[CH]1n2cnc(
    C[CH](NC(C)=O)C(O)=O)c2; O=C(O)C(NC(=O)C
    )Cc1ncn(c1)C2C(OC(O)C2)CCCCC    		 N-ACETYL-1-[(2R,3S,5R)-5-HYDROXY-2-PENTYLTETRAHYDROFURAN-3-YL]-L-HISTIDINE
    22752 HRC
    CHEMBL2440208
    ZINC000000193455    		 3 C14 H15 N O3 S InChI=1S/C14H15NO3S/c1-10
    -8-12(16)9-11(2)14(10)15-
    19(17,18)13-6-4-3-5-7-13/
    h3-9,15-16H,1-2H3;
    GLDVWHQVGHPIFH-UHFFFAOYSA-N    		 Cc1cc(O)cc(C)c1N[S](=O)(=O)c2ccccc2; O=S
    (=O)(Nc1c(cc(O)cc1C)C)c2ccccc2; Cc1cc(cc
    (c1NS(=O)(=O)c2ccccc2)C)O    		 N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide
    22753 HRD
    ZINC000095921287    		 1 C11 H12 N6 O InChI=1S/C11H12N6O/c1-12-
    10-15-7-3-5-6(4-8(7)16-10
    )14-11(13-2)17-9(5)18/h3-
    4H,1-2H3,(H2,12,15,16)(H2
    ,13,14,17,18);
    YOTQNVNIJNKFAK-UHFFFAOYSA-N    		 CNC1=Nc2cc3nc(NC)[nH]c3cc2C(=O)N1; CNc1[
    nH]c2cc3c(cc2n1)N=C(NC3=O)NC; O=C2c3cc1n
    c(nc1cc3N=C(NC)N2)NC    		 2,6-bis(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
    22754 HRE
    CHEMBL3691779
    ZINC000206095052    		 4 C27 H25 Cl N8 O3 InChI=1S/C27H25ClN8O3/c1-
    14(2)22-20-21(33-36(22)19
    -13-31-27(34(3)4)32-25(19
    )39-5)26(38)35(18-10-17(2
    8)12-30-24(18)37)23(20)16
    -8-6-15(11-29)7-9-16/h6-1
    0,12-14,23H,1-5H3,(H,30,3
    7)/t23-/m0/s1;
    VFMRTUQQYDQOGC-QHCPKHFHSA-N    		 COc1nc(ncc1n2nc3C(=O)N([CH](c4ccc(cc4)C#
    N)c3c2C(C)C)C5=CC(=CNC5=O)Cl)N(C)C; COc1
    nc(ncc1n2nc3C(=O)N([C@@H](c4ccc(cc4)C#N)
    c3c2C(C)C)C5=CC(=CNC5=O)Cl)N(C)C; CC(C)c
    1c2c(nn1c3cnc(nc3OC)N(C)C)C(=O)N(C2c4ccc
    (cc4)C#N)C5=CC(=CNC5=O)Cl; CC(C)c1c2c(nn
    1c3cnc(nc3OC)N(C)C)C(=O)N([C@H]2c4ccc(cc
    4)C#N)C5=CC(=CNC5=O)Cl    		 4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile
    22755 HRF 1 C14 H12 N2 O4 InChI=1S/C14H12N2O4/c17-1
    3(18)10-6-11(14(19)20)16-
    8-12(10)15-7-9-4-2-1-3-5-
    9/h1-6,8,15H,7H2,(H,17,18
    )(H,19,20);
    FQCUGQSKLCNUQT-UHFFFAOYSA-N    		 c1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O; OC(=
    O)c1cc(C(O)=O)c(NCc2ccccc2)cn1    		 5-(benzylamino)pyridine-2,4-dicarboxylic acid
    22756 HRG
    CHEMBL589752
    DB03974
    ZINC000001529320    		 9 C7 H16 N4 O2 InChI=1S/C7H16N4O2/c8-5(6
    (12)13)3-1-2-4-11-7(9)10/
    h5H,1-4,8H2,(H,12,13)(H4,
    9,10,11)/t5-/m0/s1;
    QUOGESRFPZDMMT-YFKPBYRVSA-N    		 C(CCNC(=N)N)CC(C(=O)O)N; C(CCNC(=N)N)C[C
    @@H](C(=O)O)N; N[CH](CCCCNC(N)=N)C(O)=O;
    O=C(O)C(N)CCCCNC(=[N@H])N; N[C@@H](CCCC
    NC(N)=N)C(O)=O    		 L-HOMOARGININE
    22757 HRH 1 C21 H18 Cl2 F N3 O InChI=1S/C21H18Cl2FN3O/c1
    -10(2)18-16-19(26-25-18)2
    1(28)27(15-6-4-5-14(23)17
    (15)24)20(16)13-8-7-12(22
    )9-11(13)3/h4-10,20H,1-3H
    3,(H,25,26)/t20-/m0/s1;
    YQYGNXBWYDOKTG-FQEVSTJZSA-N    		 CC(C)c1n[nH]c2C(=O)N([C@@H](c3ccc(Cl)cc3
    C)c12)c4cccc(Cl)c4F; Cc1cc(ccc1C2c3c([nH
    ]nc3C(C)C)C(=O)N2c4cccc(c4F)Cl)Cl; Cc1cc
    (ccc1[C@H]2c3c([nH]nc3C(C)C)C(=O)N2c4ccc
    c(c4F)Cl)Cl; CC(C)c1n[nH]c2C(=O)N([CH](c
    3ccc(Cl)cc3C)c12)c4cccc(Cl)c4F    		 (4~{S})-5-(3-chloranyl-2-fluoranyl-phenyl)-4-(4-chloranyl-2-methyl-phenyl)-3-propan-2-yl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
    22758 HRI
    ZINC000005759947    		 1 C6 H11 Cl O2 InChI=1S/C6H11ClO2/c1-4(2
    )3-5(7)6(8)9/h4-5H,3H2,1-
    2H3,(H,8,9)/t5-/m1/s1;
    CBQBIPRPIHIKPW-RXMQYKEDSA-N    		 CC(C)CC(C(=O)O)Cl; CC(C)C[CH](Cl)C(O)=O;
    CC(C)C[C@@H](Cl)C(O)=O; ClC(C(=O)O)CC(C
    )C    		 ALPHA-CHLOROISOCAPROIC ACID
    22759 HRJ
    CHEMBL4444029    		 1 C15 H11 N3 O6 InChI=1S/C15H11N3O6/c1-6-
    4-7(13-17-15(23)24-18-13)
    2-3-8(6)9-5-10(19)12(20)1
    1(16-9)14(21)22/h2-5,20H,
    1H3,(H,16,19)(H,21,22)(H,
    17,18,23);
    LUIZNWALJWPSKU-UHFFFAOYSA-N    		 Cc1cc(ccc1C2=CC(=O)C(=C(N2)C(O)=O)O)C3=N
    OC(=O)N3; O=C(O)C=1NC(=CC(C=1O)=O)c2ccc(
    cc2C)C3=NOC(=O)N3; Cc1cc(ccc1C2=CC(=O)C(
    =C(N2)C(=O)O)O)C3=NOC(=O)N3    		 3-hydroxy-6-[2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid
    22760 HRK 1 C20 H27 N3 O9 S InChI=1S/C20H27N3O9S/c24-
    7-11-14(26)13(23-6-10(21-
    22-23)9-4-2-1-3-5-9)16(28
    )19(31-11)33-20-18(30)17(
    29)15(27)12(8-25)32-20/h1
    -6,11-20,24-30H,7-8H2/t11
    -,12-,13+,14+,15-,16-,17+
    ,18-,19+,20+/m1/s1;
    OARGKFGHNLEIQR-CPMKIQJPSA-N    		 OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH](
    [CH]2O)n3cc(nn3)c4ccccc4)[CH](O)[CH](O)[
    CH]1O; c1ccc(cc1)c2cn(nn2)C3C(C(OC(C3O)S
    C4C(C(C(C(O4)CO)O)O)O)CO)O; OC[C@H]1O[C@
    @H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@
    H]2O)n3cc(nn3)c4ccccc4)[C@H](O)[C@@H](O)
    [C@@H]1O; c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]
    ([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@
    H]([C@@H]([C@H](O4)CO)O)O)O)CO)O    		 (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol
    22761 HRL 1 C15 H14 N2 O5 InChI=1S/C15H14N2O5/c1-22
    -13-5-3-2-4-9(13)7-16-12-
    8-17-11(15(20)21)6-10(12)
    14(18)19/h2-6,8,16H,7H2,1
    H3,(H,18,19)(H,20,21);
    RQJVIWJRWILRPU-UHFFFAOYSA-N    		 COc1ccccc1CNc2cnc(cc2C(O)=O)C(O)=O; COc1
    ccccc1CNc2cnc(cc2C(=O)O)C(=O)O    		 5-((2-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid
    22762 HRM
    CHEMBL269538
    DB07919
    ZINC000018847046    		 9 C13 H12 N2 O InChI=1S/C13H12N2O/c1-8-1
    3-11(5-6-14-8)10-4-3-9(16
    -2)7-12(10)15-13/h3-7,15H
    ,1-2H3;
    BXNJHAXVSOCGBA-UHFFFAOYSA-N    		 Cc1c2c(ccn1)c3ccc(cc3[nH]2)OC; COc1ccc2c
    ([nH]c3c(C)nccc23)c1; n3ccc2c1c(cc(OC)cc
    1)nc2c3C    		 7-METHOXY-1-METHYL-9H-BETA-CARBOLINE;
    7-METHOXY-1-METHYL-9H-PYRIDO[3,4-B]INDOL;
    HARMINE
    22763 HRN
    CHEMBL5180980    		 3 C42 H37 Cl3 N6 O5 InChI=1S/C42H37Cl3N6O5/c1
    -24(30-11-9-27(43)21-32(3
    0)45)51-23-46-37(25-6-3-2
    -4-7-25)39(51)36-31-12-10
    -28(44)22-33(31)47-38(36)
    40(52)48-34-20-26(41(53)5
    4)8-13-35(34)49-17-14-29(
    15-18-49)50-16-5-19-56-42
    (50)55/h2-4,6-13,20-24,29
    ,47H,5,14-19H2,1H3,(H,48,
    52)(H,53,54)/t24-/m0/s1;
    GSVXCPWDMIREAJ-DEOSSOPVSA-N    		 CC(c1ccc(cc1Cl)Cl)n2cnc(c2c3c4ccc(cc4[nH
    ]c3C(=O)Nc5cc(ccc5N6CCC(CC6)N7CCCOC7=O)C
    (=O)O)Cl)c8ccccc8; C[CH](n1cnc(c2ccccc2)
    c1c3c([nH]c4cc(Cl)ccc34)C(=O)Nc5cc(ccc5N
    6CCC(CC6)N7CCCOC7=O)C(O)=O)c8ccc(Cl)cc8C
    l; C[C@H](n1cnc(c2ccccc2)c1c3c([nH]c4cc(
    Cl)ccc34)C(=O)Nc5cc(ccc5N6CCC(CC6)N7CCCO
    C7=O)C(O)=O)c8ccc(Cl)cc8Cl; C[C@@H](c1cc
    c(cc1Cl)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O
    )Nc5cc(ccc5N6CCC(CC6)N7CCCOC7=O)C(=O)O)C
    l)c8ccccc8    		 3-[[6-chloranyl-3-[3-[(1~{S})-1-(2,4-dichlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]carbonylamino]-4-[4-(2-oxidanylidene-1,3-oxazinan-3-yl)piperidin-1-yl]benzoic acid
    22764 HRO
    ZINC000001663997    		 2 C5 H3 Cl N2 O4 InChI=1S/C5H3ClN2O4/c6-1-
    2(4(10)11)7-5(12)8-3(1)9/
    h(H,10,11)(H2,7,8,9,12);
    AJYLJEAORVKEHN-UHFFFAOYSA-N    		 OC(=O)C1=C(Cl)C(=O)NC(=O)N1; O=C1NC(C(=O
    )O)=C(Cl)C(=O)N1; C1(=C(NC(=O)NC1=O)C(=O
    )O)Cl    		 5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid;
    5-Chloroorotic acid
    22765 HRP
    ZINC000000895459    		 1 C11 H12 N2 O3 InChI=1S/C11H12N2O3/c12-9
    (11(15)16)3-6-5-13-10-2-1
    -7(14)4-8(6)10/h1-2,4-5,9
    ,13-14H,3,12H2,(H,15,16)/
    t9-/m1/s1;
    LDCYZAJDBXYCGN-SECBINFHSA-N    		 N[CH](Cc1c[nH]c2ccc(O)cc12)C(O)=O; c1cc2
    c(cc1O)c(c[nH]2)CC(C(=O)O)N; c1cc2c(cc1O
    )c(c[nH]2)C[C@H](C(=O)O)N; N[C@H](Cc1c[n
    H]c2ccc(O)cc12)C(O)=O; O=C(O)C(N)Cc2c1cc
    (O)ccc1nc2    		 5-HYDROXY-L-TRYPTOPHAN
    22766 HRQ
    CHEMBL5267194    		 4 C21 H23 N3 O2 InChI=1S/C21H23N3O2/c1-14
    -6-8-16(9-7-14)24-11-10-1
    5(13-24)23-21(25)18-12-22
    -20-17(18)4-3-5-19(20)26-
    2/h3-9,12,15,22H,10-11,13
    H2,1-2H3,(H,23,25)/t15-/m
    0/s1;
    GMGMKERXGPBQDO-HNNXBMFYSA-N    		 Cc1ccc(cc1)N2CCC(C2)NC(=O)c3c[nH]c4c3ccc
    c4OC; COc1cccc2c1[nH]cc2C(=O)N[C@H]3CCN(
    C3)c4ccc(C)cc4; Cc1ccc(cc1)N2CC[C@@H](C2
    )NC(=O)c3c[nH]c4c3cccc4OC; COc1cccc2c1[n
    H]cc2C(=O)N[CH]3CCN(C3)c4ccc(C)cc4    		 7-methoxy-~{N}-[(3~{S})-1-(4-methylphenyl)pyrrolidin-3-yl]-1~{H}-indole-3-carboxamide
    22767 HRR 1 C17 H16 N2 O4 InChI=1S/C17H16N2O4/c20-1
    6(21)13-7-14(17(22)23)19-
    9-15(13)18-8-11-3-1-2-4-1
    2(11)10-5-6-10/h1-4,7,9-1
    0,18H,5-6,8H2,(H,20,21)(H
    ,22,23);
    JUYCLGIITHNPEH-UHFFFAOYSA-N    		 c1ccc(c(c1)CNc2cnc(cc2C(=O)O)C(=O)O)C3CC
    3; OC(=O)c1cc(C(O)=O)c(NCc2ccccc2C3CC3)c
    n1    		 5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid
    22768 HRS
    CHEMBL4445540
    ZINC000004732703    		 1 C10 H7 Br N2 O4 S2 InChI=1S/C10H7BrN2O4S2/c1
    1-9-5-6-10(18-9)19(16,17)
    12-7-1-3-8(4-2-7)13(14)15
    /h1-6,12H;
    XAKPASIXPSBWRB-UHFFFAOYSA-N    		 c1(sc(cc1)Br)S(Nc2ccc(cc2)N(=O)=O)(=O)=O
    ; c1cc(ccc1NS(=O)(=O)c2ccc(s2)Br)N(=O)=O
    ; Brc1sc(cc1)[S](=O)(=O)Nc2ccc(cc2)[N](=
    O)=O    		 5-bromo-N-(4-nitrophenyl)thiophene-2-sulfonamide
    22769 HRT
    CHEMBL5206050    		 2 C28 H27 Cl2 N5 O3 InChI=1S/C28H27Cl2N5O3/c1
    -15(2)34-24-22(32-25(34)2
    1-14-31-28(38-5)33-26(21)
    37-4)27(36)35(16(3)18-7-6
    -8-20(30)13-18)23(24)17-9
    -11-19(29)12-10-17/h6-16,
    23H,1-5H3/t16-,23-/m0/s1;
    PYBJKPRTJDONOS-HJPURHCSSA-N    		 COc1ncc(c(OC)n1)c2nc3C(=O)N([C@@H](C)c4c
    ccc(Cl)c4)[C@@H](c5ccc(Cl)cc5)c3n2C(C)C;
    C[C@@H](c1cccc(c1)Cl)N2[C@H](c3c(nc(n3C
    (C)C)c4cnc(nc4OC)OC)C2=O)c5ccc(cc5)Cl; C
    Oc1ncc(c(OC)n1)c2nc3C(=O)N([CH](C)c4cccc
    (Cl)c4)[CH](c5ccc(Cl)cc5)c3n2C(C)C; CC(C
    )n1c2c(nc1c3cnc(nc3OC)OC)C(=O)N(C2c4ccc(
    cc4)Cl)C(C)c5cccc(c5)Cl    		 (4~{S})-4-(4-chlorophenyl)-5-[(1~{S})-1-(3-chlorophenyl)ethyl]-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one
    22770 HRU 1 C12 H22 N2 Ru InChI=1S/C10H14.C2H8N2.Ru
    /c1-8(2)10-6-4-9(3)5-7-10
    ;3-1-2-4;/h4-8H,1-3H3;1-4
    H2;/q;;;
    ONRAUXPVDLKQOB-UHFFFAOYSA-N    		 C7[NH2+][Ru]65432(C1C6C5(C4C3C12C(C)C)C)
    [NH2+]C7; [Ru]|1|2|3|4|5|6(|NCCN|1)|C7C|
    2C|3(C|4C|5C|67C)C(C)C; CC(C)C12C3[Ru]14
    567(C3C4(C5C62)C)[NH2+]CC[NH2+]7    		 (ethane-1,2-diamine-kappa~2~N,N')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]ruthenium
    22771 HRV 4 C18 H14 Cl2 F4 N4 O2 InChI=1S/C18H14Cl2F4N4O2/
    c1-17(16(18(22,23)24)30-7
    -13(25)28-17)10-5-9(2-3-1
    2(10)21)27-15(29)14-11(20
    )4-8(19)6-26-14/h2-6,16H,
    7H2,1H3,(H2,25,28)(H,27,2
    9)/t16-,17-/m1/s1;
    VLILPGWCHAEKPY-IAGOWNOFSA-N    		 CC1(C(OCC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=
    O)c3c(cc(cn3)Cl)Cl; C[C@]1([C@@H](OCC(=N
    1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3c(cc(cn3
    )Cl)Cl; CC3(c1cc(ccc1F)NC(c2ncc(Cl)cc2Cl
    )=O)C(C(F)(F)F)OCC(N)=N3; C[C@@]1(N=C(N)
    CO[C@H]1C(F)(F)F)c2cc(NC(=O)c3ncc(Cl)cc3
    Cl)ccc2F; C[C]1(N=C(N)CO[CH]1C(F)(F)F)c2
    cc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F    		 N-{3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorophenyl}-3,5-dichloropyridine-2-carboxamide
    22772 HRW
    ZINC000001122391    		 1 C19 H17 F3 N4 O S2 InChI=1S/C19H17F3N4OS2/c1
    -11-6-12(2)25-18(24-11)28
    -10-16(27)26-17-23-9-15(2
    9-17)8-13-4-3-5-14(7-13)1
    9(20,21)22/h3-7,9H,8,10H2
    ,1-2H3,(H,23,26,27);
    WWJGDLQISVVNRI-UHFFFAOYSA-N    		 Cc1cc(nc(n1)SCC(=O)N=C2NC=C(S2)Cc3cccc(c
    3)C(F)(F)F)C; Cc1cc(nc(n1)SCC(=O)/N=C\2/
    NC=C(S2)Cc3cccc(c3)C(F)(F)F)C; O=C(\N=C1
    /SC(=CN1)Cc2cccc(c2)C(F)(F)F)CSc3nc(cc(n
    3)C)C; Cc1cc(C)nc(SCC(=O)N=C2NC=C(Cc3ccc
    c(c3)C(F)(F)F)S2)n1    		 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[(2Z)-5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2(3H)-ylidene]acetamide
    22773 HRX
    CHEMBL293522    		 4 C8 H13 N O7 P2 InChI=1S/C8H13NO7P2/c10-8
    (17(11,12)13,18(14,15)16)
    4-3-7-2-1-5-9-6-7/h1-2,5-
    6,10H,3-4H2,(H2,11,12,13)
    (H2,14,15,16);
    ILROXFQHACCDLA-UHFFFAOYSA-N    		 c1cc(cnc1)CCC(O)(P(=O)(O)O)P(=O)(O)O; O=
    P(O)(O)C(O)(CCc1cccnc1)P(=O)(O)O; OC(CCc
    1cccnc1)([P](O)(O)=O)[P](O)(O)=O    		 [1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid)
    22774 HRY
    CHEMBL4288569    		 2 C29 H34 Cl N7 O InChI=1S/C29H34ClN7O/c1-3
    4(2)11-12-36-13-15-37(16-
    14-36)29-32-26-9-7-22(23-
    8-10-27(38)35(3)20-23)18-
    25(26)28(33-29)31-19-21-5
    -4-6-24(30)17-21/h4-10,17
    -18,20H,11-16,19H2,1-3H3,
    (H,31,32,33);
    POKZINYHLOHGEB-UHFFFAOYSA-N    		 CN1C=C(C=CC1=O)c2ccc3c(c2)c(nc(n3)N4CCN(
    CC4)CCN(C)C)NCc5cccc(c5)Cl; CN(C)CCN1CCN
    (CC1)c2nc(NCc3cccc(Cl)c3)c4cc(ccc4n2)C5=
    CN(C)C(=O)C=C5; n3c2ccc(C=1C=CC(=O)N(C=1
    )C)cc2c(nc3N4CCN(CC4)CCN(C)C)NCc5cc(Cl)c
    cc5    		 5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1H)-one
    22775 HRZ
    CHEMBL662
    ZINC000008737707    		 9 C5 H5 N O InChI=1S/C5H5NO/c7-5-3-1-
    2-4-6-5/h1-4H,(H,6,7);
    UBQKCCHYAOITMY-UHFFFAOYSA-N    		 O=C1NC=CC=C1; C1=CC(=O)NC=C1 1~{H}-pyridin-2-one
    22776 HS0
    CHEMBL5219838
    ZINC000014983010    		 2 C7 H6 Br N3 InChI=1S/C7H6BrN3/c8-4-1-
    6(9)5-3-10-11-7(5)2-4/h1-
    3H,9H2,(H,10,11);
    JORDVWJEXMDSBI-UHFFFAOYSA-N    		 c1c(cc2c(c1N)cn[nH]2)Br; Nc1cc(Br)cc2[nH
    ]ncc12    		 6-bromanyl-1~{H}-indazol-4-amine
    22777 HS1
    ZINC000039715704    		 1 C12 H16 N2 O7 S InChI=1S/C12H16N2O7S/c1-2
    1-10-2-4-11(5-3-10)22(19,
    20)14(6-9(16)8-15)7-12(17
    )13-18/h2-5,9,15-16H,6-8H
    2,1H3/t9-/m0/s1;
    VGUSUBJRLNGCHT-VIFPVBQESA-N    		 COc1ccc(cc1)[S](=O)(=O)N(C[CH](O)CO)CC(=
    O)N=O; O=NC(=O)CN(S(=O)(=O)c1ccc(OC)cc1)
    CC(O)CO; COc1ccc(cc1)S(=O)(=O)N(CC(CO)O)
    CC(=O)N=O; COc1ccc(cc1)S(=O)(=O)[N@@](C[
    C@@H](CO)O)CC(=O)N=O; COc1ccc(cc1)[S](=O
    )(=O)N(C[C@H](O)CO)CC(=O)N=O    		 2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonyl-amino]-N-oxo-ethanamide;
    (S)-N-(2,3-dihydroxypropyl)-4-methoxy-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
    22778 HS3
    ZINC000039715705    		 1 C10 H12 N2 O6 S InChI=1S/C10H12N2O6S/c1-1
    8-7-2-4-8(5-3-7)19(16,17)
    12-9(6-13)10(14)11-15/h2-
    5,9,12-13H,6H2,1H3/t9-/m1
    /s1;
    LPGVJAGNVVNWCU-SECBINFHSA-N    		 COc1ccc(cc1)[S](=O)(=O)N[C@H](CO)C(=O)N=
    O; COc1ccc(cc1)S(=O)(=O)NC(CO)C(=O)N=O;
    O=NC(=O)C(NS(=O)(=O)c1ccc(OC)cc1)CO; COc
    1ccc(cc1)S(=O)(=O)N[C@H](CO)C(=O)N=O; CO
    c1ccc(cc1)[S](=O)(=O)N[CH](CO)C(=O)N=O    		 (2R)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-oxo-propanamide;
    (R)-N-(3-hydroxy-1-nitroso-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
    22779 HS4
    CHEMBL550148    		 1 C14 H14 N2 O4 S InChI=1S/C14H14N2O4S/c17-
    14(16-18)10-15-21(19,20)1
    3-8-6-12(7-9-13)11-4-2-1-
    3-5-11/h1-9,15,18H,10H2,(
    H,16,17);
    NKGRTRASISLCCZ-UHFFFAOYSA-N    		 O=NC(=O)CNS(=O)(=O)c2ccc(c1ccccc1)cc2; c
    1ccc(cc1)c2ccc(cc2)S(=O)(=O)NCC(=O)NO; O
    NC(=O)CN[S](=O)(=O)c1ccc(cc1)c2ccccc2    		 N-oxidanyl-2-[(4-phenylphenyl)sulfonylamino]ethanamide
    22780 HS5
    ZINC000039715707    		 1 C10 H11 F N2 O5 S InChI=1S/C10H11FN2O5S/c11
    -8-1-3-9(4-2-8)19(17,18)1
    3(5-6-14)7-10(15)12-16/h1
    -4,14H,5-7H2;
    XNNFYDODDRKLAF-UHFFFAOYSA-N    		 c1cc(ccc1F)S(=O)(=O)N(CCO)CC(=O)N=O; OCC
    N(CC(=O)N=O)[S](=O)(=O)c1ccc(F)cc1; O=S(
    =O)(c1ccc(F)cc1)N(CC(=O)N=O)CCO    		 2-[(4-fluorophenyl)sulfonyl-(2-hydroxyethyl)amino]-N-oxo-ethanamide;
    4-fluoro-N-(2-hydroxyethyl)-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
    22781 HS6
    DB07921
    ZINC000039715708    		 1 C8 H7 F N2 O4 S InChI=1S/C8H7FN2O4S/c9-6-
    1-3-7(4-2-6)16(14,15)10-5
    -8(12)11-13/h1-4,10H,5H2;
    ATANXIMWDMRRIO-UHFFFAOYSA-N    		 Fc1ccc(cc1)[S](=O)(=O)NCC(=O)N=O; c1cc(c
    cc1F)S(=O)(=O)NCC(=O)N=O; O=S(=O)(c1ccc(
    F)cc1)NCC(=O)N=O    		 2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide;
    4-fluoro-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
    22782 HS7
    DB07922
    ZINC000039715795    		 1 C8 H8 N2 O4 S InChI=1S/C8H8N2O4S/c11-8(
    10-12)6-9-15(13,14)7-4-2-
    1-3-5-7/h1-5,9H,6H2;
    LBEMJFIVKDOIBO-UHFFFAOYSA-N    		 c1ccc(cc1)S(=O)(=O)NCC(=O)N=O; O=NC(=O)C
    N[S](=O)(=O)c1ccccc1; O=S(=O)(NCC(=O)N=O
    )c1ccccc1    		 N-oxo-2-(phenylsulfonylamino)ethanamide;
    N-(2-nitroso-2-oxoethyl)benzenesulfonamide
    22783 HS8 0 C6 H10 N3 O5 S InChI=1S/C6H9N3O5S/c7-5(6
    (10)11)1-4-2-9(3-8-4)15(1
    2,13)14/h2-3,5H,1,7H2,(H,
    10,11)(H,12,13,14)/p+1/t5
    -/m0/s1;
    ZAZULAQGGKFKSM-YFKPBYRVSA-O    		 N[C@@H](Cc1cn(c[nH+]1)[S](O)(=O)=O)C(O)=
    O; c1c([nH+]cn1S(=O)(=O)O)C[C@@H](C(=O)O
    )N; c1c([nH+]cn1S(=O)(=O)O)CC(C(=O)O)N;
    O=S(=O)(O)n1cc([nH+]c1)CC(C(=O)O)N; N[CH
    ](Cc1cn(c[nH+]1)[S](O)(=O)=O)C(O)=O    		 3-(1-sulfo-1H-imidazol-3-ium-4-yl)-L-alanine
    22784 HS9
    ZINC000058632112    		 0 C7 H12 N4 O InChI=1S/C7H12N4O/c1-9-6(
    7(8)12)2-5-3-10-4-11-5/h3
    -4,6,9H,2H2,1H3,(H2,8,12)
    (H,10,11)/t6-/m0/s1;
    IKHTZFHDCRBHBJ-LURJTMIESA-N    		 O=C(N)C(NC)Cc1ncnc1; CN[CH](Cc1c[nH]cn1)
    C(N)=O; CN[C@@H](Cc1c[nH]cn1)C(=O)N; CN[
    C@@H](Cc1c[nH]cn1)C(N)=O; CNC(Cc1c[nH]cn
    1)C(=O)N    		 N-ALPHA-METHYL-L-HISTIDINAMIDE;
    N-METHYL-L-HISTIDINAMIDE
    22785 HSA
    DB03997
    ZINC000002042976    		 14 C6 H12 N3 O4 P InChI=1S/C6H12N3O4P/c7-5(
    3-13-14(10,11)12)1-6-2-8-
    4-9-6/h2,4-5H,1,3,7H2,(H,
    8,9)(H2,10,11,12)/t5-/m0/
    s1;
    CWNDERHTHMWBSI-YFKPBYRVSA-N    		 c1c(nc[nH]1)CC(COP(=O)(O)O)N; N[C@H](CO[
    P](O)(O)=O)Cc1c[nH]cn1; N[CH](CO[P](O)(O
    )=O)Cc1c[nH]cn1; O=P(O)(O)OCC(N)Cc1ncnc1    		 PHOSPHORIC ACID MONO-[2-AMINO-3-(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
    22786 HSC 4 C31 H50 N7 O18 P3 S InChI=1S/C31H54N7O18P3S/c
    1-4-5-6-7-8-9-19(39)14-22
    (41)60-13-12-33-21(40)10-
    11-34-29(44)26(43)31(2,3)
    16-53-59(50,51)56-58(48,4
    9)52-15-20-25(55-57(45,46
    )47)24(42)30(54-20)38-18-
    37-23-27(32)35-17-36-28(2
    3)38/h17-20,24-26,30,39,4
    2-43H,4-16H2,1-3H3,(H,33,
    40)(H,34,44)(H,48,49)(H,5
    0,51)(H2,32,35,36)(H2,45,
    46,47)/p-4/t19-,20+,24+,2
    5+,26-,30+/m0/s1;
    HIVSMYZAMUNFKZ-PNPVFPMQSA-J    		 CCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C
    @H](O)C(C)(C)CO[P]([O-])(=O)O[P]([O-])(=
    O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P]([O-
    ])([O-])=O)n2cnc3c(N)ncnc23; CCCCCCC[C@@
    H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)
    COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H](
    [C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(
    [O-])[O-])O)O; CCCCCCC[CH](O)CC(=O)SCCNC
    (=O)CCNC(=O)[CH](O)C(C)(C)CO[P]([O-])(=O
    )O[P]([O-])(=O)OC[CH]1O[CH]([CH](O)[CH]1
    O[P]([O-])([O-])=O)n2cnc3c(N)ncnc23; CCC
    CCCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)CO
    P(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cn
    c3c2ncnc3N)O)OP(=O)([O-])[O-])O)O    		 (S)-3-HYDROXYDECANOYL-COA
    22787 HSD 3 C7 H13 N O4 InChI=1S/C7H13NO4/c8-4-1-
    3(2-9)5(10)7(12)6(4)11/h1
    ,4-7,9-12H,2,8H2/t4-,5-,6
    +,7+/m1/s1;
    XPHOBMULWMGEBA-JWXFUTCRSA-N    		 C1=C(C(C(C(C1N)O)O)O)CO; N[C@@H]1C=C(CO)
    [C@@H](O)[C@H](O)[C@H]1O; C1=C([C@H]([C@
    @H]([C@H]([C@@H]1N)O)O)O)CO; N[CH]1C=C(C
    O)[CH](O)[CH](O)[CH]1O; OC1C(N)C=C(C(O)C
    1O)CO    		 (1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
    22788 HSE
    CHEMBL11722
    DB04193
    ZINC000000895146    		 27 C4 H9 N O3 InChI=1S/C4H9NO3/c5-3(1-2
    -6)4(7)8/h3,6H,1-2,5H2,(H
    ,7,8)/t3-/m0/s1;
    UKAUYVFTDYCKQA-VKHMYHEASA-N    		 C(CO)C(C(=O)O)N; C(CO)[C@@H](C(=O)O)N; O
    =C(O)C(N)CCO; N[CH](CCO)C(O)=O; N[C@@H](
    CCO)C(O)=O    		 L-HOMOSERINE
    22789 HSF
    CHEMBL94809
    DB02035    		 0 C16 H33 F O2 S InChI=1S/C16H33FO2S/c1-2-
    3-4-5-6-7-8-9-10-11-12-13
    -14-15-16-20(17,18)19/h2-
    16H2,1H3;
    QIVFMUVBIHIZAM-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCC[S](F)(=O)=O; FS(=O)(=O)
    CCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCS(=O)(
    =O)F    		 1-HEXADECYLSULFONYL FLUORIDE
    22790 HSG
    DB07923    		 0 C14 H28 O6 InChI=1S/C14H28O6/c1-2-3-
    4-5-6-7-8-19-14-13(18)12(
    17)11(16)10(9-15)20-14/h1
    0-18H,2-9H2,1H3/t10-,11-,
    12-,13+,14+/m0/s1;
    HEGSGKPQLMEBJL-QSLWVIQJSA-N    		 CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O; CCCCCCCC
    O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]
    1O; CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O
    )[CH]1O; CCCCCCCCO[C@H]1[C@@H]([C@H]([C@
    H]([C@@H](O1)CO)O)O)O; O(CCCCCCCC)C1OC(C
    (O)C(O)C1O)CO    		 octyl alpha-L-altropyranoside;
    octyl alpha-L-altroside;
    octyl L-altroside;
    octyl altroside
    22791 HSH
    CHEMBL1222151
    DB07924
    ZINC000053683291    		 0 C14 H28 O6 InChI=1S/C14H28O6/c1-2-3-
    4-5-6-7-8-19-14-13(18)12(
    17)11(16)10(9-15)20-14/h1
    0-18H,2-9H2,1H3/t10-,11+,
    12+,13-,14-/m1/s1;
    HEGSGKPQLMEBJL-MBJXGIAVSA-N    		 CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O; CCCCCCCC
    O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)
    O)O; CCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[
    C@H](O)[C@H]1O; CCCCCCCCO[CH]1O[CH](CO)[
    CH](O)[CH](O)[CH]1O; O(CCCCCCCC)C1OC(C(O
    )C(O)C1O)CO    		 octyl beta-D-galactopyranoside;
    octyl beta-D-galactoside;
    octyl D-galactoside;
    octyl galactoside
    22792 HSI
    ZINC000013679402    		 1 C24 H25 Cl O3 InChI=1S/C24H25ClO3/c1-2-
    3-4-5-6-21(17-23(26)27)24
    (28)20-13-9-18(10-14-20)7
    -8-19-11-15-22(25)16-12-1
    9/h9-16,21H,2-6,17H2,1H3,
    (H,26,27)/t21-/m1/s1;
    UOBFNJXLVSPHNN-OAQYLSRUSA-N    		 CCCCCC[C@H](CC(O)=O)C(=O)c1ccc(cc1)C#Cc2
    ccc(Cl)cc2; CCCCCCC(CC(=O)O)C(=O)c1ccc(c
    c1)C#Cc2ccc(cc2)Cl; CCCCCC[C@H](CC(=O)O)
    C(=O)c1ccc(cc1)C#Cc2ccc(cc2)Cl; Clc2ccc(
    C#Cc1ccc(C(=O)C(CC(=O)O)CCCCCC)cc1)cc2;
    CCCCCC[CH](CC(O)=O)C(=O)c1ccc(cc1)C#Cc2c
    cc(Cl)cc2    		 (3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID;
    (4-(4-(2-(4-CHLOROPHENYL)ETHYNYL)PHENYL))-3-HEXYL-4-OXOBUTANOIC ACID
    22793 HSJ
    ZINC000042784509    		 1 C14 H28 O6 InChI=1S/C14H28O6/c1-2-3-
    4-5-6-7-8-19-14-13(18)12(
    17)11(16)10(9-15)20-14/h1
    0-18H,2-9H2,1H3/t10-,11+,
    12+,13+,14-/m0/s1;
    HEGSGKPQLMEBJL-MRTXSQPYSA-N    		 CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O; CCCCCCCC
    O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O; CCC
    CCCCCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O
    )[C@H]1O; CCCCCCCCO[C@@H]1[C@@H]([C@@H](
    [C@@H]([C@@H](O1)CO)O)O)O; O(CCCCCCCC)C1
    OC(C(O)C(O)C1O)CO    		 octyl beta-L-talopyranoside;
    octyl beta-L-taloside;
    octyl L-taloside;
    octyl taloside
    22794 HSK 0 C6 H9 N3 O3 InChI=1S/C6H9N3O3/c7-5(6(
    10)11)1-4-2-8-3-9(4)12/h2
    -3,5,12H,1,7H2,(H,10,11)/
    t5-/m0/s1;
    MPVGZUDRATZEEE-YFKPBYRVSA-N    		 O=C(O)C(N)Cc1cncn1O; c1c(n(cn1)O)C[C@@H]
    (C(=O)O)N; c1c(n(cn1)O)CC(C(=O)O)N; N[CH
    ](Cc1cncn1O)C(O)=O; N[C@@H](Cc1cncn1O)C(
    O)=O    		 3-hydroxy-L-histidine
    22795 HSL
    CHEMBL1233424
    ZINC000034689286    		 2 C4 H7 N O2 InChI=1S/C4H7NO2/c5-3-1-2
    -7-4(3)6/h3H,1-2,5H2/t3-/
    m0/s1;
    QJPWUUJVYOJNMH-VKHMYHEASA-N    		 C1COC(=O)C1N; C1COC(=O)[C@H]1N; O=C1OCCC
    1N; N[C@H]1CCOC1=O; N[CH]1CCOC1=O    		 HOMOSERINE LACTONE
    22796 HSM
    CHEMBL90
    DB05381
    ZINC000000388081    		 83 C5 H9 N3 InChI=1S/C5H9N3/c6-2-1-5-
    3-7-4-8-5/h3-4H,1-2,6H2,(
    H,7,8);
    NTYJJOPFIAHURM-UHFFFAOYSA-N    		 c1c(nc[nH]1)CCN; NCCc1c[nH]cn1; n1c(cnc1
    )CCN    		 HISTAMINE
    22797 HSO
    DB03811    		 21 C6 H12 N3 O InChI=1S/C6H11N3O/c7-5(3-
    10)1-6-2-8-4-9-6/h2,4-5,1
    0H,1,3,7H2,(H,8,9)/p+1/t5
    -/m0/s1;
    ZQISRDCJNBUVMM-YFKPBYRVSA-O    		 N[C@H](CO)Cc1c[nH]c[nH+]1; N[CH](CO)Cc1c
    [nH]c[nH+]1; c1c([nH+]c[nH]1)CC(CO)N; NC
    (CO)Cc1[nH+]cnc1; c1c([nH+]c[nH]1)C[C@@H
    ](CO)N    		 L-histidinol
    22798 HSP
    DB07925    		 1 C10 H15 O5 P S InChI=1S/C10H15O5PS/c11-9
    -5-1-2-6-10(9)17(15)8-4-3
    -7-16(12,13)14/h1-2,5-6,1
    1H,3-4,7-8H2,(H2,12,13,14
    )/t17-/m1/s1;
    FFIGWLBWBXCVHW-QGZVFWFLSA-N    		 Oc1ccccc1[S@](=O)CCCC[P](O)(O)=O; O=S(c1
    ccccc1O)CCCCP(=O)(O)O; Oc1ccccc1[S](=O)C
    CCC[P](O)(O)=O; c1ccc(c(c1)O)S(=O)CCCCP(
    =O)(O)O; c1ccc(c(c1)O)[S@](=O)CCCCP(=O)(
    O)O    		 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID
    22799 HSQ
    ZINC000008551466    		 3 C8 H15 N O6 InChI=1S/C8H15NO6/c1-3(11
    )9-5-7(13)6(12)4(2-10)15-
    8(5)14/h4-8,10,12-14H,2H2
    ,1H3,(H,9,11)/t4-,5+,6+,7
    +,8+/m0/s1;
    OVRNDRQMDRJTHS-SLBCVNJHSA-N    		 CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O[C@H]
    1O)CO)O)O; CC(=O)N[CH]1[CH](O)O[CH](CO)[
    CH](O)[CH]1O; O=C(NC1C(O)C(O)C(OC1O)CO)C
    ; CC(=O)N[C@H]1[C@H](O)O[C@@H](CO)[C@@H]
    (O)[C@@H]1O; CC(=O)NC1C(C(C(OC1O)CO)O)O    		 2-acetylamino-2-deoxy-alpha-L-idopyranose;
    N-acetyl-alpha-L-idosamine;
    2-acetylamino-2-deoxy-alpha-L-idose;
    2-acetylamino-2-deoxy-L-idose;
    2-acetylamino-2-deoxy-idose;
    2-(acetylamino)-2-deoxy-alpha-L-idopyranose
    22800 HSR 0 C8 H15 N O6 InChI=1/C8H15NO6/c1-3(11)
    9-5-7(13)6(12)4(2-10)15-8
    (5)14/h4-8,10,12-14H,2H2,
    1H3,(H,9,11)/t4-,5-,6-,7-
    ,8-/m1/s1/f/h9H;
    OVRNDRQMDRJTHS-HEEJIFACDV    		 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1
    O)CO)O)O; CC(=O)N[CH]1[CH](O)O[CH](CO)[C
    H](O)[CH]1O; CC(=O)N[C@H]1[C@H](O)O[C@H]
    (CO)[C@@H](O)[C@@H]1O; O=C(NC1C(O)C(O)C(
    OC1O)CO)C; CC(=O)NC1C(C(C(OC1O)CO)O)O    		 2-(acetylamino)-2-deoxy-beta-D-glucopyranose
    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).

    • yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218