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 ";".

    • << < 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 > >>
    Go to page
    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    30601 O4E 1 C10 H12 Br N O S InChI=1S/C10H12BrNOS/c1-1
    2(5-6-14)10(13)8-3-2-4-9(
    11)7-8/h2-4,7,14H,5-6H2,1
    H3;
    FMAHQXRMOYCSAU-UHFFFAOYSA-N    		 CN(CCS)C(=O)c1cccc(c1)Br; CN(CCS)C(=O)c1
    cccc(Br)c1    		 3-bromanyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
    30602 O4F 1 C16 H20 N4 O InChI=1S/C16H20N4O/c1-12-
    10-18-7-2-14(12)20-8-3-13
    (4-9-20)15(21)19-16(11-17
    )5-6-16/h2,7,10,13H,3-6,8
    -9H2,1H3,(H,19,21);
    VADYKWPOUVEKIU-UHFFFAOYSA-N    		 N#CC1(CC1)NC(=O)C1CCN(CC1)c1ccncc1C; Cc1
    cnccc1N2CCC(CC2)C(=O)NC3(CC3)C#N    		 N-(1-cyanocyclopropyl)-1-(3-methylpyridin-4-yl)piperidine-4-carboxamide
    30603 O4G
    CHEMBL1393363
    ZINC000000754049    		 2 C20 H16 N2 O5 InChI=1S/C20H16N2O5/c23-1
    9(13-6-7-16-18(11-13)27-1
    0-9-26-16)21-14-3-1-4-15(
    12-14)22-20(24)17-5-2-8-2
    5-17/h1-8,11-12H,9-10H2,(
    H,21,23)(H,22,24);
    QWGFUNDUGLPNFS-UHFFFAOYSA-N    		 c1cc(cc(c1)NC(=O)c2ccco2)NC(=O)c3ccc4c(c
    3)OCCO4; O=C(Nc1cccc(NC(=O)c2ccc3OCCOc3c
    2)c1)c4occc4; C(Nc1cc(ccc1)NC(c3ccc2OCCO
    c2c3)=O)(c4ccco4)=O    		 N-{3-[(furan-2-carbonyl)amino]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
    30604 O4I 2 C18 H24 Cl2 N2 O3 InChI=1S/C18H24Cl2N2O3/c1
    -18(2,25-15-5-3-14(20)4-6
    -15)17(24)22-9-7-13(8-10-
    22)12-21-16(23)11-19/h3-6
    ,13H,7-12H2,1-2H3,(H,21,2
    3);
    TYZFHNCWUHVJGN-UHFFFAOYSA-N    		 CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CC2)CNC(=
    O)CCl; CC(C)(C(=O)N1CCC(CC1)CNC(=O)CCl)O
    c2ccc(cc2)Cl    		 2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide
    30605 O4L 1 C17 H16 N4 O3 InChI=1S/C17H16N4O3/c1-9-
    8-14(11(3)22)10(2)21(9)20
    -17(24)15-12-6-4-5-7-13(1
    2)16(23)19-18-15/h4-8H,1-
    3H3,(H,19,23)(H,20,24);
    ZRVUXGAJUNHVRN-UHFFFAOYSA-N    		 Cc1cc(c(n1NC(=O)C2=NNC(=O)c3c2cccc3)C)C(
    =O)C; CC(=O)c1cc(C)n(NC(=O)C2=NNC(=O)c3c
    cccc32)c1C; CC(=O)c1cc(C)n(NC(=O)C2=NNC(
    =O)c3ccccc23)c1C    		 N-(3-acetyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
    30606 O4M 0 H8 Mn O4 InChI=1/Mn.4H2O/h;4*1H2/q
    +2;;;;/rH8MnO4/c2-1(3,4)5
    /h2-5H2/q+2;
    CSPLVMZJCALKHX-ZNOKARSDAZ    		 O|[Mn++](|O)(|O)|O; [OH2][Mn+2]([OH2])([
    OH2])[OH2]    		 MANGANESE TETRAHYDRATE ION
    30607 O4N
    ZINC000098209253    		 4 C31 H34 N2 O6 InChI=1S/C31H34N2O6/c1-4-
    8-26(21-11-14-24(37-3)15-
    12-21)32-30(34)25-10-7-6-
    9-22(25)18-33(17-5-2)19-2
    3-13-16-27-29(39-20-38-27
    )28(23)31(35)36/h5-7,9-16
    ,26H,2,4,8,17-20H2,1,3H3,
    (H,32,34)(H,35,36)/t26-/m
    0/s1;
    BMRIMVDVHSTXPF-SANMLTNESA-N    		 CCC[CH](NC(=O)c1ccccc1CN(CC=C)Cc2ccc3OCO
    c3c2C(O)=O)c4ccc(OC)cc4; CCC[C@@H](c1ccc
    (cc1)OC)NC(=O)c2ccccc2CN(CC=C)Cc3ccc4c(c
    3C(=O)O)OCO4; CCCC(c1ccc(cc1)OC)NC(=O)c2
    ccccc2CN(CC=C)Cc3ccc4c(c3C(=O)O)OCO4; CC
    C[C@H](NC(=O)c1ccccc1CN(CC=C)Cc2ccc3OCOc
    3c2C(O)=O)c4ccc(OC)cc4; O=C(NC(c1ccc(OC)
    cc1)CCC)c2ccccc2CN(C/C=C)Cc3ccc4OCOc4c3C
    (=O)O    		 5-[[[2-[[(1S)-1-(4-METHOXYPHENYL)BUTYL]CARBAMOYL]PHENYL]METHYL-PROP-2-ENYL-AMINO]METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
    30608 O4O 1 C22 H26 N2 O5 InChI=1S/C22H26N2O5/c1-13
    -15(21(27)19-17(25)4-3-5-
    18(19)26)6-7-16-20(13)24(
    22(28)23(16)2)12-14-8-10-
    29-11-9-14/h6-7,14,25H,3-
    5,8-12H2,1-2H3;
    ZOSHTHBGGSWZFP-UHFFFAOYSA-N    		 CN1C(=O)N(CC2CCOCC2)c3c(C)c(ccc13)C(=O)C
    4=C(O)CCCC4=O; Cc1c(ccc2c1N(C(=O)N2C)CC3
    CCOCC3)C(=O)C4=C(CCCC4=O)O    		 1,4-dimethyl-3-(oxan-4-ylmethyl)-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-benzimidazol-2-one
    30609 O4P
    ZINC000015835555    		 2 C23 H22 N2 O3 S InChI=1S/C23H22N2O3S/c1-2
    5(22(26)15-28-20-11-6-5-1
    0-19(20)27-2)23(21-12-7-1
    3-29-21)17-14-24-18-9-4-3
    -8-16(17)18/h3-14,23-24H,
    15H2,1-2H3/t23-/m1/s1;
    UMXDHOYRZISANE-HSZRJFAPSA-N    		 COc1ccccc1OCC(=O)N(C)[CH](c2sccc2)c3c[nH
    ]c4ccccc34; COc1ccccc1OCC(=O)N(C)[C@@H](
    c2sccc2)c3c[nH]c4ccccc34; c1(cnc2ccccc12
    )C(N(C)C(COc3ccccc3OC)=O)c4cccs4; CN(C(c
    1cccs1)c2c[nH]c3c2cccc3)C(=O)COc4ccccc4O
    C; CN([C@@H](c1cccs1)c2c[nH]c3c2cccc3)C(
    =O)COc4ccccc4OC    		 N-[(R)-(1H-indol-3-yl)(thiophen-2-yl)methyl]-2-(2-methoxyphenoxy)-N-methylacetamide
    30610 O4Q 0 C5 H7 Cl O2 InChI=1S/C5H7ClO2/c1-4(3-
    6)2-5(7)8/h3H,2H2,1H3,(H,
    7,8)/b4-3+;
    YPLVUIMDZKTOMU-ONEGZZNKSA-N    		 C/C(=C\Cl)/CC(=O)O; CC(CC(O)=O)=CCl; CC(
    /CC(O)=O)=C\Cl; CC(=CCl)CC(=O)O    		 (~{E})-4-chloranyl-3-methyl-but-3-enal
    30611 O4R 1 C20 H27 Cl N2 O3 InChI=1S/C20H27ClN2O3/c21
    -14-18(24)22-15-16-8-12-2
    3(13-9-16)19(25)20(10-4-5
    -11-20)26-17-6-2-1-3-7-17
    /h1-3,6-7,16H,4-5,8-15H2,
    (H,22,24);
    NZWJTMJACDAPAL-UHFFFAOYSA-N    		 ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Oc3ccc
    cc3; c1ccc(cc1)OC2(CCCC2)C(=O)N3CCC(CC3)
    CNC(=O)CCl    		 2-chloranyl-~{N}-[[1-(1-phenoxycyclopentyl)carbonylpiperidin-4-yl]methyl]ethanamide
    30612 O4S
    ZINC000008610804    		 2 C28 H34 N4 O3 InChI=1S/C28H34N4O3/c1-2-
    20-8-10-21(11-9-20)18-29-
    26(33)19-32-25-17-22(27(3
    4)30-14-5-6-15-30)12-13-2
    3(25)31-16-4-3-7-24(31)28
    (32)35/h8-13,17,24H,2-7,1
    4-16,18-19H2,1H3,(H,29,33
    )/t24-/m1/s1;
    HPKMORZWWWMLAR-XMMPIXPASA-N    		 CCc1ccc(CNC(=O)CN2C(=O)[C@H]3CCCCN3c4ccc
    (cc24)C(=O)N5CCCC5)cc1; C2(N(c1cc(ccc1N3
    CCCCC23)C(N4CCCC4)=O)CC(NCc5ccc(CC)cc5)=
    O)=O; CCc1ccc(cc1)CNC(=O)CN2c3cc(ccc3N4C
    CCC[C@@H]4C2=O)C(=O)N5CCCC5; CCc1ccc(CNC
    (=O)CN2C(=O)[CH]3CCCCN3c4ccc(cc24)C(=O)N
    5CCCC5)cc1; CCc1ccc(cc1)CNC(=O)CN2c3cc(c
    cc3N4CCCCC4C2=O)C(=O)N5CCCC5    		 N-[(4-ethylphenyl)methyl]-2-[(6aR)-6-oxo-3-(pyrrolidine-1-carbonyl)-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxalin-5-yl]acetamide
    30613 O4T
    CHEMBL4632486    		 3 C18 H20 Cl N3 O3 S InChI=1S/C18H20ClN3O3S/c1
    -11(21-26(4,24)25)12-7-14
    (10-20-9-12)22-17(23)15-6
    -5-13(19)8-16(15)18(22,2)
    3/h5-11,21H,1-4H3/t11-/m1
    /s1;
    LXULFFHUCXHBBS-LLVKDONJSA-N    		 C[C@H](c1cc(cnc1)N2C(=O)c3ccc(cc3C2(C)C)
    Cl)NS(=O)(=O)C; C[C@@H](N[S](C)(=O)=O)c1
    cncc(c1)N2C(=O)c3ccc(Cl)cc3C2(C)C; C[CH]
    (N[S](C)(=O)=O)c1cncc(c1)N2C(=O)c3ccc(Cl
    )cc3C2(C)C; CC(c1cc(cnc1)N2C(=O)c3ccc(cc
    3C2(C)C)Cl)NS(=O)(=O)C    		 ~{N}-[(1~{R})-1-[5-(6-chloranyl-1,1-dimethyl-3-oxidanylidene-isoindol-2-yl)pyridin-3-yl]ethyl]methanesulfonamide
    30614 O4U 2 C28 H26 N6 O2 InChI=1S/C28H26N6O2/c1-29
    -27(35)21-10-13-26-24(15-
    21)31-18-34(26)22-11-8-20
    (9-12-22)17-30-28(36)25-1
    6-23(33(2)32-25)14-19-6-4
    -3-5-7-19/h3-13,15-16,18H
    ,14,17H2,1-2H3,(H,29,35)(
    H,30,36);
    OVVBAKUOCIBISQ-UHFFFAOYSA-N    		 CNC(=O)c1ccc2c(c1)ncn2c3ccc(cc3)CNC(=O)c
    4cc(n(n4)C)Cc5ccccc5; CNC(=O)c1ccc2n(cnc
    2c1)c3ccc(CNC(=O)c4cc(Cc5ccccc5)n(C)n4)c
    c3    		 ~{N}-methyl-1-[4-[[[1-methyl-5-(phenylmethyl)pyrazol-3-yl]carbonylamino]methyl]phenyl]benzimidazole-5-carboxamide
    30615 O4V
    CHEMBL1530729
    ZINC000006817538    		 2 C17 H18 N4 O3 S InChI=1S/C17H18N4O3S/c1-3
    -24-15-7-5-4-6-14(15)21-1
    6(18)17(19-20-21)25(22,23
    )13-10-8-12(2)9-11-13/h4-
    11H,3,18H2,1-2H3;
    IDPPLGOKMUUTFP-UHFFFAOYSA-N    		 c2(c(n(c1c(cccc1)OCC)nn2)N)S(c3ccc(cc3)C
    )(=O)=O; CCOc1ccccc1n2nnc(c2N)[S](=O)(=O
    )c3ccc(C)cc3; CCOc1ccccc1n2c(c(nn2)S(=O)
    (=O)c3ccc(cc3)C)N    		 1-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonyl]-1H-1,2,3-triazol-5-amine
    30616 O4W
    CHEMBL4635011    		 3 C23 H22 Cl N5 O3 InChI=1S/C23H22ClN5O3/c1-
    23(2)20-6-15(24)4-5-19(20
    )22(31)29(23)16-7-17(10-2
    5-9-16)32-18-12-28(13-18)
    21(30)14-8-26-27(3)11-14/
    h4-11,18H,12-13H2,1-3H3;
    UBYILWVEJSMRTQ-UHFFFAOYSA-N    		 CC1(c2cc(ccc2C(=O)N1c3cc(cnc3)OC4CN(C4)C
    (=O)c5cnn(c5)C)Cl)C; Cn1cc(cn1)C(=O)N2CC
    (C2)Oc3cncc(c3)N4C(=O)c5ccc(Cl)cc5C4(C)C    		 5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one
    30617 O4Y
    ZINC000000253691    		 1 C11 H10 N2 O3 InChI=1S/C11H10N2O3/c1-7(
    11(15)16)13-6-12-9-5-3-2-
    4-8(9)10(13)14/h2-7H,1H3,
    (H,15,16)/t7-/m1/s1;
    AOIOGRLXASIYJK-SSDOTTSWSA-N    		 C[C@@H](N1C=Nc2ccccc2C1=O)C(O)=O; CC(C(O
    )=O)N2C=Nc1c(cccc1)C2=O; C[CH](N1C=Nc2cc
    ccc2C1=O)C(O)=O; CC(C(=O)O)N1C=Nc2ccccc2
    C1=O; C[C@H](C(=O)O)N1C=Nc2ccccc2C1=O    		 (2R)-2-(4-oxoquinazolin-3(4H)-yl)propanoic acid
    30618 O4Z 2 C16 H19 F N4 O3 S InChI=1S/C16H19FN4O3S/c17
    -15-4-2-1-3-12(15)11-19-9
    -10-20-16(22)21-13-5-7-14
    (8-6-13)25(18,23)24/h1-8,
    19H,9-11H2,(H2,18,23,24)(
    H2,20,21,22);
    OXGPGAGNPWFSPU-UHFFFAOYSA-N    		 c1ccc(c(c1)CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O
    )N)F; N[S](=O)(=O)c1ccc(NC(=O)NCCNCc2ccc
    cc2F)cc1    		 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea
    30619 O50
    CHEMBL3188386
    DB12561
    ZINC000095930187    		 2 C23 H20 N6 O InChI=1S/C23H20N6O/c1-15-
    9-17(12-28-23(15)18-5-6-2
    5-16(2)10-18)11-22(30)29-
    21-4-3-19(13-27-21)20-14-
    24-7-8-26-20/h3-10,12-14H
    ,11H2,1-2H3,(H,27,29,30);
    XXYGTCZJJLTAGH-UHFFFAOYSA-N    		 Cc1cc(cnc1c2ccnc(c2)C)CC(=O)Nc3ccc(cn3)c
    4cnccn4; Cc1cc(ccn1)c2ncc(CC(=O)Nc3ccc(c
    n3)c4cnccn4)cc2C; O=C(Nc1ccc(cn1)c1cnccn
    1)Cc1cc(C)c(nc1)c1ccnc(C)c1    		 2-[(2P)-2',3-dimethyl[2,4'-bipyridin]-5-yl]-N-[(5P)-5-(pyrazin-2-yl)pyridin-2-yl]acetamide
    30620 O51
    CHEMBL4450102    		 2 C15 H20 Cl F N4 O2 InChI=1S/C15H20ClFN4O2/c1
    6-12-4-3-11(8-13(12)17)20
    -14(22)10-2-1-7-21(9-10)1
    5(23)19-6-5-18/h3-4,8,10H
    ,1-2,5-7,9,18H2,(H,19,23)
    (H,20,22)/t10-/m0/s1;
    DOOFADZXMRBBQU-JTQLQIEISA-N    		 c1cc(c(cc1NC(=O)[C@H]2CCCN(C2)C(=O)NCCN)
    F)Cl; c1cc(c(cc1NC(=O)C2CCCN(C2)C(=O)NCC
    N)F)Cl; NCCNC(=O)N1CCC[CH](C1)C(=O)Nc2cc
    c(Cl)c(F)c2; NCCNC(=O)N1CCC[C@@H](C1)C(=
    O)Nc2ccc(Cl)c(F)c2; C(CNC(N2CC(C(Nc1cc(F
    )c(Cl)cc1)=O)CCC2)=O)N    		 (3S)-N~1~-(2-aminoethyl)-N~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide
    30621 O53
    ZINC000025969197    		 2 C16 H17 N3 O InChI=1S/C16H17N3O/c1-10(
    2)11-5-7-12(8-6-11)14-18-
    15-13(16(20)19-14)4-3-9-1
    7-15/h3-10,14H,1-2H3,(H,1
    7,18)(H,19,20)/t14-/m0/s1;
    UWKUUJNROWNYPA-AWEZNQCLSA-N    		 CC(C)c1ccc(cc1)C2Nc3c(cccn3)C(=O)N2; CC(
    C)c1ccc(cc1)[CH]2NC(=O)c3cccnc3N2; CC(C)
    c1ccc(cc1)[C@@H]2NC(=O)c3cccnc3N2; CC(C)
    c1ccc(cc1)[C@H]2Nc3c(cccn3)C(=O)N2    		 (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
    30622 O54
    CHEMBL4086418
    ZINC000164909157    		 1 C19 H20 N4 O InChI=1S/C19H20N4O/c1-4-2
    0-19(24)23-18-10-16-15(14
    -7-8-21-13(3)9-14)6-5-12(
    2)17(16)11-22-18/h5-11H,4
    H2,1-3H3,(H2,20,22,23,24);
    ITGDBTWKMCUOIO-UHFFFAOYSA-N    		 CCNC(=O)Nc1cc2c(cn1)c(C)ccc2c3ccnc(C)c3;
    CCNC(=O)Nc1cc2c(ccc(c2cn1)C)c3ccnc(c3)C    		 1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea
    30623 O55 2 C16 H19 Br N4 O4 S InChI=1S/C16H19BrN4O4S/c1
    7-12-2-1-11(15(22)9-12)10
    -19-7-8-20-16(23)21-13-3-
    5-14(6-4-13)26(18,24)25/h
    1-6,9,19,22H,7-8,10H2,(H2
    ,18,24,25)(H2,20,21,23);
    VTRVGGSRBCQHQF-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(NC(=O)NCCNCc2ccc(Br)cc
    2O)cc1; c1cc(ccc1NC(=O)NCCNCc2ccc(cc2O)B
    r)S(=O)(=O)N    		 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea
    30624 O56
    CHEMBL3220933
    ZINC000169324338    		 1 C19 H26 Cl F3 N2 O2 S2 InChI=1S/C19H26ClF3N2O2S2
    /c1-24(2)10-12-29-28-11-5
    -17(26)25-8-6-18(27,7-9-2
    5)14-3-4-16(20)15(13-14)1
    9(21,22)23/h3-4,13,27H,5-
    12H2,1-2H3;
    SSTMQKOHFHMVOP-UHFFFAOYSA-N    		 CN(C)CCSSCCC(=O)N1CCC(CC1)(c2ccc(c(c2)C(
    F)(F)F)Cl)O; CN(C)CCSSCCC(=O)N1CCC(O)(CC
    1)c2ccc(Cl)c(c2)C(F)(F)F    		 1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-oxidanyl-piperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one
    30625 O57
    CHEMBL5180830    		 4 C20 H15 F N2 O InChI=1S/C20H15FN2O/c21-1
    5-10-11-17-16(12-15)20(24
    )23(13-14-6-2-1-3-7-14)19
    -9-5-4-8-18(19)22-17/h1-1
    2,22H,13H2;
    KPJCQYLIQBFEHH-UHFFFAOYSA-N    		 Fc1ccc2Nc3ccccc3N(Cc4ccccc4)C(=O)c2c1; c
    1ccc(cc1)CN2c3ccccc3Nc4ccc(cc4C2=O)F; c1
    ccc(cc1)CN4C(c2cc(ccc2Nc3ccccc34)F)=O    		 10-benzyl-2-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
    30626 O58
    ZINC000098209254    		 1 C27 H25 Cl N6 O4 InChI=1S/C27H25ClN6O4/c28
    -21-9-12-24(34-17-29-32-3
    3-34)20(16-21)8-13-25(35)
    31-23(14-18-4-2-1-3-5-18)
    27(38)30-22-10-6-19(7-11-
    22)15-26(36)37/h1-7,9-12,
    16-17,23H,8,13-15H2,(H,30
    ,38)(H,31,35)(H,36,37)/t2
    3-/m0/s1;
    WNOHYEPACJOGFG-QHCPKHFHSA-N    		 c1ccc(cc1)CC(C(=O)Nc2ccc(cc2)CC(=O)O)NC(
    =O)CCc3cc(ccc3n4cnnn4)Cl; OC(=O)Cc1ccc(N
    C(=O)[C@H](Cc2ccccc2)NC(=O)CCc3cc(Cl)ccc
    3n4cnnn4)cc1; O=C(O)Cc1ccc(cc1)NC(=O)C(N
    C(=O)CCc2cc(Cl)ccc2n3nnnc3)Cc4ccccc4; OC
    (=O)Cc1ccc(NC(=O)[CH](Cc2ccccc2)NC(=O)CC
    c3cc(Cl)ccc3n4cnnn4)cc1; c1ccc(cc1)C[C@@
    H](C(=O)Nc2ccc(cc2)CC(=O)O)NC(=O)CCc3cc(
    ccc3n4cnnn4)Cl    		 {4-[(N-{3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}-L-phenylalanyl)amino]phenyl}acetic acid
    30627 O59
    CHEMBL182455
    ZINC000028358893    		 1 C8 H20 N2 O6 S2 InChI=1S/C8H20N2O6S2/c9-1
    7(11,12)15-7-5-3-1-2-4-6-
    8-16-18(10,13)14/h1-8H2,(
    H2,9,11,12)(H2,10,13,14);
    IPTXSYCLIWBHBX-UHFFFAOYSA-N    		 O=S(=O)(OCCCCCCCCOS(=O)(=O)N)N; C(CCCCOS
    (=O)(=O)N)CCCOS(=O)(=O)N; N[S](=O)(=O)OC
    CCCCCCCO[S](N)(=O)=O    		 octane-1,8-diyl disulfamate;
    1,8-Octanediol disulfamate
    30628 O5A
    CHEMBL3934548    		 2 C27 H25 F8 N O5 S InChI=1S/C27H25F8NO5S/c28
    -20-9-11-21(12-10-20)42(4
    0,41)24(13-14-36(15-24)22
    (37)16-1-3-17(4-2-16)23(3
    8)39)18-5-7-19(8-6-18)25(
    29,26(30,31)32)27(33,34)3
    5/h5-12,16-17H,1-4,13-15H
    2,(H,38,39)/t16-,17-,24-/
    m0/s1;
    AVHWMAVUUHFRKE-UAVUOLJFSA-N    		 OC(=O)[CH]1CC[CH](CC1)C(=O)N2CC[C](C2)(c
    3ccc(cc3)C(F)(C(F)(F)F)C(F)(F)F)[S](=O)(
    =O)c4ccc(F)cc4; c1cc(ccc1C2(CCN(C2)C(=O)
    C3CCC(CC3)C(=O)O)S(=O)(=O)c4ccc(cc4)F)C(
    C(F)(F)F)(C(F)(F)F)F; OC(=O)[C@@H]1CC[C@
    H](CC1)C(=O)N2CC[C@](C2)(c3ccc(cc3)C(F)(
    C(F)(F)F)C(F)(F)F)[S](=O)(=O)c4ccc(F)cc4
    ; c1cc(ccc1[C@@]2(CCN(C2)C(=O)C3CCC(CC3)
    C(=O)O)S(=O)(=O)c4ccc(cc4)F)C(C(F)(F)F)(
    C(F)(F)F)F; c1c(C(C(F)(F)F)(F)C(F)(F)F)c
    cc(c1)C3(CN(C(=O)C2CCC(CC2)C(O)=O)CC3)S(
    c4ccc(cc4)F)(=O)=O    		 trans-4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidine-1-carbonyl}cyclohexane-1-carboxylic acid
    30629 O5B
    CHEMBL4445959    		 1 C29 H27 F8 N O5 S InChI=1S/C29H27F8NO5S/c30
    -20-7-9-21(10-8-20)44(42,
    43)26-13-14-38(24(39)16-1
    -3-17(4-2-16)25(40)41)23(
    26)12-5-18-15-19(6-11-22(
    18)26)27(31,28(32,33)34)2
    9(35,36)37/h6-11,15-17,23
    H,1-5,12-14H2,(H,40,41)/t
    16-,17-,23-,26-/m1/s1;
    FEJZVGPREBSBIT-NIULTJEISA-N    		 OC(=O)[CH]1CC[CH](CC1)C(=O)N2CC[C]3([CH]
    2CCc4cc(ccc34)C(F)(C(F)(F)F)C(F)(F)F)[S]
    (=O)(=O)c5ccc(F)cc5; OC(=O)[C@H]1CC[C@@H
    ](CC1)C(=O)N2CC[C@@]3([C@H]2CCc4cc(ccc34
    )C(F)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c5ccc
    (F)cc5; c1cc(ccc1F)S(=O)(=O)C23CCN(C2CCc
    4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)C(=O)C5
    CCC(CC5)C(=O)O; c1cc(ccc1F)S(=O)(=O)[C@@
    ]23CCN([C@@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C
    (F)(F)F)F)C(=O)C5CCC(CC5)C(=O)O; C2CN(C(
    =O)C1CCC(CC1)C(O)=O)C3CCc5cc(C(C(F)(F)F)
    (F)C(F)(F)F)ccc5C23S(c4ccc(cc4)F)(=O)=O    		 trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
    30630 O5C
    ZINC000005532278    		 1 C18 H14 F N O2 InChI=1S/C18H14FNO2/c1-11
    -16(12(2)21)15-5-3-4-10-2
    0(15)17(11)18(22)13-6-8-1
    4(19)9-7-13/h3-10H,1-2H3;
    NSDJNMWFQYNAQU-UHFFFAOYSA-N    		 Fc1ccc(cc1)C(=O)c1c(C)c(c2ccccn12)C(C)=O
    ; Cc1c(c2ccccn2c1C(=O)c3ccc(cc3)F)C(=O)C
    ; CC(=O)c1c(C)c(n2ccccc12)C(=O)c3ccc(F)c
    c3    		 1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one
    30631 O5D
    CHEMBL5203563    		 1 C22 H24 Cl N5 O3 InChI=1S/C22H24ClN5O3/c1-
    13-8-18(25-11-17(13)24)19
    -10-20(27-26-19)22(29)28-
    6-7-31-12-14(28)9-15-16(2
    3)4-3-5-21(15)30-2/h3-5,8
    ,10-11,14H,6-7,9,12,24H2,
    1-2H3,(H,26,27)/t14-/m1/s
    1;
    ZAPLCZOOCDRDCZ-CQSZACIVSA-N    		 Cc1cc(ncc1N)c2cc([nH]n2)C(=O)N3CCOCC3Cc4
    c(cccc4Cl)OC; Cc1cc(ncc1N)c2cc([nH]n2)C(
    =O)N3CCOC[C@H]3Cc4c(cccc4Cl)OC; COc1cccc
    (Cl)c1C[CH]2COCCN2C(=O)c3[nH]nc(c3)c4cc(
    C)c(N)cn4; COc1cccc(Cl)c1C[C@@H]2COCCN2C
    (=O)c3[nH]nc(c3)c4cc(C)c(N)cn4; c1(nnc(c
    1)c2cc(c(cn2)N)C)C(N4CCOCC4Cc3c(cccc3OC)
    Cl)=O    		 [3-(5-amino-4-methylpyridin-2-yl)-1H-pyrazol-5-yl]{(3R)-3-[(2-chloro-6-methoxyphenyl)methyl]morpholin-4-yl}methanone
    30632 O5E
    ZINC000621478358    		 4 C15 H14 N6 O InChI=1S/C15H14N6O/c22-14
    (17-15-18-20-21-19-15)13(
    11-7-3-1-4-8-11)16-12-9-5
    -2-6-10-12/h1-10,13,16H,(
    H2,17,18,19,20,21,22)/t13
    -/m1/s1;
    PLRZYAQVTMJESZ-CYBMUJFWSA-N    		 O=C(Nc1[nH]nnn1)[CH](Nc2ccccc2)c3ccccc3;
    c1ccc(cc1)[C@H](C(=O)Nc2[nH]nnn2)Nc3ccc
    cc3; C(C(c1ccccc1)Nc2ccccc2)(=O)Nc3nnnn3
    ; c1ccc(cc1)C(C(=O)Nc2[nH]nnn2)Nc3ccccc3
    ; O=C(Nc1[nH]nnn1)[C@H](Nc2ccccc2)c3cccc
    c3    		 (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl)acetamide
    30633 O5F 2 C34 H31 N5 O2 InChI=1S/C34H31N5O2/c1-22
    (24-17-16-23-9-3-4-10-25(
    23)19-24)37-34(41)28-13-7
    -14-30-32(28)39(18-8-15-3
    1(40)35-2)33(38-30)29-21-
    36-20-26-11-5-6-12-27(26)
    29/h3-7,9-14,16-17,19-22H
    ,8,15,18H2,1-2H3,(H,35,40
    )(H,37,41)/t22-/m0/s1;
    CTPLSMAVLSTZPJ-QFIPXVFZSA-N    		 CC(c1ccc2ccccc2c1)NC(=O)c3cccc4c3n(c(n4)
    c5cncc6c5cccc6)CCCC(=O)NC; C[C@@H](c1ccc
    2ccccc2c1)NC(=O)c3cccc4c3n(c(n4)c5cncc6c
    5cccc6)CCCC(=O)NC; CNC(=O)CCCn1c(nc2cccc
    (C(=O)N[CH](C)c3ccc4ccccc4c3)c12)c5cncc6
    ccccc56; CNC(=O)CCCn1c(nc2cccc(C(=O)N[C@
    @H](C)c3ccc4ccccc4c3)c12)c5cncc6ccccc56;
    CC(NC(=O)c1cccc2nc(c3cncc4ccccc43)n(CCC
    C(=O)NC)c12)c1cc2ccccc2cc1    		 (2P)-2-(isoquinolin-4-yl)-1-[4-(methylamino)-4-oxobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide
    30634 O5G 1 C22 H24 N4 O3 InChI=1S/C22H24N4O3/c1-15
    -7-8-23-18(11-15)19-13-20
    (25-24-19)22(27)26-9-10-2
    9-14-17(26)12-16-5-3-4-6-
    21(16)28-2/h3-8,11,13,17H
    ,9-10,12,14H2,1-2H3,(H,24
    ,25)/t17-/m1/s1;
    FTBXWZMCYGGBTG-QGZVFWFLSA-N    		 Cc1ccnc(c1)c2cc([nH]n2)C(=O)N3CCOC[C@H]3
    Cc4ccccc4OC; c3(C(N2CCOCC2Cc1ccccc1OC)=O
    )cc(nn3)c4cc(ccn4)C; COc1ccccc1C[CH]2COC
    CN2C(=O)c3[nH]nc(c3)c4cc(C)ccn4; Cc1ccnc
    (c1)c2cc([nH]n2)C(=O)N3CCOCC3Cc4ccccc4OC
    ; COc1ccccc1C[C@@H]2COCCN2C(=O)c3[nH]nc(
    c3)c4cc(C)ccn4    		 {(3R)-3-[(2-methoxyphenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1H-pyrazol-5-yl]methanone
    30635 O5H 2 C16 H20 N4 O3 S InChI=1S/C16H20N4O3S/c17-
    24(22,23)15-8-4-7-14(11-1
    5)20-16(21)19-10-9-18-12-
    13-5-2-1-3-6-13/h1-8,11,1
    8H,9-10,12H2,(H2,17,22,23
    )(H2,19,20,21);
    OSBIIXRLYSASNI-UHFFFAOYSA-N    		 c1ccc(cc1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)
    N; N[S](=O)(=O)c1cccc(NC(=O)NCCNCc2ccccc
    2)c1    		 1-[2-[(phenylmethyl)amino]ethyl]-3-(3-sulfamoylphenyl)urea
    30636 O5I 2 C20 H27 Cl2 N3 O2 InChI=1S/C20H27Cl2N3O2/c2
    1-13-18(26)23-14-15-7-11-
    25(12-8-15)19(27)20(9-1-2
    -10-20)24-17-5-3-16(22)4-
    6-17/h3-6,15,24H,1-2,7-14
    H2,(H,23,26);
    NJCJNBJGRFJESB-UHFFFAOYSA-N    		 c1cc(ccc1NC2(CCCC2)C(=O)N3CCC(CC3)CNC(=O
    )CCl)Cl; ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCC
    C2)Nc3ccc(Cl)cc3    		 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide
    30637 O5J
    CHEMBL3785696
    ZINC000006589034    		 1 C24 H20 N2 O4 InChI=1S/C24H20N2O4/c1-30
    -20-14-12-17(13-15-20)21(
    27)16-26-22(28)24(25-23(2
    6)29,18-8-4-2-5-9-18)19-1
    0-6-3-7-11-19/h2-15H,16H2
    ,1H3,(H,25,29);
    BZIXIEVSXWQXTK-UHFFFAOYSA-N    		 COc1ccc(cc1)C(=O)CN2C(=O)NC(C2=O)(c3cccc
    c3)c4ccccc4; C3(C(c1ccccc1)(c2ccccc2)NC(
    N3CC(c4ccc(cc4)OC)=O)=O)=O; COc1ccc(cc1)
    C(=O)CN2C(=O)C(NC2=O)(c3ccccc3)c4ccccc4    		 3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
    30638 O5K 2 C16 H19 F N4 O3 S InChI=1S/C16H19FN4O3S/c17
    -13-3-1-12(2-4-13)11-19-9
    -10-20-16(22)21-14-5-7-15
    (8-6-14)25(18,23)24/h1-8,
    19H,9-11H2,(H2,18,23,24)(
    H2,20,21,22);
    SFIBCLIKHLLFJP-UHFFFAOYSA-N    		 c1cc(ccc1CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O)N
    )F; N[S](=O)(=O)c1ccc(NC(=O)NCCNCc2ccc(F
    )cc2)cc1    		 1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea
    30639 O5L 2 C22 H18 F3 N3 O3 S InChI=1S/C22H18F3N3O3S/c2
    3-22(24,25)18-11-13(1-10-
    19(18)32-17-8-6-16(26)7-9
    -17)12-31-28-21(30)15-4-2
    -14(3-5-15)20(27)29/h1-11
    H,12,26H2,(H2,27,29)(H,28
    ,30);
    GMAGLFSPJHGYAV-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)N)C(=O)NOCc2ccc(c(c2)C(F)(
    F)F)Sc3ccc(cc3)N; NC(=O)c1ccc(cc1)C(=O)N
    OCc2ccc(Sc3ccc(N)cc3)c(c2)C(F)(F)F    		 N1-[[4-(4-aminophenyl)sulfanyl-3-(trifluoromethyl)phenyl]methoxy]benzene-1,4-dicarboxamide
    30640 O5M 1 C21 H21 F N4 O2 InChI=1S/C21H21FN4O2/c1-1
    4-6-7-23-18(10-14)19-12-2
    0(25-24-19)21(27)26-8-9-2
    8-13-16(26)11-15-4-2-3-5-
    17(15)22/h2-7,10,12,16H,8
    -9,11,13H2,1H3,(H,24,25)/
    t16-/m1/s1;
    GIGPNWNDFAGHSA-MRXNPFEDSA-N    		 c3(C(N2CCOCC2Cc1c(cccc1)F)=O)cc(nn3)c4cc
    (ccn4)C; Cc1ccnc(c1)c2cc([nH]n2)C(=O)N3C
    COCC3Cc4ccccc4F; Cc1ccnc(c1)c2cc([nH]n2)
    C(=O)N3CCOC[C@H]3Cc4ccccc4F; Cc1ccnc(c1)
    c2cc([nH]n2)C(=O)N3CCOC[CH]3Cc4ccccc4F    		 {(3R)-3-[(2-fluorophenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1H-pyrazol-5-yl]methanone
    30641 O5N 2 C16 H19 F N4 O3 S InChI=1S/C16H19FN4O3S/c17
    -15-7-2-1-4-12(15)11-19-8
    -9-20-16(22)21-13-5-3-6-1
    4(10-13)25(18,23)24/h1-7,
    10,19H,8-9,11H2,(H2,18,23
    ,24)(H2,20,21,22);
    YRJULALGRMXJEX-UHFFFAOYSA-N    		 N[S](=O)(=O)c1cccc(NC(=O)NCCNCc2ccccc2F)
    c1; c1ccc(c(c1)CNCCNC(=O)Nc2cccc(c2)S(=O
    )(=O)N)F    		 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea
    30642 O5O 1 C34 H32 F3 N5 O2 InChI=1S/C34H32F3N5O2/c1-
    3-7-28(20-12-14-23(15-13-
    20)34(35,36)37)41-33(44)2
    6-10-6-11-29-30(26)42(24-
    16-22(17-24)32(43)38-2)31
    (40-29)27-19-39-18-21-8-4
    -5-9-25(21)27/h4-6,8-15,1
    8-19,22,24,28H,3,7,16-17H
    2,1-2H3,(H,38,43)(H,41,44
    )/t22-,24+,28-/m0/s1;
    FOWCQWSLGBHNCT-SAYMBASOSA-N    		 CCC[CH](NC(=O)c1cccc2nc(n([CH]3C[CH](C3)
    C(=O)NC)c12)c4cncc5ccccc45)c6ccc(cc6)C(F
    )(F)F; CCC[C@H](NC(=O)c1cccc2nc(n([C@H]3
    C[C@H](C3)C(=O)NC)c12)c4cncc5ccccc45)c6c
    cc(cc6)C(F)(F)F; CCCC(c1ccc(cc1)C(F)(F)F
    )NC(=O)c2cccc3c2n(c(n3)c4cncc5c4cccc5)C6
    CC(C6)C(=O)NC; FC(F)(F)c1ccc(cc1)C(CCC)N
    C(=O)c1cccc2nc(c3cncc4ccccc43)n(c12)C1CC
    (C1)C(=O)NC; CCC[C@@H](c1ccc(cc1)C(F)(F)
    F)NC(=O)c2cccc3c2n(c(n3)c4cncc5c4cccc5)C
    6CC(C6)C(=O)NC    		 (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-{(1S)-1-[4-(trifluoromethyl)phenyl]butyl}-1H-benzimidazole-7-carboxamide
    30643 O5P
    CHEMBL5208865    		 1 C21 H22 N4 O2 InChI=1S/C21H22N4O2/c1-15
    -7-8-22-18(11-15)19-13-20
    (24-23-19)21(26)25-9-10-2
    7-14-17(25)12-16-5-3-2-4-
    6-16/h2-8,11,13,17H,9-10,
    12,14H2,1H3,(H,23,24)/t17
    -/m1/s1;
    MZWBXVWTKIKBTJ-QGZVFWFLSA-N    		 Cc1ccnc(c1)c2cc(n[nH]2)C(=O)N3CCOCC3Cc4c
    cccc4; Cc1ccnc(c1)c2[nH]nc(c2)C(=O)N3CCO
    C[C@H]3Cc4ccccc4; c4(cc(c3cc(C(N2CCOCC2C
    c1ccccc1)=O)nn3)ncc4)C; Cc1ccnc(c1)c2[nH
    ]nc(c2)C(=O)N3CCOC[CH]3Cc4ccccc4; Cc1ccn
    c(c1)c2cc(n[nH]2)C(=O)N3CCOC[C@H]3Cc4ccc
    cc4    		 [(3R)-3-benzylmorpholin-4-yl][5-(4-methylpyridin-2-yl)-1H-pyrazol-3-yl]methanone
    30644 O5R 1 C26 H48 O14 InChI=1S/C26H48O14/c1-4-5
    -6-7-8-9-10-35-26-23(40-2
    5-21(34)19(32)17(30)14(11
    -27)38-25)22(16(29)13(3)3
    7-26)39-24-20(33)18(31)15
    (28)12(2)36-24/h12-34H,4-
    11H2,1-3H3/t12-,13+,14-,1
    5-,16-,17+,18+,19+,20+,21
    -,22-,23+,24-,25-,26-/m1/
    s1;
    OIDIMGBVRRENOK-VJYSWUEHSA-N    		 CCCCCCCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H
    ](O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H
    ]2O)[C@@H]1O[C@H]3O[C@H](CO)[C@H](O)[C@H
    ](O)[C@H]3O; CCCCCCCCOC1C(C(C(C(O1)C)O)O
    C2C(C(C(C(O2)C)O)O)O)OC3C(C(C(C(O3)CO)O)
    O)O; CCCCCCCCO[CH]1O[CH](C)[CH](O)[CH](O
    [CH]2O[CH](C)[CH](O)[CH](O)[CH]2O)[CH]1O
    [CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O; CCCC
    CCCCO[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1
    )C)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2
    )C)O)O)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H
    ](O3)CO)O)O)O    		 (2~{R},3~{S},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-methyl-6-octoxy-3-oxidanyl-oxan-4-yl]oxy-6-methyl-oxane-3,4,5-triol
    30645 O5S 3 C31 H35 Cl N4 O4 InChI=1S/C31H35ClN4O4/c1-
    4-27(38)35-15-22(16-35)33
    -26(37)17-36-29-18(2)12-2
    1(32)13-24(29)28(30(36)19
    -8-9-19)31(39)34-11-10-23
    -20(14-34)6-5-7-25(23)40-
    3/h5-7,12-13,19,22H,4,8-1
    1,14-17H2,1-3H3,(H,33,37);
    DLHKDPGFCFXJMF-UHFFFAOYSA-N    		 CCC(N6CC(NC(=O)Cn1c5c(c(c1C2CC2)C(N4CCc3
    c(OC)cccc3C4)=O)cc(Cl)cc5C)C6)=O; CCC(=O
    )N1CC(C1)NC(=O)Cn2c3c(cc(cc3c(c2C4CC4)C(
    =O)N5CCc6c(cccc6OC)C5)Cl)C; CCC(=O)N1CC(
    C1)NC(=O)Cn2c(C3CC3)c(C(=O)N4CCc5c(C4)cc
    cc5OC)c6cc(Cl)cc(C)c26    		 2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-methyl-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide
    30646 O5T 2 C16 H19 Br N4 O4 S InChI=1S/C16H19BrN4O4S/c1
    7-12-5-4-11(15(22)8-12)10
    -19-6-7-20-16(23)21-13-2-
    1-3-14(9-13)26(18,24)25/h
    1-5,8-9,19,22H,6-7,10H2,(
    H2,18,24,25)(H2,20,21,23);
    ULOQNGFDQUGKSY-UHFFFAOYSA-N    		 c1cc(cc(c1)S(=O)(=O)N)NC(=O)NCCNCc2ccc(c
    c2O)Br; N[S](=O)(=O)c1cccc(NC(=O)NCCNCc2
    ccc(Br)cc2O)c1    		 1-[2-[(4-bromanyl-2-oxidanyl-phenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea
    30647 O5U
    ZINC000098209255    		 4 C28 H34 N2 O7 InChI=1S/C28H34N2O7/c29-1
    3-5-1-2-8-24(31)30-22-15-
    17-6-3-4-7-20(17)21(22)14
    -18-9-11-23-27(26(18)28(3
    4)35)36-16-19(37-23)10-12
    -25(32)33/h3-4,6-7,9,11,1
    9,21-22H,1-2,5,8,10,12-16
    ,29H2,(H,30,31)(H,32,33)(
    H,34,35)/t19-,21-,22+/m1/
    s1;
    JSZOFYHIMWWVMH-FCEUIQTBSA-N    		 O=C(O)c2c(ccc1OC(COc12)CCC(=O)O)CC4c3ccc
    cc3CC4NC(=O)CCCCCN; c1ccc2c(c1)CC(C2Cc3c
    cc4c(c3C(=O)O)OCC(O4)CCC(=O)O)NC(=O)CCCC
    CN; NCCCCCC(=O)N[CH]1Cc2ccccc2[CH]1Cc3cc
    c4O[CH](CCC(O)=O)COc4c3C(O)=O; NCCCCCC(=
    O)N[C@H]1Cc2ccccc2[C@H]1Cc3ccc4O[C@H](CC
    C(O)=O)COc4c3C(O)=O; c1ccc2c(c1)C[C@@H](
    [C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@H](O4)CCC(
    =O)O)NC(=O)CCCCCN    		 (2R)-6-[[(1R,2S)-2-(6-azanylhexanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
    30648 O5V 4 C25 H26 Br N3 O4 InChI=1S/C25H26BrN3O4/c1-
    2-24(31)29-14-20(15-29)27
    -23(30)16-33-22-9-8-19(26
    )12-21(22)25(32)28-11-10-
    18(13-28)17-6-4-3-5-7-17/
    h3-10,12,20H,2,11,13-16H2
    ,1H3,(H,27,30);
    BREYPSKQQKWWJF-UHFFFAOYSA-N    		 CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2C(=O)N3C
    C=C(C3)c4ccccc4)Br; CCC(=O)N1CC(C1)NC(=O
    )COc2ccc(Br)cc2C(=O)N3CC=C(C3)c4ccccc4;
    CCC(=O)N1CC(C1)NC(=O)COc2ccc(Br)cc2C(N4C
    C=C(c3ccccc3)C4)=O    		 2-[4-bromo-2-(3-phenyl-2,5-dihydro-1H-pyrrole-1-carbonyl)phenoxy]-N-(1-propanoylazetidin-3-yl)acetamide
    30649 O5W 1 C21 H28 N7 O13 P2 InChI=1S/C21H27N7O13P2/c1
    -10-5-27(21(31)25-20(10)3
    0)15-3-11(29)13(39-15)6-3
    8-43(35,36)41-12-4-16(40-
    14(12)7-37-42(32,33)34)28
    -9-23-17-18(22)26(2)8-24-
    19(17)28/h5,8-9,11-16,22,
    29H,3-4,6-7H2,1-2H3,(H2,2
    5,30,31,32,33,34)/q-2/p+1
    /t11-,12-,13+,14+,15+,16+
    /m0/s1;
    AESRSXSUEFZXFW-KPRKPIBOSA-O    		 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[P-](=O)(=
    O)OC3CC(OC3CO[P-](=O)(=O)O)n4cnc5c4nc[n+
    ](c5N)C)O; CC1=CN([C@H]2C[C@H](O)[C@@H](
    CO[P-](=O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO[
    P-](O)(=O)=O)n4cnc5c(N)[n+](C)cnc45)O2)C
    (=O)NC1=O; CC1=CN(C(=O)NC1=O)[C@H]2C[C@@
    H]([C@H](O2)CO[P-](=O)(=O)O[C@H]3C[C@@H]
    (O[C@@H]3CO[P-](=O)(=O)O)n4cnc5c4nc[n+](
    c5N)C)O; CC1=CN([CH]2C[CH](O)[CH](CO[P-]
    (=O)(=O)O[CH]3C[CH](O[CH]3CO[P-](O)(=O)=
    O)n4cnc5c(N)[n+](C)cnc45)O2)C(=O)NC1=O    		 [(3~{S},5~{R})-5-(6-azanyl-1-methyl-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate;
    [(1~{R},3~{R})-1-(6-azanyl-1-methyl-purin-9-yl)-1-oxidanyl-5-phosphonooxy-pentan-3-yl] [(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
    30650 O5X
    CHEMBL5175065    		 4 C12 H17 N3 InChI=1S/C12H17N3/c1-10-8
    -11(14-12(13)9-10)6-4-5-7
    -15(2)3/h8-9H,5,7H2,1-3H3
    ,(H2,13,14);
    SWAXYJVGMJZMLB-UHFFFAOYSA-N    		 CN(C)CCC#Cc1cc(C)cc(N)n1; Cc1cc(nc(c1)N)
    C#CCCN(C)C; Cc1cc(C#CCCN(C)C)nc(N)c1    		 6-[4-(dimethylamino)but-1-yn-1-yl]-4-methylpyridin-2-amine
    30651 O5Y 2 C27 H29 Br N4 O4 InChI=1S/C27H29BrN4O4/c1-
    3-26(34)32-13-19(14-32)29
    -25(33)16-31-15-22(21-11-
    18(28)7-8-23(21)31)27(35)
    30-10-9-20-17(12-30)5-4-6
    -24(20)36-2/h4-8,11,15,19
    H,3,9-10,12-14,16H2,1-2H3
    ,(H,29,33);
    ZVWBSEHSMCJHSP-UHFFFAOYSA-N    		 CCC(N5CC(NC(=O)Cn3cc(C(=O)N1Cc2c(CC1)c(c
    cc2)OC)c4cc(Br)ccc34)C5)=O; CCC(=O)N1CC(
    C1)NC(=O)Cn2cc(c3c2ccc(c3)Br)C(=O)N4CCc5
    c(cccc5OC)C4; CCC(=O)N1CC(C1)NC(=O)Cn2cc
    (C(=O)N3CCc4c(C3)cccc4OC)c5cc(Br)ccc25    		 2-[5-bromo-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide
    30652 O5Z 1 C19 H22 Br N3 O3 InChI=1S/C19H22BrN3O3/c20
    -17-9-8-14(26-17)12-22-18
    (24)16-7-4-10-23(16)19(25
    )15(21)11-13-5-2-1-3-6-13
    /h1-3,5-6,8-9,15-16H,4,7,
    10-12,21H2,(H,22,24)/t15-
    ,16+/m1/s1;
    BLTHEFKWZUYOME-CVEARBPZSA-N    		 N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NC
    c3oc(Br)cc3; c1ccc(cc1)CC(C(=O)N2CCCC2C(
    =O)NCc3ccc(o3)Br)N; N[CH](Cc1ccccc1)C(=O
    )N2CCC[CH]2C(=O)NCc3oc(Br)cc3; c1ccc(cc1
    )C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(o3)
    Br)N    		 (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
    30653 O60
    CHEMBL171476    		 1 C10 H24 N2 O6 S2 InChI=1S/C10H24N2O6S2/c11
    -19(13,14)17-9-7-5-3-1-2-
    4-6-8-10-18-20(12,15)16/h
    1-10H2,(H2,11,13,14)(H2,1
    2,15,16);
    XPDWKENHTJHZSC-UHFFFAOYSA-N    		 N[S](=O)(=O)OCCCCCCCCCCO[S](N)(=O)=O; O=
    S(=O)(OCCCCCCCCCCOS(=O)(=O)N)N; C(CCCCCO
    S(=O)(=O)N)CCCCOS(=O)(=O)N    		 decane-1,10-diyl disulfamate;
    1,10-decanediol disulfamate
    30654 O61
    ZINC000098209256    		 1 C27 H24 Cl N7 O3 S InChI=1S/C27H24ClN7O3S/c2
    8-20-7-9-23(35-16-30-33-3
    4-35)18(13-20)10-11-29-27
    (38)22(12-17-4-2-1-3-5-17
    )32-26(37)19-6-8-21-24(14
    -19)39-15-25(36)31-21/h1-
    9,13-14,16,22H,10-12,15H2
    ,(H,29,38)(H,31,36)(H,32,
    37)/t22-/m0/s1;
    IAXDWTLDVZYTHX-QFIPXVFZSA-N    		 c1ccc(cc1)C[C@@H](C(=O)NCCc2cc(ccc2n3cnn
    n3)Cl)NC(=O)c4ccc5c(c4)SCC(=O)N5; Clc1cc
    c(n2cnnn2)c(CCNC(=O)[CH](Cc3ccccc3)NC(=O
    )c4ccc5NC(=O)CSc5c4)c1; Clc1ccc(n2cnnn2)
    c(CCNC(=O)[C@H](Cc3ccccc3)NC(=O)c4ccc5NC
    (=O)CSc5c4)c1; Clc2cc(c(n1nnnc1)cc2)CCNC
    (=O)C(NC(=O)c4ccc3c(SCC(=O)N3)c4)Cc5cccc
    c5; c1ccc(cc1)CC(C(=O)NCCc2cc(ccc2n3cnnn
    3)Cl)NC(=O)c4ccc5c(c4)SCC(=O)N5    		 N-[(2S)-1-({2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenylpropan-2-yl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxamide
    30655 O62
    CHEMBL476302
    ZINC000039122511    		 1 C30 H23 Cl2 N O4 InChI=1S/C30H23Cl2NO4/c1-
    17(2)29-24(28(33-37-29)27
    -25(31)7-4-8-26(27)32)16-
    36-21-12-9-18(10-13-21)19
    -11-14-22-20(15-19)5-3-6-
    23(22)30(34)35/h3-15,17H,
    16H2,1-2H3,(H,34,35);
    TUOXXRMLFZBSTB-UHFFFAOYSA-N    		 O=C(O)c2cccc1cc(ccc12)c5ccc(OCc4c(onc4c3
    c(Cl)cccc3Cl)C(C)C)cc5; CC(C)c1c(c(no1)c
    2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)ccc
    c5C(=O)O; CC(C)c1onc(c1COc2ccc(cc2)c3ccc
    4c(cccc4C(O)=O)c3)c5c(Cl)cccc5Cl    		 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid
    30656 O64
    ZINC000058639000    		 2 C12 H11 Cl F3 N O2 InChI=1S/C12H11ClF3NO2/c1
    -2-7(6-18)17-11(19)8-4-3-
    5-9(10(8)13)12(14,15)16/h
    3-7H,2H2,1H3,(H,17,19)/t7
    -/m0/s1;
    NPWUKONGKBALPD-ZETCQYMHSA-N    		 CCC(C=O)NC(=O)c1cccc(c1Cl)C(F)(F)F; CC[C
    @H](NC(=O)c1cccc(c1Cl)C(F)(F)F)C=O; FC(F
    )(F)c1cccc(C(=O)NC(C=O)CC)c1Cl; CC[CH](N
    C(=O)c1cccc(c1Cl)C(F)(F)F)C=O; CC[C@@H](
    C=O)NC(=O)c1cccc(c1Cl)C(F)(F)F    		 2-chloro-N-[(1S)-1-formylpropyl]-3-(trifluoromethyl)benzamide
    30657 O65
    ZINC000068591213    		 0 C10 H12 O4 InChI=1S/C10H12O4/c1-6-8(
    4-11)2-7(10(13)14)3-9(6)5
    -12/h2-3,11-12H,4-5H2,1H3
    ,(H,13,14);
    TUVLEKCXFRQTBI-UHFFFAOYSA-N    		 Cc1c(CO)cc(cc1CO)C(O)=O; Cc1c(cc(cc1CO)C
    (=O)O)CO    		 3,5-bis(hydroxymethyl)-4-methyl-benzaldehyde
    30658 O66 1 C6 H8 N2 O3 InChI=1S/C6H8N2O3/c9-5(10
    )2-1-4-6(11)8-3-7-4/h3-4H
    ,1-2H2,(H,9,10)(H,7,8,11)
    /t4-/m1/s1;
    HEXMLHKQVUFYME-SCSAIBSYSA-N    		 OC(=O)CC[CH]1N=CNC1=O; C1=NC(C(=O)N1)CCC
    (=O)O; C1=N[C@@H](C(=O)N1)CCC(=O)O; OC(=
    O)CC[C@H]1N=CNC1=O    		 3-[(4~{R})-5-oxidanylidene-1,4-dihydroimidazol-4-yl]propanoic acid;
    Imidazol-4-one-5-propionic acid
    30659 O67 2 C19 H21 Br N4 O5 InChI=1S/C19H21BrN4O5/c1-
    3-18(26)24-8-13(9-24)21-1
    7(25)10-28-15-5-4-12(20)7
    -14(15)22-19(27)16-6-11(2
    )23-29-16/h4-7,13H,3,8-10
    H2,1-2H3,(H,21,25)(H,22,2
    7);
    NYUIRHGUWQWWSY-UHFFFAOYSA-N    		 CCC(=O)N1CC(C1)NC(=O)COc2ccc(Br)cc2NC(=O
    )c3onc(C)c3; CCC(=O)N1CC(C1)NC(COc2ccc(B
    r)cc2NC(=O)c3cc(C)no3)=O; CCC(=O)N1CC(C1
    )NC(=O)COc2ccc(cc2NC(=O)c3cc(no3)C)Br    		 N-(5-bromo-2-{2-oxo-2-[(1-propanoylazetidin-3-yl)amino]ethoxy}phenyl)-3-methyl-1,2-oxazole-5-carboxamide
    30660 O68 1 C10 H12 F N O S InChI=1S/C10H12FNOS/c1-12
    (6-7-14)10(13)8-2-4-9(11)
    5-3-8/h2-5,14H,6-7H2,1H3;
    PZXKCJSSRWHWDL-UHFFFAOYSA-N    		 CN(CCS)C(=O)c1ccc(cc1)F; CN(CCS)C(=O)c1c
    cc(F)cc1    		 4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
    30661 O69 3 C35 H31 N5 O2 InChI=1S/C35H31N5O2/c1-21
    (23-15-14-22-8-3-4-9-24(2
    2)16-23)38-35(42)29-12-7-
    13-31-32(29)40(27-17-26(1
    8-27)34(41)36-2)33(39-31)
    30-20-37-19-25-10-5-6-11-
    28(25)30/h3-16,19-21,26-2
    7H,17-18H2,1-2H3,(H,36,41
    )(H,38,42)/t21-,26-,27+/m
    0/s1;
    YXZCMQAWBHCPMS-NJTBCWBZSA-N    		 CNC(=O)[C@@H]1C[C@@H](C1)n2c(nc3cccc(C(=
    O)N[C@@H](C)c4ccc5ccccc5c4)c23)c6cncc7cc
    ccc67; CC(c1ccc2ccccc2c1)NC(=O)c3cccc4c3
    n(c(n4)c5cncc6c5cccc6)C7CC(C7)C(=O)NC; C
    [C@@H](c1ccc2ccccc2c1)NC(=O)c3cccc4c3n(c
    (n4)c5cncc6c5cccc6)C7CC(C7)C(=O)NC; CNC(
    =O)[CH]1C[CH](C1)n2c(nc3cccc(C(=O)N[CH](
    C)c4ccc5ccccc5c4)c23)c6cncc7ccccc67; CNC
    (=O)C1CC(C1)n1c2c(cccc2nc1c1cncc2ccccc21
    )C(=O)NC(C)c1cc2ccccc2cc1    		 (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide
    30662 O6A
    CHEMBL4576240    		 1 C19 H24 N4 O4 S InChI=1S/C19H24N4O4S/c20-
    12-13-1-5-16(6-2-13)28(25
    ,26)23-9-7-15(8-10-23)21-
    19(24)17-11-18(27-22-17)1
    4-3-4-14/h1-2,5-6,11,14-1
    5H,3-4,7-10,12,20H2,(H,21
    ,24);
    VYWACYQGNDEUMV-UHFFFAOYSA-N    		 NCc1ccc(cc1)[S](=O)(=O)N2CCC(CC2)NC(=O)c
    3cc(on3)C4CC4; c1cc(ccc1CN)S(=O)(=O)N2CC
    C(CC2)NC(=O)c3cc(on3)C4CC4; C2(CCN(S(c1c
    cc(CN)cc1)(=O)=O)CC2)NC(=O)c3cc(on3)C4CC
    4    		 N-(1-{[4-(aminomethyl)phenyl]sulfonyl}piperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
    30663 O6C
    ZINC000618008087    		 3 C22 H34 Cl N3 O3 S2 InChI=1S/C22H34ClN3O3S2/c
    1-22(2,29-19-7-5-18(23)6-
    8-19)21(28)26-12-9-17(10-
    13-26)20(27)24-11-15-30-3
    1-16-14-25(3)4/h5-8,17H,9
    -16H2,1-4H3,(H,24,27);
    AHTLZLMZYZBDHQ-UHFFFAOYSA-N    		 CC(C)(C(=O)N1CCC(CC1)C(=O)NCCSSCCN(C)C)O
    c2ccc(cc2)Cl; CN(C)CCSSCCNC(=O)C1CCN(CC1
    )C(=O)C(C)(C)Oc2ccc(Cl)cc2    		 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide
    30664 O6D
    CHEMBL5288469    		 1 C28 H27 N3 O4 InChI=1S/C28H27N3O4/c1-18
    -14-15-20(17-23(18)29)24-
    16-19(2)30-27(31-24)35-25
    (26(32)33)28(34-3,21-10-6
    -4-7-11-21)22-12-8-5-9-13
    -22/h4-17,25H,29H2,1-3H3,
    (H,32,33)/t25-/m1/s1;
    GDPBXJYDHBGQBK-RUZDIDTESA-N    		 c1(N)c(ccc(c1)c2cc(C)nc(n2)OC(C(O)=O)C(O
    C)(c3ccccc3)c4ccccc4)C; Cc1ccc(cc1N)c2cc
    (nc(n2)O[C@H](C(=O)O)C(c3ccccc3)(c4ccccc
    4)OC)C; Cc1ccc(cc1N)c2cc(nc(n2)OC(C(=O)O
    )C(c3ccccc3)(c4ccccc4)OC)C; COC([CH](Oc1
    nc(C)cc(n1)c2ccc(C)c(N)c2)C(O)=O)(c3cccc
    c3)c4ccccc4; COC([C@H](Oc1nc(C)cc(n1)c2c
    cc(C)c(N)c2)C(O)=O)(c3ccccc3)c4ccccc4    		 (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid
    30665 O6E 13 C33 H38 N4 O6 InChI=1S/C33H38N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h8,13-15,19-20,35H,2,7
    ,9-12H2,1,3-6H3,(H,36,43)
    (H,37,42)(H,38,39)(H,40,4
    1)/b26-13-,27-14-,28-15-/
    t19-,20-/m1/s1;
    SRFSSETUPHUBBC-GMXXPEQVSA-N    		 CC[C@@H]\1[C@H](C(=O)N/C1=C\c2c(c(c([nH]
    2)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)
    C=C)C)C)CCC(=O)O)CCC(=O)O)C)C; CC[C@@H]\
    1[C@@H](C)C(=O)NC\1=C\c2[nH]c(\C=C3/N=C(
    /C=C/4NC(=O)C(=C/4C)C=C)C(=C3CCC(O)=O)C)
    c(CCC(O)=O)c2C; CC[CH]1[CH](C)C(=O)NC1=C
    c2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)C=C)C(=
    C3CCC(O)=O)C)c(CCC(O)=O)c2C; CCC1C(C(=O)
    NC1=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4C(
    =C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C    		 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
    30666 O6F 1 C26 H33 N3 O3 S InChI=1S/C26H33N3O3S/c1-8
    -29(26(4,5)6)25(30)24-27-
    22(21-10-9-13-33-21)23-18
    -15-20(32-16(2)3)19(31-7)
    14-17(18)11-12-28(23)24/h
    9-10,13-16H,8,11-12H2,1-7
    H3;
    DNSWBPOFBBWYJX-UHFFFAOYSA-N    		 CCN(C(=O)c1nc(c-2n1CCc3c2cc(c(c3)OC)OC(C
    )C)c4cccs4)C(C)(C)C; CCN(C(=O)c1nc(c2scc
    c2)c3n1CCc4cc(OC)c(OC(C)C)cc34)C(C)(C)C    		 N-tert-butyl-N-ethyl-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide
    30667 O6G 1 C14 H17 N3 O2 S InChI=1S/C14H17N3O2S/c1-3
    -4-7-20(18,19)17-11-5-6-1
    3-12(8-11)10(2)14(9-15)16
    -13/h5-6,8,16-17H,3-4,7H2
    ,1-2H3;
    NYTQGHHTLNYRJR-UHFFFAOYSA-N    		 CCCC[S](=O)(=O)Nc1ccc2[nH]c(C#N)c(C)c2c1
    ; c2(cc1c(C)c(C#N)nc1cc2)NS(CCCC)(=O)=O;
    CCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)
    C    		 N-(2-cyano-3-methyl-1H-indol-5-yl)butane-1-sulfonamide
    30668 O6H 0 C12 H17 N O2 InChI=1S/C12H17NO2/c1-7-4
    -8(2)10(9(3)5-7)6-11(13)1
    2(14)15/h4-5,11H,6,13H2,1
    -3H3,(H,14,15)/t11-/m0/s1;
    CRNOZLNQYAUXRK-NSHDSACASA-N    		 Cc1cc(C)c(C[CH](N)C(O)=O)c(C)c1; Cc1cc(c
    (c(c1)C)CC(C(=O)O)N)C; Cc1cc(C)c(C[C@H](
    N)C(O)=O)c(C)c1; Cc1cc(c(c(c1)C)C[C@@H](
    C(=O)O)N)C    		 2,4,6-trimethyl-L-phenylalanine;
    (2~{S})-2-azanyl-3-(2,4,6-trimethylphenyl)propanal
    30669 O6I
    CHEMBL5186489    		 4 C12 H21 N3 InChI=1S/C12H21N3/c1-10-8
    -11(14-12(13)9-10)6-4-5-7
    -15(2)3/h8-9H,4-7H2,1-3H3
    ,(H2,13,14);
    DBXKFDZMVGIZFJ-UHFFFAOYSA-N    		 Cc1cc(nc(c1)N)CCCCN(C)C; CN(C)CCCCc1cc(C
    )cc(N)n1; Cc1cc(CCCCN(C)C)nc(N)c1    		 6-[4-(dimethylamino)butyl]-4-methylpyridin-2-amine
    30670 O6J 1 C15 H19 N3 O2 S InChI=1S/C15H19N3O2S/c1-3
    -4-5-8-21(19,20)18-12-6-7
    -14-13(9-12)11(2)15(10-16
    )17-14/h6-7,9,17-18H,3-5,
    8H2,1-2H3;
    YSEFPNYCRCSWGW-UHFFFAOYSA-N    		 CCCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)
    C; c1(cc2c(cc1)nc(c2C)C#N)NS(CCCCC)(=O)=
    O; CCCCC[S](=O)(=O)Nc1ccc2[nH]c(C#N)c(C)
    c2c1    		 N-(2-cyano-3-methyl-1H-indol-5-yl)pentane-1-sulfonamide
    30671 O6K 15 C31 H41 N5 O7 InChI=1S/C31H41N5O7/c1-31
    (2,3)43-30(42)35-22-10-7-
    15-36(29(22)41)24(16-19-1
    1-12-19)27(39)34-23(17-21
    -13-14-32-26(21)38)25(37)
    28(40)33-18-20-8-5-4-6-9-
    20/h4-10,15,19,21,23-25,3
    7H,11-14,16-18H2,1-3H3,(H
    ,32,38)(H,33,40)(H,34,39)
    (H,35,42)/t21-,23-,24-,25
    +/m0/s1;
    FRACPXUHUTXLCX-BELIEFIBSA-N    		 CC(C)(C)OC(=O)NC1=CC=CN(C1=O)C(CC2CC2)C(
    =O)NC(CC3CCNC3=O)C(C(=O)NCc4ccccc4)O; CC
    (C)(C)OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2CC2
    )C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](C(=O
    )NCc4ccccc4)O; CC(C)(C)OC(=O)NC1=CC=CN([
    CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH]
    (O)C(=O)NCc4ccccc4)C1=O; CC(C)(C)OC(=O)N
    C1=CC=CN([C@@H](CC2CC2)C(=O)N[C@@H](C[C@
    @H]3CCNC3=O)[C@@H](O)C(=O)NCc4ccccc4)C1=
    O    		 ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate;
    (S,S,S)-13b;
    13b-K;
    ketoamide inhibitor 13b (bound)
    30672 O6L 2 C20 H26 Cl2 N2 O3 InChI=1S/C20H26Cl2N2O3/c2
    1-13-18(25)23-14-15-7-11-
    24(12-8-15)19(26)20(9-1-2
    -10-20)27-17-5-3-16(22)4-
    6-17/h3-6,15H,1-2,7-14H2,
    (H,23,25);
    ZLBLVMWFLKBHSC-UHFFFAOYSA-N    		 c1cc(ccc1OC2(CCCC2)C(=O)N3CCC(CC3)CNC(=O
    )CCl)Cl; ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCC
    C2)Oc3ccc(Cl)cc3    		 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide
    30673 O6M
    CHEMBL4297376
    DB12505
    ZINC000000008704    		 5 C17 H12 N4 O2 S InChI=1S/C17H12N4O2S/c1-1
    1-5-6-15(17-16(11)13(9-19
    )10-20-17)21-24(22,23)14-
    4-2-3-12(7-14)8-18/h2-7,1
    0,20-21H,1H3;
    LWGUASZLXHYWIV-UHFFFAOYSA-N    		 c1(cccc(c1)S(Nc2ccc(C)c3c(cnc23)C#N)(=O)
    =O)C#N; Cc1ccc(c2c1c(c[nH]2)C#N)NS(=O)(=
    O)c3cccc(c3)C#N; Cc1ccc(N[S](=O)(=O)c2cc
    cc(c2)C#N)c3[nH]cc(C#N)c13    		 3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide
    30674 O6O 7 C21 H19 N O5 InChI=1S/C21H19NO5/c23-17
    -13-20(22-6-8-24-9-7-22)2
    7-21-15(2-1-3-16(17)21)14
    -4-5-18-19(12-14)26-11-10
    -25-18/h1-5,12-13H,6-11H2;
    PZGGPBWCQBEFPX-UHFFFAOYSA-N    		 O=C1C=C(Oc2c1cccc2c3ccc4OCCOc4c3)N5CCOCC
    5; c1cc(c2c(c1)C(=O)C=C(O2)N3CCOCC3)c4cc
    c5c(c4)OCCO5; O=C1C=C(Oc2c(cccc21)c1ccc2
    OCCOc2c1)N1CCOCC1    		 (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one
    30675 O6P
    CHEMBL491571
    DB06211
    ZINC000003922770    		 2 C15 H24 N4 O6 S2 InChI=1S/C15H24N4O6S2/c1-
    6-11-10(7(2)20)14(21)19(1
    1)12(15(22)23)13(6)26-9-3
    -8(17-5-9)4-18-27(16,24)2
    5/h6-11,17-18,20H,3-5H2,1
    -2H3,(H,22,23)(H2,16,24,2
    5)/t6-,7-,8+,9+,10-,11-/m
    1/s1;
    AVAACINZEOAHHE-VFZPANTDSA-N    		 C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C
    1=O)C(O)=O)S[C@@H]3CN[C@H](CN[S](N)(=O)=
    O)C3; C2(C(SC1CC(CNS(N)(=O)=O)NC1)=C(C(O
    )=O)N3C2C(C3=O)C(C)O)C; CC1C2C(C(=O)N2C(
    =C1SC3CC(NC3)CNS(=O)(=O)N)C(=O)O)C(C)O;
    C[CH](O)[CH]1[CH]2[CH](C)C(=C(N2C1=O)C(O
    )=O)S[CH]3CN[CH](CN[S](N)(=O)=O)C3; C[C@
    @H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@
    H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O    		 Doripenem;
    (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-aza bicyclo[3.2.0]hept-2-ene-2-carboxylic acid
    30676 O6Q 1 C9 H8 Cl2 N2 O3 S InChI=1S/C9H8Cl2N2O3S/c10
    -7-2-1-6(3-8(7)11)4-13-5-
    9(14)12-17(13,15)16/h1-3H
    ,4-5H2,(H,12,14);
    YGRAWJOPHDOUHR-UHFFFAOYSA-N    		 Clc1ccc(CN2CC(=O)N[S]2(=O)=O)cc1Cl; c1cc
    (c(cc1CN2CC(=O)NS2(=O)=O)Cl)Cl; O=C1CN(C
    c2ccc(Cl)c(Cl)c2)S(=O)(=O)N1    		 5-[(3,4-dichlorophenyl)methyl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione
    30677 O6R 1 C20 H16 F N5 O3 InChI=1S/C20H16FN5O3/c1-1
    1-14(18(27)15-9-22-25(2)1
    9(15)28)7-8-16-17(11)20(2
    9)26(24-23-16)10-12-3-5-1
    3(21)6-4-12/h3-9,22H,10H2
    ,1-2H3;
    XLAQKLPXLFFPBL-UHFFFAOYSA-N    		 Cc1c(ccc2c1C(=O)N(N=N2)Cc3ccc(cc3)F)C(=O
    )C4=CNN(C4=O)C; CN1NC=C(C1=O)C(=O)c2ccc3
    N=NN(Cc4ccc(F)cc4)C(=O)c3c2C    		 3-[(4-fluorophenyl)methyl]-5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-1,2,3-benzotriazin-4-one
    30678 O6S
    ZINC000017988990    		 8 C24 H19 N3 O5 S InChI=1S/C24H19N3O5S/c28-
    20-13-31-18-9-5-4-8-17(18
    )27(20)11-10-21(29)32-12-
    19-25-23(30)22-16(14-33-2
    4(22)26-19)15-6-2-1-3-7-1
    5/h1-9,14H,10-13H2,(H,25,
    26,30);
    YOFCRYWWKQMPEW-UHFFFAOYSA-N    		 O=C(CCN1C(=O)COc2ccccc12)OCC3=Nc4scc(c5c
    cccc5)c4C(=O)N3; C(CCN2C(COc1ccccc12)=O)
    (=O)OCC5=Nc3c(c(cs3)c4ccccc4)C(N5)=O; c1
    ccc(cc1)c2csc3c2C(=O)NC(=N3)COC(=O)CCN4c
    5ccccc5OCC4=O    		 (4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl 3-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate
    30679 O6T 4 C29 H37 Fe N7 O6 S InChI=1S/C29H41N7O6S.Fe/c
    1-27(2)22(38)35-28(3,4)24
    (40)31-16-11-10-15(13-17(
    16)32-25(41)29(5,6)36-23(
    27)39)21(37)30-12-8-7-9-1
    9-20-18(14-43-19)33-26(42
    )34-20;/h10-11,13,18-20H,
    7-9,12,14H2,1-6H3,(H7,30,
    31,32,33,34,35,36,37,38,3
    9,40,41,42);/q;+4/p-4/t18
    -,19-,20-;/m0./s1;
    IYJBOKSRDTURER-HBSNOMOYSA-J    		 CC1(C(=O)N2C(C(=O)N3[Fe]24N(c5c3ccc(c5)C
    (=O)NCCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7
    )C(=O)C(N4C1=O)(C)C)(C)C)C; CC1(C)N2C(=O
    )C(C)(C)C(=O)N3C(C)(C)C(=O)N4c5cc(ccc5N(
    C1=O)[Fe@@]234)C(=O)NCCCC[C@@H]6SC[C@@H]
    7NC(=O)N[C@H]67; CC1(C(=O)N2C(C(=O)N3[Fe
    ]24N(c5c3ccc(c5)C(=O)NCCCCC6C7C(CS6)NC(=
    O)N7)C(=O)C(N4C1=O)(C)C)(C)C)C; CC1(C)N2
    C(=O)C(C)(C)C(=O)N3C(C)(C)C(=O)N4c5cc(cc
    c5N(C1=O)[Fe]234)C(=O)NCCCC[CH]6SC[CH]7N
    C(=O)N[CH]67    		 biotC4-1 cofactor
    30680 O6U 1 C27 H41 F2 N5 O InChI=1S/C27H41F2N5O/c1-7
    -8-23(32-20-10-9-18-11-19
    (28)12-22(29)21(18)13-20)
    25(35)33-24-14-34(17-31-2
    4)27(5,6)16-30-15-26(2,3)
    4/h11-12,14,17,20,23,30,3
    2H,7-10,13,15-16H2,1-6H3,
    (H,33,35)/t20-,23-/m0/s1;
    VFCRKLWBYMDAED-REWPJTCUSA-N    		 CCC[CH](N[CH]1CCc2cc(F)cc(F)c2C1)C(=O)Nc
    3cn(cn3)C(C)(C)CNCC(C)(C)C; CCC[C@@H](C(
    =O)Nc1cn(cn1)C(C)(C)CNCC(C)(C)C)N[C@H]2C
    Cc3cc(cc(c3C2)F)F; CCCC(C(=O)Nc1cn(cn1)C
    (C)(C)CNCC(C)(C)C)NC2CCc3cc(cc(c3C2)F)F;
    CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O
    )Nc3cn(cn3)C(C)(C)CNCC(C)(C)C    		 (2S)-2-[[(2S)-6,8-bis(fluoranyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methyl-propan-2-yl]imidazol-4-yl]pentanamide;
    Nirogacestat
    30681 O6V
    ZINC000009155420    		 4 C24 H19 N3 O4 S2 InChI=1S/C24H19N3O4S2/c1-
    13(31-19(28)11-18-22(29)2
    5-16-9-5-6-10-17(16)33-18
    )21-26-23(30)20-15(12-32-
    24(20)27-21)14-7-3-2-4-8-
    14/h2-10,12-13,18H,11H2,1
    H3,(H,25,29)(H,26,27,30)/
    t13-,18-/m0/s1;
    KTBNGJHCLCHCKH-UGSOOPFHSA-N    		 C[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C3=N
    c4scc(c5ccccc5)c4C(=O)N3; CC(C1=Nc2c(c(c
    s2)c3ccccc3)C(=O)N1)OC(=O)CC4C(=O)Nc5ccc
    cc5S4; C[C@@H](C1=Nc2c(c(cs2)c3ccccc3)C(
    =O)N1)OC(=O)C[C@H]4C(=O)Nc5ccccc5S4; C[C
    H](OC(=O)C[CH]1Sc2ccccc2NC1=O)C3=Nc4scc(
    c5ccccc5)c4C(=O)N3; CC(OC(=O)CC2Sc1ccccc
    1NC2=O)C=3NC(c5c(N=3)scc5c4ccccc4)=O    		 (1S)-1-(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl [(2S)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetate
    30682 O6W 8 C13 H13 F3 N2 O2 S InChI=1S/C13H13F3N2O2S/c1
    4-13(15,16)5-1-7-21(19,20
    )18-12-3-2-11-9-17-6-4-10
    (11)8-12/h2-4,6,8-9,18H,1
    ,5,7H2;
    MPUJMWAAXOTDHM-UHFFFAOYSA-N    		 c1cc2cnccc2cc1NS(=O)(=O)CCCC(F)(F)F; FC(
    F)(F)CCC[S](=O)(=O)Nc1ccc2cnccc2c1    		 4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide
    30683 O6X 2 C22 H22 F3 N5 O5 InChI=1S/C22H22F3N5O5/c1-
    34-18-10-16-13(11-30(28-1
    6)12-19(31)29-5-7-35-8-6-
    29)9-17(18)27-21(33)15-4-
    2-3-14(26-15)20(32)22(23,
    24)25/h2-4,9-11,20,32H,5-
    8,12H2,1H3,(H,27,33)/t20-
    /m1/s1;
    UZYWWOWQGPMEIC-HXUWFJFHSA-N    		 COc1cc2c(cc1NC(=O)c3cccc(n3)C(C(F)(F)F)O
    )cn(n2)CC(=O)N4CCOCC4; COc1cc2nn(CC(=O)N
    3CCOCC3)cc2cc1NC(=O)c4cccc(n4)[C@@H](O)C
    (F)(F)F; COc1cc2c(cc1NC(=O)c3cccc(n3)[C@
    H](C(F)(F)F)O)cn(n2)CC(=O)N4CCOCC4; COc1
    cc2nn(CC(=O)N3CCOCC3)cc2cc1NC(=O)c4cccc(
    n4)[CH](O)C(F)(F)F    		 ~{N}-[6-methoxy-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indazol-5-yl]-6-[(1~{R})-2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]pyridine-2-carboxamide
    30684 O6Y
    CHEMBL4641779    		 2 C20 H20 N2 O3 InChI=1S/C20H20N2O3/c1-15
    -12-19(7-4-17(15)14-21)25
    -18-5-2-16(3-6-18)13-20(2
    3)22-8-10-24-11-9-22/h2-7
    ,12H,8-11,13H2,1H3;
    QOJWBEUMAJACBY-UHFFFAOYSA-N    		 Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOCC3;
    c2(Oc1cc(C)c(cc1)C#N)ccc(cc2)CC(=O)N3CC
    OCC3; Cc1cc(Oc2ccc(CC(=O)N3CCOCC3)cc2)cc
    c1C#N    		 2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile
    30685 O6Z
    CHEMBL5203400    		 2 C11 H15 N3 O2 S InChI=1S/C11H15N3O2S/c1-2
    -3-6-17(15,16)14-10-4-5-1
    1-9(7-10)8-12-13-11/h4-5,
    7-8,14H,2-3,6H2,1H3,(H,12
    ,13);
    OPXDHLZGQKADDC-UHFFFAOYSA-N    		 CCCCS(=O)(=O)Nc1ccc2c(c1)cn[nH]2; CCCC[S
    ](=O)(=O)Nc1ccc2[nH]ncc2c1    		 ~{N}-(1~{H}-indazol-5-yl)butane-1-sulfonamide
    30686 O71 1 C25 H24 N4 O4 InChI=1S/C25H24N4O4/c1-3-
    20-18(24(26)29-25(27)28-2
    0)9-4-14(2)17-11-19(23-21
    (12-17)32-13-33-23)16-7-5
    -15(6-8-16)10-22(30)31/h5
    -8,11-12,14H,3,10,13H2,1-
    2H3,(H,30,31)(H4,26,27,28
    ,29)/t14-/m1/s1;
    DFNOGZMANMBRCF-CQSZACIVSA-N    		 CCc1nc(N)nc(N)c1C#C[C@@H](C)c2cc3OCOc3c(
    c2)c4ccc(CC(O)=O)cc4; c4(CC)c(C#CC(c1cc3
    c(c(c1)c2ccc(cc2)CC(O)=O)OCO3)C)c(nc(n4)
    N)N; CCc1c(c(nc(n1)N)N)C#CC(C)c2cc(c3c(c
    2)OCO3)c4ccc(cc4)CC(=O)O; CCc1c(c(nc(n1)
    N)N)C#C[C@@H](C)c2cc(c3c(c2)OCO3)c4ccc(c
    c4)CC(=O)O; CCc1nc(N)nc(N)c1C#C[CH](C)c2
    cc3OCOc3c(c2)c4ccc(CC(O)=O)cc4    		 (4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}phenyl)acetic acid
    30687 O72
    ZINC000000154302    		 2 C8 H7 N3 InChI=1S/C8H7N3/c9-8-7-6(
    3-5-11-8)2-1-4-10-7/h1-5H
    ,(H2,9,11);
    LRKLTZGZHDEBME-UHFFFAOYSA-N    		 Nc1nccc2cccnc12; c1cc2ccnc(c2nc1)N 1,7-naphthyridin-8-amine
    30688 O73
    ZINC000100601349    		 4 C21 H24 N4 O5 InChI=1S/C21H24N4O5/c1-13
    -16(12-30-15-7-5-14(6-8-1
    5)25(28)29)19-20(24(13)2)
    18(26)11-17(21(19)27)23-1
    0-4-3-9-22/h5-8,11,23H,3-
    4,9-10,12,22H2,1-2H3;
    VZTIVOFFCAESGN-UHFFFAOYSA-N    		 Cn1c(C)c(COc2ccc(cc2)[N+]([O-])=O)c3C(=O
    )C(=CC(=O)c13)NCCCCN; Cc1c(c2c(n1C)C(=O)
    C=C(C2=O)NCCCCN)COc3ccc(cc3)[N+](=O)[O-]
    ; [O-][N+](=O)c3ccc(OCc1c(n(c2c1C(=O)C(=
    CC2=O)NCCCCN)C)C)cc3    		 5-[(4-aminobutyl)amino]-1,2-dimethyl-3-[(4-nitrophenoxy)methyl]-1H-indole-4,7-dione
    30689 O74 4 C20 H14 Cl N3 O InChI=1S/C20H14ClN3O/c21-
    15-9-3-5-11-17(15)23-19-1
    3-7-1-4-10-16(13)22-20(24
    -19)14-8-2-6-12-18(14)25/
    h1-12,22H,(H,23,24)/b20-1
    4-;
    XRYKEDVLEAYCKO-ZHZULCJRSA-N    		 c1ccc2c(c1)C(=N/C(=C/3\C=CC=CC3=O)/N2)Nc
    4ccccc4Cl; Clc1ccccc1NC4=N\C(=C2\C=CC=CC
    2=O)Nc3ccccc34; Clc1ccccc1NC2=NC(Nc3cccc
    c23)=C4C=CC=CC4=O; Clc1ccccc1NC2=N\C(Nc3
    ccccc23)=C4/C=CC=CC4=O; c1ccc2c(c1)C(=NC
    (=C3C=CC=CC3=O)N2)Nc4ccccc4Cl    		 6-[4-(2-chloroanilino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one
    30690 O75
    CHEMBL1234898
    ZINC000058660795    		 1 C27 H28 F3 N5 O InChI=1S/C27H28F3N5O/c1-4
    -8-23-16-24(33-25(17-31)3
    2-23)20-13-21(15-22(14-20
    )27(28,29)30)26(36)35(12-
    11-34(2)3)18-19-9-6-5-7-1
    0-19/h5-7,9-10,13-16H,4,8
    ,11-12,18H2,1-3H3;
    AGGVJWZHDDIPAU-UHFFFAOYSA-N    		 CCCc1cc(nc(n1)C#N)c2cc(cc(c2)C(F)(F)F)C(
    =O)N(CCN(C)C)Cc3ccccc3; N#Cc3nc(c2cc(C(=
    O)N(Cc1ccccc1)CCN(C)C)cc(c2)C(F)(F)F)cc(
    n3)CCC    		 N-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide
    30691 O76 1 C23 H20 N4 O5 InChI=1S/C23H20N4O5/c1-4-
    32-23(31)20-25-17-11-10-1
    5(19(28)16-12-24-26(3)21(
    16)29)13(2)18(17)22(30)27
    (20)14-8-6-5-7-9-14/h5-12
    ,24H,4H2,1-3H3;
    OYVHCUSIQQVQNU-UHFFFAOYSA-N    		 CCOC(=O)C1=Nc2ccc(c(c2C(=O)N1c3ccccc3)C)
    C(=O)C4=CNN(C4=O)C; CCOC(=O)C1=Nc2ccc(c(
    C)c2C(=O)N1c3ccccc3)C(=O)C4=CNN(C)C4=O    		 ethyl 5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-4-oxidanylidene-3-phenyl-quinazoline-2-carboxylate
    30692 O77 2 C10 H16 N4 O4 InChI=1S/C10H16N4O4/c11-7
    (9(15)16)1-2-13-8(10(17)1
    8)3-6-4-12-5-14-6/h4-5,7-
    8,13H,1-3,11H2,(H,12,14)(
    H,15,16)(H,17,18)/t7-,8-/
    m0/s1;
    PQUPEWJRDBYFHU-YUMQZZPRSA-N    		 N[CH](CCN[CH](Cc1[nH]cnc1)C(O)=O)C(O)=O;
    C(O)(C(NCCC(C(=O)O)N)Cc1cncn1)=O; c1c([
    nH]cn1)CC(C(=O)O)NCCC(C(=O)O)N; c1c([nH]
    cn1)C[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N; N
    [C@@H](CCN[C@@H](Cc1[nH]cnc1)C(O)=O)C(O)
    =O    		 N-[(3S)-3-amino-3-carboxypropyl]-L-histidine
    30693 O78 3 C7 H9 N O2 InChI=1S/C7H9NO2/c8-6-3-1
    -2-5(4-6)7(9)10/h4,8H,1-3
    H2,(H,9,10)/b8-6-;
    QYQCRKOROWCYTP-VURMDHGXSA-N    		 [H]/N=C\1/CCCC(=C1)C(=O)O; C1CC(=CC(=N)C
    1)C(=O)O; OC(=O)C1=CC(=N)CCC1; C1C\C(=N)
    C=C(C1)C(=O)O    		 (3Z)-3-iminocyclohex-1-ene-1-carboxylic acid
    30694 O7A
    ZINC000013352720    		 0 C5 H11 N O3 InChI=1S/C5H11NO3/c1-3(7)
    4(6-2)5(8)9/h3-4,6-7H,1-2
    H3,(H,8,9)/t3-,4-/m0/s1;
    CCAIIPMIAFGKSI-IMJSIDKUSA-N    		 CC(C(C(=O)O)NC)O; C[C@@H]([C@@H](C(=O)O)
    NC)O; CN[C@@H]([C@H](C)O)C(O)=O; CNC(C(=
    O)O)C(O)C; CN[CH]([CH](C)O)C(O)=O    		 N-methyl-L-allothreonine
    30695 O7B
    CHEMBL1189679
    DB00377
    ZINC000003795819    		 20 C19 H24 N2 O InChI=1S/C19H24N2O/c22-19
    -16-6-2-4-14-3-1-5-15(18(
    14)16)11-21(19)17-12-20-9
    -7-13(17)8-10-20/h2,4,6,1
    3,15,17H,1,3,5,7-12H2/t15
    -,17-/m1/s1;
    CPZBLNMUGSZIPR-NVXWUHKLSA-N    		 c1cc2c3c(c1)C(=O)N(C[C@H]3CCC2)[C@@H]4CN
    5CCC4CC5; O=C1N(C[C@H]2CCCc3cccc1c23)[C@
    @H]4CN5CCC4CC5; O=C1N(C[CH]2CCCc3cccc1c2
    3)[CH]4CN5CCC4CC5; c1cc2c3c(c1)C(=O)N(CC
    3CCC2)C4CN5CCC4CC5    		 (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one;
    Palonosetron;
    Aloxi
    30696 O7C 1 C23 H22 N2 O4 InChI=1S/C23H22N2O4/c1-14
    -16(22(28)20-18(26)9-6-10
    -19(20)27)11-12-17-21(14)
    25(23(29)24(17)2)13-15-7-
    4-3-5-8-15/h3-5,7-8,11-12
    ,26H,6,9-10,13H2,1-2H3;
    BLDJZCZVJMSDIC-UHFFFAOYSA-N    		 CN1C(=O)N(Cc2ccccc2)c3c(C)c(ccc13)C(=O)C
    4=C(O)CCCC4=O; Cc1c(ccc2c1N(C(=O)N2C)Cc3
    ccccc3)C(=O)C4=C(CCCC4=O)O    		 1,4-dimethyl-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)benzimidazol-2-one
    30697 O7D 0 C13 H16 N2 O3 InChI=1S/C13H16N2O3/c1-14
    -10(13(16)17)6-8-7-15-9-4
    -3-5-11(18-2)12(8)9/h3-5,
    7,10,14-15H,6H2,1-2H3,(H,
    16,17)/t10-/m0/s1;
    JOAGQVMOKFVKHN-JTQLQIEISA-N    		 CNC(Cc1c[nH]c2c1c(ccc2)OC)C(=O)O; CN[C@@
    H](Cc1c[nH]c2c1c(ccc2)OC)C(=O)O; CN[C@@H
    ](Cc1c[nH]c2cccc(OC)c12)C(O)=O; CNC(Cc1c
    nc2cccc(c12)OC)C(=O)O; CN[CH](Cc1c[nH]c2
    cccc(OC)c12)C(O)=O    		 4-methoxy-N-methyl-L-tryptophan
    30698 O7E
    ZINC000098209257    		 2 C12 H17 N2 O11 P InChI=1S/C12H17N2O11P/c1-
    2-23-11(18)5-3-7(15)13-12
    (19)14(5)10-9(17)8(16)6(2
    5-10)4-24-26(20,21)22/h3,
    6,8-10,16-17H,2,4H2,1H3,(
    H,13,15,19)(H2,20,21,22)/
    t6-,8-,9-,10-/m1/s1;
    DZWXMWNQARNSMH-PEBGCTIMSA-N    		 CCOC(=O)C1=CC(=O)NC(=O)N1C2C(C(C(O2)COP(
    =O)(O)O)O)O; CCOC(=O)C1=CC(=O)NC(=O)N1[C
    H]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O; CC
    OC(=O)C1=CC(=O)NC(=O)N1[C@@H]2O[C@H](CO[
    P](O)(O)=O)[C@@H](O)[C@H]2O; CCOC(=O)C1=
    CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](
    O2)COP(=O)(O)O)O)O; O=C(OCC)C=1N(C(=O)NC
    (=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O    		 6-(ethoxycarbonyl)uridine 5'-(dihydrogen phosphate)
    30699 O7F 8 C16 H19 N3 O6 S2 InChI=1S/C16H19N3O6S2/c17
    -12-2-1-3-13(10-12)26(22,
    23)18-6-8-19(9-7-18)27(24
    ,25)14-4-5-15(20)16(21)11
    -14/h1-5,10-11,20-21H,6-9
    ,17H2;
    QVDPVEUJCVOZAG-UHFFFAOYSA-N    		 Nc1cccc(c1)[S](=O)(=O)N2CCN(CC2)[S](=O)(
    =O)c3ccc(O)c(O)c3; O=S(=O)(c1cc(O)c(O)cc
    1)N1CCN(CC1)S(=O)(=O)c1cc(N)ccc1; c1cc(c
    c(c1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc(c
    (c3)O)O)N    		 4-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol
    30700 O7G
    ZINC000000402067    		 0 C7 H15 N O2 InChI=1S/C7H15NO2/c1-5(2)
    6(7(9)10)8(3)4/h5-6H,1-4H
    3,(H,9,10)/t6-/m0/s1;
    APGLTERDKORUHK-LURJTMIESA-N    		 CC(C)[C@H](N(C)C)C(O)=O; CC(C)C(C(=O)O)N
    (C)C; CC(C)[CH](N(C)C)C(O)=O; CC(C)[C@@H
    ](C(=O)O)N(C)C; N(C)(C)C(C(=O)O)C(C)C    		 N,N-dimethyl-L-valine
    30701 O7I 1 C22 H22 N2 O3 InChI=1S/C22H22N2O3/c1-2-
    27-16-8-10-18-20(12-16)23
    -13-24-21(18)15-7-9-17(22
    (25)26)19(11-15)14-5-3-4-
    6-14/h7-14H,2-6H2,1H3,(H,
    25,26);
    LIZGTJPPOJGDHW-UHFFFAOYSA-N    		 CCOc1ccc2c(c1)ncnc2c3ccc(c(c3)C4CCCC4)C(
    =O)O; CCOc1ccc2c(c1)ncnc2c3ccc(C(O)=O)c(
    c3)C4CCCC4; O=C(O)c1ccc(cc1C1CCCC1)c1ncn
    c2cc(ccc21)OCC    		 (4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid
    30702 O7J 2 C15 H22 N4 O8 InChI=1S/C15H22N4O8/c20-1
    2(21)2-1-9(13(22)23)19-10
    (14(24)25)3-4-17-11(15(26
    )27)5-8-6-16-7-18-8/h6-7,
    9-11,17,19H,1-5H2,(H,16,1
    8)(H,20,21)(H,22,23)(H,24
    ,25)(H,26,27)/t9-,10-,11-
    /m0/s1;
    RLSXUJSGKUUKFH-DCAQKATOSA-N    		 OC(=O)CC[CH](N[CH](CCN[CH](Cc1[nH]cnc1)C
    (O)=O)C(O)=O)C(O)=O; OC(C(CCNC(C(O)=O)Cc
    1cncn1)NC(CCC(O)=O)C(O)=O)=O; OC(=O)CC[C
    @H](N[C@@H](CCN[C@@H](Cc1[nH]cnc1)C(O)=O
    )C(O)=O)C(O)=O; c1c([nH]cn1)C[C@@H](C(=O
    )O)NCC[C@@H](C(=O)O)N[C@@H](CCC(=O)O)C(=
    O)O; c1c([nH]cn1)CC(C(=O)O)NCCC(C(=O)O)N
    C(CCC(=O)O)C(=O)O    		 N-[(1S)-1-carboxy-3-{[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}propyl]-L-glutamic acid
    30703 O7K 1 C25 H23 Cl F2 N4 O3 InChI=1S/C25H23ClF2N4O3/c
    1-4-19(34)31-11-17-25(35)
    30(3)16-9-29-23-13(24(16)
    32(17)10-12(31)2)8-14(26)
    20(22(23)28)21-15(27)6-5-
    7-18(21)33/h5-9,12,17,33H
    ,4,10-11H2,1-3H3/t12-,17-
    /m1/s1;
    PJYYTOVRCBFDTN-SJKOYZFVSA-N    		 CCC(=O)N1CC2C(=O)N(c3cnc4c(c3N2CC1C)cc(c
    (c4F)c5c(cccc5F)O)Cl)C; CCC(=O)N1C[C@H]2
    N(C[C@H]1C)c3c(cnc4c(F)c(c(Cl)cc34)c5c(O
    )cccc5F)N(C)C2=O; CCC(=O)N1C[C@@H]2C(=O)
    N(c3cnc4c(c3N2C[C@H]1C)cc(c(c4F)c5c(cccc
    5F)O)Cl)C; CCC(=O)N1C[CH]2N(C[CH]1C)c3c(
    cnc4c(F)c(c(Cl)cc34)c5c(O)cccc5F)N(C)C2=
    O    		 pyrazinoquinolinone;
    (2R,4aR)-3-acryloyl-11-chloro-9-fluoro-10-(2-fluoro-6-hydroxyphenyl)-2,6-dimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1',2':4,5]pyrazino[2,3-c]quinolin-5(6H)-one.
    30704 O7L
    CHEMBL1650234
    ZINC000000128854    		 2 C7 H5 N O S InChI=1S/C7H5NOS/c1-5(9)7
    -3-2-6(4-8)10-7/h2-3H,1H3;
    VSHPLUBHIUFLES-UHFFFAOYSA-N    		 CC(=O)c1ccc(s1)C#N; CC(=O)c1sc(cc1)C#N 5-ethanoylthiophene-2-carbonitrile
    30705 O7M
    ZINC000098209258    		 2 C11 H15 N2 O11 P InChI=1S/C11H15N2O11P/c1-
    22-10(17)4-2-6(14)12-11(1
    8)13(4)9-8(16)7(15)5(24-9
    )3-23-25(19,20)21/h2,5,7-
    9,15-16H,3H2,1H3,(H,12,14
    ,18)(H2,19,20,21)/t5-,7-,
    8-,9-/m1/s1;
    VOHILSGGFMXAFJ-ZOQUXTDFSA-N    		 COC(=O)C1=CC(=O)NC(=O)N1C2C(C(C(O2)COP(=
    O)(O)O)O)O; COC(=O)C1=CC(=O)NC(=O)N1[C@@
    H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
    ; O=C(OC)C=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2
    O)COP(=O)(O)O; COC(=O)C1=CC(=O)NC(=O)N1[
    C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)
    O)O; COC(=O)C1=CC(=O)NC(=O)N1[CH]2O[CH](
    CO[P](O)(O)=O)[CH](O)[CH]2O    		 6-(methoxycarbonyl)uridine 5'-(dihydrogen phosphate)
    30706 O7N 2 C30 H50 N10 O5 InChI=1S/C30H50N10O5/c31-
    13-4-1-10-22-27(43)35-15-
    6-3-12-23(40-30(33)34)28(
    44)37-19-26(42)36-18-21-9
    -7-8-20(16-21)17-25(41)38
    -24(29(45)39-22)11-2-5-14
    -32/h7-9,16,22-24H,1-6,10
    -15,17-19,31-32H2,(H,35,4
    3)(H,36,42)(H,37,44)(H,38
    ,41)(H,39,45)(H4,33,34,40
    )/t22-,23+,24-/m0/s1;
    MJPHQBODCHXACB-VXNXHJTFSA-N    		 c1cc2cc(c1)CNC(=O)CNC(=O)C(CCCCNC(=O)C(N
    C(=O)C(NC(=O)C2)CCCCN)CCCCN)NC(=N)N; [H]
    /N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)
    [C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CNC1=O)CC
    CCN)CCCCN; NCCCC[CH]1NC(=O)Cc2cccc(CNC(=
    O)CNC(=O)[CH](CCCCNC(=O)[CH](CCCCN)NC1=O
    )NC(N)=N)c2; NCCCC[C@@H]1NC(=O)Cc2cccc(C
    NC(=O)CNC(=O)[C@@H](CCCCNC(=O)[C@H](CCCC
    N)NC1=O)NC(N)=N)c2    		 1-[(8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine
    30707 O7O
    CHEMBL4575123    		 2 C16 H16 Cl N3 O2 S InChI=1S/C16H16ClN3O2S/c1
    7-13-8-14(20-16(19-13)23-
    9-15(21)22)18-12-7-3-5-10
    -4-1-2-6-11(10)12/h3,5,7-
    8H,1-2,4,6,9H2,(H,21,22)(
    H,18,19,20);
    BPCUCWYWVVQEIW-UHFFFAOYSA-N    		 c1cc2c(c(c1)Nc3cc(nc(n3)SCC(=O)O)Cl)CCCC
    2; OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCCc23)n1    		 2-[4-chloranyl-6-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrimidin-2-yl]sulfanylethanoic acid
    30708 O7P
    CHEMBL4633160    		 2 C21 H21 N3 O3 InChI=1S/C21H21N3O3/c1-15
    -11-19(8-5-17(15)13-22)27
    -18-6-3-16(4-7-18)12-20(2
    5)24-10-9-23(2)21(26)14-2
    4/h3-8,11H,9-10,12,14H2,1
    -2H3;
    WFOOODRZHBDNTB-UHFFFAOYSA-N    		 Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCN(C(=
    O)C3)C; Cc1c(C#N)ccc(c1)Oc3ccc(CC(N2CC(N
    (C)CC2)=O)=O)cc3; CN1CCN(CC1=O)C(=O)Cc2c
    cc(Oc3ccc(C#N)c(C)c3)cc2    		 2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile
    30709 O7Q 3 C30 H39 Fe N7 O6 S InChI=1S/C30H43N7O6S.Fe/c
    1-28(2)23(39)36-29(3,4)25
    (41)32-17-12-11-16(14-18(
    17)33-26(42)30(5,6)37-24(
    28)40)22(38)31-13-9-7-8-1
    0-20-21-19(15-44-20)34-27
    (43)35-21;/h11-12,14,19-2
    1H,7-10,13,15H2,1-6H3,(H7
    ,31,32,33,34,35,36,37,38,
    39,40,41,42,43);/q;+4/p-4
    /t19-,20-,21-;/m0./s1;
    IGNFDZJXHVAJJQ-OCIDDWSYSA-J    		 CC1(C(=O)N2C(C(=O)N3[Fe]24N(c5c3ccc(c5)C
    (=O)NCCCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N
    7)C(=O)C(N4C1=O)(C)C)(C)C)C; CC1(C(=O)N2
    C(C(=O)N3[Fe]24N(c5c3ccc(c5)C(=O)NCCCCCC
    6C7C(CS6)NC(=O)N7)C(=O)C(N4C1=O)(C)C)(C)
    C)C; CC1(C)N2C(=O)C(C)(C)C(=O)N3C(C)(C)C
    (=O)N4c5cc(ccc5N(C1=O)[Fe]234)C(=O)NCCCC
    C[CH]6SC[CH]7NC(=O)N[CH]67; CC1(C)N2C(=O
    )C(C)(C)C(=O)N3C(C)(C)C(=O)N4c5cc(ccc5N(
    C1=O)[Fe]234)C(=O)NCCCCC[C@@H]6SC[C@@H]7
    NC(=O)N[C@H]67    		 biotC5-1 cofactor
    30710 O7R
    ZINC000004027271    		 2 C10 H10 O2 InChI=1S/C10H10O2/c1-7(11
    )8-2-3-10-9(6-8)4-5-12-10
    /h2-3,6H,4-5H2,1H3;
    MMVUJVASBDVNGJ-UHFFFAOYSA-N    		 CC(=O)c1ccc2OCCc2c1; CC(=O)c1ccc2c(c1)CC
    O2    		 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
    30711 O7S 10 C30 H40 F N3 O6 InChI=1S/C30H40FN3O6/c1-5
    -8-21-11-12-26(36)32-13-6
    -9-20(4)15-23(35)16-22(31
    )17-27-33-24(18-39-27)29(
    37)34-14-7-10-25(34)30(38
    )40-28(21)19(2)3/h5-6,9,1
    1-12,15,18-19,21-23,25,28
    ,35H,1,7-8,10,13-14,16-17
    H2,2-4H3,(H,32,36)/b9-6+,
    12-11+,20-15+/t21-,22-,23
    -,25-,28-/m1/s1;
    GWIAEMBAGQHJHW-CLECSTCYSA-N    		 C/C/1=C\[C@H](C[C@H](Cc2nc(co2)C(=O)N3CC
    C[C@@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC
    \C=C1)CC=C)C(C)C)F)O; CC(C)[C@H]1OC(=O)[
    C@H]2CCCN2C(=O)c3coc(C[C@H](F)C[C@H](O)/
    C=C(C)/C=C/CNC(=O)/C=C/[C@H]1CC=C)n3; CC
    (C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc(C[CH]
    (F)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1CC=C)
    n3; C2(CC(Cc1nc(co1)C(N3C(C(OC(C(C)C)C(C
    =CC(=O)NCC=CC(=C2)C)C/C=C)=O)CCC3)=O)F)O
    ; CC1=CC(CC(Cc2nc(co2)C(=O)N3CCCC3C(=O)O
    C(C(C=CC(=O)NCC=C1)CC=C)C(C)C)F)O    		 (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione
    30712 O7T
    CHEMBL3286929
    ZINC000102240258    		 1 C40 H37 N5 O InChI=1S/C40H37N5O/c1-3-1
    1-29(12-4-1)27-44-36-17-9
    -7-15-34(36)42-39(44)32-1
    9-21-33(22-20-32)46-28-38
    (30-23-25-41-26-24-30)45-
    37-18-10-8-16-35(37)43-40
    (45)31-13-5-2-6-14-31/h1-
    22,30,38,41H,23-28H2/t38-
    /m1/s1;
    LTZKEDSUXKTTTC-KXQOOQHDSA-N    		 c1ccc(cc1)Cn2c3ccccc3nc2c4ccc(cc4)OCC(C5
    CCNCC5)n6c7ccccc7nc6c8ccccc8; C1CC(CCN1)
    [CH](COc2ccc(cc2)c3nc4ccccc4n3Cc5ccccc5)
    n6c7ccccc7nc6c8ccccc8; c1ccc(cc1)Cn2c3cc
    ccc3nc2c4ccc(cc4)OC[C@H](C5CCNCC5)n6c7cc
    ccc7nc6c8ccccc8; C1CC(CCN1)[C@@H](COc2cc
    c(cc2)c3nc4ccccc4n3Cc5ccccc5)n6c7ccccc7n
    c6c8ccccc8    		 deltarasin;
    2-phenyl-1-[(1~{S})-2-[4-[1-(phenylmethyl)benzimidazol-2-yl]phenoxy]-1-piperidin-4-yl-ethyl]benzimidazole
    30713 O7U
    ZINC000006158059    		 7 C3 H6 N3 O2 P InChI=1S/C3H6N3O2P/c4-9(8
    )2-1-5-3(7)6-9/h1-2H,(H4,
    4,5,6,7,8)/t9-/m1/s1;
    GGLLBAYBJJLFCT-SECBINFHSA-N    		 N[P@@]1(=O)NC(=O)NC=C1; C1=C[P@](=O)(NC(
    =O)N1)N; N[P]1(=O)NC(=O)NC=C1; C1=CP(=O)
    (NC(=O)N1)N; O=C1NC=CP(=O)(N)N1    		 (2R)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1H)-one 2-oxide
    30714 O7V 7 C38 H44 F N5 O8 InChI=1S/C38H44FN5O8/c1-2
    3-8-6-14-40-33(46)13-12-2
    4(2)35(25(3)21-51-38(49)4
    3-32-17-26-9-4-5-10-27(26
    )20-41-32)52-37(48)31-11-
    7-15-44(31)36(47)30-22-50
    -34(42-30)19-28(39)18-29(
    45)16-23/h4-6,8-10,12-13,
    16-17,20,22,24-25,28-29,3
    1,35,45H,7,11,14-15,18-19
    ,21H2,1-3H3,(H,40,46)(H,4
    1,43,49)/b8-6+,13-12+,23-
    16+/t24-,25-,28-,29-,31-,
    35+/m1/s1;
    BDEXJNNFQAFGAE-IPFDKBLQSA-N    		 C[C@H](COC(=O)Nc1cc2ccccc2cn1)[C@H]3OC(=
    O)[C@H]4CCCN4C(=O)c5coc(C[C@H](F)C[C@H](
    O)/C=C(C)/C=C/CNC(=O)/C=C/[C@H]3C)n5; CC
    1C=CC(=O)NCC=CC(=CC(CC(Cc2nc(co2)C(=O)N3
    CCCC3C(=O)OC1C(C)COC(=O)Nc4cc5ccccc5cn4)
    F)O)C; C[CH](COC(=O)Nc1cc2ccccc2cn1)[CH]
    3OC(=O)[CH]4CCCN4C(=O)c5coc(C[CH](F)C[CH
    ](O)C=C(C)C=CCNC(=O)C=C[CH]3C)n5; C2(=CC
    (O)CC(Cc1nc(co1)C(N5C(C(OC(C(C=CC(NCC=C2
    )=O)C)C(C)COC(Nc3ncc4c(c3)cccc4)=O)=O)CC
    C5)=O)F)C; C[C@@H]1/C=C/C(=O)NC/C=C/C(=C
    /[C@H](C[C@H](Cc2nc(co2)C(=O)N3CCC[C@@H]
    3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4cc5ccccc
    5cn4)F)O)/C    		 (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
    30715 O7W 1 C25 H28 N4 O2 InChI=1S/C25H28N4O2/c1-3-
    18-8-10-19(11-9-18)17-29(
    2)25(30)15-14-24-28-27-23
    (31-24)13-12-20-16-26-22-
    7-5-4-6-21(20)22/h4-11,16
    ,26H,3,12-15,17H2,1-2H3;
    MYWFVOHKFIFWPL-UHFFFAOYSA-N    		 CCc1ccc(CN(C)C(=O)CCc2oc(CCc3c[nH]c4cccc
    c34)nn2)cc1; CCc1ccc(cc1)CN(C)C(=O)CCc2n
    nc(o2)CCc3c[nH]c4c3cccc4    		 ~{N}-[(4-ethylphenyl)methyl]-3-[5-[2-(1~{H}-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-~{N}-methyl-propanamide
    30716 O7X 8 C25 H21 N O9 S2 InChI=1S/C25H21NO9S2/c27-
    17-2-1-3-19(11-17)36(32,3
    3)18-7-4-15(5-8-18)14-26-
    37(34,35)25-13-24(31)23(3
    0)12-20(25)16-6-9-21(28)2
    2(29)10-16/h1-13,26-31H,1
    4H2;
    OWFVZEKCACEGQA-UHFFFAOYSA-N    		 c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNS(=O)(=O
    )c3cc(c(cc3c4ccc(c(c4)O)O)O)O)O; Oc1cccc
    (c1)[S](=O)(=O)c2ccc(CN[S](=O)(=O)c3cc(O
    )c(O)cc3c4ccc(O)c(O)c4)cc2; O=S(=O)(NCc1
    ccc(cc1)S(=O)(=O)c1cc(O)ccc1)c1cc(O)c(O)
    cc1c1ccc(O)c(O)c1    		 (1P)-3',4,4',5-tetrahydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide
    30717 O7Y 0 C38 H43 N5 O9 InChI=1S/C38H43N5O9/c1-23
    -8-6-14-39-33(46)13-12-24
    (2)35(25(3)21-51-38(49)42
    -32-17-26-9-4-5-10-27(26)
    20-40-32)52-37(48)31-11-7
    -15-43(31)36(47)30-22-50-
    34(41-30)19-29(45)18-28(4
    4)16-23/h4-6,8-10,12-13,1
    6-17,20,22,24-25,28,31,35
    ,44H,7,11,14-15,18-19,21H
    2,1-3H3,(H,39,46)(H,40,42
    ,49)/b8-6+,13-12+,23-16+/
    t24-,25-,28-,31-,35+/m1/s
    1;
    TZVIVTYQVAVLJC-GLOMSVDJSA-N    		 C2(=CC(O)CC(Cc1nc(co1)C(N5C(C(OC(C(C=CC(
    NCC=C2)=O)C)C(C)COC(Nc3ncc4c(c3)cccc4)=O
    )=O)CCC5)=O)=O)C; CC1C=CC(=O)NCC=CC(=CC(
    CC(=O)Cc2nc(co2)C(=O)N3CCCC3C(=O)OC1C(C)
    COC(=O)Nc4cc5ccccc5cn4)O)C; C[CH](COC(=O
    )Nc1cc2ccccc2cn1)[CH]3OC(=O)[CH]4CCCN4C(
    =O)c5coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C
    =C[CH]3C)n5; C[C@H](COC(=O)Nc1cc2ccccc2c
    n1)[C@H]3OC(=O)[C@H]4CCCN4C(=O)c5coc(CC(
    =O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@H
    ]3C)n5; C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C
    @H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=
    O)O[C@@H]1[C@H](C)COC(=O)Nc4cc5ccccc5cn4
    )O)/C    		 (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
    30718 O7Z
    CHEMBL79956    		 2 C17 H18 Cl2 O4 InChI=1S/C17H18Cl2O4/c1-1
    7(10-4-2-3-5-10)7-9-6-11(
    23-8-12(20)21)14(18)15(19
    )13(9)16(17)22/h6,10H,2-5
    ,7-8H2,1H3,(H,20,21);
    RNOJGTHBMJBOSP-UHFFFAOYSA-N    		 CC1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CC
    CC3; CC1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCC(=O)O
    )C3CCCC3    		 2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid;
    indanyloxyacetic acid-94;
    IAA-94
    30719 O80
    ZINC000584905634    		 2 C17 H17 F3 N2 InChI=1S/C17H17F3N2/c1-21
    (2)10-12-7-8-16-14(9-12)1
    3-5-3-4-6-15(13)22(16)11-
    17(18,19)20/h3-9H,10-11H2
    ,1-2H3;
    FRGFVBVPVDCZLO-UHFFFAOYSA-N    		 CN(C)Cc1ccc2c(c1)c3ccccc3n2CC(F)(F)F; CN
    (C)Cc1ccc2n(CC(F)(F)F)c3ccccc3c2c1; c12n
    (c3c(c1cccc2)cc(cc3)CN(C)C)CC(F)(F)F    		 N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine
    30720 O81
    CHEMBL4293256
    ZINC000095630287    		 4 C6 H19 O27 P7 InChI=1S/C6H19O27P7/c7-34
    (8,9)27-1-2(28-35(10,11)1
    2)4(30-37(16,17)18)6(32-4
    0(25,26)33-39(22,23)24)5(
    31-38(19,20)21)3(1)29-36(
    13,14)15/h1-6H,(H,25,26)(
    H2,7,8,9)(H2,10,11,12)(H2
    ,13,14,15)(H2,16,17,18)(H
    2,19,20,21)(H2,22,23,24)/
    t1-,2-,3+,4-,5-,6-/m1/s1;
    UPHPWXPNZIOZJL-UOTPTPDRSA-N    		 O[P](O)(=O)O[C@@H]1[C@@H](O[P](O)(O)=O)[
    C@@H](O[P](O)(O)=O)[C@@H](O[P](O)(=O)O[P
    ](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](
    O)(O)=O; O[P](O)(=O)O[CH]1[CH](O[P](O)(O
    )=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(=O)O[
    P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O
    )(O)=O; C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O
    )O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)
    (O)O)OP(=O)(O)O; [C@H]1([C@H](C([C@@H]([
    C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
    )OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O
    )O; OP(OP(OC1C(C(C(C(OP(O)(O)=O)C1OP(O)(
    O)=O)OP(O)(O)=O)OP(O)(O)=O)OP(O)(O)=O)(O
    )=O)(O)=O    		 (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
    30721 O82
    ZINC000032779360    		 2 C16 H17 F N2 InChI=1S/C16H17FN2/c1-18-
    11-12-6-7-16-14(10-12)13-
    4-2-3-5-15(13)19(16)9-8-1
    7/h2-7,10,18H,8-9,11H2,1H
    3;
    QBECHPJOWHCRPY-UHFFFAOYSA-N    		 CNCc1ccc2c(c1)c3ccccc3n2CCF; CNCc1ccc2n(
    CCF)c3ccccc3c2c1; c12n(c3c(c1cccc2)cc(cc
    3)CNC)CCF    		 1-[9-(2-fluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine
    30722 O83
    ZINC000584905642    		 2 C16 H16 F2 N2 InChI=1S/C16H16F2N2/c1-19
    -9-11-6-7-15-13(8-11)12-4
    -2-3-5-14(12)20(15)10-16(
    17)18/h2-8,16,19H,9-10H2,
    1H3;
    RDPWHUKZFUEICI-UHFFFAOYSA-N    		 CNCc1ccc2n(CC(F)F)c3ccccc3c2c1; c12n(c3c
    (c1cccc2)cc(cc3)CNC)CC(F)F; CNCc1ccc2c(c
    1)c3ccccc3n2CC(F)F    		 1-[9-(2,2-difluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine
    30723 O84 3 C19 H22 N2 O11 P2 InChI=1S/C19H22N2O11P2/c2
    2-17-12(5-4-8-33(24,25)26
    )10-21(18(23)20-17)16-9-1
    4-15(31-16)11-30-19(32-14
    ,34(27,28)29)13-6-2-1-3-7
    -13/h1-7,10,14-16H,8-9,11
    H2,(H,20,22,23)(H2,24,25,
    26)(H2,27,28,29)/b5-4+/t1
    4-,15-,16-,19-/m1/s1;
    TZXVMSWLUKAZDT-PDBOZARJSA-N    		 c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[C@@H
    ](O3)N4C=C(C(=O)NC4=O)/C=C/CP(=O)(O)O)P(
    =O)(O)O; O[P](O)(=O)CC=CC1=CN([CH]2C[CH]
    3O[C](OC[CH]3O2)(c4ccccc4)[P](O)(O)=O)C(
    =O)NC1=O; c1ccc(cc1)C2(OCC3C(O2)CC(O3)N4
    C=C(C(=O)NC4=O)C=CCP(=O)(O)O)P(=O)(O)O;
    O[P](O)(=O)C\C=C\C1=CN([C@H]2C[C@H]3O[C@
    ](OC[C@H]3O2)(c4ccccc4)[P](O)(O)=O)C(=O)
    NC1=O    		 [(2~{R},4~{a}~{R},6~{R},7~{a}~{R})-6-[2,4-bis(oxidanylidene)-5-[(~{E})-3-phosphonoprop-1-enyl]pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid
    30724 O85 1 C10 H12 F N O S InChI=1S/C10H12FNOS/c1-12
    (5-6-14)10(13)8-3-2-4-9(1
    1)7-8/h2-4,7,14H,5-6H2,1H
    3;
    LDKKTSNZLWHURK-UHFFFAOYSA-N    		 CN(CCS)C(=O)c1cccc(c1)F; CN(CCS)C(=O)c1c
    ccc(F)c1    		 3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
    30725 O86 1 C20 H18 Cl N3 O3 S InChI=1S/C20H18ClN3O3S/c2
    1-17-12-18(24-20(23-17)28
    -13-19(25)26)22-15-7-4-8-
    16(11-15)27-10-9-14-5-2-1
    -3-6-14/h1-8,11-12H,9-10,
    13H2,(H,25,26)(H,22,23,24
    );
    SWNYGRWXDONBNB-UHFFFAOYSA-N    		 OC(=O)CSc1nc(Cl)cc(Nc2cccc(OCCc3ccccc3)c
    2)n1; c1ccc(cc1)CCOc2cccc(c2)Nc3cc(nc(n3
    )SCC(=O)O)Cl    		 2-[4-chloranyl-6-[[3-(2-phenylethoxy)phenyl]amino]pyrimidin-2-yl]sulfanylethanoic acid
    30726 O87
    CHEMBL1498723
    ZINC000013598230    		 1 C21 H18 F3 N3 O2 InChI=1S/C21H18F3N3O2/c22
    -21(23,24)14-4-3-5-15(12-
    14)26-8-10-27(11-9-26)20(
    29)17-13-19(28)25-18-7-2-
    1-6-16(17)18/h1-7,12-13H,
    8-11H2,(H,25,28);
    NKHDYQSOEVSMNT-UHFFFAOYSA-N    		 O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1cc(c
    cc1)C(F)(F)F; FC(F)(F)c1cccc(c1)N2CCN(CC
    2)C(=O)C3=CC(=O)Nc4ccccc34; c1ccc2c(c1)C
    (=CC(=O)N2)C(=O)N3CCN(CC3)c4cccc(c4)C(F)
    (F)F    		 4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one
    30727 O88 8 C19 H17 N O8 S2 InChI=1S/C19H17NO8S2/c21-
    16-7-5-14(9-18(16)23)29(2
    5,26)13-3-1-12(2-4-13)11-
    20-30(27,28)15-6-8-17(22)
    19(24)10-15/h1-10,20-24H,
    11H2;
    ZBQJJGXTFOWIRF-UHFFFAOYSA-N    		 c1cc(ccc1CNS(=O)(=O)c2ccc(c(c2)O)O)S(=O)
    (=O)c3ccc(c(c3)O)O; Oc1ccc(cc1O)[S](=O)(
    =O)NCc2ccc(cc2)[S](=O)(=O)c3ccc(O)c(O)c3
    ; Oc1ccc(cc1O)S(=O)(=O)NCc1ccc(cc1)S(=O)
    (=O)c1cc(O)c(O)cc1    		 N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3,4-dihydroxybenzene-1-sulfonamide
    30728 O89 0 C18 H20 N3 S InChI=1S/C18H20N3S/c1-13-
    5-10-16-17(11-13)22-18(21
    (16)4)19-12-14-6-8-15(9-7
    -14)20(2)3/h5-12H,1-4H3/q
    +1;
    YMJKNBJZXPYPNA-UHFFFAOYSA-N    		 Cc1ccc2c(c1)sc([n+]2C)/N=C/c3ccc(cc3)N(C
    )C; Cc1ccc2c(c1)sc([n+]2C)N=Cc3ccc(cc3)N
    (C)C; CN(C)c1ccc(cc1)C=Nc2sc3cc(C)ccc3[n
    +]2C    		 4-[(~{E})-(3,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-~{N},~{N}-dimethyl-aniline
    30729 O8A
    CHEMBL1234899
    ZINC000058639005    		 1 C17 H14 F3 N3 O2 S InChI=1S/C17H14F3N3O2S/c1
    -9-21-12-8-11(25-17(18,19
    )20)4-5-13(12)23(9)15-7-6
    -14(26-15)16(24)22-10-2-3
    -10/h4-8,10H,2-3H2,1H3,(H
    ,22,24);
    ACFOZQUWTKSSQQ-UHFFFAOYSA-N    		 Cc1nc2cc(ccc2n1c3ccc(s3)C(=O)NC4CC4)OC(F
    )(F)F; Cc1nc2cc(OC(F)(F)F)ccc2n1c3sc(cc3
    )C(=O)NC4CC4; FC(F)(F)Oc4cc3nc(n(c1sc(cc
    1)C(=O)NC2CC2)c3cc4)C    		 N-cyclopropyl-5-[2-methyl-5-(trifluoromethoxy)-1H-benzimidazol-1-yl]thiophene-2-carboxamide
    30730 O8B
    CHEMBL1612418
    ZINC000000843683    		 1 C22 H20 N4 O2 InChI=1S/C22H20N4O2/c1-15
    -7-10-18(11-8-15)26-24-19
    -12-9-17(13-20(19)25-26)2
    3-22(27)14-28-21-6-4-3-5-
    16(21)2/h3-13H,14H2,1-2H3
    ,(H,23,27);
    LKAZLKLHUAIYCE-UHFFFAOYSA-N    		 Cc1ccc(cc1)n2nc3ccc(cc3n2)NC(=O)COc4cccc
    c4C; Cc1ccc(cc1)n2nc3ccc(NC(=O)COc4ccccc
    4C)cc3n2; O=C(Nc1ccc2nn(nc2c1)c3ccc(cc3)
    C)COc4ccccc4C    		 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]acetamide
    30731 O8C
    CHEMBL482278
    ZINC000000159092    		 2 C8 H7 N O InChI=1S/C8H7NO/c1-10-8-4
    -2-7(6-9)3-5-8/h2-5H,1H3;
    XDJAAZYHCCRJOK-UHFFFAOYSA-N    		 COc1ccc(cc1)C#N 4-methoxybenzenecarbonitrile
    30732 O8D 0 C30 H39 N3 O7 InChI=1S/C30H39N3O7/c1-5-
    8-21-11-12-26(36)31-13-6-
    9-20(4)15-22(34)16-23(35)
    17-27-32-24(18-39-27)29(3
    7)33-14-7-10-25(33)30(38)
    40-28(21)19(2)3/h5-6,9,11
    -12,15,18-19,21-22,25,28,
    34H,1,7-8,10,13-14,16-17H
    2,2-4H3,(H,31,36)/b9-6+,1
    2-11+,20-15+/t21-,22-,25-
    ,28-/m1/s1;
    KIBQNEPECLKTQL-NJRJPMQWSA-N    		 CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc(CC(
    =O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1CC=C)
    n3; CC1=CC(CC(=O)Cc2nc(co2)C(=O)N3CCCC3C
    (=O)OC(C(C=CC(=O)NCC=C1)CC=C)C(C)C)O; C/
    C/1=C\[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C
    @@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC\C=
    C1)CC=C)C(C)C)O; CC(C)[C@H]1OC(=O)[C@H]2
    CCCN2C(=O)c3coc(CC(=O)C[C@H](O)/C=C(C)/C
    =C/CNC(=O)/C=C/[C@H]1CC=C)n3; C2(CC(Cc1n
    c(co1)C(N3C(C(OC(C(C)C)C(C=CC(=O)NCC=CC(
    =C2)C)C/C=C)=O)CCC3)=O)=O)O    		 (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone
    30733 O8F 8 C25 H21 N O10 S2 InChI=1S/C25H21NO10S2/c27
    -19-7-3-15(9-21(19)29)18-
    11-23(31)24(32)12-25(18)3
    8(35,36)26-13-14-1-4-16(5
    -2-14)37(33,34)17-6-8-20(
    28)22(30)10-17/h1-12,26-3
    2H,13H2;
    NNIYBSBWFCKKLS-UHFFFAOYSA-N    		 c1cc(ccc1CNS(=O)(=O)c2cc(c(cc2c3ccc(c(c3
    )O)O)O)O)S(=O)(=O)c4ccc(c(c4)O)O; O=S(=O
    )(NCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1)c1
    cc(O)c(O)cc1c1ccc(O)c(O)c1; Oc1ccc(cc1O)
    c2cc(O)c(O)cc2[S](=O)(=O)NCc3ccc(cc3)[S]
    (=O)(=O)c4ccc(O)c(O)c4    		 (1P)-N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide
    30734 O8G
    CHEMBL1234900
    ZINC000058631872    		 1 C13 H14 N6 O2 S InChI=1S/C13H14N6O2S/c14-
    18-15-8-11(20)19-5-3-9(4-
    6-19)13-16-12(17-21-13)10
    -2-1-7-22-10/h1-2,7,9H,3-
    6,8H2;
    RJFYHVFZGWNOBV-UHFFFAOYSA-N    		 [N-]=[N+]=NCC(=O)N1CCC(CC1)c2onc(n2)c3sc
    cc3; c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CN
    =[N+]=[N-]; [N-]=[N+]=N\CC(=O)N3CCC(c1on
    c(n1)c2sccc2)CC3    		 1-(azidoacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine;
    2-azido-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-ethanone
    30735 O8H
    CHEMBL1234901
    ZINC000058638413    		 1 C22 H22 I N7 O4 S2 InChI=1S/C22H22IN7O4S2/c2
    3-16-3-5-18(6-4-16)36(32,
    33)24-12-17-13-30(28-26-1
    7)14-20(31)29-9-7-15(8-10
    -29)22-25-21(27-34-22)19-
    2-1-11-35-19/h1-6,11,13,1
    5,24H,7-10,12,14H2;
    WXICWMCKWJCJBV-UHFFFAOYSA-N    		 c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)Cn4cc(n
    n4)CNS(=O)(=O)c5ccc(cc5)I; Ic1ccc(cc1)S(
    =O)(=O)NCc2nnn(c2)CC(=O)N5CCC(c3onc(n3)c
    4sccc4)CC5; Ic1ccc(cc1)[S](=O)(=O)NCc2cn
    (CC(=O)N3CCC(CC3)c4onc(n4)c5sccc5)nn2    		 4-iodo-N-[(1-{2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl}-1H-1,2,3-triazol-4-yl)methyl]benzenesulfonamide
    30736 O8I 12 C7 H11 N O4 InChI=1S/C7H11NO4/c1-3-5(
    9)6(8-11)7(10)12-4-2/h11H
    ,3-4H2,1-2H3/b8-6-;
    FOGXVRUMMPWXRL-VURMDHGXSA-N    		 CCOC(=O)\C(=N/O)C(=O)CC; CCOC(=O)C(=NO)C
    (=O)CC; CCC(=O)/C(=N/O)/C(=O)OCC; CCC(=O
    )C(=NO)C(=O)OCC    		 ethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-pentanoate;
    ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
    30737 O8J
    CHEMBL2105600    		 0 C28 H37 N3 O7 InChI=1S/C28H37N3O7/c1-17
    (2)26-19(4)9-10-24(34)29-
    11-5-7-18(3)13-20(32)14-2
    1(33)15-25-30-22(16-37-25
    )27(35)31-12-6-8-23(31)28
    (36)38-26/h5,7,9-10,13,16
    -17,19-20,23,26,32H,6,8,1
    1-12,14-15H2,1-4H3,(H,29,
    34)/b7-5+,10-9+,18-13+/t1
    9-,20-,23-,26-/m1/s1;
    JOOMGSFOCRDAHL-WPZKFCHQSA-N    		 CC(C)[C@H]1OC(=O)[C@H]2CCCN2C(=O)c3coc(C
    C(=O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C
    @H]1C)n3; C2(=CC(CC(Cc1nc(co1)C(N3C(C(=O
    )OC(C(C=CC(NCC=C2)=O)C)C(C)C)CCC3)=O)=O)
    O)C; CC1C=CC(=O)NCC=CC(=CC(CC(=O)Cc2nc(c
    o2)C(=O)N3CCCC3C(=O)OC1C(C)C)O)C; C[C@@H
    ]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2n
    c(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1C(C)
    C)O)/C; CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c
    3coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C=C[C
    H]1C)n3    		 (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone
    30738 O8K 0 C17 H28 O3 InChI=1S/C17H28O3/c1-13-1
    0-11-15(18)8-6-4-5-7-9-16
    (20-3)17(19)14(2)12-13/h7
    ,9,12,14,16-17,19H,4-6,8,
    10-11H2,1-3H3/b9-7+,13-12
    -/t14-,16+,17+/m1/s1;
    GNVGUUJMZICZND-YFFRELIDSA-N    		 CO[CH]1C=CCCCCC(=O)CCC(=C[CH](C)[CH]1O)C
    ; CC1C=C(CCC(=O)CCCCC=CC(C1O)OC)C; CO[C@
    H]1\C=C\CCCCC(=O)CCC(=C\[C@@H](C)[C@@H]1
    O)/C; C[C@@H]1/C=C(\CCC(=O)CCCC/C=C/[C@@
    H]([C@H]1O)OC)/C; O=C1CCCCC=CC(OC)C(O)C(
    C=C(CC1)C)C    		 (4Z,6R,7S,8S,9E)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one
    30739 O8L 1 C18 H18 Cl N3 O3 InChI=1S/C18H18ClN3O3/c1-
    10-3-4-20-9-15(10)21-18(2
    4)11(2)12-5-13(19)7-14(6-
    12)25-17-8-16(23)22-17/h3
    -7,9,11,17H,8H2,1-2H3,(H,
    21,24)(H,22,23)/t11-,17+/
    m0/s1;
    NGODSAZXSLLARZ-APPDUMDISA-N    		 Cc1ccncc1NC(=O)C(C)c1cc(Cl)cc(OC2CC(=O)N
    2)c1; Cc1ccncc1NC(=O)[C@@H](C)c2cc(cc(c2
    )Cl)O[C@@H]3CC(=O)N3; C[C@H](C(=O)Nc1cnc
    cc1C)c2cc(Cl)cc(O[C@@H]3CC(=O)N3)c2; Cc1
    ccncc1NC(=O)C(C)c2cc(cc(c2)Cl)OC3CC(=O)N
    3; C[CH](C(=O)Nc1cnccc1C)c2cc(Cl)cc(O[CH
    ]3CC(=O)N3)c2    		 (2S)-2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)propanamide
    30740 O8M
    CHEMBL460913
    ZINC000040393278    		 2 C14 H21 N7 O4 InChI=1S/C14H21N7O4/c1-6-
    19-9-12(16)17-5-18-13(9)2
    1(6)14-11(24)10(23)7(25-1
    4)3-20(2)4-8(15)22/h5,7,1
    0-11,14,23-24H,3-4H2,1-2H
    3,(H2,15,22)(H2,16,17,18)
    /t7-,10-,11-,14-/m1/s1;
    IRWBMXVMEDHEJW-FRJWGUMJSA-N    		 Cc1nc2c(ncnc2n1C3C(C(C(O3)CN(C)CC(=O)N)O
    )O)N; Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]
    ([C@H](O3)C[N@@](C)CC(=O)N)O)O)N; CN(C[C
    H]1O[CH]([CH](O)[CH]1O)n2c(C)nc3c(N)ncnc
    23)CC(N)=O; O=C(N)CN(C)CC3OC(n2c(nc1c(nc
    nc12)N)C)C(O)C3O; CN(C[C@H]1O[C@H]([C@H]
    (O)[C@@H]1O)n2c(C)nc3c(N)ncnc23)CC(N)=O    		 2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide;
    5'-[(carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine
    30741 O8N
    CHEMBL1951714
    DB11220
    ZINC000008221075    		 1 C28 H58 O InChI=1S/C28H58O/c1-2-3-4
    -5-6-7-8-9-10-11-12-13-14
    -15-16-17-18-19-20-21-22-
    23-24-25-26-27-28-29/h29H
    ,2-28H2,1H3;
    CNNRPFQICPFDPO-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCCCCCCCCCCCCCCO octacosan-1-ol
    30742 O8O 8 C25 H19 N O10 S2 InChI=1S/C25H19NO10S2/c27
    -19-6-5-15(7-20(19)28)37(
    33,34)14-3-1-13(2-4-14)12
    -26-18-10-23(31)21(29)8-1
    6(18)17-9-22(30)24(32)11-
    25(17)38(26,35)36/h1-11,2
    7-32H,12H2;
    BAXWNPHATMCEIN-UHFFFAOYSA-N    		 c1cc(ccc1CN2c3cc(c(cc3-c4cc(c(cc4S2(=O)=
    O)O)O)O)O)S(=O)(=O)c5ccc(c(c5)O)O; Oc1cc
    c(cc1O)[S](=O)(=O)c2ccc(CN3c4cc(O)c(O)cc
    4c5cc(O)c(O)cc5[S]3(=O)=O)cc2; Oc1cc(ccc
    1O)S(=O)(=O)c1ccc(cc1)CN1c2cc(O)c(O)cc2c
    2cc(O)c(O)cc2S1(=O)=O    		 (10aP)-6-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
    30743 O8P 0 C34 H40 Br N5 O9 InChI=1S/C34H40BrN5O9/c1-
    20-6-4-11-37-29(43)9-8-21
    (2)31(22(3)18-48-34(46)38
    -23-10-12-36-28(35)15-23)
    49-33(45)27-7-5-13-40(27)
    32(44)26-19-47-30(39-26)1
    7-25(42)16-24(41)14-20/h4
    ,6,8-10,12,14-15,19,21-22
    ,24,27,31,41H,5,7,11,13,1
    6-18H2,1-3H3,(H,37,43)(H,
    36,38,46)/b6-4+,9-8+,20-1
    4+/t21-,22-,24-,27-,31+/m
    1/s1;
    DVPGDVCEDLKOOR-IUBPLUFBSA-N    		 C[C@H](COC(=O)Nc1ccnc(Br)c1)[C@H]2OC(=O)
    [C@H]3CCCN3C(=O)c4coc(CC(=O)C[C@H](O)/C=
    C(C)/C=C/CNC(=O)/C=C/[C@H]2C)n4; C[C@@H]
    1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc
    (co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H]
    (C)COC(=O)Nc4ccnc(c4)Br)O)/C; C[CH](COC(
    =O)Nc1ccnc(Br)c1)[CH]2OC(=O)[CH]3CCCN3C(
    =O)c4coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C
    =C[CH]2C)n4; C3(CC(Cc1nc(co1)C(N4C(C(=O)
    OC(C(COC(Nc2cc(Br)ncc2)=O)C)C(C=CC(NCC=C
    C(=C3)C)=O)C)CCC4)=O)=O)O; CC1C=CC(=O)NC
    C=CC(=CC(CC(=O)Cc2nc(co2)C(=O)N3CCCC3C(=
    O)OC1C(C)COC(=O)Nc4ccnc(c4)Br)O)C    		 (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate
    30744 O8Q
    CHEMBL4764177    		 1 C36 H41 Cl N6 O3 InChI=1S/C36H41ClN6O3/c37
    -29-18-13-26(14-19-29)21-
    22-39-36(46)32(20-15-25-7
    -3-1-4-8-25)42-34(44)28-1
    6-11-27(12-17-28)23-40-35
    (45)31-24-41-43(33(31)38)
    30-9-5-2-6-10-30/h2,5-6,9
    -14,16-19,24-25,32H,1,3-4
    ,7-8,15,20-23,38H2,(H,39,
    46)(H,40,45)(H,42,44)/t32
    -/m0/s1;
    ODDDHFFTESWGNQ-YTTGMZPUSA-N    		 c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=
    O)NC(CCC4CCCCC4)C(=O)NCCc5ccc(cc5)Cl)N;
    Nc1n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC
    3CCCCC3)C(=O)NCCc4ccc(Cl)cc4)c5ccccc5; N
    c1n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[C@@H](CC
    C3CCCCC3)C(=O)NCCc4ccc(Cl)cc4)c5ccccc5;
    c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=
    O)N[C@@H](CCC4CCCCC4)C(=O)NCCc5ccc(cc5)C
    l)N    		 5-azanyl-~{N}-[[4-[[(2~{S})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
    30745 O8R 16 C7 H11 N O5 InChI=1S/C7H11NO5/c1-5(9)
    6(8-11)7(10)13-4-3-12-2/h
    11H,3-4H2,1-2H3/b8-6-;
    QNWLIKDDTJMEGE-VURMDHGXSA-N    		 COCCOC(=O)\C(=N/O)C(C)=O; COCCOC(=O)C(=N
    O)C(C)=O; CC(=O)C(=NO)C(=O)OCCOC; CC(=O)
    /C(=N/O)/C(=O)OCCOC    		 2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate;
    2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate
    30746 O8S 0 C36 H41 F3 N4 O9 InChI=1S/C36H41F3N4O9/c1-
    21-6-4-14-40-30(46)13-8-2
    2(2)32(23(3)19-51-35(49)4
    1-25-11-9-24(10-12-25)36(
    37,38)39)52-34(48)29-7-5-
    15-43(29)33(47)28-20-50-3
    1(42-28)18-27(45)17-26(44
    )16-21/h4,6,8-13,16,20,22
    -23,26,29,32,44H,5,7,14-1
    5,17-19H2,1-3H3,(H,40,46)
    (H,41,49)/b6-4+,13-8+,21-
    16+/t22-,23-,26-,29-,32+/
    m1/s1;
    QSYJCJBWWVFSHG-FJYLNHJQSA-N    		 CC1C=CC(=O)NCC=CC(=CC(CC(=O)Cc2nc(co2)C(
    =O)N3CCCC3C(=O)OC1C(C)COC(=O)Nc4ccc(cc4)
    C(F)(F)F)O)C; C[C@@H]1/C=C/C(=O)NC/C=C/C
    (=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@
    H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4ccc(cc
    4)C(F)(F)F)O)/C; C[CH](COC(=O)Nc1ccc(cc1
    )C(F)(F)F)[CH]2OC(=O)[CH]3CCCN3C(=O)c4co
    c(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]2
    C)n4; C[C@H](COC(=O)Nc1ccc(cc1)C(F)(F)F)
    [C@H]2OC(=O)[C@H]3CCCN3C(=O)c4coc(CC(=O)
    C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@H]2C
    )n4; C2(=CC(CC(Cc1nc(co1)C(N4C(C(=O)OC(C
    (C=CC(NCC=C2)=O)C)C(C)COC(=O)Nc3ccc(C(F)
    (F)F)cc3)CCC4)=O)=O)O)C    		 (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl [4-(trifluoromethyl)phenyl]carbamate
    30747 O8T
    CHEMBL4749084    		 1 C34 H44 N6 O3 InChI=1S/C34H44N6O3/c35-3
    1-29(23-37-40(31)28-14-8-
    3-9-15-28)33(42)36-22-25-
    16-19-26(20-17-25)32(41)3
    9-30(21-18-24-10-4-1-5-11
    -24)34(43)38-27-12-6-2-7-
    13-27/h3,8-9,14-17,19-20,
    23-24,27,30H,1-2,4-7,10-1
    3,18,21-22,35H2,(H,36,42)
    (H,38,43)(H,39,41)/t30-/m
    0/s1;
    PKDCKOQKRFFVGE-PMERELPUSA-N    		 c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=
    O)NC(CCC4CCCCC4)C(=O)NC5CCCCC5)N; Nc1n(n
    cc1C(=O)NCc2ccc(cc2)C(=O)N[C@@H](CCC3CCC
    CC3)C(=O)NC4CCCCC4)c5ccccc5; c1ccc(cc1)n
    2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](C
    CC4CCCCC4)C(=O)NC5CCCCC5)N; Nc1n(ncc1C(=
    O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C(=O
    )NC4CCCCC4)c5ccccc5    		 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
    30748 O8U
    CHEMBL295652
    ZINC000004556034    		 2 C7 H9 N O InChI=1S/C7H9NO/c1-9-7-4-
    2-6(8)3-5-7/h2-5H,8H2,1H3;
    BHAAPTBBJKJZER-UHFFFAOYSA-N    		 COc1ccc(cc1)N; COc1ccc(N)cc1 4-methoxyaniline
    30749 O8V 0 C38 H43 N5 O9 InChI=1S/C38H43N5O9/c1-23
    -8-6-14-39-33(46)13-12-24
    (2)35(25(3)21-51-38(49)42
    -32-17-26-9-4-5-10-27(26)
    20-40-32)52-37(48)31-11-7
    -15-43(31)36(47)30-22-50-
    34(41-30)19-29(45)18-28(4
    4)16-23/h4-6,8-10,12-13,1
    6-17,20,22,24-25,28,31,35
    ,44H,7,11,14-15,18-19,21H
    2,1-3H3,(H,39,46)(H,40,42
    ,49)/b8-6+,13-12+,23-16+/
    t24-,25+,28-,31-,35+/m1/s
    1;
    TZVIVTYQVAVLJC-VQXLESIQSA-N    		 C[C@@H](COC(=O)Nc1cc2ccccc2cn1)[C@H]3OC(
    =O)[C@H]4CCCN4C(=O)c5coc(CC(=O)C[C@H](O)
    /C=C(C)/C=C/CNC(=O)/C=C/[C@H]3C)n5; CC1C
    =CC(=O)NCC=CC(=CC(CC(=O)Cc2nc(co2)C(=O)N
    3CCCC3C(=O)OC1C(C)COC(=O)Nc4cc5ccccc5cn4
    )O)C; C[CH](COC(=O)Nc1cc2ccccc2cn1)[CH]3
    OC(=O)[CH]4CCCN4C(=O)c5coc(CC(=O)C[CH](O
    )C=C(C)C=CCNC(=O)C=C[CH]3C)n5; C[C@@H]1/
    C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(c
    o2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@@H](
    C)COC(=O)Nc4cc5ccccc5cn4)O)/C; C4(O)C=C(
    C=CCNC(C=CC(C)C(C(C)COC(=O)Nc1ncc2c(c1)c
    ccc2)OC(C3CCCN3C(c5coc(CC(C4)=O)n5)=O)=O
    )=O)C    		 (2S)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
    30750 O8W 1 C32 H42 N6 O3 InChI=1S/C32H42N6O3/c1-3-
    22(2)36-32(41)28(19-16-23
    -10-6-4-7-11-23)37-30(39)
    25-17-14-24(15-18-25)20-3
    4-31(40)27-21-35-38(29(27
    )33)26-12-8-5-9-13-26/h5,
    8-9,12-15,17-18,21-23,28H
    ,3-4,6-7,10-11,16,19-20,3
    3H2,1-2H3,(H,34,40)(H,36,
    41)(H,37,39)/t22-,28-/m0/
    s1;
    XHAOZPSJXRBUJD-DWACAAAGSA-N    		 CC[C@H](C)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c
    2ccc(CNC(=O)c3cnn(c3N)c4ccccc4)cc2; CC[C
    H](C)NC(=O)[CH](CCC1CCCCC1)NC(=O)c2ccc(C
    NC(=O)c3cnn(c3N)c4ccccc4)cc2; CCC(C)NC(=
    O)C(CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3
    cnn(c3N)c4ccccc4; CC[C@H](C)NC(=O)[C@H](
    CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(
    c3N)c4ccccc4    		 5-azanyl-~{N}-[[4-[[(2~{S})-1-[[(2~{S})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
    30751 O8X 8 C20 H19 N O7 S2 InChI=1S/C20H19NO7S2/c22-
    15-2-1-3-17(12-15)29(25,2
    6)16-6-4-14(5-7-16)10-11-
    21-30(27,28)18-8-9-19(23)
    20(24)13-18/h1-9,12-13,21
    -24H,10-11H2;
    WVXXJFOMKHHPNL-UHFFFAOYSA-N    		 Oc1cccc(c1)[S](=O)(=O)c2ccc(CCN[S](=O)(=
    O)c3ccc(O)c(O)c3)cc2; c1cc(cc(c1)S(=O)(=
    O)c2ccc(cc2)CCNS(=O)(=O)c3ccc(c(c3)O)O)O
    ; Oc1ccc(cc1O)S(=O)(=O)NCCc1ccc(cc1)S(=O
    )(=O)c1cc(O)ccc1    		 3,4-dihydroxy-N-{2-[4-(3-hydroxybenzene-1-sulfonyl)phenyl]ethyl}benzene-1-sulfonamide
    30752 O8Y
    CHEMBL280331
    ZINC000001641021    		 4 C6 H12 O InChI=1S/C6H12O/c1-2-3-4-
    5-6-7/h6H,2-5H2,1H3;
    JARKCYVAAOWBJS-UHFFFAOYSA-N    		 CCCCCC=O; C(CC=O)CCC hexanal
    30753 O8Z
    CHEMBL4784037    		 1 C33 H44 N6 O3 InChI=1S/C33H44N6O3/c1-23
    (2)19-20-35-33(42)29(18-1
    5-24-9-5-3-6-10-24)38-31(
    40)26-16-13-25(14-17-26)2
    1-36-32(41)28-22-37-39(30
    (28)34)27-11-7-4-8-12-27/
    h4,7-8,11-14,16-17,22-24,
    29H,3,5-6,9-10,15,18-21,3
    4H2,1-2H3,(H,35,42)(H,36,
    41)(H,38,40)/t29-/m0/s1;
    LOQKXJXODLGEKL-LJAQVGFWSA-N    		 CC(C)CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c2cc
    c(CNC(=O)c3cnn(c3N)c4ccccc4)cc2; CC(C)CC
    NC(=O)[CH](CCC1CCCCC1)NC(=O)c2ccc(CNC(=O
    )c3cnn(c3N)c4ccccc4)cc2; CC(C)CCNC(=O)[C
    @H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3
    cnn(c3N)c4ccccc4; CC(C)CCNC(=O)C(CCC1CCC
    CC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4c
    cccc4    		 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
    30754 O90
    CHEMBL23296
    ZINC000003834054    		 2 C22 H21 Cl F3 N O4 S InChI=1S/C22H21ClF3NO4S/c
    1-2-4-14-17(7-6-15-20(14)
    31-27-21(15)22(24,25)26)3
    0-9-3-10-32-18-8-5-13(11-
    16(18)23)12-19(28)29/h5-8
    ,11H,2-4,9-10,12H2,1H3,(H
    ,28,29);
    TZBRFAASYWFUGK-UHFFFAOYSA-N    		 O=C(O)Cc3ccc(SCCCOc2ccc1c(onc1C(F)(F)F)c
    2CCC)c(Cl)c3; CCCc1c(OCCCSc2ccc(CC(O)=O)
    cc2Cl)ccc3c1onc3C(F)(F)F; CCCc1c(ccc2c1o
    nc2C(F)(F)F)OCCCSc3ccc(cc3Cl)CC(=O)O    		 {3-chloro-4-[(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)sulfanyl]phenyl}acetic acid
    30755 O91
    CHEMBL1272023    		 2 C20 H20 N2 O4 InChI=1S/C20H20N2O4/c1-12
    -5-7-13(8-6-12)20-21-11-1
    5(22-20)18(23)14-9-16(24-
    2)19(26-4)17(10-14)25-3/h
    5-11H,1-4H3,(H,21,22);
    NQHVDNDKHQBFKP-UHFFFAOYSA-N    		 COc1cc(cc(OC)c1OC)C(=O)c2c[nH]c(n2)c3ccc
    (C)cc3; Cc1ccc(cc1)c2[nH]cc(n2)C(=O)c3cc
    (c(c(c3)OC)OC)OC; c1c(OC)c(c(cc1C(=O)c2c
    nc(n2)c3ccc(cc3)C)OC)OC    		 [2-(4-methylphenyl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone
    30756 O92
    CHEMBL2152252
    ZINC000095575373    		 1 C18 H14 Cl F2 N5 O3 S InChI=1S/C18H14ClF2N5O3S/
    c1-23-18(27)16-17(22)24-8
    -13(25-16)9-5-6-10(19)14(
    7-9)30(28,29)26-12-4-2-3-
    11(20)15(12)21/h2-8,26H,1
    H3,(H2,22,24)(H,23,27);
    GEYLKEHPEKRUTC-UHFFFAOYSA-N    		 CNC(=O)c1nc(cnc1N)c2ccc(Cl)c(c2)[S](=O)(
    =O)Nc3cccc(F)c3F; CNC(=O)c1c(ncc(n1)c2cc
    c(c(c2)S(=O)(=O)Nc3cccc(c3F)F)Cl)N; O=C(
    c1nc(cnc1N)c2ccc(Cl)c(c2)S(=O)(=O)Nc3ccc
    c(F)c3F)NC    		 3-AMINO-6-{4-CHLORO-3-[(2,3-DIFLUOROPHENYL)SULFAMOYL]PHENYL}-N-METHYLPYRAZINE-2-CARBOXAMIDE
    30757 O93 6 C12 H27 B N2 O5 InChI=1S/C12H27BN2O5/c1-1
    5(2)8-10-4-3-9(5-6-13(18,
    19)20)7-12(10,14)11(16)17
    /h9-10,18-19H,3-8,14,20H2
    ,1-2H3,(H,16,17)/q+1/t9-,
    10-,12+/m0/s1;
    MIFIXLBUGCLQNB-JBLDHEPKSA-N    		 B(CCC1CCC(C(C1)(C(=O)O)N)CN(C)C)([OH2+])
    (O)O; CN(C)C[CH]1CC[CH](CC[B](O)(O)[OH2+
    ])C[C]1(N)C(O)=O; B(CC[C@@H]1CC[C@H]([C@
    ](C1)(C(=O)O)N)CN(C)C)([OH2+])(O)O; CN(C
    )C[C@@H]1CC[C@@H](CC[B](O)(O)[OH2+])C[C@
    ]1(N)C(O)=O    		 2-[(1~{R},3~{R},4~{S})-3-azanyl-3-carboxy-4-[(dimethylamino)methyl]cyclohexyl]ethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
    30758 O94 2 C19 H19 F N4 O2 InChI=1S/C19H19FN4O2/c20-
    14-5-3-12(4-6-14)10-17(26
    )24-9-1-2-13(11-24)18-15-
    7-8-16(25)21-19(15)23-22-
    18/h3-8,13H,1-2,9-11H2,(H
    2,21,22,23,25)/t13-/m0/s1;
    JKWFFWGCDOMXTH-ZDUSSCGKSA-N    		 Oc1ccc2c([nH]nc2[CH]3CCCN(C3)C(=O)Cc4ccc
    (F)cc4)n1; c1cc(ccc1CC(=O)N2CCC[C@@H](C2
    )c3c4ccc(nc4[nH]n3)O)F; c1cc(ccc1CC(=O)N
    2CCCC(C2)c3c4ccc(nc4[nH]n3)O)F; Oc1ccc2c
    ([nH]nc2[C@H]3CCCN(C3)C(=O)Cc4ccc(F)cc4)
    n1    		 2-(4-fluorophenyl)-1-[(3~{S})-3-(6-oxidanyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone
    30759 O95
    ZINC000263620879    		 2 C17 H17 F3 N4 O3 S InChI=1S/C17H17F3N4O3S/c1
    -8-9(17(18,19)20)6-10-13(
    12(8)23-26)28-15(22-10)14
    -21-11(7-27-14)16(25)24-4
    -2-3-5-24/h6,11,23,26H,2-
    5,7H2,1H3/t11-/m0/s1;
    PDLYFURAMRBJFN-NSHDSACASA-N    		 Cc1c(cc2c(c1NO)sc(n2)C3=N[C@@H](CO3)C(=O
    )N4CCCC4)C(F)(F)F; Cc1c(cc2c(c1NO)sc(n2)
    C3=NC(CO3)C(=O)N4CCCC4)C(F)(F)F; Cc1c(NO
    )c2sc(nc2cc1C(F)(F)F)C3=N[CH](CO3)C(=O)N
    4CCCC4; Cc1c(NO)c2sc(nc2cc1C(F)(F)F)C3=N
    [C@@H](CO3)C(=O)N4CCCC4; FC(F)(F)c1cc2nc
    (sc2c(c1C)NO)C4=NC(C(=O)N3CCCC3)CO4    		 {(4S)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone
    30760 O96
    ZINC000058638820    		 1 C19 H17 Cl F3 N3 O4 InChI=1S/C19H17ClF3N3O4/c
    1-2-12(16(27)17(24)28)26-
    18(29)11-6-7-13(14(15(11)
    20)19(21,22)23)30-9-10-5-
    3-4-8-25-10/h3-8,12H,2,9H
    2,1H3,(H2,24,28)(H,26,29)
    /t12-/m0/s1;
    VMSZYKRQEOLBRN-LBPRGKRZSA-N    		 O=C(N)C(=O)C(NC(=O)c2ccc(OCc1ncccc1)c(c2
    Cl)C(F)(F)F)CC; CC[C@@H](C(=O)C(=O)N)NC(
    =O)c1ccc(c(c1Cl)C(F)(F)F)OCc2ccccn2; CCC
    (C(=O)C(=O)N)NC(=O)c1ccc(c(c1Cl)C(F)(F)F
    )OCc2ccccn2; CC[CH](NC(=O)c1ccc(OCc2cccc
    n2)c(c1Cl)C(F)(F)F)C(=O)C(N)=O; CC[C@H](
    NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C
    (=O)C(N)=O    		 N-[(1S)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide
    30761 O97
    CHEMBL5203368    		 1 C17 H14 N2 O2 S2 InChI=1S/C17H14N2O2S2/c18
    -16(20)15-8-11-10(2-1-3-1
    2(11)23-15)13-6-7-14(22-1
    3)17(21)19-9-4-5-9/h1-3,6
    -9H,4-5H2,(H2,18,20)(H,19
    ,21);
    QYQDTYWXMRWCEU-UHFFFAOYSA-N    		 NC(=O)c1sc2cccc(c3sc(cc3)C(=O)NC4CC4)c2c
    1; c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)
    NC4CC4; c1(sc(cc1)C(NC2CC2)=O)c4cccc3c4c
    c(C(N)=O)s3    		 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide
    30762 O98
    CHEMBL4789011    		 1 C33 H44 N6 O3 InChI=1S/C33H44N6O3/c1-3-
    26(4-2)37-33(42)29(20-17-
    23-11-7-5-8-12-23)38-31(4
    0)25-18-15-24(16-19-25)21
    -35-32(41)28-22-36-39(30(
    28)34)27-13-9-6-10-14-27/
    h6,9-10,13-16,18-19,22-23
    ,26,29H,3-5,7-8,11-12,17,
    20-21,34H2,1-2H3,(H,35,41
    )(H,37,42)(H,38,40)/t29-/
    m0/s1;
    JZQSHIUOCIDLSA-LJAQVGFWSA-N    		 CCC(CC)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c2cc
    c(cc2)CNC(=O)c3cnn(c3N)c4ccccc4; CCC(CC)
    NC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(CNC(=
    O)c3cnn(c3N)c4ccccc4)cc2; CCC(CC)NC(=O)C
    (CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn
    (c3N)c4ccccc4; CCC(CC)NC(=O)[CH](CCC1CCC
    CC1)NC(=O)c2ccc(CNC(=O)c3cnn(c3N)c4ccccc
    4)cc2    		 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
    30763 O99 8 C19 H17 N O7 S2 InChI=1S/C19H17NO7S2/c21-
    14-2-1-3-16(10-14)28(24,2
    5)15-6-4-13(5-7-15)12-20-
    29(26,27)17-8-9-18(22)19(
    23)11-17/h1-11,20-23H,12H
    2;
    VUAKJQMZHVAFHX-UHFFFAOYSA-N    		 c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNS(=O)(=O
    )c3ccc(c(c3)O)O)O; Oc1cccc(c1)[S](=O)(=O
    )c2ccc(CN[S](=O)(=O)c3ccc(O)c(O)c3)cc2;
    Oc1ccc(cc1O)S(=O)(=O)NCc1ccc(cc1)S(=O)(=
    O)c1cc(O)ccc1    		 3,4-dihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}benzene-1-sulfonamide
    30764 O9A
    CHEMBL4517118    		 1 C20 H19 F N2 O4 S InChI=1S/C20H19FN2O4S/c1-
    3-27-16-10-13(2)19(21)18(
    12-16)20(24)22-23-28(25,2
    6)17-9-8-14-6-4-5-7-15(14
    )11-17/h4-12,23H,3H2,1-2H
    3,(H,22,24);
    ZHPGBCFNKHBCKG-UHFFFAOYSA-N    		 CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccc3ccc
    cc3c2)F)C; CCOc1cc(C)c(F)c(c1)C(=O)NN[S]
    (=O)(=O)c2ccc3ccccc3c2; c3(C(=O)NNS(c1cc
    2c(cc1)cccc2)(=O)=O)cc(OCC)cc(c3F)C    		 5-ethoxy-2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
    30765 O9B
    ZINC000001621096    		 4 C7 H13 N O2 InChI=1S/C7H13NO2/c1-8-5-
    3-2-4-6(8)7(9)10/h6H,2-5H
    2,1H3,(H,9,10)/t6-/m1/s1;
    BPSLZWSRHTULGU-ZCFIWIBFSA-N    		 CN1CCCCC1C(=O)O; CN1CCCC[C@@H]1C(O)=O; C
    N1CCCC[C@@H]1C(=O)O; CN1CCCC[CH]1C(O)=O    		 (2~{R})-1-methylpiperidine-2-carboxylic acid
    30766 O9C 2 C18 H15 N5 O2 InChI=1S/C18H15N5O2/c1-2-
    12(10-19-5-1)18-21-14-4-3
    -13-16(17(14)25-18)22-15(
    11-20-13)23-6-8-24-9-7-23
    /h1-5,10-11H,6-9H2;
    LXMGHBPXSOJCIZ-UHFFFAOYSA-N    		 C1CN(CCO1)c2cnc3ccc4nc(oc4c3n2)c5cccnc5;
    c1cc(cnc1)c2nc3ccc4c(c3o2)nc(cn4)N5CCOC
    C5    		 8-morpholin-4-yl-2-pyridin-3-yl-[1,3]oxazolo[5,4-f]quinoxaline
    30767 O9D
    CHEMBL4443232    		 1 C16 H17 F N2 O4 S InChI=1S/C16H17FN2O4S/c1-
    3-23-12-9-11(2)15(17)14(1
    0-12)16(20)18-19-24(21,22
    )13-7-5-4-6-8-13/h4-10,19
    H,3H2,1-2H3,(H,18,20);
    JKKRGQGRKITOSW-UHFFFAOYSA-N    		 c2(C(=O)NNS(c1ccccc1)(=O)=O)cc(OCC)cc(c2
    F)C; CCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=
    O)c2ccccc2; CCOc1cc(c(c(c1)C(=O)NNS(=O)(
    =O)c2ccccc2)F)C    		 5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide
    30768 O9E 0 C30 H38 N8 O2 S2 InChI=1S/C30H38N8O2S2/c1-
    7-12-38-18-22(32-34-38)16
    -36(6)30(40)28-14-26(20(4
    )42-28)24-11-9-10-23(24)2
    5-13-27(41-19(25)3)29(39)
    35(5)15-21-17-37(8-2)33-3
    1-21/h13-14,17-18H,7-12,1
    5-16H2,1-6H3;
    GGDTYYUIMGUGDO-UHFFFAOYSA-N    		 CCCn1cc(CN(C)C(=O)c2sc(C)c(c2)C3=C(CCC3)
    c4cc(sc4C)C(=O)N(C)Cc5cn(CC)nn5)nn1; CCC
    n1cc(nn1)CN(C)C(=O)c2cc(c(s2)C)C3=C(CCC3
    )c4cc(sc4C)C(=O)N(C)Cc5cn(nn5)CC    		 ~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide
    30769 O9F
    CHEMBL401912
    ZINC000000157405    		 2 C9 H10 O2 InChI=1S/C9H10O2/c1-7(10)
    8-3-5-9(11-2)6-4-8/h3-6H,
    1-2H3;
    NTPLXRHDUXRPNE-UHFFFAOYSA-N    		 CC(=O)c1ccc(cc1)OC; COc1ccc(cc1)C(C)=O 1-(4-methoxyphenyl)ethanone
    30770 O9G
    CHEMBL4581401    		 1 C17 H15 F N4 O3 S InChI=1S/C17H15FN4O3S/c1-
    12-10-13(22-9-5-8-19-22)1
    1-15(16(12)18)17(23)20-21
    -26(24,25)14-6-3-2-4-7-14
    /h2-11,21H,1H3,(H,20,23);
    HKELVRVKFVSBKX-UHFFFAOYSA-N    		 Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3
    cccn3; c3n(c1cc(c(c(C)c1)F)C(=O)NNS(c2cc
    ccc2)(=O)=O)ncc3; Cc1cc(cc(C(=O)NN[S](=O
    )(=O)c2ccccc2)c1F)n3cccn3    		 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide
    30771 O9H 2 C22 H33 N2 O4 S InChI=1S/C22H32N2O4S/c1-1
    5(2)18(23-4)12-20(28-16(3
    )26)22-24-19(13-25)21(29-
    22)10-11-27-14-17-8-6-5-7
    -9-17/h5-9,13,15,18,20,22
    -24H,10-12,14H2,1-4H3/p+1
    /t18-,20-,22+/m1/s1;
    PGOBLOKJRKQHRJ-UZKOGDIHSA-O    		 C[NH2+][CH](C[CH](OC(C)=O)[CH]1NC(=C(CCO
    Cc2ccccc2)S1)C=O)C(C)C; C[NH2+][C@H](C[C
    @@H](OC(C)=O)[C@H]1NC(=C(CCOCc2ccccc2)S1
    )C=O)C(C)C; CC(C)C(CC(C1NC(=C(S1)CCOCc2c
    cccc2)C=O)OC(=O)C)[NH2+]C; CC(C)[C@@H](C
    [C@H](C1NC(=C(S1)CCOCc2ccccc2)C=O)OC(=O)
    C)[NH2+]C    		 [(1~{R},3~{R})-1-acetyloxy-1-[4-methanoyl-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,3-thiazol-2-yl]-4-methyl-pentan-3-yl]-methyl-azanium
    30772 O9I 12 C25 H21 N O9 S2 InChI=1S/C25H21NO9S2/c27-
    17-5-3-16(4-6-17)20-12-23
    (30)24(31)13-25(20)37(34,
    35)26-14-15-1-7-18(8-2-15
    )36(32,33)19-9-10-21(28)2
    2(29)11-19/h1-13,26-31H,1
    4H2;
    HSSFPFXEQQQRPL-UHFFFAOYSA-N    		 Oc1ccc(cc1)c2cc(O)c(O)cc2[S](=O)(=O)NCc3
    ccc(cc3)[S](=O)(=O)c4ccc(O)c(O)c4; O=S(=
    O)(NCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1)c
    1cc(O)c(O)cc1c1ccc(O)cc1; c1cc(ccc1CNS(=
    O)(=O)c2cc(c(cc2c3ccc(cc3)O)O)O)S(=O)(=O
    )c4ccc(c(c4)O)O    		 N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-4,4',5-trihydroxy[1,1'-biphenyl]-2-sulfonamide
    30773 O9J
    CHEMBL4462062    		 1 C19 H16 F N3 O3 S InChI=1S/C19H16FN3O3S/c1-
    13-11-14(17-9-5-6-10-21-1
    7)12-16(18(13)20)19(24)22
    -23-27(25,26)15-7-3-2-4-8
    -15/h2-12,23H,1H3,(H,22,2
    4);
    MWANLGMUCLJUNG-UHFFFAOYSA-N    		 Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)
    c3ccccn3; Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c
    2ccccc2)c3ccccn3; c3ccnc(c2cc(C(=O)NNS(c
    1ccccc1)(=O)=O)c(c(C)c2)F)c3    		 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide
    30774 O9K 2 C13 H20 N2 O3 S InChI=1S/C13H20N2O3S/c1-8
    (2)11(14-4)5-12(18-9(3)17
    )13-15-10(6-16)7-19-13/h6
    -8,11-12,14H,5H2,1-4H3/t1
    1-,12-/m1/s1;
    QIMGLCHKHZYHQD-VXGBXAGGSA-N    		 CN[C@H](C[C@@H](OC(C)=O)c1scc(C=O)n1)C(C
    )C; CC(C)[C@@H](C[C@H](c1nc(cs1)C=O)OC(=
    O)C)NC; CN[CH](C[CH](OC(C)=O)c1scc(C=O)n
    1)C(C)C; CC(C)C(CC(c1nc(cs1)C=O)OC(=O)C)
    NC    		 [(1~{R},3~{R})-1-(4-methanoyl-1,3-thiazol-2-yl)-4-methyl-3-(methylamino)pentyl] ethanoate
    30775 O9L 2 C18 H15 N5 O S InChI=1S/C18H15N5OS/c1-2-
    12(10-19-5-1)18-21-14-4-3
    -13-16(17(14)24-18)22-15(
    11-20-13)23-6-8-25-9-7-23
    /h1-5,10-11H,6-9H2;
    ZJBIEWDRPAVJAY-UHFFFAOYSA-N    		 C1CN(CCS1)c2cnc3ccc4nc(oc4c3n2)c5cccnc5;
    c1cc(cnc1)c2nc3ccc4c(c3o2)nc(cn4)N5CCSC
    C5    		 2-pyridin-3-yl-8-thiomorpholin-4-yl-[1,3]oxazolo[5,4-f]quinoxaline
    30776 O9M
    CHEMBL4449359    		 1 C18 H15 F N4 O3 S InChI=1S/C18H15FN4O3S/c1-
    12-10-13(17-20-8-5-9-21-1
    7)11-15(16(12)19)18(24)22
    -23-27(25,26)14-6-3-2-4-7
    -14/h2-11,23H,1H3,(H,22,2
    4);
    ZEILGPBOAJFIRQ-UHFFFAOYSA-N    		 Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)
    c3ncccn3; Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c
    2ccccc2)c3ncccn3; c3ccnc(c2cc(C(=O)NNS(c
    1ccccc1)(=O)=O)c(c(C)c2)F)n3    		 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide
    30777 O9N 1 C12 H18 N2 O2 InChI=1S/C12H18N2O2/c1-16
    -12(15)11(14)8-10(13)7-9-
    5-3-2-4-6-9/h2-6,10-11H,7
    -8,13-14H2,1H3/t10-,11-/m
    0/s1;
    GXDWYXRQHBMHOS-QWRGUYRKSA-N    		 COC(=O)[C@H](C[C@H](Cc1ccccc1)N)N; COC(=
    O)C(CC(Cc1ccccc1)N)N; COC(=O)[CH](N)C[CH
    ](N)Cc1ccccc1; COC(=O)[C@@H](N)C[C@@H](N
    )Cc1ccccc1    		 methyl (2~{S},4~{S})-2,4-bis(azanyl)-5-phenyl-pentanoate
    30778 O9O 1 C23 H18 Cl N3 O3 InChI=1S/C23H18ClN3O3/c1-
    29-22-7-4-8-23(27-22)30-1
    9-11-17(24)10-18(12-19)26
    -21(28)9-16-14-25-13-15-5
    -2-3-6-20(15)16/h2-8,10-1
    4H,9H2,1H3,(H,26,28);
    ZJXCDXGMXIYGBJ-UHFFFAOYSA-N    		 COc1cccc(n1)Oc2cc(cc(c2)Cl)NC(=O)Cc3cncc
    4c3cccc4; COc1cccc(Oc2cc(Cl)cc(NC(=O)Cc3
    cncc4ccccc34)c2)n1; COc1cccc(Oc2cc(NC(=O
    )Cc3cncc4ccccc43)cc(Cl)c2)n1    		 N-{3-chloro-5-[(6-methoxypyridin-2-yl)oxy]phenyl}-2-(isoquinolin-4-yl)acetamide
    30779 O9P
    CHEMBL4464572    		 1 C17 H17 F N2 O4 S InChI=1S/C17H17FN2O4S/c1-
    3-9-24-13-10-12(2)16(18)1
    5(11-13)17(21)19-20-25(22
    ,23)14-7-5-4-6-8-14/h3-8,
    10-11,20H,1,9H2,2H3,(H,19
    ,21);
    FEYQZXJYMGGAIM-UHFFFAOYSA-N    		 Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OC
    C=C; Cc1cc(OCC=C)cc(c1F)C(=O)NN[S](=O)(=
    O)c2ccccc2; [C@H](=C)COc2cc(C(=O)NNS(c1c
    cccc1)(=O)=O)c(c(C)c2)F    		 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide
    30780 O9Q
    CHEMBL3781227
    ZINC000653729309    		 1 C16 H12 O4 InChI=1S/C16H12O4/c1-9-3-
    2-4-10(5-9)14-8-13(19)16-
    12(18)6-11(17)7-15(16)20-
    14/h2-8,17-18H,1H3;
    IGTBSDZAEVYRPZ-UHFFFAOYSA-N    		 Cc1cccc(c1)C2=CC(=O)c3c(O)cc(O)cc3O2; Cc
    1cccc(c1)C2=CC(=O)c3c(cc(cc3O2)O)O    		 2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one
    30781 O9R 8 C25 H21 N O8 S2 InChI=1S/C25H21NO8S2/c27-
    18-8-6-17(7-9-18)22-13-23
    (29)24(30)14-25(22)36(33,
    34)26-15-16-4-10-20(11-5-
    16)35(31,32)21-3-1-2-19(2
    8)12-21/h1-14,26-30H,15H2;
    GAYXUPABCIZYGF-UHFFFAOYSA-N    		 Oc1ccc(cc1)c2cc(O)c(O)cc2[S](=O)(=O)NCc3
    ccc(cc3)[S](=O)(=O)c4cccc(O)c4; c1cc(cc(
    c1)S(=O)(=O)c2ccc(cc2)CNS(=O)(=O)c3cc(c(
    cc3c4ccc(cc4)O)O)O)O; O=S(=O)(NCc1ccc(cc
    1)S(=O)(=O)c1cc(O)ccc1)c1cc(O)c(O)cc1c1c
    cc(O)cc1    		 4,4',5-trihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide
    30782 O9S
    CHEMBL4513861    		 1 C17 H19 F N2 O4 S InChI=1S/C17H19FN2O4S/c1-
    11(2)24-13-9-12(3)16(18)1
    5(10-13)17(21)19-20-25(22
    ,23)14-7-5-4-6-8-14/h4-11
    ,20H,1-3H3,(H,19,21);
    REQXSAOLNCUPGK-UHFFFAOYSA-N    		 C(=O)(c1c(c(cc(c1)OC(C)C)C)F)NNS(c2ccccc
    2)(=O)=O; CC(C)Oc1cc(C)c(F)c(c1)C(=O)NN[
    S](=O)(=O)c2ccccc2; Cc1cc(cc(c1F)C(=O)NN
    S(=O)(=O)c2ccccc2)OC(C)C    		 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide
    30783 O9T
    CHEMBL182262
    ZINC000028360254    		 1 C16 H12 O4 InChI=1S/C16H12O4/c1-9-2-
    4-10(5-3-9)14-8-13(19)16-
    12(18)6-11(17)7-15(16)20-
    14/h2-8,17-18H,1H3;
    PXFZXOXUQVAZOV-UHFFFAOYSA-N    		 Cc1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O; Cc
    1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2    		 2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one
    30784 O9U 1 C18 H16 Cl N O2 InChI=1S/C18H16ClNO2/c19-
    15-7-6-14(12-20-9-8-16(21
    )11-18(20)22)17(10-15)13-
    4-2-1-3-5-13/h1-7,10-11,2
    1H,8-9,12H2;
    KDZNNGBVIZWMEE-UHFFFAOYSA-N    		 OC1=CC(=O)N(CC1)Cc2ccc(Cl)cc2c3ccccc3; C
    lc1ccc(CN2CCC(O)=CC2=O)c(c1)c1ccccc1; c1
    ccc(cc1)c2cc(ccc2CN3CCC(=CC3=O)O)Cl    		 1-[(5-chloro[1,1'-biphenyl]-2-yl)methyl]-4-hydroxy-5,6-dihydropyridin-2(1H)-one
    30785 O9V
    CHEMBL4560554    		 1 C17 H19 F N2 O4 S InChI=1S/C17H19FN2O4S/c1-
    3-9-24-13-10-12(2)16(18)1
    5(11-13)17(21)19-20-25(22
    ,23)14-7-5-4-6-8-14/h4-8,
    10-11,20H,3,9H2,1-2H3,(H,
    19,21);
    GOFZTZBCDBZRIA-UHFFFAOYSA-N    		 CCCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2
    )F)C; C(=O)(c1c(c(cc(c1)OCCC)C)F)NNS(c2c
    cccc2)(=O)=O; CCCOc1cc(C)c(F)c(c1)C(=O)N
    N[S](=O)(=O)c2ccccc2    		 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide
    30786 O9W
    CHEMBL4790845    		 1 C24 H26 Cl F N6 O InChI=1S/C24H26ClFN6O/c1-
    17-14-30(15-19-3-8-23(26)
    9-4-19)11-12-31(17)24(33)
    10-6-20-5-7-22(25)13-21(2
    0)16-32-28-18(2)27-29-32/
    h3-10,13,17H,11-12,14-16H
    2,1-2H3/b10-6+/t17-/m1/s1;
    VZLIOCMTERNIPD-DKISHCGFSA-N    		 C[C@@H]1CN(CCN1C(=O)/C=C/c2ccc(Cl)cc2Cn3
    nnc(C)n3)Cc4ccc(F)cc4; Cc1nnn(n1)Cc2cc(c
    cc2/C=C/C(=O)N3CCN(C[C@H]3C)Cc4ccc(cc4)F
    )Cl; C[CH]1CN(CCN1C(=O)C=Cc2ccc(Cl)cc2Cn
    3nnc(C)n3)Cc4ccc(F)cc4; Cc1nnn(n1)Cc2cc(
    ccc2C=CC(=O)N3CCN(CC3C)Cc4ccc(cc4)F)Cl    		 (~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one
    30787 O9X 1 C10 H12 F2 N2 O2 InChI=1S/C10H12F2N2O2/c1-
    6-3-4-13-5-8(6)14-9(15)7(
    2)16-10(11)12/h3-5,7,10H,
    1-2H3,(H,14,15)/t7-/m1/s1;
    XVSORZZOZIKMAO-SSDOTTSWSA-N    		 Cc1ccncc1NC(=O)C(C)OC(F)F; O=C(Nc1cnccc1
    C)C(C)OC(F)F; Cc1ccncc1NC(=O)[C@@H](C)OC
    (F)F; C[CH](OC(F)F)C(=O)Nc1cnccc1C; C[C@
    @H](OC(F)F)C(=O)Nc1cnccc1C    		 (2R)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide
    30788 O9Y
    CHEMBL4461380    		 1 C16 H14 F N5 O3 S InChI=1S/C16H14FN5O3S/c1-
    11-9-12(22-18-7-8-19-22)1
    0-14(15(11)17)16(23)20-21
    -26(24,25)13-5-3-2-4-6-13
    /h2-10,21H,1H3,(H,20,23);
    VOTAKFAKQLJZRE-UHFFFAOYSA-N    		 c3(S(NNC(c1c(c(C)cc(c1)n2nccn2)F)=O)(=O)
    =O)ccccc3; Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)
    c2ccccc2)n3nccn3; Cc1cc(cc(C(=O)NN[S](=O
    )(=O)c2ccccc2)c1F)n3nccn3    		 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide
    30789 O9Z
    CHEMBL486407    		 1 C15 H9 F O4 InChI=1S/C15H9FO4/c16-9-3
    -1-8(2-4-9)13-7-12(19)15-
    11(18)5-10(17)6-14(15)20-
    13/h1-7,17-18H;
    XSYORHATJHJUAA-UHFFFAOYSA-N    		 c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)F; Oc
    1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(F)cc3    		 2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one
    30790 OA0 16 C12 H8 O6 S InChI=1S/C12H8O6S/c13-6-1
    -2-7-8-4-9(14)10(15)5-12(
    8)19(16,17)18-11(7)3-6/h1
    -5,13-15H;
    XTOJDXLKTMASKC-UHFFFAOYSA-N    		 Oc1ccc2c(O[S](=O)(=O)c3cc(O)c(O)cc23)c1;
    c1cc-2c(cc1O)OS(=O)(=O)c3c2cc(c(c3)O)O;
    Oc1ccc2c3cc(O)c(O)cc3S(=O)(=O)Oc2c1    		 (10aM)-3,8,9-trihydroxy-6H-6lambda~6~-dibenzo[c,e][1,2]oxathiine-6,6-dione
    30791 OA1
    CHEMBL1234904
    DB08314
    ZINC000053683069    		 2 C10 H7 Br N2 O2 InChI=1S/C10H7BrN2O2/c11-
    7-3-1-2-6(4-7)9(14)8-5-13
    -10(12)15-8/h1-5H,(H2,12,
    13);
    YDCMMVTWXORJGO-UHFFFAOYSA-N    		 O=C(c1cccc(Br)c1)c2oc(nc2)N; Nc1oc(cn1)C
    (=O)c2cccc(Br)c2; c1cc(cc(c1)Br)C(=O)c2c
    nc(o2)N    		 (2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE
    30792 OA2
    CHEMBL1234905
    DB08315
    ZINC000053683073    		 2 C18 H17 N3 O2 InChI=1S/C18H17N3O2/c19-1
    8-20-11-16(23-18)17(22)21
    (12-14-7-3-1-4-8-14)13-15
    -9-5-2-6-10-15/h1-11H,12-
    13H2,(H2,19,20);
    KIJXWOGFYAWTNC-UHFFFAOYSA-N    		 O=C(N(Cc1ccccc1)Cc2ccccc2)c3oc(nc3)N; c1
    ccc(cc1)CN(Cc2ccccc2)C(=O)c3cnc(o3)N; Nc
    1oc(cn1)C(=O)N(Cc2ccccc2)Cc3ccccc3    		 2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE
    30793 OA3
    DB08316
    ZINC000003999417    		 2 C10 H13 N3 O InChI=1S/C10H13N3O/c1-10(
    2)3-6-8(7(14)4-10)9(11)13
    -5-12-6/h5H,3-4H2,1-2H3,(
    H2,11,12,13);
    DYPFWRCGECJCBK-UHFFFAOYSA-N    		 CC1(Cc2c(c(ncn2)N)C(=O)C1)C; O=C2c1c(ncn
    c1N)CC(C2)(C)C; CC1(C)CC(=O)c2c(N)ncnc2C
    1    		 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
    30794 OA4
    DB08317    		 1 C15 H14 N4 InChI=1S/C15H14N4/c1-9-11
    (10-5-3-2-4-6-10)7-8-12-1
    3(9)14(16)19-15(17)18-12/
    h2-8H,1H3,(H4,16,17,18,19
    );
    HUCOXWPHDFINIW-UHFFFAOYSA-N    		 Cc1c(ccc2c1c(nc(n2)N)N)c3ccccc3; n3c1c(c
    (c(cc1)c2ccccc2)C)c(nc3N)N; Cc1c(ccc2nc(
    N)nc(N)c12)c3ccccc3    		 5-methyl-6-phenylquinazoline-2,4-diamine
    30795 OA5
    DB08318
    ZINC000053683076    		 2 C11 H13 N5 O2 InChI=1S/C11H13N5O2/c12-9
    -14-10(13)16-11(15-9)18-7
    -6-17-8-4-2-1-3-5-8/h1-5H
    ,6-7H2,(H4,12,13,14,15,16
    );
    LRQXUZUFSOQMGU-UHFFFAOYSA-N    		 c1ccc(cc1)OCCOc2nc(nc(n2)N)N; Nc1nc(N)nc
    (OCCOc2ccccc2)n1; O(c1nc(nc(n1)N)N)CCOc2
    ccccc2    		 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine
    30796 OA7
    CHEMBL95293
    ZINC000008576188    		 10 C6 H5 N O3 InChI=1S/C6H5NO3/c8-5-2-1
    -4(3-7-5)6(9)10/h1-3H,(H,
    7,8)(H,9,10);
    BLHCMGRVFXRYRN-UHFFFAOYSA-N    		 c1cc(O)ncc1C(O)=O; c1cc(ncc1C(=O)O)O; OC
    (=O)c1ccc(O)nc1    		 6-hydroxypyridine-3-carboxylic acid;
    6-hydroxynicotinic acid
    30797 OA8 3 C10 H18 N O10 P InChI=1S/C10H18NO10P/c1-4
    (12)11-7-8(14)9(20-5(2)13
    )6(21-10(7)15)3-19-22(16,
    17)18/h6-10,14-15H,3H2,1-
    2H3,(H,11,12)(H2,16,17,18
    )/t6-,7+,8-,9-,10?/m1/s1;
    WZFGOBLYIBEZRF-QWIPYHCPSA-N    		 CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)COP
    (=O)(O)O)OC(=O)C)O; CC(=O)N[CH]1[CH](O)O
    [CH](CO[P](O)(O)=O)[CH](OC(C)=O)[CH]1O;
    CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO[P](O)(O
    )=O)[C@@H](OC(C)=O)[C@@H]1O; CC(=O)NC1C(
    C(C(OC1O)COP(=O)(O)O)OC(=O)C)O    		 {[(2R,3S,4R,5S,6S)-3-(acetyloxy)-5-acetamido-4,6-dihydroxyoxan-2-yl]methoxy}phosphonic acid
    30798 OA9
    ZINC000008551948    		 3 C26 H40 N7 O19 P3 S InChI=1S/C26H40N7O19P3S/c
    1-13(8-16(35)36)25(40)56-
    7-6-28-15(34)4-5-29-23(39
    )20(38)26(2,3)10-49-55(46
    ,47)52-54(44,45)48-9-14-1
    9(51-53(41,42)43)18(37)24
    (50-14)33-12-32-17-21(27)
    30-11-31-22(17)33/h8,11-1
    2,14,18-20,24,37-38H,4-7,
    9-10H2,1-3H3,(H,28,34)(H,
    29,39)(H,35,36)(H,44,45)(
    H,46,47)(H2,27,30,31)(H2,
    41,42,43)/b13-8+/t14-,18-
    ,19-,20+,24-/m1/s1;
    LVBVWNJPMXCQJE-CBBDEUQJSA-N    		 CC(=CC(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)
    (C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc
    3c2ncnc3N)O)OP(=O)(O)O)O; CC(=CC(O)=O)C(
    =O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](
    O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH
    ]1O[P](O)(O)=O)n2cnc3c(N)ncnc23; C/C(=C\
    C(=O)O)/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C
    )(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C
    @H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)
    O)O; C\C(=C/C(O)=O)C(=O)SCCNC(=O)CCNC(=O
    )[C@H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)O
    C[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=
    O)n2cnc3c(N)ncnc23    		 Mesaconyl Coenzme A;
    (~{E})-4-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4-oxidanylidene-but-2-enoic acid;
    Mesaconyl-CoA;
    2-methylfumaroyl-CoA
    30799 OAA
    DB02637    		 161 C4 H3 O5 InChI=1S/C4H4O5/c5-2(4(8)
    9)1-3(6)7/h1H2,(H,6,7)(H,
    8,9)/p-1;
    KHPXUQMNIQBQEV-UHFFFAOYSA-M    		 [O-]C(=O)CC(=O)C(=O)O; C(C(=O)C(=O)O)C(=
    O)[O-]; OC(=O)C(=O)CC([O-])=O    		 OXALOACETATE ION
    30800 OAB 3 C10 H18 N O10 P InChI=1S/C10H18NO10P/c1-4
    (12)11-7-9(20-5(2)13)8(14
    )6(21-10(7)15)3-19-22(16,
    17)18/h6-10,14-15H,3H2,1-
    2H3,(H,11,12)(H2,16,17,18
    )/t6-,7+,8-,9-,10?/m1/s1;
    LMXWGHPJIXYEIE-QWIPYHCPSA-N    		 CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[
    CH](O)[CH]1OC(C)=O; CC(=O)N[C@H]1[C@H]([
    C@@H]([C@H](OC1O)COP(=O)(O)O)O)OC(=O)C;
    CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO[P](O)(O
    )=O)[C@@H](O)[C@@H]1OC(C)=O; CC(=O)NC1C(
    C(C(OC1O)COP(=O)(O)O)O)OC(=O)C    		 {[(2R,3S,4R,5S,6S)-5-acetamido-3,6-dihydroxy-4-(2-oxopropyl)oxan-2-yl]methoxy}phosphonic acid
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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