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

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    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    25401 J8N
    CHEMBL4475496    		 11 C16 H17 Cl N2 O4 S2 InChI=1S/C16H17ClN2O4S2/c
    17-13-10-14(24-11-5-2-1-3
    -6-11)12(9-15(13)25(18,22
    )23)16(21)19-7-4-8-20/h1-
    3,5-6,9-10,20H,4,7-8H2,(H
    ,19,21)(H2,18,22,23);
    BMTAXVGCZUSPJX-UHFFFAOYSA-N    		 c1ccc(cc1)Sc2cc(c(cc2C(=O)NCCCO)S(=O)(=O
    )N)Cl; N[S](=O)(=O)c1cc(C(=O)NCCCO)c(Sc2
    ccccc2)cc1Cl    		 4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide
    25402 J8O 0 C17 H15 N5 O InChI=1S/C17H15N5O/c1-22(
    6-7-23)17-12-20-16(11-21-
    17)8-15(10-19)14-4-2-13(9
    -18)3-5-14/h2-5,8,11-12,2
    3H,6-7H2,1H3/b15-8+;
    KAAHKPAHANCLED-OVCLIPMQSA-N    		 CN(CCO)c1cnc(cn1)C=C(C#N)c2ccc(cc2)C#N;
    CN(CCO)c1cnc(cn1)/C=C(\C#N)/c2ccc(cc2)C#
    N; CN(CCO)c1cnc(cn1)\C=C(/C#N)c2ccc(cc2)
    C#N    		 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile
    25403 J8Q
    CHEMBL4466140    		 8 C19 H23 Cl N2 O3 S2 InChI=1S/C19H23ClN2O3S2/c
    1-2-3-10-22-19(23)15-12-1
    8(27(21,24)25)16(20)13-17
    (15)26-11-9-14-7-5-4-6-8-
    14/h4-8,12-13H,2-3,9-11H2
    ,1H3,(H,22,23)(H2,21,24,2
    5);
    GKEVLRUIWRFAPB-UHFFFAOYSA-N    		 CCCCNC(=O)c1cc(c(cc1SCCc2ccccc2)Cl)S(=O)
    (=O)N; CCCCNC(=O)c1cc(c(Cl)cc1SCCc2ccccc
    2)[S](N)(=O)=O    		 ~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide
    25404 J8R 0 C18 H16 N4 O InChI=1S/C18H16N4O/c1-22(
    8-9-23)18-7-4-15(13-21-18
    )10-17(12-20)16-5-2-14(11
    -19)3-6-16/h2-7,10,13,23H
    ,8-9H2,1H3/b17-10+;
    MMFJPNCXBGQMOQ-LICLKQGHSA-N    		 CN(CCO)c1ccc(cn1)/C=C(\C#N)/c2ccc(cc2)C#
    N; CN(CCO)c1ccc(cn1)C=C(C#N)c2ccc(cc2)C#
    N; CN(CCO)c1ccc(cn1)\C=C(/C#N)c2ccc(cc2)
    C#N    		 4-[(~{Z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile
    25405 J8S
    CHEMBL1450144
    ZINC000000865051    		 1 C21 H25 N O2 S InChI=1S/C21H25NO2S/c1-24
    -20-15-18(25-2)8-9-19(20)
    21(23)22-12-10-17(11-13-2
    2)14-16-6-4-3-5-7-16/h3-9
    ,15,17H,10-14H2,1-2H3;
    OMGLGPKQUFSRNN-UHFFFAOYSA-N    		 COc1cc(ccc1C(=O)N2CCC(CC2)Cc3ccccc3)SC;
    COc1cc(SC)ccc1C(=O)N2CCC(CC2)Cc3ccccc3;
    c1c(SC)ccc(c1OC)C(N3CCC(Cc2ccccc2)CC3)=O    		 (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone
    25406 J8T 6 C6 H14 N O6 P InChI=1S/C6H14NO6P/c1-6(2
    ,4(8)5(7)9)3-13-14(10,11)
    12/h4,8H,3H2,1-2H3,(H2,7,
    9)(H2,10,11,12)/t4-/m0/s1;
    UUMQHJQLVJSTLV-BYPYZUCNSA-N    		 CC(C)(COP(=O)(O)O)C(C(=O)N)O; CC(C)(CO[P
    ](O)(O)=O)[CH](O)C(N)=O; CC(C)(CO[P](O)(
    O)=O)[C@@H](O)C(N)=O; CC(C)(COP(=O)(O)O)
    [C@H](C(=O)N)O    		 [(3~{R})-4-azanyl-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
    25407 J8U 0 C21 H22 N4 InChI=1S/C21H22N4/c1-24(2
    )12-13-25(3)21-10-6-17(7-
    11-21)14-20(16-23)19-8-4-
    18(15-22)5-9-19/h4-11,14H
    ,12-13H2,1-3H3/b20-14+;
    BCLYGBLOTWSFBR-XSFVSMFZSA-N    		 CN(C)CCN(C)c1ccc(cc1)/C=C(\C#N)/c2ccc(cc
    2)C#N; CN(C)CCN(C)c1ccc(cc1)\C=C(C#N)\c2
    ccc(cc2)C#N; CN(C)CCN(C)c1ccc(cc1)C=C(C#
    N)c2ccc(cc2)C#N    		 4-[(~{Z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile
    25408 J8V 1 C20 H13 F3 N2 O5 InChI=1S/C20H13F3N2O5/c21
    -20(22,23)15-10-14(30-13-
    7-2-1-3-8-13)16(18(27)25-
    15)17(26)24-12-6-4-5-11(9
    -12)19(28)29/h1-10H,(H,24
    ,26)(H,25,27)(H,28,29);
    QMARDTCIJVODCK-UHFFFAOYSA-N    		 C=2(Oc1ccccc1)C=C(C(F)(F)F)NC(C=2C(=O)Nc
    3cc(ccc3)C(O)=O)=O; OC(=O)c1cccc(NC(=O)C
    2=C(Oc3ccccc3)C=C(NC2=O)C(F)(F)F)c1; c1c
    cc(cc1)OC2=C(C(=O)NC(=C2)C(F)(F)F)C(=O)N
    c3cccc(c3)C(=O)O    		 3-{[2-oxo-4-phenoxy-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid
    25409 J8W 0 C6 H9 N O6 InChI=1S/C6H9NO6/c7-3(6(1
    1)12)2-13-5(10)1-4(8)9/h3
    H,1-2,7H2,(H,8,9)(H,11,12
    )/t3-/m0/s1;
    IAJQGHDQMBZRHZ-VKHMYHEASA-N    		 N[CH](COC(=O)CC(O)=O)C(O)=O; C(C(C(=O)O)
    N)OC(=O)CC(=O)O; C([C@@H](C(=O)O)N)OC(=O
    )CC(=O)O; N[C@@H](COC(=O)CC(O)=O)C(O)=O    		 (2~{S})-2-azanyl-3-(3-oxidanyl-3-oxidanylidene-propanoyl)oxy-propanoic acid
    25410 J8X 0 C19 H17 N3 O2 InChI=1S/C19H17N3O2/c1-22
    (10-11-23)16-8-6-14(7-9-1
    6)12-15(13-20)19-21-17-4-
    2-3-5-18(17)24-19/h2-9,12
    ,23H,10-11H2,1H3/b15-12+;
    PARAUTMXYRINAC-NTCAYCPXSA-N    		 CN(CCO)c1ccc(cc1)\C=C(C#N)\c2oc3ccccc3n2
    ; CN(CCO)c1ccc(cc1)C=C(C#N)c2oc3ccccc3n2
    ; CN(CCO)c1ccc(cc1)C=C(C#N)c2nc3ccccc3o2
    ; CN(CCO)c1ccc(cc1)/C=C(\C#N)/c2nc3ccccc
    3o2    		 (~{E})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile
    25411 J8Y 1 C14 H9 F3 N6 O2 InChI=1S/C14H9F3N6O2/c15-
    14(16,17)10-5-4-9(13(25)1
    9-10)12(24)18-8-3-1-2-7(6
    -8)11-20-22-23-21-11/h1-6
    H,(H,18,24)(H,19,25)(H,20
    ,21,22,23);
    IAVMZDPIQIVLOG-UHFFFAOYSA-N    		 c1cc(cc(c1)NC(=O)C2=CC=C(NC2=O)C(F)(F)F)
    c3[nH]nnn3; FC(F)(F)C1=CC=C(C(=O)Nc2cccc
    (c2)c3[nH]nnn3)C(=O)N1; c1ccc(cc1c2nnnn2
    )NC(C=3C(=O)NC(=CC=3)C(F)(F)F)=O    		 2-oxo-N-[3-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
    25412 J8Z 2 C19 H18 N O5 P S InChI=1S/C19H20NO5PS/c1-1
    3-5-4-6-14(9-13)10-16(12-
    25-26(22,23)24)20-19(21)1
    8-11-15-7-2-3-8-17(15)27-
    18/h2-9,11,16H,10,12H2,1H
    3,(H,20,21)(H2,22,23,24)/
    p-2/t16-/m1/s1;
    VJUQXEZAYUVHJF-MRXNPFEDSA-L    		 Cc1cccc(C[C@H](CO[P]([O-])([O-])=O)NC(=O
    )c2sc3ccccc3c2)c1; [O-]P([O-])(=O)OCC(NC
    (=O)c2sc1ccccc1c2)Cc3cccc(c3)C; Cc1cccc(
    c1)CC(COP(=O)([O-])[O-])NC(=O)c2cc3ccccc
    3s2; Cc1cccc(c1)C[C@H](COP(=O)([O-])[O-]
    )NC(=O)c2cc3ccccc3s2; Cc1cccc(C[CH](CO[P
    ]([O-])([O-])=O)NC(=O)c2sc3ccccc3c2)c1    		 (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate
    25413 J90
    CHEMBL1233732
    ZINC000058649836    		 2 C11 H11 N5 O5 S InChI=1S/C11H11N5O5S/c12-
    22(20,21)8-3-1-7(2-4-8)5-
    13-10-9(16(18)19)11(17)15
    -6-14-10/h1-4,6H,5H2,(H2,
    12,20,21)(H2,13,14,15,17);
    OFSBPMITNGFAFH-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(CNC2=C(C(=O)NC=N2)[N+]
    ([O-])=O)cc1; O=[N+]([O-])C1=C(N=CNC1=O)
    NCc2ccc(cc2)S(=O)(=O)N; c1cc(ccc1CNC2=C(
    C(=O)NC=N2)[N+](=O)[O-])S(=O)(=O)N    		 4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide;
    4-{[(5-nitro-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]methyl}benzenesulfonamide
    25414 J91 1 C20 H12 F4 N2 O5 InChI=1S/C20H12F4N2O5/c21
    -12-5-1-2-7-14(12)31-16-1
    0(19(29)30)4-3-6-13(16)25
    -17(27)11-8-9-15(20(22,23
    )24)26-18(11)28/h1-9H,(H,
    25,27)(H,26,28)(H,29,30);
    KMUJGCDCPZZCCV-UHFFFAOYSA-N    		 C(c2c(Oc1c(cccc1)F)c(ccc2)NC(=O)C3=CC=C(
    C(F)(F)F)NC3=O)(=O)O; c1ccc(c(c1)Oc2c(cc
    cc2NC(=O)C3=CC=C(NC3=O)C(F)(F)F)C(=O)O)F
    ; OC(=O)c1cccc(NC(=O)C2=CC=C(NC2=O)C(F)(
    F)F)c1Oc3ccccc3F    		 2-(2-fluorophenoxy)-3-{[2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl]amino}benzoic acid
    25415 J92
    CHEMBL4588838    		 8 C18 H25 Cl N2 O5 S2 InChI=1S/C18H25ClN2O5S2/c
    1-26-17(22)8-5-9-21-18(23
    )13-10-16(28(20,24)25)14(
    19)11-15(13)27-12-6-3-2-4
    -7-12/h10-12H,2-9H2,1H3,(
    H,21,23)(H2,20,24,25);
    AUBRGAXHAIBSRT-UHFFFAOYSA-N    		 COC(=O)CCCNC(=O)c1cc(c(cc1SC2CCCCC2)Cl)S
    (=O)(=O)N; COC(=O)CCCNC(=O)c1cc(c(Cl)cc1
    SC2CCCCC2)[S](N)(=O)=O    		 methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate
    25416 J93 0 C19 H15 N3 O S2 InChI=1S/C19H15N3OS2/c1-2
    2(6-7-23)19-10-18-17(25-1
    9)9-16(24-18)8-15(12-21)1
    4-4-2-13(11-20)3-5-14/h2-
    5,8-10,23H,6-7H2,1H3/b15-
    8+;
    RIGJCKIIBUZTCX-OVCLIPMQSA-N    		 CN(CCO)c1sc2cc(sc2c1)\C=C(/C#N)c3ccc(cc3
    )C#N; CN(CCO)c1cc2c(s1)cc(s2)/C=C(\C#N)/
    c3ccc(cc3)C#N; CN(CCO)c1cc2c(s1)cc(s2)C=
    C(C#N)c3ccc(cc3)C#N; CN(CCO)c1sc2cc(sc2c
    1)C=C(C#N)c3ccc(cc3)C#N    		 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile
    25417 J94
    CHEMBL515679
    ZINC000000629244    		 16 C21 H20 N O6 InChI=1S/C21H20NO6/c1-22(
    2)6-5-11-7-15-16(26-9-25-
    15)8-13(11)18(22)19-12-3-
    4-14-20(27-10-24-14)17(12
    )21(23)28-19/h3-4,7-8,18-
    19H,5-6,9-10H2,1-2H3/q+1/
    t18-,19+/m0/s1;
    WDIQXKYUSINZME-RBUKOAKNSA-N    		 O=C2OC(c3ccc1OCOc1c23)C5c4cc6OCOc6cc4CC[
    N+]5(C)C; C[N+]1(CCc2cc3c(cc2[C@H]1[C@H]
    4c5ccc6c(c5C(=O)O4)OCO6)OCO3)C; C[N+]1(C
    )CCc2cc3OCOc3cc2[C@H]1[C@@H]4OC(=O)c5c6O
    COc6ccc45; C[N+]1(CCc2cc3c(cc2C1C4c5ccc6
    c(c5C(=O)O4)OCO6)OCO3)C; C[N+]1(C)CCc2cc
    3OCOc3cc2[CH]1[CH]4OC(=O)c5c6OCOc6ccc45    		 (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
    25418 J95
    CHEMBL4174214    		 4 C17 H26 Cl N3 O3 S InChI=1S/C17H26ClN3O3S/c1
    -2-3-9-20-17(22)13-10-16(
    25(19,23)24)14(18)11-15(1
    3)21-12-7-5-4-6-8-12/h10-
    12,21H,2-9H2,1H3,(H,20,22
    )(H2,19,23,24);
    WVNMCWQJUJCKNS-UHFFFAOYSA-N    		 CCCCNC(=O)c1cc(c(cc1NC2CCCCC2)Cl)S(=O)(=
    O)N; CCCCNC(=O)c1cc(c(Cl)cc1NC2CCCCC2)[S
    ](N)(=O)=O    		 ~{N}-butyl-4-chloranyl-2-(cyclohexylamino)-5-sulfamoyl-benzamide
    25419 J96 1 C59 H99 N7 O24 S InChI=1S/C59H99N7O24S/c67
    -51(11-4-3-10-50-55-48(44
    -91-50)65-59(77)66-55)61-
    16-19-79-22-24-81-26-28-8
    3-30-32-85-34-36-87-38-40
    -89-42-41-88-39-37-86-35-
    33-84-31-29-82-27-25-80-2
    3-21-78-18-14-52(68)62-17
    -20-90-49-9-2-1-7-45(49)4
    3-53(69)60-15-6-5-8-46(56
    (72)73)63-58(76)64-47(57(
    74)75)12-13-54(70)71/h1-2
    ,7,9,46-48,50,55H,3-6,8,1
    0-44H2,(H,60,69)(H,61,67)
    (H,62,68)(H,70,71)(H,72,7
    3)(H,74,75)(H2,63,64,76)(
    H2,65,66,77)/t46-,47-,48-
    ,50-,55-/m0/s1;
    GKXYXVKHEPOANF-KCKUEOPDSA-N    		 c1ccc(c(c1)CC(=O)NCCCC[C@@H](C(=O)O)NC(=
    O)N[C@@H](CCC(=O)O)C(=O)O)OCCNC(=O)CCOCC
    OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C
    CCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3; c1cc
    c(c(c1)CC(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(
    =O)O)C(=O)O)OCCNC(=O)CCOCCOCCOCCOCCOCCOC
    COCCOCCOCCOCCOCCOCCNC(=O)CCCCC2C3C(CS2)N
    C(=O)N3; OC(=O)CC[C@H](NC(=O)N[C@@H](CCC
    CNC(=O)Cc1ccccc1OCCNC(=O)CCOCCOCCOCCOCCO
    CCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]2
    SC[C@@H]3NC(=O)N[C@H]23)C(O)=O)C(O)=O; O
    =C(O)C(NC(=O)NC(C(=O)O)CCCCNC(=O)Cc3cccc
    c3OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCC
    OCCOCCOCCNC(=O)CCCCC1SCC2NC(=O)NC12)CCC(
    =O)O; OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O
    )Cc1ccccc1OCCNC(=O)CCOCCOCCOCCOCCOCCOCCO
    CCOCCOCCOCCOCCOCCNC(=O)CCCC[CH]2SC[CH]3N
    C(=O)N[CH]23)C(O)=O)C(O)=O
    25420 J97 1 C20 H11 Cl2 F3 N2 O4 S InChI=1S/C20H11Cl2F3N2O4S
    /c21-11-5-2-6-12(22)16(11
    )32-13-8-14(20(23,24)25)2
    7-18(29)15(13)17(28)26-10
    -4-1-3-9(7-10)19(30)31/h1
    -8H,(H,26,28)(H,27,29)(H,
    30,31);
    HFBGFWJURBVNFD-UHFFFAOYSA-N    		 c1cc(cc(c1)NC(=O)C2=C(C=C(NC2=O)C(F)(F)F
    )Sc3c(cccc3Cl)Cl)C(=O)O; c3(SC1=C(C(=O)N
    C(=C1)C(F)(F)F)C(Nc2cccc(c2)C(=O)O)=O)c(
    Cl)cccc3Cl; OC(=O)c1cccc(NC(=O)C2=C(Sc3c
    (Cl)cccc3Cl)C=C(NC2=O)C(F)(F)F)c1    		 3-({4-[(2,6-dichlorophenyl)sulfanyl]-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonyl}amino)benzoic acid
    25421 J98 1 C29 H33 F3 N8 O2 S2 InChI=1S/C29H33F3N8O2S2/c
    1-4-9-40(28-35-23(17-43-2
    8)27-36-25(33)16-26(34)37
    -27)24-14-19(6-5-18(24)2)
    21-8-7-20(15-22(21)29(30,
    31)32)44(41,42)39-12-10-3
    8(3)11-13-39/h5-8,14-17H,
    4,9-13H2,1-3H3,(H4,33,34,
    36,37);
    MBWMCTDCERPQCK-UHFFFAOYSA-N    		 CCCN(c1scc(n1)c2nc(N)cc(N)n2)c3cc(ccc3C)
    c4ccc(cc4C(F)(F)F)[S](=O)(=O)N5CCN(C)CC5
    ; CCCN(c1cc(ccc1C)c2ccc(cc2C(F)(F)F)S(=O
    )(=O)N3CCN(CC3)C)c4nc(cs4)c5nc(cc(n5)N)N    		 2-[2-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-(trifluoromethyl)phenyl]phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine
    25422 J99
    CHEMBL3286829
    ZINC000098209037    		 1 C23 H24 F N5 O2 InChI=1S/C23H24FN5O2/c1-1
    2-17-9-15(24)6-7-16(17)23
    (30)28(2)11-18-20(21(13-4
    -5-13)27-29(18)3)14-8-19(
    31-12)22(25)26-10-14/h6-1
    0,12-13H,4-5,11H2,1-3H3,(
    H2,25,26)/t12-/m1/s1;
    SBEYSILWLYDNSN-GFCCVEGCSA-N    		 CC1c2cc(ccc2C(=O)N(Cc3c(c(nn3C)C4CC4)-c5
    cc(c(nc5)N)O1)C)F; C[C@@H]1c2cc(ccc2C(=O
    )N(Cc3c(c(nn3C)C4CC4)-c5cc(c(nc5)N)O1)C)
    F; Fc3ccc2C(=O)N(Cc1n(nc(c1c4cc(OC(c2c3)
    C)c(nc4)N)C5CC5)C)C; C[C@H]1Oc2cc(cnc2N)
    c3c(CN(C)C(=O)c4ccc(F)cc14)n(C)nc3C5CC5;
    C[CH]1Oc2cc(cnc2N)c3c(CN(C)C(=O)c4ccc(F
    )cc14)n(C)nc3C5CC5    		 (10R)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one
    25423 J9A 0 C8 H15 N3 O5 InChI=1S/C8H15N3O5/c9-4(1
    -2-6(12)13)7(14)11-3-5(10
    )8(15)16/h4-5H,1-3,9-10H2
    ,(H,11,14)(H,12,13)(H,15,
    16)/t4-,5-/m0/s1;
    RPRHUASTZXFZKO-WHFBIAKZSA-N    		 N[C@@H](CCC(O)=O)C(=O)NC[C@H](N)C(O)=O;
    N[CH](CCC(O)=O)C(=O)NC[CH](N)C(O)=O; C(C
    C(=O)O)C(C(=O)NCC(C(=O)O)N)N; O=C(O)CCC(
    N)C(=O)NCC(C(=O)O)N; C(CC(=O)O)[C@@H](C(
    =O)NC[C@@H](C(=O)O)N)N    		 N-[(2S)-2-amino-2-carboxyethyl]-L-alpha-glutamine
    25424 J9B 2 C13 H11 Cl2 N5 InChI=1S/C13H11Cl2N5/c1-1
    6-11-10-12(19-13(15)18-11
    )20(7-17-10)6-8-3-2-4-9(1
    4)5-8/h2-5,7H,6H2,1H3,(H,
    16,18,19);
    HBDBUHLHHMNOIL-UHFFFAOYSA-N    		 CNc1c2c(nc(n1)Cl)n(cn2)Cc3cccc(c3)Cl; CN
    c1nc(Cl)nc2n(Cc3cccc(Cl)c3)cnc12    		 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-methyl-purin-6-amine
    25425 J9C 4 C21 H19 N7 O InChI=1S/C21H19N7O/c1-14-
    8-9-18(25-16-11-22-13-23-
    12-16)20(24-14)21(29)26-1
    9-10-15(2)27-28(19)17-6-4
    -3-5-7-17/h3-13,25H,1-2H3
    ,(H,26,29);
    DDESJCGZXKIHDE-UHFFFAOYSA-N    		 Cc1ccc(Nc2cncnc2)c(n1)C(=O)Nc1cc(C)nn1c1
    ccccc1; Cc1ccc(Nc2cncnc2)c(n1)C(=O)Nc3cc
    (C)nn3c4ccccc4; Cc1ccc(c(n1)C(=O)Nc2cc(n
    n2c3ccccc3)C)Nc4cncnc4    		 6-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
    25426 J9D 1 C16 H15 N7 O InChI=1S/C16H15N7O/c17-8-
    11-1-3-12(4-2-11)20-16-21
    -14(18)7-15(22-16)23-9-13
    (5-6-24)19-10-23/h1-4,7,9
    -10,24H,5-6H2,(H3,18,20,2
    1,22);
    OVFXXQZOTWTSJA-UHFFFAOYSA-N    		 c3(nc(Nc1ccc(cc1)C#N)nc(n2cnc(CCO)c2)c3)
    N; c1cc(ccc1C#N)Nc2nc(cc(n2)n3cc(nc3)CCO
    )N; Nc1cc(nc(Nc2ccc(cc2)C#N)n1)n3cnc(CCO
    )c3    		 4-({4-amino-6-[4-(2-hydroxyethyl)-1H-imidazol-1-yl]pyrimidin-2-yl}amino)benzonitrile
    25427 J9E
    CHEMBL4564430    		 1 C20 H24 F2 N2 O InChI=1S/C20H24F2N2O/c21-
    13-10-16(22)15-12-18(24-1
    7(15)11-13)19(25)23-14-4-
    8-20(9-5-14)6-2-1-3-7-20/
    h10-12,14,24H,1-9H2,(H,23
    ,25);
    FQMYGGFYZZTJBK-UHFFFAOYSA-N    		 C(=O)(NC2CCC1(CCCCC1)CC2)c4cc3c(cc(cc3n4
    )F)F; c1c(cc(c2c1[nH]c(c2)C(=O)NC3CCC4(C
    CCCC4)CC3)F)F; Fc1cc(F)c2cc([nH]c2c1)C(=
    O)N[CH]3CC[C]4(CC[CH2]CC4)CC3    		 4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide
    25428 J9F
    CHEMBL276228
    ZINC000084428709    		 1 C10 H9 N O3 S InChI=1S/C10H9NO3S/c12-8-
    4-2-1-3-6(8)9-11-7(5-15-9
    )10(13)14/h1-4,7,12H,5H2,
    (H,13,14)/t7-/m1/s1;
    CECDPVOEINSAQG-SSDOTTSWSA-N    		 c1ccc(c(c1)C2=NC(CS2)C(=O)O)O; OC(=O)[CH
    ]1CSC(=N1)c2ccccc2O; OC(=O)[C@H]1CSC(=N1
    )c2ccccc2O; c1ccc(c(c1)C2=N[C@H](CS2)C(=
    O)O)O    		 (4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
    25429 J9G 1 C19 H14 F2 N4 O InChI=1S/C19H14F2N4O/c20-
    13-6-7-16(15(21)8-13)23-1
    4-9-17-18(22-10-14)25(19(
    26)24-17)11-12-4-2-1-3-5-
    12/h1-10,23H,11H2,(H,24,2
    6);
    SCEQLDKCKSDIGD-UHFFFAOYSA-N    		 c1ccc(cc1)CN2c3c(cc(cn3)Nc4ccc(cc4F)F)NC
    2=O; c4c(Nc1cnc2c(c1)NC(N2Cc3ccccc3)=O)c
    (cc(c4)F)F; Fc1ccc(Nc2cnc3N(Cc4ccccc4)C(
    =O)Nc3c2)c(F)c1    		 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
    25430 J9H 2 C17 H18 N3 Pt InChI=1S/C14H13N2.C2H2.CH
    3.H2N.Pt/c1-9-3-5-11-7-8-
    12-6-4-10(2)16-14(12)13(1
    1)15-9;1-2;;;/h3-5,7-8H,6
    H2,1-2H3;1-2H;1H3;1H2;/q-
    1;;;-1;+3;
    LXADSRPTCIXTGZ-UHFFFAOYSA-N    		 Cc1ccc2ccc3c4c2[n+]1[Pt]5(N4C(=CC3)C)([C
    ]=[C]5)(C)N; CC1=CCc2ccc3ccc(C)[n+]4c3c2
    N1[Pt]4(C)N.C=C    		 pentacoordinate Pt(II) compound
    25431 J9I 1 C26 H29 N7 S InChI=1S/C26H29N7S/c1-18-
    3-6-21(20-7-4-19(5-8-20)1
    6-33-13-11-32(2)12-14-33)
    15-22(18)29-26-30-23(17-3
    4-26)25-28-10-9-24(27)31-
    25/h3-10,15,17H,11-14,16H
    2,1-2H3,(H,29,30)(H2,27,2
    8,31);
    NXMIBBNDQZPGDZ-UHFFFAOYSA-N    		 Cc1ccc(cc1Nc2nc(cs2)c3nccc(n3)N)c4ccc(cc
    4)CN5CCN(CC5)C; CN1CCN(CC1)Cc2ccc(cc2)c3
    ccc(C)c(Nc4scc(n4)c5nccc(N)n5)c3    		 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]-1,3-thiazol-2-amine
    25432 J9K
    CHEMBL3814479
    ZINC000263620767    		 1 C23 H31 N3 O3 S InChI=1S/C23H31N3O3S/c1-2
    3(2,3)29-22(28)26-20(14-1
    8-8-5-4-6-9-18)17-30-13-1
    1-21(27)25-16-19-10-7-12-
    24-15-19/h4-10,12,15,20H,
    11,13-14,16-17H2,1-3H3,(H
    ,25,27)(H,26,28)/t20-/m0/
    s1;
    MVQZDJDMEHCEJW-FQEVSTJZSA-N    		 CC(C)(C)OC(=O)NC(Cc1ccccc1)CSCCC(=O)NCc2
    cccnc2; CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)
    CSCCC(=O)NCc2cccnc2; CC(C)(C)OC(=O)N[CH]
    (CSCCC(=O)NCc1cccnc1)Cc2ccccc2; O=C(OC(C
    )(C)C)NC(Cc1ccccc1)CSCCC(=O)NCc2cccnc2;
    CC(C)(C)OC(=O)N[C@H](CSCCC(=O)NCc1cccnc1
    )Cc2ccccc2    		 tert-butyl [(2S)-1-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)-3-phenylpropan-2-yl]carbamate
    25433 J9L
    CHEMBL5195115    		 1 C15 H17 N3 O2 InChI=1S/C15H17N3O2/c1-8-
    5-4-6-11-12(8)10(7-17-11)
    9(2)13-14(19)18-15(16-3)2
    0-13/h4-7,9,13,17H,1-3H3,
    (H,16,18,19)/t9-,13+/m1/s
    1;
    SAVVFPXZFDVWPD-RNCFNFMXSA-N    		 CNC1=NC(=O)[CH](O1)[CH](C)c2c[nH]c3cccc(
    C)c23; Cc1cccc2c1c(c[nH]2)[C@@H](C)[C@H]
    3C(=O)N=C(O3)NC; Cc1cccc2c1c(c[nH]2)C(C)
    C3C(=O)N=C(O3)NC; CNC1=NC(=O)[C@@H](O1)[
    C@H](C)c2c[nH]c3cccc(C)c23    		 (5S)-2-(methylamino)-5-[(1R)-1-(4-methyl-1H-indol-3-yl)ethyl]-1,3-oxazol-4-one
    25434 J9N 2 C7 H7 N3 S InChI=1S/C7H7N3S/c8-7-4-5
    (9-10-7)6-2-1-3-11-6/h1-3
    H,4H2,(H2,8,10);
    NPCGWFCMHOFZHD-UHFFFAOYSA-N    		 c1cc(sc1)c2cc([nH]n2)N; Nc1[nH]nc(c1)c2s
    ccc2    		 3-thiophen-2-yl-1H-pyrazol-5-amine;
    5-amino-3-(2-thienyl)-pyrazole
    25435 J9O
    ZINC000029043264    		 1 C30 H31 Cl N4 O4 InChI=1S/C30H31ClN4O4/c1-
    3-38-27-11-7-6-10-26(27)3
    5-29(32-25-9-5-4-8-24(25)
    30(35)37)21(2)33-16-18-34
    (19-17-33)28(36)20-39-23-
    14-12-22(31)13-15-23/h4-1
    5,21H,3,16-20H2,1-2H3/t21
    -/m0/s1;
    BKQFRNYHFIQEKN-NRFANRHFSA-N    		 CCOc1ccccc1N2C(=O)c3ccccc3N=C2C(C)N4CCN(
    CC4)C(=O)COc5ccc(cc5)Cl; CCOc1ccccc1N2C(
    =O)c3ccccc3N=C2[C@H](C)N4CCN(CC4)C(=O)CO
    c5ccc(cc5)Cl; CCOc1ccccc1N2C(=O)c3ccccc3
    N=C2[CH](C)N4CCN(CC4)C(=O)COc5ccc(Cl)cc5
    ; CCOc1ccccc1N2C(=O)c3ccccc3N=C2[C@H](C)
    N4CCN(CC4)C(=O)COc5ccc(Cl)cc5    		 2-[(1S)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one
    25436 J9P
    ZINC000005514857    		 1 C21 H36 O5 InChI=1S/C21H36O5/c1-3-4-
    13-21(2,26)14-9-11-17-16(
    18(22)15-19(17)23)10-7-5-
    6-8-12-20(24)25/h9,11,16-
    17,19,23,26H,3-8,10,12-15
    H2,1-2H3,(H,24,25)/b11-9+
    /t16-,17-,19-,21+/m1/s1;
    CNWGPXZGIIOYDL-AGRNYGATSA-N    		 CCCC[C@@](C)(C/C=C/[C@H]1[C@@H](CC(=O)[C
    @@H]1CCCCCCC(=O)O)O)O; CCCC[C@](C)(O)C\C
    =C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)
    =O; CCCCC(C\C=C\C1C(C(CC1O)=O)CCCCCCC(O)
    =O)(C)O; CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCC
    C(=O)O)O)O; CCCC[C](C)(O)CC=C[CH]1[CH](O
    )CC(=O)[CH]1CCCCCCC(O)=O    		 (11alpha,12alpha,13E,16S)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid
    25437 J9Q
    ZINC000004271694    		 2 C9 H8 N2 O InChI=1S/C9H8N2O/c10-8-4-
    2-1-3-7(8)9-5-11-6-12-9/h
    1-6H,10H2;
    UZPQWOKKMYUKNI-UHFFFAOYSA-N    		 c1ccc(c(c1)c2cnco2)N; Nc1ccccc1c2ocnc2 2-(1,3-oxazol-5-yl)aniline
    25438 J9R
    CHEMBL3894759    		 2 C20 H20 F3 N5 O2 InChI=1S/C20H20F3N5O2/c1-
    27-10-13(8-25-27)15-7-17(
    19(24)29)26-16-6-12(2-3-1
    4(15)16)9-28-4-5-30-18(11
    -28)20(21,22)23/h2-3,6-8,
    10,18H,4-5,9,11H2,1H3,(H2
    ,24,29)/t18-/m0/s1;
    PUIAIYDBFPDZPF-SFHVURJKSA-N    		 Cn1cc(cn1)c2cc(nc3c2ccc(c3)CN4CCOC(C4)C(
    F)(F)F)C(=O)N; Cn1cc(cn1)c2cc(nc3cc(CN4C
    CO[CH](C4)C(F)(F)F)ccc23)C(N)=O; Cn1cc(c
    n1)c2cc(nc3c2ccc(c3)CN4CCO[C@@H](C4)C(F)
    (F)F)C(=O)N; Cn1cc(cn1)c2cc(nc3cc(CN4CCO
    [C@@H](C4)C(F)(F)F)ccc23)C(N)=O    		 4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
    25439 J9S 1 C25 H23 N3 O7 S2 InChI=1S/C25H23N3O7S2/c1-
    35-21-7-3-2-6-19(21)24(25
    (32)28(15-23(30)31)14-17-
    5-4-12-36-17)27-37(33,34)
    18-9-10-20-16(13-18)8-11-
    22(29)26-20/h2-13,24,27H,
    14-15H2,1H3,(H,26,29)(H,3
    0,31)/t24-/m0/s1;
    OIUMFGYEVQJCBR-DEOSSOPVSA-N    		 COc1ccccc1[C@H](N[S](=O)(=O)c2ccc3NC(=O)
    C=Cc3c2)C(=O)N(CC(O)=O)Cc4sccc4; COc1ccc
    cc1[CH](N[S](=O)(=O)c2ccc3NC(=O)C=Cc3c2)
    C(=O)N(CC(O)=O)Cc4sccc4; COc1ccccc1C(C(=
    O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c
    3)C=CC(=O)N4; N(C(c1c(cccc1)OC)C(N(Cc2cc
    cs2)CC(=O)O)=O)S(c4cc3c(NC(=O)C=C3)cc4)(
    =O)=O; COc1ccccc1[C@@H](C(=O)N(Cc2cccs2)
    CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4    		 N-[(2S)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine
    25440 J9T
    ZINC000019015190    		 2 C7 H8 N2 O2 InChI=1S/C7H8N2O2/c1-11-7
    (10)5-2-3-9-6(8)4-5/h2-4H
    ,1H3,(H2,8,9);
    SVWWNEYBEFASMP-UHFFFAOYSA-N    		 COC(=O)c1ccnc(N)c1; COC(=O)c1ccnc(c1)N methyl 2-azanylpyridine-4-carboxylate
    25441 J9U 1 C21 H21 F2 N5 O InChI=1S/C21H21F2N5O/c1-1
    2-20-16(6-8-28(12)11-14-5
    -7-25-27(14)2)17(10-19(26
    -20)21(24)29)15-4-3-13(22
    )9-18(15)23/h3-5,7,9-10,1
    2H,6,8,11H2,1-2H3,(H2,24,
    29)/t12-/m1/s1;
    JPQHCBORHNWOOF-GFCCVEGCSA-N    		 C[C@H]1N(CCc2c1nc(cc2c3ccc(F)cc3F)C(N)=O
    )Cc4ccnn4C; CC1c2c(c(cc(n2)C(=O)N)c3ccc(
    cc3F)F)CCN1Cc4ccnn4C; C[C@@H]1c2c(c(cc(n
    2)C(=O)N)c3ccc(cc3F)F)CCN1Cc4ccnn4C; C[C
    H]1N(CCc2c1nc(cc2c3ccc(F)cc3F)C(N)=O)Cc4
    ccnn4C    		 (8~{R})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{H}-1,7-naphthyridine-2-carboxamide
    25442 J9V 1 C25 H23 N3 O7 S2 InChI=1S/C25H23N3O7S2/c1-
    35-21-7-3-2-6-19(21)24(25
    (32)28(15-23(30)31)14-17-
    5-4-12-36-17)27-37(33,34)
    18-9-10-20-16(13-18)8-11-
    22(29)26-20/h2-13,24,27H,
    14-15H2,1H3,(H,26,29)(H,3
    0,31)/t24-/m1/s1;
    OIUMFGYEVQJCBR-XMMPIXPASA-N    		 COc1ccccc1[CH](N[S](=O)(=O)c2ccc3NC(=O)C
    =Cc3c2)C(=O)N(CC(O)=O)Cc4sccc4; COc1cccc
    c1C(C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3
    ccc4c(c3)C=CC(=O)N4; COc1ccccc1[C@@H](N[
    S](=O)(=O)c2ccc3NC(=O)C=Cc3c2)C(=O)N(CC(
    O)=O)Cc4sccc4; COc1ccccc1[C@H](C(=O)N(Cc
    2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC
    (=O)N4; N(C(c1c(cccc1)OC)C(N(Cc2cccs2)CC
    (O)=O)=O)S(c4cc3c(NC(=O)C=C3)cc4)(=O)=O    		 N-[(2R)-2-(2-methoxyphenyl)-2-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}acetyl]-N-[(thiophen-2-yl)methyl]glycine
    25443 J9W
    CHEMBL1720051
    ZINC000000001098    		 2 C8 H5 N O3 InChI=1S/C8H5NO3/c10-7-5-
    3-1-2-4-6(5)12-8(11)9-7/h
    1-4H,(H,9,10,11);
    OAYRYNVEFFWSHK-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)NC(=O)O2; O=C1NC(=O)c2cc
    ccc2O1    		 1,3-benzoxazine-2,4-dione
    25444 J9X
    ZINC000020204737    		 2 C4 H7 N O3 InChI=1S/C4H7NO3/c1-2-5-3
    (6)4(7)8/h2H2,1H3,(H,5,6)
    (H,7,8);
    DXRIITVFSTUKPW-UHFFFAOYSA-N    		 CCNC(=O)C(=O)O; CCNC(=O)C(O)=O 2-(ethylamino)-2-oxidanylidene-ethanoic acid
    25445 J9Y 2 C7 H16 N4 O3 InChI=1S/C7H16N4O3/c1-10-
    7(9)11(14)4-2-3-5(8)6(12)
    13/h5,14H,2-4,8H2,1H3,(H3
    ,9,10,12,13)/t5-/m0/s1;
    AZWNHVHYFWVYQE-YFKPBYRVSA-N    		 CN\C(N)=[N+](O)/CCC[C@H](N)C([O-])=O; CN
    C(N)=[N+](O)CCC[CH](N)C([O-])=O; NC(CCC/
    [N+](O)=C(/N)NC)C([O-])=O; CN/C(=[N+](\C
    CC[C@@H](C(=O)[O-])N)/O)/N; CNC(=[N+](CC
    CC(C(=O)[O-])N)O)N    		 (2S)-2-amino-5-{[(E)-amino(methylamino)methylidene](hydroxy)azaniumyl}pentanoate
    25446 J9Z 2 C18 H16 N O5 P S InChI=1S/C18H18NO5PS/c20-
    18(17-11-14-8-4-5-9-16(14
    )26-17)19-15(12-24-25(21,
    22)23)10-13-6-2-1-3-7-13/
    h1-9,11,15H,10,12H2,(H,19
    ,20)(H2,21,22,23)/p-2/t15
    -/m1/s1;
    SXNKHSLGMRZBAC-OAHLLOKOSA-L    		 [O-][P]([O-])(=O)OC[CH](Cc1ccccc1)NC(=O)
    c2sc3ccccc3c2; [O-][P]([O-])(=O)OC[C@@H]
    (Cc1ccccc1)NC(=O)c2sc3ccccc3c2; c1ccc(cc
    1)CC(COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3
    s2; [O-]P([O-])(=O)OCC(NC(=O)c2sc1ccccc1
    c2)Cc3ccccc3; c1ccc(cc1)C[C@H](COP(=O)([
    O-])[O-])NC(=O)c2cc3ccccc3s2    		 (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate
    25447 JA0 2 C13 H11 Cl F N5 InChI=1S/C13H11ClFN5/c1-1
    6-11-10-12(19-13(15)18-11
    )20(7-17-10)6-8-3-2-4-9(1
    4)5-8/h2-5,7H,6H2,1H3,(H,
    16,18,19);
    QRWOWCTYTJNZEE-UHFFFAOYSA-N    		 CNc1c2c(nc(n1)F)n(cn2)Cc3cccc(c3)Cl; CNc
    1nc(F)nc2n(Cc3cccc(Cl)c3)cnc12    		 9-[(3-chlorophenyl)methyl]-2-fluoranyl-~{N}-methyl-purin-6-amine
    25448 JA1
    CHEMBL264417
    ZINC000029050109    		 9 C18 H21 N O4 InChI=1S/C18H21NO4/c1-2-3
    -4-5-6-14-7-12-18(17(20)1
    3-14)23-16-10-8-15(9-11-1
    6)19(21)22/h7-13,20H,2-6H
    2,1H3;
    NNNQXCYHIVPZRH-UHFFFAOYSA-N    		 CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)[N+](=O)[O
    -]; [O-][N+](=O)c2ccc(Oc1ccc(cc1O)CCCCCC
    )cc2; CCCCCCc1ccc(Oc2ccc(cc2)[N+]([O-])=
    O)c(O)c1    		 5-HEXYL-2-(4-NITROPHENOXY)PHENOL
    25449 JA2
    CHEMBL468994
    ZINC000002568410    		 2 C12 H17 N3 InChI=1S/C12H17N3/c13-9-5
    -1-2-8-12-14-10-6-3-4-7-1
    1(10)15-12/h3-4,6-7H,1-2,
    5,8-9,13H2,(H,14,15);
    XTJRXHPNZGDOGE-UHFFFAOYSA-N    		 c1ccc2c(c1)[nH]c(n2)CCCCCN; n2c1ccccc1nc
    2CCCCCN; NCCCCCc1[nH]c2ccccc2n1    		 5-(1H-benzimidazol-2-yl)pentan-1-amine
    25450 JA3
    CHEMBL2178291
    ZINC000043200327    		 8 C13 H11 F2 N O2 InChI=1S/C13H11F2NO2/c1-2
    -8-6-10(17)12(7-9(8)14)18
    -11-4-3-5-16-13(11)15/h3-
    7,17H,2H2,1H3;
    BJEMGBNLIALWCL-UHFFFAOYSA-N    		 Fc2ncccc2Oc1cc(F)c(cc1O)CC; CCc1cc(O)c(O
    c2cccnc2F)cc1F; CCc1cc(c(cc1F)Oc2cccnc2F
    )O    		 5-ethyl-4-fluoro-2-[(2-fluoropyridin-3-yl)oxy]phenol
    25451 JA4 1 C25 H22 Cl N3 O7 S2 InChI=1S/C25H22ClN3O7S2/c
    1-36-20-7-3-2-6-17(20)24(
    25(33)29(14-23(31)32)13-1
    6-5-4-10-37-16)28-38(34,3
    5)21-11-15-8-9-22(30)27-1
    9(15)12-18(21)26/h2-12,24
    ,28H,13-14H2,1H3,(H,27,30
    )(H,31,32)/t24-/m1/s1;
    AZINZNCYZJSBMU-XMMPIXPASA-N    		 C2=Cc1cc(c(Cl)cc1NC2=O)S(NC(c3ccccc3OC)C
    (=O)N(CC(=O)O)Cc4cccs4)(=O)=O; COc1ccccc
    1C(C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3c
    c4c(cc3Cl)NC(=O)C=C4; COc1ccccc1[C@@H](N
    [S](=O)(=O)c2cc3C=CC(=O)Nc3cc2Cl)C(=O)N(
    CC(O)=O)Cc4sccc4; COc1ccccc1[CH](N[S](=O
    )(=O)c2cc3C=CC(=O)Nc3cc2Cl)C(=O)N(CC(O)=
    O)Cc4sccc4; COc1ccccc1[C@H](C(=O)N(Cc2cc
    cs2)CC(=O)O)NS(=O)(=O)c3cc4c(cc3Cl)NC(=O
    )C=C4    		 N-[(2R)-2-{[(7-chloro-2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}-2-(2-methoxyphenyl)acetyl]-N-[(thiophen-2-yl)methyl]glycine
    25452 JA5 1 C9 H9 N O3 S InChI=1S/C9H9NO3S/c1-13-9
    (12)7-3-5-2-6(4-11)14-8(5
    )10-7/h2-3,10-11H,4H2,1H3;
    FJDCCIDVLHNLOW-UHFFFAOYSA-N    		 COC(=O)c1[nH]c2sc(CO)cc2c1; COC(=O)c1cc2
    cc(sc2[nH]1)CO    		 methyl 2-(hydroxymethyl)-6~{H}-thieno[2,3-b]pyrrole-5-carboxylate
    25453 JA6 1 C18 H23 F N2 O2 InChI=1S/C18H23FN2O2/c1-1
    2(22)21(16-10-11-16)17(13
    -6-8-14(19)9-7-13)18(23)2
    0-15-4-2-3-5-15/h6-9,15-1
    7H,2-5,10-11H2,1H3,(H,20,
    23)/t17-/m1/s1;
    WMTNJDDVDAMKPW-QGZVFWFLSA-N    		 CC(=O)N(C1CC1)[C@H](c2ccc(cc2)F)C(=O)NC3
    CCCC3; CC(=O)N(C1CC1)[CH](C(=O)NC2CCCC2)
    c3ccc(F)cc3; CC(=O)N(C1CC1)[C@@H](C(=O)N
    C2CCCC2)c3ccc(F)cc3; CC(=O)N(C1CC1)C(c2c
    cc(cc2)F)C(=O)NC3CCCC3    		 (2R)-N-cyclopentyl-2-[cyclopropyl(ethanoyl)amino]-2-(4-fluorophenyl)ethanamide
    25454 JA7 1 C29 H29 N3 O9 S2 InChI=1S/C29H29N3O9S2/c33
    -25-13-10-19-16-21(11-12-
    23(19)30-25)43(39,40)31-2
    8(29(38)32(18-27(36)37)17
    -20-6-5-15-42-20)22-7-1-2
    -8-24(22)41-14-4-3-9-26(3
    4)35/h1-2,5-8,10-13,15-16
    ,28,31H,3-4,9,14,17-18H2,
    (H,30,33)(H,34,35)(H,36,3
    7)/t28-/m1/s1;
    VMCJXXUCJJAXMA-MUUNZHRXSA-N    		 OC(=O)CCCCOc1ccccc1[CH](N[S](=O)(=O)c2cc
    c3NC(=O)C=Cc3c2)C(=O)N(CC(O)=O)Cc4sccc4;
    OC(=O)CCCCOc1ccccc1[C@@H](N[S](=O)(=O)c
    2ccc3NC(=O)C=Cc3c2)C(=O)N(CC(O)=O)Cc4scc
    c4; c1ccc(c(c1)C(C(=O)N(Cc2cccs2)CC(=O)O
    )NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4)OCCCCC(
    =O)O; c1ccc(c(c1)[C@H](C(=O)N(Cc2cccs2)C
    C(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4)O
    CCCCC(=O)O; c3(S(NC(c1c(cccc1)OCCCCC(O)=
    O)C(N(Cc2cccs2)CC(O)=O)=O)(=O)=O)ccc4NC(
    =O)C=Cc4c3    		 5-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}pentanoic acid
    25455 JA8
    ZINC000012959084    		 1 C7 H5 Br N2 S InChI=1S/C7H5BrN2S/c8-4-1
    -2-6-5(3-4)10-7(9)11-6/h1
    -3H,(H2,9,10);
    ZPUJTWBWSOOMRP-UHFFFAOYSA-N    		 c1cc2c(cc1Br)nc(s2)N; Nc1sc2ccc(Br)cc2n1 5-bromanyl-1,3-benzothiazol-2-amine
    25456 JA9
    CHEMBL1086440
    DB12245
    ZINC000001444556    		 2 C14 H9 Cl3 N2 O S InChI=1S/C14H9Cl3N2OS/c1-
    21-14-18-9-5-8(16)12(6-10
    (9)19-14)20-11-4-2-3-7(15
    )13(11)17/h2-6H,1H3,(H,18
    ,19);
    NQPDXQQQCQDHHW-UHFFFAOYSA-N    		 CSc1[nH]c2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2n1;
    CSc1[nH]c2cc(c(cc2n1)Cl)Oc3cccc(c3Cl)Cl    		 6-[2,3-bis(chloranyl)phenoxy]-5-chloranyl-2-methylsulfanyl-1H-benzimidazole;
    Triclabendazole
    25457 JAA
    CHEMBL449572
    ZINC000004492883    		 27 C12 H18 O3 InChI=1S/C12H18O3/c1-2-3-
    4-5-10-9(8-12(14)15)6-7-1
    1(10)13/h3-4,9-10H,2,5-8H
    2,1H3,(H,14,15)/b4-3-/t9-
    ,10-/m1/s1;
    ZNJFBWYDHIGLCU-HWKXXFMVSA-N    		 CCC=CC[CH]1[CH](CCC1=O)CC(O)=O; CC/C=C\C
    [C@@H]1[C@H](CCC1=O)CC(=O)O; CC\C=C/C[C@
    @H]1[C@H](CCC1=O)CC(O)=O; CCC=CCC1C(CCC1
    =O)CC(=O)O; O=C1C(C(CC(=O)O)CC1)C\C=C/CC    		 {(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid
    25458 JAB
    ZINC000002565045    		 2 C4 H4 N2 O S InChI=1S/C4H4N2OS/c5-4(8)
    3-1-2-6-7-3/h1-2H,(H2,5,8
    );
    CEDRGDFENMZKCQ-UHFFFAOYSA-N    		 c1cnoc1C(=S)N; NC(=S)c1oncc1 1,2-oxazole-5-carbothioamide
    25459 JAC
    CHEMBL1649681
    ZINC000066113012    		 3 C18 H18 F3 N3 O2 InChI=1S/C18H18F3N3O2/c19
    -18(20,21)17-14-11-26-9-7
    -15(14)24(22-17)13-5-3-12
    (4-6-13)10-23-8-1-2-16(23
    )25/h3-6H,1-2,7-11H2;
    URIDIEFPWLZYEF-UHFFFAOYSA-N    		 O=C1N(CCC1)Cc4ccc(n2nc(c3c2CCOC3)C(F)(F)
    F)cc4; c1cc(ccc1CN2CCCC2=O)n3c4c(c(n3)C(
    F)(F)F)COCC4; FC(F)(F)c1nn(c2CCOCc12)c3c
    cc(CN4CCCC4=O)cc3    		 1-({4-[3-(TRIFLUOROMETHYL)-6,7-DIHYDROPYRANO[4,3-C]PYRAZOL-1(4H)-YL]PHENYL}METHYL)-2-PYRROLIDINONE
    25460 JAD
    CHEMBL3326454
    ZINC000146592897    		 1 C15 H16 Cl N3 O2 InChI=1S/C15H16ClN3O2/c1-
    8-10(4-3-9(7-17)12(8)16)1
    3-15(21-2)14-11(20)5-6-19
    (14)18-13/h3-4,11,14-15,2
    0H,5-6H2,1-2H3/t11-,14-,1
    5+/m0/s1;
    RJZJEPYCJHLWQR-TUKIKUTGSA-N    		 Cc1c(ccc(c1Cl)C#N)C2=NN3CCC(C3C2OC)O; Cc
    1c(ccc(c1Cl)C#N)C2=NN3CC[C@@H]([C@H]3[C@
    @H]2OC)O; N#Cc3ccc(C2=NN1CCC(O)C1C2OC)c(
    c3Cl)C; CO[CH]1[CH]2[CH](O)CCN2N=C1c3ccc
    (C#N)c(Cl)c3C; CO[C@H]1[C@@H]2[C@@H](O)C
    CN2N=C1c3ccc(C#N)c(Cl)c3C    		 2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile
    25461 JAE
    ZINC000000332484    		 2 C7 H6 N2 S InChI=1S/C7H6N2S/c8-5-1-2
    -6-7(3-5)10-4-9-6/h1-4H,8
    H2;
    FAYAYUOZWYJNBD-UHFFFAOYSA-N    		 c1cc2c(cc1N)scn2; Nc1ccc2ncsc2c1 1,3-benzothiazol-6-amine
    25462 JAF
    CHEMBL2440218
    ZINC000000193558    		 1 C15 H17 N O4 S InChI=1S/C15H17NO4S/c1-10
    -8-12(17)9-11(2)15(10)16-
    21(18,19)14-6-4-13(20-3)5
    -7-14/h4-9,16-17H,1-3H3;
    UXSFANIQULVRMS-UHFFFAOYSA-N    		 Cc1cc(cc(c1NS(=O)(=O)c2ccc(cc2)OC)C)O; C
    Oc1ccc(cc1)[S](=O)(=O)Nc2c(C)cc(O)cc2C;
    O=S(=O)(Nc1c(cc(O)cc1C)C)c2ccc(OC)cc2    		 N-(4-hydroxy-2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
    25463 JAG 1 C23 H20 F3 N O3 InChI=1S/C23H20F3NO3/c1-1
    4-21(22(28)19-4-2-3-5-20(
    19)27-14)15-6-8-16(9-7-15
    )29-17-10-12-18(13-11-17)
    30-23(24,25)26/h6-13,21H,
    2-5H2,1H3/t21-/m1/s1;
    VUKDUSVBXDIIJP-OAQYLSRUSA-N    		 CC1=NC2=C(CCCC2)C(=O)[CH]1c3ccc(Oc4ccc(O
    C(F)(F)F)cc4)cc3; CC1=NC2=C(CCCC2)C(=O)C
    1c3ccc(cc3)Oc4ccc(cc4)OC(F)(F)F; CC1=NC2
    =C(CCCC2)C(=O)[C@H]1c3ccc(Oc4ccc(OC(F)(F
    )F)cc4)cc3    		 2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-5,6,7,8-tetrahydro-3~{H}-quinolin-4-one
    25464 JAH
    ZINC000012370167    		 3 C12 H12 N2 InChI=1S/C12H12N2/c13-8-1
    0-6-7-12(14-9-10)11-4-2-1
    -3-5-11/h1-7,9H,8,13H2;
    YXWLMYSYKQXBQE-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccc(cn2)CN; NCc1ccc(nc1)c2cc
    ccc2    		 (6-phenylpyridin-3-yl)methanamine
    25465 JAI
    ZINC000033922584    		 1 C18 H29 N O4 InChI=1S/C18H29NO4/c1-4-6
    -7-8-14-13(9-10-15(14)20)
    11-16(21)19-17(18(22)23)1
    2(3)5-2/h6-7,12-14,17H,4-
    5,8-11H2,1-3H3,(H,19,21)(
    H,22,23)/b7-6-/t12-,13+,1
    4+,17-/m0/s1;
    IBZYPBGPOGJMBF-QRHMYKSGSA-N    		 O=C(NC(C(=O)O)C(C)CC)CC1CCC(=O)C1C\C=C/C
    C; CCC=CCC1C(CCC1=O)CC(=O)NC(C(C)CC)C(=O
    )O; CC\C=C/C[C@@H]1[C@H](CCC1=O)CC(=O)N[
    C@@H]([C@@H](C)CC)C(O)=O; CCC=CC[CH]1[CH
    ](CCC1=O)CC(=O)N[CH]([CH](C)CC)C(O)=O; C
    C/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)N[C@@H]
    ([C@@H](C)CC)C(=O)O    		 N-({(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetyl)-L-isoleucine
    25466 JAJ 1 C28 H27 N3 O9 S2 InChI=1S/C28H27N3O9S2/c32
    -24-12-9-18-15-20(10-11-2
    2(18)29-24)42(38,39)30-27
    (21-6-1-2-7-23(21)40-13-3
    -8-25(33)34)28(37)31(17-2
    6(35)36)16-19-5-4-14-41-1
    9/h1-2,4-7,9-12,14-15,27,
    30H,3,8,13,16-17H2,(H,29,
    32)(H,33,34)(H,35,36)/t27
    -/m1/s1;
    XMWFXIHFGQHVEA-HHHXNRCGSA-N    		 OC(=O)CCCOc1ccccc1[C@@H](N[S](=O)(=O)c2c
    cc3NC(=O)C=Cc3c2)C(=O)N(CC(O)=O)Cc4sccc4
    ; c1ccc(c(c1)C(C(=O)N(Cc2cccs2)CC(=O)O)N
    S(=O)(=O)c3ccc4c(c3)C=CC(=O)N4)OCCCC(=O)
    O; c1ccc(c(c1)[C@H](C(=O)N(Cc2cccs2)CC(=
    O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4)OCCC
    C(=O)O; N(C(c1c(cccc1)OCCCC(O)=O)C(N(Cc2
    cccs2)CC(O)=O)=O)S(c4cc3c(NC(=O)C=C3)cc4
    )(=O)=O; OC(=O)CCCOc1ccccc1[CH](N[S](=O)
    (=O)c2ccc3NC(=O)C=Cc3c2)C(=O)N(CC(O)=O)C
    c4sccc4    		 4-{2-[(1R)-2-{(carboxymethyl)[(thiophen-2-yl)methyl]amino}-2-oxo-1-{[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]amino}ethyl]phenoxy}butanoic acid
    25467 JAK
    CHEMBL2159141
    ZINC000095577907    		 5 C14 H17 N5 InChI=1S/C14H17N5/c1-9-18
    -12-8-17-14-11(4-7-16-14)
    13(12)19(9)10-2-5-15-6-3-
    10/h4,7-8,10,15H,2-3,5-6H
    2,1H3,(H,16,17);
    XTQACRIFOIASKV-UHFFFAOYSA-N    		 Cc1nc2cnc3c(c2n1C4CCNCC4)cc[nH]3; Cc1nc2
    cnc3[nH]ccc3c2n1C4CCNCC4; n4c1nccc1c2c(n
    c(n2C3CCNCC3)C)c4    		 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
    25468 JAL
    CHEMBL33845
    DB11396
    ZINC000000056435    		 2 C13 H10 Cl2 O2 InChI=1S/C13H10Cl2O2/c14-
    10-1-3-12(16)8(6-10)5-9-7
    -11(15)2-4-13(9)17/h1-4,6
    -7,16-17H,5H2;
    MDNWOSOZYLHTCG-UHFFFAOYSA-N    		 c1cc(c(cc1Cl)Cc2cc(ccc2O)Cl)O; Oc1ccc(Cl
    )cc1Cc2cc(Cl)ccc2O    		 4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]phenol;
    Dichlorophen
    25469 JAN
    CHEMBL289228
    DB04960
    ZINC000024809155    		 4 C27 H22 Cl2 N4 O InChI=1S/C27H22Cl2N4O/c1-
    32-16-31-15-25(32)27(30,1
    8-6-9-20(28)10-7-18)19-8-
    11-24-23(13-19)22(14-26(3
    4)33(24)2)17-4-3-5-21(29)
    12-17/h3-16H,30H2,1-2H3/t
    27-/m1/s1;
    PLHJCIYEEKOWNM-HHHXNRCGSA-N    		 Cn1cncc1C(c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC
    (=O)N4C)c5cccc(c5)Cl)N; Clc1cccc(c1)C=3c
    2cc(ccc2N(C(=O)C=3)C)C(N)(c4cncn4C)c5ccc
    (Cl)cc5; Cn1cncc1[C](N)(c2ccc(Cl)cc2)c3c
    cc4N(C)C(=O)C=C(c5cccc(Cl)c5)c4c3; Cn1cn
    cc1[C@@](N)(c2ccc(Cl)cc2)c3ccc4N(C)C(=O)
    C=C(c5cccc(Cl)c5)c4c3; Cn1cncc1[C@@](c2c
    cc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5ccc
    c(c5)Cl)N    		 6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE;
    R115777;
    TIPIFARNIB
    25470 JAO 2 C18 H38 O InChI=1S/C18H38O/c1-3-4-5
    -6-7-8-9-10-11-12-13-14-1
    5-16-18(2)17-19/h18-19H,3
    -17H2,1-2H3/t18-/m0/s1;
    DMNPDGLMNXDSPT-SFHVURJKSA-N    		 CCCCCCCCCCCCCCC[C@H](C)CO; CCCCCCCCCCCCC
    CC[CH](C)CO; CCCCCCCCCCCCCCCC(C)CO; OCC(
    CCCCCCCCCCCCCCC)C    		 (2S)-2-methylheptadecan-1-ol
    25471 JAP 4 C16 H21 F N8 InChI=1S/C16H21FN8/c1-10-
    8-18-11(2)15-19-13(21-25(
    10)15)4-5-14-20-16(22-23(
    14)3)24-7-6-12(17)9-24/h8
    ,12H,4-7,9H2,1-3H3;
    AAQDTTZBZQZYLT-UHFFFAOYSA-N    		 Cn1nc(nc1CCc1nc2c(C)ncc(C)n2n1)N1CC(F)CC
    1; Cn1nc(nc1CCc2nn3c(C)cnc(C)c3n2)N4CC[C
    H](F)C4; Cc1cnc(c2n1nc(n2)CCc3nc(nn3C)N4
    CCC(C4)F)C; Cn1nc(nc1CCc2nn3c(C)cnc(C)c3
    n2)N4CC[C@@H](F)C4; Cc1cnc(c2n1nc(n2)CCc
    3nc(nn3C)N4CC[C@H](C4)F)C    		 (4S)-2-(2-{3-[(3R)-3-fluoropyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine
    25472 JAQ 1 C27 H31 N7 S InChI=1S/C27H31N7S/c1-19-
    3-6-22(21-7-4-20(5-8-21)1
    0-12-34-15-13-33(2)14-16-
    34)17-23(19)30-27-31-24(1
    8-35-27)26-29-11-9-25(28)
    32-26/h3-9,11,17-18H,10,1
    2-16H2,1-2H3,(H,30,31)(H2
    ,28,29,32);
    YEHUGDAOBVLFAB-UHFFFAOYSA-N    		 CN1CCN(CC1)CCc2ccc(cc2)c3ccc(C)c(Nc4scc(
    n4)c5nccc(N)n5)c3; Cc1ccc(cc1Nc2nc(cs2)c
    3nccc(n3)N)c4ccc(cc4)CCN5CCN(CC5)C    		 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-1,3-thiazol-2-amine
    25473 JAR
    CHEMBL572517
    ZINC000044713305    		 2 C20 H25 N5 O InChI=1S/C20H25N5O/c1-13(
    2)25-19-16(9-21-25)20(26)
    23-18(22-19)17-12-24(10-1
    4(17)3)11-15-7-5-4-6-8-15
    /h4-9,13-14,17H,10-12H2,1
    -3H3,(H,22,23,26)/t14-,17
    -/m1/s1;
    PUGMRQMXTZPAIZ-RHSMWYFYSA-N    		 CC(C)n1ncc2C(=O)NC(=Nc12)[C@@H]3CN(C[C@H
    ]3C)Cc4ccccc4; C[C@@H]1C[N@@](C[C@H]1C2=
    Nc3c(cnn3C(C)C)C(=O)N2)Cc4ccccc4; CC(C)n
    1ncc2C(=O)NC(=Nc12)[CH]3CN(C[CH]3C)Cc4cc
    ccc4; O=C1NC(=Nc2c1cnn2C(C)C)C4C(C)CN(Cc
    3ccccc3)C4; CC1CN(CC1C2=Nc3c(cnn3C(C)C)C
    (=O)N2)Cc4ccccc4    		 6-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(1-methylethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
    25474 JAS
    DB03850
    ZINC000263621129    		 1 C44 H64 N4 O13 InChI=1S/C44H64N4O13/c1-2
    6-12-9-10-14-40-45-33(23-
    58-40)43-47-34(24-60-43)4
    4-46-32(22-59-44)42(57-8)
    29(4)36(53)19-30(50)18-31
    (51)20-41(54)61-39(26)21-
    38(56-7)27(2)15-16-35(52)
    28(3)37(55-6)13-11-17-48(
    5)25-49/h10-11,14,17,22-2
    4,26-31,37-39,42,49-51H,9
    ,12-13,15-16,18-21,25H2,1
    -8H3/b14-10+,17-11+/t26-,
    27+,28+,29+,30+,31+,37-,3
    8+,39+,42+/m1/s1;
    VMTDLKOWOZYTPX-RZKNNNBGSA-N    		 CC1CCC=Cc2nc(co2)-c3nc(co3)-c4nc(co4)C(C
    (C(=O)CC(CC(CC(=O)OC1CC(C(C)CCC(=O)C(C)C
    (CC=CN(C)CO)OC)OC)O)O)C)OC; C[C@@H]1CC\C
    =C\c2nc(co2)-c3nc(co3)-c4nc(co4)[C@H]([C
    @H](C(=O)C[C@H](C[C@@H](CC(=O)O[C@H]1C[C
    @@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C\C=
    C\N(C)CO)OC)OC)O)O)C)OC; CO[CH](CC=CN(C)
    CO)[CH](C)C(=O)CC[CH](C)[CH](C[CH]1OC(=O
    )C[CH](O)C[CH](O)CC(=O)[CH](C)[CH](OC)c2
    coc(n2)c3coc(n3)c4coc(C=CCC[CH]1C)n4)OC;
    O=C(C(C)C(OC)C\C=C\N(C)CO)CCC(C)C(OC)CC
    4OC(=O)CC(O)CC(O)CC(=O)C(C)C(OC)c1nc(oc1
    )c2nc(oc2)c3nc(oc3)C=CCCC4C; CO[C@H](C/C
    =C/N(C)CO)[C@@H](C)C(=O)CC[C@H](C)[C@H](
    C[C@@H]1OC(=O)C[C@@H](O)C[C@H](O)CC(=O)[
    C@H](C)[C@H](OC)c2coc(n2)c3coc(n3)c4coc(
    /C=C/CC[C@H]1C)n4)OC    		 JASPISAMIDE A
    25475 JAT
    ZINC000006535543    		 3 C8 H11 N O3 S InChI=1S/C8H11NO3S/c9-6-5
    -7-1-3-8(4-2-7)13(10,11)1
    2/h1-4H,5-6,9H2,(H,10,11,
    12);
    RYBFWJVHZIKGQJ-UHFFFAOYSA-N    		 NCCc1ccc(cc1)[S](O)(=O)=O; c1cc(ccc1CCN)
    S(=O)(=O)O    		 4-(2-azanylethyl)benzenesulfonic acid
    25476 JAU
    CHEMBL5076986    		 1 C28 H36 Cl2 N7 O P InChI=1S/C28H36Cl2N7OP/c1
    -35-14-16-36(17-15-35)21-
    10-12-37(13-11-21)25-9-8-
    20(18-22(25)29)32-28-31-1
    9-23(30)27(34-28)33-24-6-
    4-5-7-26(24)39(2,3)38/h4-
    9,18-19,21H,10-17H2,1-3H3
    ,(H2,31,32,33,34);
    YVGYDPFKZQBIRJ-UHFFFAOYSA-N    		 CN1CCN(CC1)C2CCN(CC2)c3ccc(cc3Cl)Nc4ncc(
    c(n4)Nc5ccccc5P(=O)(C)C)Cl; CN1CCN(CC1)C
    2CCN(CC2)c3ccc(Nc4ncc(Cl)c(Nc5ccccc5[P](
    C)(C)=O)n4)cc3Cl    		 5-chloranyl-N2-[3-chloranyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
    25477 JAV 1 C20 H17 F N2 O4 S InChI=1S/C20H17FN2O4S/c1-
    13-10-15(14-6-3-2-4-7-14)
    11-18(19(13)21)20(25)22-2
    3-28(26,27)17-9-5-8-16(24
    )12-17/h2-12,23-24H,1H3,(
    H,22,25);
    KVJFJJXCBRSCDY-UHFFFAOYSA-N    		 Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2cccc(c2)O
    )c3ccccc3; c1(cc(ccc1)O)S(NNC(c2cc(cc(C)
    c2F)c3ccccc3)=O)(=O)=O; Cc1cc(cc(C(=O)NN
    [S](=O)(=O)c2cccc(O)c2)c1F)c3ccccc3    		 4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide
    25478 JAW
    CHEMBL1435541
    ZINC000013816304    		 5 C9 H8 N2 O InChI=1S/C9H8N2O/c10-9(12
    )7-1-2-8-6(5-7)3-4-11-8/h
    1-5,11H,(H2,10,12);
    GQMYQEAXTITUAE-UHFFFAOYSA-N    		 NC(=O)c1ccc2[nH]ccc2c1; c1cc2c(cc[nH]2)c
    c1C(=O)N    		 1~{H}-indole-5-carboxamide
    25479 JAX 1 C12 H11 N O3 InChI=1S/C12H11NO3/c1-7(1
    1(14)12(15)16)9-6-13-10-5
    -3-2-4-8(9)10/h2-6,13-14H
    ,1H3,(H,15,16)/b11-7+;
    PPGRYTGRWGDNAP-YRNVUSSQSA-N    		 C/C(=C(/C(=O)O)\O)/c1c[nH]c2c1cccc2; C\C
    (=C(O)\C(O)=O)c1c[nH]c2ccccc12; CC(=C(C(
    =O)O)O)c1c[nH]c2c1cccc2; CC(=C(O)C(O)=O)
    c1c[nH]c2ccccc12    		 (E)-3-(1H-indol-3-yl)-2-oxidanyl-but-2-enoic acid
    25480 JAY
    CHEMBL4090695    		 1 C35 H33 F2 N5 O2 InChI=1S/C35H33F2N5O2/c36
    -28-13-5-1-9-24(28)32-38-
    30-15-7-3-11-26(30)34(43)
    41(32)22-21-40-19-17-23(1
    8-20-40)42-33(25-10-2-6-1
    4-29(25)37)39-31-16-8-4-1
    2-27(31)35(42)44/h1-16,23
    ,32-33,38-39H,17-22H2/t32
    -,33-/m1/s1;
    ZMXNWFRGUZJFLG-CZNDPXEESA-N    		 Fc1ccccc1[CH]2Nc3ccccc3C(=O)N2CCN4CCC(CC
    4)N5[CH](Nc6ccccc6C5=O)c7ccccc7F; c1ccc(
    c(c1)C2Nc3ccccc3C(=O)N2CCN4CCC(CC4)N5C(N
    c6ccccc6C5=O)c7ccccc7F)F; Fc1ccccc1[C@@H
    ]2Nc3ccccc3C(=O)N2CCN4CCC(CC4)N5[C@@H](N
    c6ccccc6C5=O)c7ccccc7F; c1ccc(c(c1)[C@@H
    ]2Nc3ccccc3C(=O)N2CCN4CCC(CC4)N5[C@@H](N
    c6ccccc6C5=O)c7ccccc7F)F    		 (2R)-2-(2-fluorophenyl)-3-[2-[4-[(2R)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one
    25481 JAZ 6 C7 H15 O9 P InChI=1S/C7H15O9P/c8-3-2(
    1-16-17(13,14)15)4(9)6(11
    )7(12)5(3)10/h2-12H,1H2,(
    H2,13,14,15)/t2-,3-,4-,5+
    ,6+,7-/m1/s1;
    UJSILGAUEGUBGA-NYLBLOMBSA-N    		 C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)
    O)OP(=O)(O)O; O[CH]1[CH](O)[CH](O)[CH](C
    O[P](O)(O)=O)[CH](O)[CH]1O; O[C@@H]1[C@@
    H](O)[C@H](O)[C@@H](CO[P](O)(O)=O)[C@@H]
    (O)[C@@H]1O; C(C1C(C(C(C(C1O)O)O)O)O)OP(
    =O)(O)O    		 6-PHOSPHOCYCLOPHELLITOL
    25482 JB0 6 C55 H74 O22 InChI=1S/C55H74O22/c1-21-
    14-28-16-32(59)47-49(45(2
    8)31(58)15-21)53(65)46-30
    (57)8-10-36(48(46)52(47)6
    4)73-42-18-34(61)55(27(7)
    71-42)77-44-20-38(51(63)2
    5(5)69-44)75-40-13-11-35(
    23(3)67-40)72-41-17-33(60
    )54(26(6)70-41)76-43-19-3
    7(50(62)24(4)68-43)74-39-
    12-9-29(56)22(2)66-39/h8,
    10,14-15,22-27,29,32-35,3
    7-44,50-51,54-63H,9,11-13
    ,16-20H2,1-7H3/t22-,23-,2
    4+,25+,26+,27+,29-,32+,33
    +,34+,35-,37-,38+,39-,40-
    ,41-,42-,43-,44-,50-,51+,
    54+,55+/m0/s1;
    YMSZNAXJMXNNPT-HUUHVTJASA-N    		 C[C@@H]1O[C@H](CC[C@@H]1O)O[C@H]2C[C@@H]
    (O[C@H](C)[C@@H]2O)O[C@H]3[C@H](O)C[C@@H
    ](O[C@@H]3C)O[C@H]4CC[C@@H](O[C@H]4C)O[C
    @@H]5C[C@@H](O[C@H](C)[C@H]5O)O[C@H]6[C@
    H](O)C[C@@H](O[C@@H]6C)Oc7ccc(O)c8C(=O)C
    9=C([C@H](O)Cc%10cc(C)cc(O)c9%10)C(=O)c7
    8; Cc1cc2c(c(c1)O)C3=C([C@@H](C2)O)C(=O)
    c4c(ccc(c4C3=O)O)O[C@H]5C[C@H]([C@@H]([C
    @H](O5)C)O[C@H]6C[C@H]([C@@H]([C@H](O6)C
    )O)O[C@H]7CC[C@@H]([C@@H](O7)C)O[C@H]8C[
    C@H]([C@@H]([C@H](O8)C)O[C@H]9C[C@@H]([C
    @H]([C@H](O9)C)O)O[C@H]1CC[C@@H]([C@@H](
    O1)C)O)O)O; C[CH]1O[CH](CC[CH]1O)O[CH]2C
    [CH](O[CH](C)[CH]2O)O[CH]3[CH](O)C[CH](O
    [CH]3C)O[CH]4CC[CH](O[CH]4C)O[CH]5C[CH](
    O[CH](C)[CH]5O)O[CH]6[CH](O)C[CH](O[CH]6
    C)Oc7ccc(O)c8C(=O)C9=C([CH](O)Cc%10cc(C)
    cc(O)c9%10)C(=O)c78; Cc1cc2c(c(c1)O)C3=C
    (C(C2)O)C(=O)c4c(ccc(c4C3=O)O)OC5CC(C(C(
    O5)C)OC6CC(C(C(O6)C)O)OC7CCC(C(O7)C)OC8C
    C(C(C(O8)C)OC9CC(C(C(O9)C)O)OC1CCC(C(O1)
    C)O)O)O    		 (6~{R})-3-methyl-8-[(2~{S},4~{R},5~{S},6~{R})-6-methyl-5-[(2~{S},4~{R},5~{R},6~{R})-6-methyl-4-[(2~{S},5~{S},6~{S})-6-methyl-5-[(2~{S},4~{R},5~{S},6~{R})-6-methyl-5-[(2~{S},4~{S},5~{S},6~{R})-6-methyl-4-[(2~{S},5~{S},6~{S})-6-methyl-5-oxidanyl-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-1,6,11-tris(oxidanyl)-5,6-dihydrobenzo[a]anthracene-7,12-dione
    25483 JB1
    CHEMBL454123
    ZINC000033965072    		 1 C28 H46 O3 InChI=1S/C28H46O3/c1-5-6-
    8-21(14-16-29)19(2)25-12-
    13-26-22(9-7-15-28(25,26)
    4)10-11-23-17-24(30)18-27
    (31)20(23)3/h10-11,19,21,
    24-27,29-31H,3,5-9,12-18H
    2,1-2,4H3/b22-10+,23-11-/
    t19-,21+,24-,25-,26+,27+,
    28-/m1/s1;
    MBUIFNPNESWHQQ-LGKYDQOKSA-N    		 CCCC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@H]2\C
    (CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@H](O)C
    3=C; OC3C(=C)/C(=C\C=C1/CCCC2(C)C(C(C)C(
    CCCC)CCO)CCC12)CC(O)C3; CCCC[C@@H](CCO)[
    C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\
    C=C/3\C[C@H](C[C@@H](C3=C)O)O)C; CCCC[CH
    ](CCO)[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC
    =C3C[CH](O)C[CH](O)C3=C; CCCCC(CCO)C(C)C
    1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C    		 (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3S)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
    25484 JB2
    ZINC000096095134    		 4 C16 H26 N6 O14 P2 InChI=1S/C16H26N6O14P2/c1
    -4-6(17)9(24)11(26)15(33-
    4)35-38(30,31)36-37(28,29
    )32-2-5-8(23)10(25)14(34-
    5)22-3-19-7-12(22)20-16(1
    8)21-13(7)27/h3-6,8-11,14
    -15,23-26H,2,17H2,1H3,(H,
    28,29)(H,30,31)(H3,18,20,
    21,27)/t4-,5-,6-,8-,9+,10
    -,11+,14-,15-/m1/s1;
    PMFIPWCEUCAMAY-YVXBHLEUSA-N    		 C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(
    =O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@
    H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)N; C[C
    H]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[
    CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)
    [CH](O)[CH](O)[CH]1N; C[C@H]1O[C@H](O[P]
    (O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O
    )[C@@H]2O)n3cnc4C(=O)NC(=Nc34)N)[C@@H](O
    )[C@@H](O)[C@@H]1N; CC1C(C(C(C(O1)OP(=O)
    (O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4
    =O)N)O)O)O)O)N; O=C4NC(=Nc1c4ncn1C2OC(C(
    O)C2O)COP(=O)(OP(=O)(OC3OC(C(N)C(O)C3O)C
    )O)O)N    		 GDP-perosamine
    25485 JB3
    ZINC000096095135    		 1 C18 H28 N6 O15 P2 InChI=1S/C18H28N6O15P2/c1
    -5-8(21-6(2)25)11(27)13(2
    9)17(36-5)38-41(33,34)39-
    40(31,32)35-3-7-10(26)12(
    28)16(37-7)24-4-20-9-14(2
    4)22-18(19)23-15(9)30/h4-
    5,7-8,10-13,16-17,26-29H,
    3H2,1-2H3,(H,21,25)(H,31,
    32)(H,33,34)(H3,19,22,23,
    30)/t5-,7-,8-,10-,11+,12-
    ,13+,16-,17-/m1/s1;
    QYYLCPNKZRMSFL-XEDXKBCUSA-N    		 C[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C
    @H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4C(=O)N
    C(=Nc34)N)[C@@H](O)[C@@H](O)[C@@H]1NC(C)
    =O; CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2
    C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)NC(
    =O)C; O=C4NC(=Nc1c4ncn1C2OC(C(O)C2O)COP(
    =O)(OP(=O)(OC3OC(C(NC(=O)C)C(O)C3O)C)O)O
    )N; C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1
    )OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H](
    [C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)NC
    (=O)C; C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O
    )OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)N
    C(=Nc34)N)[CH](O)[CH](O)[CH]1NC(C)=O    		 GDP-N-acetylperosamine
    25486 JB5
    CHEMBL3353658
    ZINC000000158699    		 2 C8 H7 N3 InChI=1S/C8H7N3/c9-6-1-2-
    7-8(5-6)11-4-3-10-7/h1-5H
    ,9H2;
    MSGRFBKVMUKEGZ-UHFFFAOYSA-N    		 c1cc2c(cc1N)nccn2; Nc1ccc2nccnc2c1 quinoxalin-6-amine
    25487 JB6 2 C24 H34 N10 O13 P2 S2 InChI=1S/C24H34N10O13P2S2
    /c25-19-13-21(29-6-27-19)
    33(8-31-13)23-17(38)15(36
    )11(46-23)1-2-42-48(40,50
    )43-3-10(35)4-44-49(41,51
    )45-5-12-16(37)18(39)24(4
    7-12)34-9-32-14-20(26)28-
    7-30-22(14)34/h6-12,15-18
    ,23-24,35-39H,1-5H2,(H,40
    ,50)(H,41,51)(H2,25,27,29
    )(H2,26,28,30)/t10-,11+,1
    2+,15+,16+,17+,18+,23+,24
    +,48+,49-/m0/s1;
    OABPMBSLNAAXBR-CZUYOEIMSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CCO[P@](=O)(OC[C@@H](CO[P@@](=O)(
    OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5n
    cnc6N)O)O)S)O)S)O)O)N; c1nc(c2c(n1)n(cn2
    )C3C(C(C(O3)CCOP(=O)(OCC(COP(=O)(OCC4C(C
    (C(O4)n5cnc6c5ncnc6N)O)O)S)O)S)O)O)N; Nc
    1ncnc2n(cnc12)[CH]3O[CH](CCO[P](S)(=O)OC
    [CH](O)CO[P](S)(=O)OC[CH]4O[CH]([CH](O)[
    CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O; Nc
    1ncnc2n(cnc12)[C@@H]3O[C@H](CCO[P@](S)(=
    O)OC[C@H](O)CO[P@@](S)(=O)OC[C@H]4O[C@H]
    ([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)[C@@H
    ](O)[C@H]3O
    25488 JB7
    CHEMBL3309678
    ZINC000098209039    		 1 C21 H28 Br N3 O8 InChI=1S/C21H28BrN3O8/c1-
    13(26)25(12-14-5-7-15(22)
    8-6-14)11-3-2-4-16(19(29)
    30)23-21(33)24-17(20(31)3
    2)9-10-18(27)28/h5-8,16-1
    7H,2-4,9-12H2,1H3,(H,27,2
    8)(H,29,30)(H,31,32)(H2,2
    3,24,33)/t16-,17-/m0/s1;
    ARLQMQGVVFXZCW-IRXDYDNUSA-N    		 CC(=O)N(CCCC[CH](NC(=O)N[CH](CCC(O)=O)C(
    O)=O)C(O)=O)Cc1ccc(Br)cc1; CC(=O)N(CCCC[
    C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=
    O)Cc1ccc(Br)cc1; Brc1ccc(cc1)CN(C(=O)C)C
    CCCC(C(=O)O)NC(=O)NC(C(=O)O)CCC(=O)O; CC
    (=O)N(CCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=
    O)O)Cc1ccc(cc1)Br; CC(=O)N(CCCC[C@@H](C(
    =O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)Cc1cc
    c(cc1)Br    		 N-({(1S)-5-[acetyl(4-bromobenzyl)amino]-1-carboxypentyl}carbamoyl)-L-glutamic acid;
    (S)-2-(3-((S)-5-(N-(4-bromobenzyl)acetamido)-1-carboxypentyl)ureido)pentanedioic acid
    25489 JB8
    CHEMBL4071778
    ZINC000169743962    		 2 C8 H8 B N O2 InChI=1S/C8H8BNO2/c11-9(1
    2)7-2-1-6-3-4-10-8(6)5-7/
    h1-5,10-12H;
    ZVMHOIWRCCZGPZ-UHFFFAOYSA-N    		 B(c1ccc2cc[nH]c2c1)(O)O; OB(O)c1ccc2cc[n
    H]c2c1    		 1~{H}-indol-6-ylboronic acid
    25490 JB9 2 C31 H45 N7 O11 InChI=1S/C31H45N7O11/c1-3
    -10-45-29-23(35-17(2)41)2
    5(43)27(22(15-40)48-29)49
    -30-26(44)28(24(42)21(14-
    39)47-30)46-16-20-13-38(3
    7-36-20)12-19-7-4-6-18(11
    -19)8-5-9-34-31(32)33/h3-
    8,11,13,21-30,39-40,42-44
    H,1,9-10,12,14-16H2,2H3,(
    H,35,41)(H4,32,33,34)/b8-
    5-/t21-,22-,23-,24+,25-,2
    6-,27-,28+,29-,30+/m1/s1;
    WAFWFCVAGPTDEW-ORJNFUHYSA-N    		 CC(=O)NC1C(C(C(OC1OCC=C)CO)OC2C(C(C(C(O2
    )CO)O)OCc3cn(nn3)Cc4cccc(c4)C=CCN=C(N)N)
    O)O; CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H
    ]2O[C@H](CO)[C@H](O)[C@H](OCc3cn(Cc4cccc
    (\C=C/CN=C(N)N)c4)nn3)[C@H]2O)[C@@H](CO)
    O[C@H]1OCC=C; CC(=O)N[C@@H]1[C@H]([C@@H]
    ([C@H](O[C@H]1OCC=C)CO)O[C@H]2[C@@H]([C@
    H]([C@H]([C@H](O2)CO)O)OCc3cn(nn3)Cc4ccc
    c(c4)/C=C\CN=C(N)N)O)O; CC(=O)N[CH]1[CH]
    (O)[CH](O[CH]2O[CH](CO)[CH](O)[CH](OCc3c
    n(Cc4cccc(C=CCN=C(N)N)c4)nn3)[CH]2O)[CH]
    (CO)O[CH]1OCC=C    		 ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-4-[[1-[[3-[(~{Z})-3-[bis(azanyl)methylideneamino]prop-1-enyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-2-prop-2-enoxy-oxan-3-yl]ethanamide;
    JB97
    25491 JBA
    CHEMBL4437188    		 1 C19 H22 N2 O6 S InChI=1S/C19H22N2O6S/c1-1
    9(17(22)20-24,28(2,25)26)
    11-16-12-21(18(23)27-16)1
    5-9-7-14(8-10-15)6-5-13-3
    -4-13/h7-10,13,16,24H,3-4
    ,11-12H2,1-2H3,(H,20,22)/
    t16-,19+/m0/s1;
    ZXMGACHEILAVEA-QFBILLFUSA-N    		 CC(CC1CN(C(=O)O1)c2ccc(cc2)C#CC3CC3)(C(=
    O)NO)S(=O)(=O)C; O=S(=O)(C)C(C)(CC3OC(N(
    c1ccc(cc1)C#CC2CC2)C3)=O)C(NO)=O; C[C@@]
    (C[C@H]1CN(C(=O)O1)c2ccc(cc2)C#CC3CC3)(C
    (=O)NO)S(=O)(=O)C; C[C@@](C[C@H]1CN(C(=O
    )O1)c2ccc(cc2)C#CC3CC3)(C(=O)NO)[S](C)(=
    O)=O; C[C](C[CH]1CN(C(=O)O1)c2ccc(cc2)C#
    CC3CC3)(C(=O)NO)[S](C)(=O)=O    		 (2R)-3-{(5S)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)propanamide
    25492 JBB
    ZINC000000124714    		 3 C12 H10 O2 S2 InChI=1S/C12H10O2S2/c13-1
    2(14)10-4-1-3-9(7-10)8-16
    -11-5-2-6-15-11/h1-7H,8H2
    ,(H,13,14);
    WSMPZJFCOIZVQR-UHFFFAOYSA-N    		 OC(=O)c1cccc(CSc2sccc2)c1; c1cc(cc(c1)C(
    =O)O)CSc2cccs2    		 3-(thiophen-2-ylsulfanylmethyl)benzoic acid
    25493 JBC
    CHEMBL425
    DB01250
    ZINC000003812865    		 2 C14 H10 N2 O6 InChI=1S/C14H10N2O6/c17-1
    1-3-1-7(5-9(11)13(19)20)1
    5-16-8-2-4-12(18)10(6-8)1
    4(21)22/h1-6,17-18H,(H,19
    ,20)(H,21,22)/b16-15+;
    QQBDLJCYGRGAKP-FOCLMDBBSA-N    		 OC(=O)c1cc(ccc1O)N=Nc2ccc(O)c(c2)C(O)=O;
    c1cc(c(cc1/N=N/c2ccc(c(c2)C(=O)O)O)C(=O
    )O)O; c1cc(c(cc1N=Nc2ccc(c(c2)C(=O)O)O)C
    (=O)O)O    		 5-[(E)-(3-carboxy-4-oxidanyl-phenyl)diazenyl]-2-oxidanyl-benzoic acid
    25494 JBD 2 C14 H14 Cl2 N6 O2 S InChI=1S/C14H14Cl2N6O2S/c
    1-17-12-11-13(20-14(16)19
    -12)22(7-18-11)6-8-5-9(15
    )3-4-10(8)21-25(2,23)24/h
    3-5,7,21H,6H2,1-2H3,(H,17
    ,19,20);
    VFTMKZXKNIRBJR-UHFFFAOYSA-N    		 CNc1c2c(nc(n1)Cl)n(cn2)Cc3cc(ccc3NS(=O)(
    =O)C)Cl; CNc1nc(Cl)nc2n(Cc3cc(Cl)ccc3N[S
    ](C)(=O)=O)cnc12    		 ~{N}-[4-chloranyl-2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide
    25495 JBE
    ZINC000019596908    		 1 C5 H5 N3 O2 InChI=1S/C5H5N3O2/c6-5-4(
    8(9)10)2-1-3-7-5/h1-3H,(H
    2,6,7);
    BPYHGTCRXDWOIQ-UHFFFAOYSA-N    		 Nc1ncccc1[N+]([O-])=O; c1cc(c(nc1)N)[N+]
    (=O)[O-]    		 3-nitropyridin-2-amine
    25496 JBF
    CHEMBL256997
    DB05016
    ZINC000013831791    		 6 C15 H9 F N2 O3 InChI=1S/C15H9FN2O3/c16-1
    2-7-2-1-6-11(12)14-17-13(
    18-21-14)9-4-3-5-10(8-9)1
    5(19)20/h1-8H,(H,19,20);
    OOUGLTULBSNHNF-UHFFFAOYSA-N    		 c1ccc(c(c1)c2nc(no2)c3cccc(c3)C(=O)O)F;
    OC(=O)c1cccc(c1)c2noc(n2)c3ccccc3F    		 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
    25497 JBG 2 C23 H27 Cl2 N3 O5 InChI=1S/C23H27Cl2N3O5/c1
    -27-7-9-28(10-8-27)11-12-
    33-21-17(24)14-16(20(29)1
    9(21)25)22(30)26-18(23(31
    )32)13-15-5-3-2-4-6-15/h2
    -6,14,18,29H,7-13H2,1H3,(
    H,26,30)(H,31,32)/t18-/m0
    /s1;
    XEBIFCYTYHBFTB-SFHVURJKSA-N    		 CN1CCN(CCOc2c(Cl)cc(C(=O)N[C@@H](Cc3cccc
    c3)C(O)=O)c(O)c2Cl)CC1; C1CN(CCN1C)CCOc3
    c(cc(C(=O)NC(Cc2ccccc2)C(O)=O)c(O)c3Cl)C
    l; CN1CCN(CC1)CCOc2c(cc(c(c2Cl)O)C(=O)NC
    (Cc3ccccc3)C(=O)O)Cl; CN1CCN(CC1)CCOc2c(
    cc(c(c2Cl)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)
    O)Cl; CN1CCN(CCOc2c(Cl)cc(C(=O)N[CH](Cc3
    ccccc3)C(O)=O)c(O)c2Cl)CC1    		 N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-L-phenylalanine
    25498 JBH 2 C8 H8 N2 O InChI=1S/C8H8N2O/c11-8-6-
    3-1-2-4-7(6)9-5-10-8/h1-5
    ,8,11H,(H,9,10)/t8-/m1/s1;
    RFXUVQZRJWPTLS-MRVPVSSYSA-N    		 O[C@H]1NC=Nc2ccccc12; O[CH]1NC=Nc2ccccc1
    2; c1ccc2c(c1)C(NC=N2)O    		 3,4-dihydroquinazolin-4-ol
    25499 JBI
    CHEMBL1946325
    ZINC000035997549    		 1 C23 H23 F N6 O InChI=1S/C23H23FN6O/c1-31
    -17-12-10-15(11-13-17)26-
    22-25-14-20-21(29-22)30(1
    6-6-2-3-7-16)23(28-20)27-
    19-9-5-4-8-18(19)24/h4-5,
    8-14,16H,2-3,6-7H2,1H3,(H
    ,27,28)(H,25,26,29);
    IMFVPVKPQOQCBY-UHFFFAOYSA-N    		 COc1ccc(cc1)Nc2ncc3c(n2)n(c(n3)Nc4ccccc4
    F)C5CCCC5; COc1ccc(Nc2ncc3nc(Nc4ccccc4F)
    n(C5CCCC5)c3n2)cc1; Fc1ccccc1Nc3nc2cnc(n
    c2n3C4CCCC4)Nc5ccc(OC)cc5    		 9-cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine
    25500 JBJ 17 C29 H26 F N5 O3 S InChI=1S/C29H26FN5O3S/c30
    -21-5-8-25(36)24(16-21)26
    (27(37)33-29-32-11-14-39-
    29)35-17-20-2-1-19(15-23(
    20)28(35)38)18-3-6-22(7-4
    -18)34-12-9-31-10-13-34/h
    1-8,11,14-16,26,31,36H,9-
    10,12-13,17H2,(H,32,33,37
    )/t26-/m1/s1;
    VHQVOTINPRYDAO-AREMUKBSSA-N    		 Oc1ccc(F)cc1[CH](N2Cc3ccc(cc3C2=O)c4ccc(
    cc4)N5CCNCC5)C(=O)Nc6sccn6; C(C(N4C(c1c(
    ccc(c1)c3ccc(N2CCNCC2)cc3)C4)=O)c5c(ccc(
    c5)F)O)(Nc6nccs6)=O; c1cc(ccc1c2ccc3c(c2
    )C(=O)N(C3)C(c4cc(ccc4O)F)C(=O)Nc5nccs5)
    N6CCNCC6; c1cc(ccc1c2ccc3c(c2)C(=O)N(C3)
    [C@H](c4cc(ccc4O)F)C(=O)Nc5nccs5)N6CCNCC
    6; Oc1ccc(F)cc1[C@@H](N2Cc3ccc(cc3C2=O)c
    4ccc(cc4)N5CCNCC5)C(=O)Nc6sccn6    		 (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide
    25501 JBK
    ZINC000004272219    		 2 C6 H6 N2 O3 InChI=1S/C6H6N2O3/c7-6-4(
    8(10)11)2-1-3-5(6)9/h1-3,
    9H,7H2;
    KUCWUAFNGCMZDB-UHFFFAOYSA-N    		 Nc1c(O)cccc1[N+]([O-])=O; c1cc(c(c(c1)O)
    N)[N+](=O)[O-]    		 2-azanyl-3-nitro-phenol
    25502 JBL
    CHEMBL550348
    DB01609
    ZINC000001481815    		 1 C21 H15 N3 O4 InChI=1S/C21H15N3O4/c25-1
    7-7-3-1-5-15(17)19-22-20(
    16-6-2-4-8-18(16)26)24(23
    -19)14-11-9-13(10-12-14)2
    1(27)28/h1-12,25-26H,(H,2
    7,28);
    BOFQWVMAQOTZIW-UHFFFAOYSA-N    		 c1ccc(c(c1)c2nc(n(n2)c3ccc(cc3)C(=O)O)c4
    ccccc4O)O; OC(=O)c1ccc(cc1)n2nc(nc2c3ccc
    cc3O)c4ccccc4O    		 4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid
    25503 JBN
    ZINC000002565041    		 2 C4 H4 N2 O2 InChI=1S/C4H4N2O2/c5-4(7)
    3-1-2-6-8-3/h1-2H,(H2,5,7
    );
    DSIBSRXKQRYPJP-UHFFFAOYSA-N    		 c1cnoc1C(=O)N; NC(=O)c1oncc1 1,2-oxazole-5-carboxamide
    25504 JBO
    CHEMBL1617398
    DB11518
    ZINC000000001467    		 2 C14 H11 F3 N2 O2 InChI=1S/C14H11F3N2O2/c1-
    8-10(14(15,16)17)5-2-6-11
    (8)19-12-9(13(20)21)4-3-7
    -18-12/h2-7H,1H3,(H,18,19
    )(H,20,21);
    NOOCSNJCXJYGPE-UHFFFAOYSA-N    		 Cc1c(cccc1Nc2c(cccn2)C(=O)O)C(F)(F)F; Cc
    1c(Nc2ncccc2C(O)=O)cccc1C(F)(F)F    		 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylic acid
    25505 JBQ 3 C8 H7 F N2 O InChI=1S/C8H7FN2O/c9-5-2-
    1-3-6-7(5)8(12)11-4-10-6/
    h1-4,8,12H,(H,10,11)/t8-/
    m0/s1;
    VBPXEKJPOHSJCA-QMMMGPOBSA-N    		 c1cc2c(c(c1)F)C(NC=N2)O; O[CH]1NC=Nc2ccc
    c(F)c12; O[C@@H]1NC=Nc2cccc(F)c12    		 5-fluoranyl-3,4-dihydroquinazolin-4-ol
    25506 JBR
    CHEMBL177880
    ZINC000000538152    		 14 C23 H16 O6 InChI=1S/C23H16O6/c24-20-
    16(14-7-3-1-5-12(14)9-18(
    20)22(26)27)11-17-15-8-4-
    2-6-13(15)10-19(21(17)25)
    23(28)29/h1-10,24-25H,11H
    2,(H,26,27)(H,28,29);
    WLJNZVDCPSBLRP-UHFFFAOYSA-N    		 OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C
    (O)=O)c1O; c1ccc2c(c1)cc(c(c2Cc3c4ccccc4
    cc(c3O)C(=O)O)O)C(=O)O    		 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid
    25507 JBS
    CHEMBL4749664    		 1 C30 H32 N6 O3 InChI=1S/C30H32N6O3/c1-19
    -27(20(2)39-34-19)22-10-1
    1-25-24(14-22)29(36-12-13
    -38-17-26(36)21-8-6-5-7-9
    -21)33-28(32-25)23-15-31-
    35(16-23)18-30(3,4)37/h5-
    11,14-16,26,37H,12-13,17-
    18H2,1-4H3/t26-/m1/s1;
    SUFVOUWYHJXPBW-AREMUKBSSA-N    		 Cc1c(c(on1)C)c2ccc3c(c2)c(nc(n3)c4cnn(c4
    )CC(C)(C)O)N5CCOCC5c6ccccc6; Cc1c(c(on1)
    C)c2ccc3c(c2)c(nc(n3)c4cnn(c4)CC(C)(C)O)
    N5CCOC[C@@H]5c6ccccc6; Cc1onc(C)c1c2ccc3
    nc(nc(N4CCOC[C@@H]4c5ccccc5)c3c2)c6cnn(C
    C(C)(C)O)c6; Cc1onc(C)c1c2ccc3nc(nc(N4CC
    OC[CH]4c5ccccc5)c3c2)c6cnn(CC(C)(C)O)c6;
    O5CCN(c3c1cc(ccc1nc(c2cnn(CC(C)(O)C)c2)
    n3)c4c(C)onc4C)C(C5)c6ccccc6    		 1-(4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-2-yl}-1H-pyrazol-1-yl)-2-methylpropan-2-ol
    25508 JBT 1 C39 H64 N13 O30 P5 S InChI=1S/C39H64N13O30P5S/
    c1-15-20(24(55)26(57)37(7
    6-15)80-87(71,72)82-85(67
    ,68)73-9-17-23(54)25(56)3
    5(77-17)52-14-47-22-32(52
    )49-38(41)50-33(22)60)48-
    16(2)88-8-7-42-19(53)5-6-
    43-34(61)29(59)39(3,4)11-
    75-86(69,70)81-84(65,66)7
    4-10-18-28(79-83(62,63)64
    )27(58)36(78-18)51-13-46-
    21-30(40)44-12-45-31(21)5
    1/h12-18,20,23-29,35-37,4
    8,54-59H,5-11H2,1-4H3,(H,
    42,53)(H,43,61)(H,65,66)(
    H,67,68)(H,69,70)(H,71,72
    )(H2,40,44,45)(H2,62,63,6
    4)(H3,41,49,50,60)/t15-,1
    6+,17-,18-,20-,23-,24+,25
    -,26+,27-,28-,29+,35-,36-
    ,37-/m1/s1;
    JPJUGYYIHUXJRE-NLBQBQJKSA-N    		 C[CH](N[CH]1[CH](C)O[CH](O[P](O)(=O)O[P]
    (O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4
    C(=O)NC(=Nc34)N)[CH](O)[CH]1O)SCCNC(=O)C
    CNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)
    (=O)OC[CH]5O[CH]([CH](O)[CH]5O[P](O)(O)=
    O)n6cnc7c(N)ncnc67; CC1C(C(C(C(O1)OP(=O)
    (O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4
    =O)N)O)O)O)O)NC(C)SCCNC(=O)CCNC(=O)C(C(C
    )(C)COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cn
    c7c6ncnc7N)O)OP(=O)(O)O)O; O=P(O)(O)OC1C
    (O)C(OC1COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)
    C(=O)NCCC(=O)NCCSC(NC5C(OC(OP(=O)(OP(=O)
    (OCC4OC(n2c3N=C(N)NC(=O)c3nc2)C(O)C4O)O)
    O)C(O)C5O)C)C)n6c7ncnc(N)c7nc6; C[C@@H]1
    [C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP
    (=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3
    cnc4c3N=C(NC4=O)N)O)O)O)O)N[C@H](C)SCCNC
    (=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=
    O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cn
    c7c6ncnc7N)O)OP(=O)(O)O)O; C[C@@H](N[C@@
    H]1[C@@H](C)O[C@H](O[P](O)(=O)O[P](O)(=O
    )OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4C
    (=O)NC(=Nc34)N)[C@@H](O)[C@H]1O)SCCNC(=O
    )CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(=O)O[P]
    (O)(=O)OC[C@H]5O[C@H]([C@H](O)[C@@H]5O[P
    ](O)(O)=O)n6cnc7c(N)ncnc67    		 GDP-N-acetylperosamine-coenzyme A
    25509 JBU
    ZINC000001532569    		 8 C6 H10 O6 InChI=1S/C6H10O6/c7-2-5(1
    0)3(8)1-4(9)6(11)12/h3,5,
    7-8,10H,1-2H2,(H,11,12)/t
    3-,5-/m1/s1;
    WPAMZTWLKIDIOP-NQXXGFSBSA-N    		 C([C@H]([C@@H](CO)O)O)C(=O)C(=O)O; OC[CH
    ](O)[CH](O)CC(=O)C(O)=O; OC[C@@H](O)[C@H
    ](O)CC(=O)C(O)=O; C(C(C(CO)O)O)C(=O)C(=O
    )O    		 (4R,5R)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid
    25510 JBV
    CHEMBL3899676    		 4 C17 H22 F2 N8 InChI=1S/C17H22F2N8/c1-10
    -8-20-11(2)16-21-13(23-27
    (10)16)4-5-14-22-17(24-25
    (14)3)26-7-6-12(9-26)15(1
    8)19/h8,12,15H,4-7,9H2,1-
    3H3;
    CWMLTXRCWAKBSJ-UHFFFAOYSA-N    		 Cn1nc(nc1CCc2nn3c(C)cnc(C)c3n2)N4CC[CH](
    C4)C(F)F; Cn1nc(nc1CCc1nc2c(C)ncc(C)n2n1
    )N1CC(CC1)C(F)F; Cn1nc(nc1CCc2nn3c(C)cnc
    (C)c3n2)N4CC[C@@H](C4)C(F)F; Cc1cnc(c2n1
    nc(n2)CCc3nc(nn3C)N4CCC(C4)C(F)F)C; Cc1c
    nc(c2n1nc(n2)CCc3nc(nn3C)N4CC[C@@H](C4)C
    (F)F)C    		 (4S)-2-(2-{3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-1-methyl-1H-1,2,4-triazol-5-yl}ethyl)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine
    25511 JBW
    CHEMBL2012958
    ZINC000068247513    		 2 C17 H14 N4 O S InChI=1S/C17H14N4OS/c1-10
    -19-16-11(9-18)3-2-4-13(1
    6)21(10)15-8-7-14(23-15)1
    7(22)20-12-5-6-12/h2-4,7-
    8,12H,5-6H2,1H3,(H,20,22);
    XRXYHTFKWSMTFI-UHFFFAOYSA-N    		 N#Cc4c3nc(n(c1sc(cc1)C(=O)NC2CC2)c3ccc4)
    C; Cc1nc2c(cccc2n1c3sc(cc3)C(=O)NC4CC4)C
    #N; Cc1nc2c(cccc2n1c3ccc(s3)C(=O)NC4CC4)
    C#N    		 5-(4-cyano-2-methyl-1H-benzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide
    25512 JBY 0 C14 H15 N3 O4 InChI=1S/C14H15N3O4/c1-8(
    14(20)21)17-12(7-15)16-11
    (13(17)19)6-9-2-4-10(18)5
    -3-9/h2-6,8,18H,7,15H2,1H
    3,(H,20,21)/b11-6-/t8-/m0
    /s1;
    KZUMQCZIDYKIEK-OITNDJBGSA-N    		 C[C@@H](C(=O)O)N1C(=N/C(=C\c2ccc(cc2)O)/
    C1=O)CN; C[CH](N1C(=NC(=Cc2ccc(O)cc2)C1=
    O)CN)C(O)=O; C[C@H](N1C(=NC(=C\c2ccc(O)c
    c2)/C1=O)CN)C(O)=O; C1(=NC(\C(=O)N1C(C(=
    O)O)C)=C/c2ccc(O)cc2)CN; CC(C(=O)O)N1C(=
    NC(=Cc2ccc(cc2)O)C1=O)CN    		 (2S)-2-{(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}propanoic acid;
    Gly-Ala-Try Chromophore
    25513 JBZ
    ZINC000000340142    		 2 C9 H7 N O3 S InChI=1S/C9H7NO3S/c1-13-5
    -2-3-6-7(4-5)14-8(10-6)9(
    11)12/h2-4H,1H3,(H,11,12);
    JDKMYJZEGZZJOH-UHFFFAOYSA-N    		 COc1ccc2nc(sc2c1)C(O)=O; COc1ccc2c(c1)sc
    (n2)C(=O)O    		 6-methoxy-1,3-benzothiazole-2-carboxylic acid
    25514 JC1
    CHEMBL454124
    ZINC000039714764    		 1 C28 H46 O3 InChI=1S/C28H46O3/c1-5-6-
    8-21(14-16-29)19(2)25-12-
    13-26-22(9-7-15-28(25,26)
    4)10-11-23-17-24(30)18-27
    (31)20(23)3/h10-11,19,21,
    24-27,29-31H,3,5-9,12-18H
    2,1-2,4H3/b22-10+,23-11-/
    t19-,21-,24+,25+,26-,27-,
    28+/m0/s1;
    MBUIFNPNESWHQQ-LZGZZAKVSA-N    		 OC3C(=C)/C(=C\C=C1/CCCC2(C)C(C(C)C(CCCC)
    CCO)CCC12)CC(O)C3; CCCC[C@@H](CCO)[C@H](
    C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\
    C[C@H](C[C@@H](C3=C)O)O)C; CCCC[C@@H](CC
    O)[C@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C
    \C=C3\C[C@@H](O)C[C@H](O)C3=C; CCCC[CH](
    CCO)[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C
    3C[CH](O)C[CH](O)C3=C; CCCCC(CCO)C(C)C1C
    CC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C    		 (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S,3S)-3-(2-hydroxyethyl)heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
    25515 JC2
    CHEMBL4062580    		 1 C19 H31 N4 O7 P InChI=1S/C19H31N4O7P/c1-1
    3(2)10-16(17(24)22-15(8-9
    -20)18(25)26)23-31(28,29)
    12-21-19(27)30-11-14-6-4-
    3-5-7-14/h3-7,13,15-16H,8
    -12,20H2,1-2H3,(H,21,27)(
    H,22,24)(H,25,26)(H2,23,2
    8,29)/t15-,16-/m0/s1;
    MUFQKMHBCUDSGW-HOTGVXAUSA-N    		 CC(C)C[C@H](N[P](O)(=O)CNC(=O)OCc1ccccc1
    )C(=O)N[C@@H](CCN)C(O)=O; CC(C)CC(C(=O)N
    C(CCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O;
    CC(C)C[C@@H](C(=O)N[C@@H](CCN)C(=O)O)NP
    (=O)(CNC(=O)OCc1ccccc1)O; CC(C)C[CH](N[P
    ](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](CCN
    )C(O)=O    		 (2~{S})-4-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]butanoic acid
    25516 JC3
    CHEMBL4846718    		 6 C20 H26 N4 O InChI=1S/C20H26N4O/c1-23-
    12-15(14-7-4-3-5-8-14)11-
    16(13-23)21-20-22-18-10-6
    -9-17(18)19(25)24(20)2/h3
    -5,7-8,15-16H,6,9-13H2,1-
    2H3,(H,21,22)/t15-,16+/m0
    /s1;
    PUACXQJMNIDQMB-JKSUJKDBSA-N    		 CN1C[CH](C[CH](C1)c2ccccc2)NC3=NC4=C(CCC
    4)C(=O)N3C; CN1C[C@H](C[C@H](C1)NC2=NC3=
    C(CCC3)C(=O)N2C)c4ccccc4; CN1CC(CC(C1)NC
    2=NC3=C(CCC3)C(=O)N2C)c4ccccc4; CN1C[C@@
    H](C[C@@H](C1)c2ccccc2)NC3=NC4=C(CCC4)C(
    =O)N3C    		 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
    25517 JC4
    CHEMBL4546828    		 2 C19 H19 N O10 InChI=1S/C19H19NO10/c21-8
    -14-15(22)16(23)17(24)19(
    30-14)29-13-4-2-1-3-12(13
    )9-5-10(18(25)26)7-11(6-9
    )20(27)28/h1-7,14-17,19,2
    1-24H,8H2,(H,25,26)/t14-,
    15+,16+,17-,19-/m1/s1;
    GCARVRRYRBFOAI-DIKXUDHVSA-N    		 c1ccc(c(c1)c2cc(cc(c2)[N+](=O)[O-])C(=O)
    O)OC3C(C(C(C(O3)CO)O)O)O; c3cc(c1cc([N+]
    (=O)[O-])cc(C(O)=O)c1)c(OC2OC(CO)C(C(C2O
    )O)O)cc3; OC[C@H]1O[C@@H](Oc2ccccc2c3cc(
    cc(c3)[N+]([O-])=O)C(O)=O)[C@H](O)[C@@H]
    (O)[C@H]1O; OC[CH]1O[CH](Oc2ccccc2c3cc(c
    c(c3)[N+]([O-])=O)C(O)=O)[CH](O)[CH](O)[
    CH]1O; c1ccc(c(c1)c2cc(cc(c2)[N+](=O)[O-
    ])C(=O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H]
    (O3)CO)O)O)O    		 2'-(beta-D-galactopyranosyloxy)-5-nitro[1,1'-biphenyl]-3-carboxylic acid
    25518 JC5
    CHEMBL4552020    		 1 C20 H27 N3 O2 InChI=1S/C20H27N3O2/c1-24
    -20-18(12-22)9-15(11-21)1
    0-19(20)25-8-4-7-23-13-16
    -5-2-3-6-17(16)14-23/h2-3
    ,5-6,9-10H,4,7-8,11-14,21
    -22H2,1H3;
    XQQZNYFJATXWON-UHFFFAOYSA-N    		 COc1c(CN)cc(CN)cc1OCCCN2Cc3ccccc3C2; COc
    1c(cc(cc1OCCCN2Cc3ccccc3C2)CN)CN    		 [3-(aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl)propoxy]-4-methoxy-phenyl]methanamine
    25519 JC6
    DB12434    		 1 C32 H50 O13 InChI=1S/C32H50O13/c1-15-
    11-31-9-5-18-29(2,7-4-8-3
    0(18,3)28(40)41)19(31)6-1
    0-32(15,14-31)45-27-25(23
    (38)21(36)17(13-34)43-27)
    44-26-24(39)22(37)20(35)1
    6(12-33)42-26/h16-27,33-3
    9H,1,4-14H2,2-3H3,(H,40,4
    1)/t16-,17-,18+,19+,20-,2
    1-,22+,23+,24-,25-,26+,27
    +,29-,30-,31-,32+/m1/s1;
    OMHUCGDTACNQEX-OSHKXICASA-N    		 C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[
    C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@
    H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([
    C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O; CC12C
    CCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(
    O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O
    )O; C[C]12CCC[C](C)([CH]1CC[C]34CC(=C)[C
    ](CC[CH]23)(C4)O[CH]5O[CH](CO)[CH](O)[CH
    ](O)[CH]5O[CH]6O[CH](CO)[CH](O)[CH](O)[C
    H]6O)C(O)=O; C[C@@]12CCC[C@](C)([C@H]1CC
    [C@]34CC(=C)[C@](CC[C@@H]23)(C4)O[C@@H]5
    O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]
    6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)
    =O    		 Steviolbioside
    25520 JC7
    CHEMBL4546725    		 1 C22 H25 F3 N2 O8 S InChI=1S/C22H25F3N2O8S/c1
    -11(29)26-18-20(31)19(30)
    16(10-28)35-21(18)34-15-8
    -4-7-14(22(23,24)25)17(15
    )12-5-3-6-13(9-12)27-36(2
    ,32)33/h3-9,16,18-21,27-2
    8,30-31H,10H2,1-2H3,(H,26
    ,29)/t16-,18-,19+,20-,21-
    /m1/s1;
    RPOJFLNPFLSKOB-QNDFHXLGSA-N    		 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O
    c2cccc(c2c3cccc(c3)NS(=O)(=O)C)C(F)(F)F)
    CO)O)O; CC(=O)NC1C(C(C(OC1Oc2cccc(c2c3cc
    cc(c3)NS(=O)(=O)C)C(F)(F)F)CO)O)O; c3ccc
    (OC1C(NC(C)=O)C(O)C(C(CO)O1)O)c(c2cc(NS(
    =O)(=O)C)ccc2)c3C(F)(F)F; CC(=O)N[C@@H]1
    [C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc2cc
    cc(c2c3cccc(N[S](C)(=O)=O)c3)C(F)(F)F; C
    C(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O
    c2cccc(c2c3cccc(N[S](C)(=O)=O)c3)C(F)(F)
    F    		 N-[2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}-6'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]methanesulfonamide
    25521 JC8 20 C17 H17 F N4 O InChI=1S/C17H17FN4O/c18-1
    6-13(14-3-1-9(7-20-14)17(
    19)23)5-10(8-21-16)12-6-1
    1-2-4-15(12)22-11/h1,3,5,
    7-8,11-12,15,22H,2,4,6H2,
    (H2,19,23)/t11-,12+,15+/m
    0/s1;
    OTLVFRDBKUDQLP-YWPYICTPSA-N    		 c1cc(ncc1C(=O)N)c2cc(cnc2F)C3CC4CCC3N4;
    NC(=O)c1ccc(nc1)c2cc(cnc2F)[C@H]3C[C@@H]
    4CC[C@H]3N4; NC(=O)c1ccc(nc1)c2cc(cnc2F)
    [CH]3C[CH]4CC[CH]3N4; c1cc(ncc1C(=O)N)c2
    cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4    		 6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide
    25522 JC9
    CHEMBL395091
    DB11823
    ZINC000035999642    		 1 C13 H16 Cl N O InChI=1S/C13H16ClNO/c1-15
    -13(9-5-4-8-12(13)16)10-6
    -2-3-7-11(10)14/h2-3,6-7,
    15H,4-5,8-9H2,1H3/t13-/m0
    /s1;
    YQEZLKZALYSWHR-ZDUSSCGKSA-N    		 CNC1(CCCCC1=O)c2ccccc2Cl; CN[C]1(CCCCC1=
    O)c2ccccc2Cl; CN[C@@]1(CCCCC1=O)c2ccccc2
    Cl    		 (2~{S})-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;
    Esketamine
    25523 JCA 2 C27 H30 N8 O S InChI=1S/C27H30N8OS/c1-18
    -3-8-21(15-22(18)31-27-32
    -23(17-37-27)25-29-10-9-2
    4(28)33-25)30-26(36)20-6-
    4-19(5-7-20)16-35-13-11-3
    4(2)12-14-35/h3-10,15,17H
    ,11-14,16H2,1-2H3,(H,30,3
    6)(H,31,32)(H2,28,29,33);
    SDIGAJDSJRTLLI-UHFFFAOYSA-N    		 Cc1ccc(cc1Nc2nc(cs2)c3nccc(n3)N)NC(=O)c4
    ccc(cc4)CN5CCN(CC5)C; CN1CCN(CC1)Cc2ccc(
    cc2)C(=O)Nc3ccc(C)c(Nc4scc(n4)c5nccc(N)n
    5)c3    		 N-[3-[[4-(4-azanylpyrimidin-2-yl)-1,3-thiazol-2-yl]amino]-4-methyl-phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
    25524 JCB
    CHEMBL1084600
    ZINC000002573385    		 0 C15 H13 N O2 S InChI=1S/C15H13NO2S/c1-12
    -6-8-14(9-7-12)19(17,18)1
    6-11-10-13-4-2-3-5-15(13)
    16/h2-11H,1H3;
    JNRRPYFLDADLJW-UHFFFAOYSA-N    		 Cc1ccc(cc1)[S](=O)(=O)n2ccc3ccccc23; O=S
    (=O)(c1ccc(cc1)C)n3c2ccccc2cc3; Cc1ccc(c
    c1)S(=O)(=O)n2ccc3c2cccc3    		 N-(P-TOLUENESULFONYL)-INDOLE
    25525 JCD
    CHEMBL4461841    		 2 C21 H22 N2 O10 InChI=1S/C21H22N2O10/c1-1
    0(25)22-17-19(27)18(26)16
    (9-24)33-21(17)32-15-5-3-
    2-4-14(15)11-6-12(20(28)2
    9)8-13(7-11)23(30)31/h2-8
    ,16-19,21,24,26-27H,9H2,1
    H3,(H,22,25)(H,28,29)/t16
    -,17-,18+,19-,21-/m1/s1;
    MUERTXQUUVQXJH-GQUPQBGVSA-N    		 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O
    c2ccccc2c3cc(cc(c3)[N+](=O)[O-])C(=O)O)C
    O)O)O; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO
    )O[CH]1Oc2ccccc2c3cc(cc(c3)[N+]([O-])=O)
    C(O)=O; [N+](=O)(c1cc(cc(c1)c3c(OC2C(NC(
    C)=O)C(O)C(C(CO)O2)O)cccc3)C(O)=O)[O-];
    CC(=O)NC1C(C(C(OC1Oc2ccccc2c3cc(cc(c3)[N
    +](=O)[O-])C(=O)O)CO)O)O; CC(=O)N[C@@H]1
    [C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc2cc
    ccc2c3cc(cc(c3)[N+]([O-])=O)C(O)=O    		 2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}-5-nitro[1,1'-biphenyl]-3-carboxylic acid
    25526 JCE
    CHEMBL4572807    		 2 C17 H15 N5 InChI=1S/C17H15N5/c18-17-
    10-15(20-21-17)13-5-4-12-
    6-8-22(16(12)9-13)11-14-3
    -1-2-7-19-14/h1-10H,11H2,
    (H3,18,20,21);
    QCOOOKJAGFXTOZ-UHFFFAOYSA-N    		 c1ccnc(c1)Cn2ccc3c2cc(cc3)c4cc(n[nH]4)N;
    Nc1cc([nH]n1)c2ccc3ccn(Cc4ccccn4)c3c2    		 5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazol-3-amine
    25527 JCF
    CHEMBL3916938
    ZINC000263620327    		 1 C11 H10 N2 O2 InChI=1S/C11H10N2O2/c1-6-
    2-3-7-4-8(11(12)15)5-9(14
    )10(7)13-6/h2-5,14H,1H3,(
    H2,12,15);
    CTRBRVRHXAPYCD-UHFFFAOYSA-N    		 Cc1ccc2cc(cc(O)c2n1)C(N)=O; Cc1ccc2cc(cc
    (c2n1)O)C(=O)N; O=C(c1cc(O)c2nc(ccc2c1)C
    )N    		 8-hydroxy-2-methylquinoline-6-carboxamide
    25528 JCG 1 C24 H25 F N2 O6 S InChI=1S/C24H25FN2O6S/c1-
    24(23(29)26-30,34(2,31)32
    )11-13-27-12-10-18(14-22(
    27)28)20-9-8-19(15-21(20)
    25)33-16-17-6-4-3-5-7-17/
    h3-10,12,14-15,30H,11,13,
    16H2,1-2H3,(H,26,29)/t24-
    /m1/s1;
    RPIBMYVEZQVKQW-XMMPIXPASA-N    		 C[C@@](CCN1C=CC(=CC1=O)c2ccc(cc2F)OCc3cc
    ccc3)(C(=O)NO)S(=O)(=O)C; C[C](CCN1C=CC(
    =CC1=O)c2ccc(OCc3ccccc3)cc2F)(C(=O)NO)[S
    ](C)(=O)=O; C[C@@](CCN1C=CC(=CC1=O)c2ccc
    (OCc3ccccc3)cc2F)(C(=O)NO)[S](C)(=O)=O;
    CC(CCN1C=CC(=CC1=O)c2ccc(cc2F)OCc3ccccc3
    )(C(=O)NO)S(=O)(=O)C; C3(C=C(c2c(F)cc(OC
    c1ccccc1)cc2)C=CN3CCC(C)(S(C)(=O)=O)C(=O
    )NO)=O    		 (2R)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
    25529 JCH
    CHEMBL4474548    		 2 C19 H18 N4 O InChI=1S/C19H18N4O/c1-24-
    16-6-2-13(3-7-16)12-23-9-
    8-14-4-5-15(10-18(14)23)1
    7-11-19(20)22-21-17/h2-11
    H,12H2,1H3,(H3,20,21,22);
    OQIZQMWQHPDPIM-UHFFFAOYSA-N    		 COc1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)
    N; COc1ccc(Cn2ccc3ccc(cc23)c4cc(N)[nH]n4
    )cc1    		 3-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1~{H}-pyrazol-5-amine
    25530 JCI 1 C19 H18 N6 O4 S InChI=1S/C19H18N6O4S/c1-3
    -24(2)9-16-21-15(10-30-16
    )19(26)8-13(20-11-19)18-2
    2-17(23-29-18)12-6-4-5-7-
    14(12)25(27)28/h1,4-7,10,
    13,20,26H,8-9,11H2,2H3/t1
    3-,19-/m1/s1;
    MEVOALTZQOOEHC-BFUOFWGJSA-N    		 CN(Cc1nc(cs1)C2(CC(NC2)c3nc(no3)c4ccccc4
    N(=O)=O)O)C#C; CN(Cc1scc(n1)[C@]2(O)CN[C
    @H](C2)c3onc(n3)c4ccccc4[N](=O)=O)C#C; C
    N(Cc1nc(cs1)[C@]2(C[C@@H](NC2)c3nc(no3)c
    4ccccc4N(=O)=O)O)C#C; CN(Cc1scc(n1)[C]2(
    O)CN[CH](C2)c3onc(n3)c4ccccc4[N](=O)=O)C
    #C    		 (3~{R},5~{R})-3-[2-[[ethynyl(methyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
    25531 JCJ 4 C18 H12 Br N5 O InChI=1S/C18H12BrN5O/c19-
    13-2-1-3-15(12-13)24-16(6
    -10-21-24)18-17(25)7-11-2
    3(22-18)14-4-8-20-9-5-14/
    h1-12H;
    YVZCBIBNWBUADR-UHFFFAOYSA-N    		 c1cc(cc(c1)Br)n2c(ccn2)C3=NN(C=CC3=O)c4c
    cncc4; Brc1cccc(c1)n2nccc2C3=NN(C=CC3=O)
    c4ccncc4; O=C1C=CN(N=C1c1ccnn1c1cc(Br)cc
    c1)c1ccncc1    		 3-[1-(3-bromophenyl)-1H-pyrazol-5-yl]-1-(pyridin-4-yl)pyridazin-4(1H)-one
    25532 JCK
    CHEMBL4537643    		 2 C24 H24 N6 InChI=1S/C24H24N6/c25-14-
    21-23(27-28-24(21)26)20-8
    -7-19-9-12-30(22(19)13-20
    )16-18-5-3-17(4-6-18)15-2
    9-10-1-2-11-29/h3-9,12-13
    H,1-2,10-11,15-16H2,(H3,2
    6,27,28);
    IWWBYCSSMDZNIG-UHFFFAOYSA-N    		 c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)
    C#N)CN5CCCC5; Nc1[nH]nc(c2ccc3ccn(Cc4ccc
    (CN5CCCC5)cc4)c3c2)c1C#N    		 5-azanyl-3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
    25533 JCL
    CHEMBL500082
    DB08016
    ZINC000040976115    		 5 C8 H12 Cl N2 O6 P InChI=1S/C8H12ClN2O6P/c9-
    6-5(7(12)11-8(13)10-6)3-1
    -2-4-17-18(14,15)16/h1-4H
    2,(H2,14,15,16)(H2,10,11,
    12,13);
    DAUATIBSDSXXHA-UHFFFAOYSA-N    		 C(CCOP(=O)(O)O)CC1=C(NC(=O)NC1=O)Cl; ClC
    1=C(C(=O)NC(=O)N1)CCCCOP(=O)(O)O; O[P](O
    )(=O)OCCCCC1=C(Cl)NC(=O)NC1=O    		 4-(6-CHLORO-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL) BUTYL PHOSPHATE
    25534 JCM 1 C30 H37 N7 S InChI=1S/C30H37N7S/c1-4-1
    4-37(30-33-26(21-38-30)29
    -32-13-11-28(31)34-29)27-
    20-25(8-5-22(27)2)24-9-6-
    23(7-10-24)12-15-36-18-16
    -35(3)17-19-36/h5-11,13,2
    0-21H,4,12,14-19H2,1-3H3,
    (H2,31,32,34);
    QNERPEQPKFYEGH-UHFFFAOYSA-N    		 CCCN(c1cc(ccc1C)c2ccc(cc2)CCN3CCN(CC3)C)
    c4nc(cs4)c5nccc(n5)N; CCCN(c1scc(n1)c2nc
    cc(N)n2)c3cc(ccc3C)c4ccc(CCN5CCN(C)CC5)c
    c4    		 4-(4-azanylpyrimidin-2-yl)-N-[2-methyl-5-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]phenyl]-N-propyl-1,3-thiazol-2-amine
    25535 JCO
    ZINC000010063720    		 1 C16 H22 N2 O3 S InChI=1S/C16H22N2O3S/c1-2
    -18-15-9-8-13(10-12(15)11
    -16(18)19)17-22(20,21)14-
    6-4-3-5-7-14/h8-10,14,17H
    ,2-7,11H2,1H3;
    OTQKWYLWWLILAL-UHFFFAOYSA-N    		 CCN1C(=O)Cc2cc(N[S](=O)(=O)C3CCCCC3)ccc1
    2; CCN1c2ccc(cc2CC1=O)NS(=O)(=O)C3CCCCC3    		 N-(1-ethyl-2-oxidanylidene-3H-indol-5-yl)cyclohexanesulfonamide;
    N-(1-ethyl-2-oxoindolin-5-yl)cyclohexanesulfonamide
    25536 JCP
    CHEMBL2180403
    ZINC000095579303    		 4 C20 H19 N7 O2 InChI=1S/C20H19N7O2/c1-21
    -19(28)14-6-7-22-10-17(14
    )27-20(29)18-16(25-13-8-2
    3-11-24-9-13)5-4-15(26-18
    )12-2-3-12/h4-12,25H,2-3H
    2,1H3,(H,21,28)(H,27,29);
    QJUBZPIVEQSLKB-UHFFFAOYSA-N    		 CNC(=O)c1ccncc1NC(=O)c2c(ccc(n2)C3CC3)Nc
    4cncnc4; CNC(=O)c1ccncc1NC(=O)c2nc(ccc2N
    c3cncnc3)C4CC4; O=C(Nc1cnccc1C(=O)NC)c1n
    c(ccc1Nc1cncnc1)C1CC1    		 6-cyclopropyl-N-[4-(methylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
    25537 JCQ
    CHEMBL4583556    		 6 C12 H12 N2 O3 InChI=1S/C12H12N2O3/c1-16
    -11-4-2-3-9(5-11)8-17-12(
    15)10-6-13-14-7-10/h2-7H,
    8H2,1H3,(H,13,14);
    FPKSPQNXHHFSNA-UHFFFAOYSA-N    		 COc1cccc(c1)COC(=O)c2c[nH]nc2; COc1cccc(
    COC(=O)c2c[nH]nc2)c1    		 (3-methoxyphenyl)methyl 1~{H}-pyrazole-4-carboxylate
    25538 JCR
    CHEMBL5169479    		 1 C22 H20 N6 O2 InChI=1S/C22H20N6O2/c1-2-
    27-20-19(21(29)26-22(27)3
    0)28(13-14-8-4-3-5-9-14)1
    8(25-20)12-17-23-15-10-6-
    7-11-16(15)24-17/h3-11H,2
    ,12-13H2,1H3,(H,23,24)(H,
    26,29,30);
    KRRLVHYAVVYHJV-UHFFFAOYSA-N    		 CCN1C(=O)NC(=O)c2n(Cc3ccccc3)c(Cc4[nH]c5
    ccccc5n4)nc12; CCN1c2c(n(c(n2)Cc3[nH]c4c
    cccc4n3)Cc5ccccc5)C(=O)NC1=O    		 8-(1~{H}-benzimidazol-2-ylmethyl)-3-ethyl-7-(phenylmethyl)purine-2,6-dione
    25539 JCT 1 C29 H28 N5 O5 Ru S InChI=1S/C24H29N5O4S.C5H5
    .H2O.Ru/c30-21(8-4-3-7-20
    -22-18(14-34-20)26-24(33)
    27-22)29-11-9-28(10-12-29
    )19-13-17(23(31)32)25-16-
    6-2-1-5-15(16)19;1-2-4-5-
    3-1;;/h1-2,5-6,13,18,20,2
    2H,3-4,7-12,14H2,(H,31,32
    )(H2,26,27,33);1-5H;1H2;/
    q;;;+2/p-2/t18-,20-,22-;;
    ;/m0.../s1;
    CQAGRAKHOFYKGA-XRCFJZOASA-L    		 c1ccc2c(c1)C(=CC3=[N]2[Ru]4567([C]8[C]4[
    C]5[C]6[C]78)(OC3=O)[O])N9CCN(CC9)C(=O)C
    CCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2; O.[R
    u]OC(=O)c1cc(N2CCN(CC2)C(=O)CCCC[C@@H]3S
    C[C@@H]4NC(=O)N[C@H]34)c5ccccc5n1.C6CCCC
    6; c1ccc2c(c1)C(=CC3=[N]2[Ru]4567([C]8[C
    ]4[C]5[C]6[C]78)(OC3=O)[O])N9CCN(CC9)C(=
    O)CCCCC1C2C(CS1)NC(=O)N2; O.[Ru]OC(=O)c1
    cc(N2CCN(CC2)C(=O)CCCC[CH]3SC[CH]4NC(=O)
    N[CH]34)c5ccccc5n1.C6CCCC6    		 biotinylated ruthenium cyclopentadienide
    25540 JCU 4 C11 H13 N3 InChI=1S/C11H13N3/c1-13-7
    -9-4-2-3-8-5-6-14(10(8)9)
    11(13)12/h2-4,12H,5-7H2,1
    H3/b12-11-;
    QHQIGFVXRSNTKN-QXMHVHEDSA-N    		 CN1Cc2cccc3CCN(C1=N)c23; [H]/N=C\1/N(Cc2
    cccc3c2N1CC3)C; CN1Cc2cccc3c2N(C1=N)CC3    		 10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine
    25541 JCV 71 C98 H193 O19 P InChI=1S/C98H193O19P/c1-7
    0-29-17-33-74(5)41-25-49-
    82(13)57-61-110-66-86(68-
    114-98-96(107)90(101)89(1
    00)88(65-99)116-98)112-63
    -59-84(15)51-27-43-76(7)3
    5-19-31-72(3)39-23-47-80(
    11)55-56-81(12)48-24-40-7
    3(4)32-20-36-77(8)44-28-5
    2-85(16)60-64-113-87(69-1
    15-118(108,109)117-97-94(
    105)92(103)91(102)93(104)
    95(97)106)67-111-62-58-83
    (14)50-26-42-75(6)34-18-3
    0-71(2)38-22-46-79(10)54-
    53-78(9)45-21-37-70/h70-1
    07H,17-69H2,1-16H3,(H,108
    ,109)/t70-,71-,72-,73-,74
    +,75+,76+,77+,78-,79-,80-
    ,81-,82+,83+,84+,85+,86-,
    87-,88+,89+,90-,91-,92-,9
    3+,94+,95+,96+,97-,98+/m0
    /s1;
    JZJZIEMIUITWCY-BEAKYOBHSA-N    		 C[C@@H]1CCC[C@H](C)CCC[C@H](C)CC[C@@H](C
    )CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCO
    C[C@@H](CO[P](O)(=O)O[C@H]2[C@H](O)[C@@H
    ](O)[C@H](O)[C@@H](O)[C@H]2O)OCC[C@H](C)
    CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CC[C@@H
    ](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)
    CCO[C@@H](COCC[C@H](C)CCC1)CO[C@@H]3O[C@
    H](CO)[C@@H](O)[C@H](O)[C@H]3O; CC1CCCC(
    CCCC(CCOCC(OCCC(CCCC(CCCC(CCCC(CCC(CCCC(
    CCCC(CCCC(CCOC(COCCC(CCCC(CCCC(CCCC(CCC(
    CCC1)C)C)C)C)C)COP(=O)(O)OC2C(C(C(C(C2O)
    O)O)O)O)C)C)C)C)C)C)C)C)COC3C(C(C(C(O3)C
    O)O)O)O)C)C; C[C@H]1CCC[C@H](CCC[C@H](CC
    OC[C@H](OCC[C@@H](CCC[C@@H](CCC[C@@H](CC
    C[C@@H](CC[C@H](CCC[C@H](CCC[C@H](CCC[C@
    H](CCO[C@@H](COCC[C@@H](CCC[C@@H](CCC[C@
    @H](CCC[C@@H](CC[C@H](CCC1)C)C)C)C)C)COP
    (=O)(O)OC2[C@@H]([C@H](C([C@H]([C@H]2O)O
    )O)O)O)C)C)C)C)C)C)C)C)CO[C@H]3[C@@H]([C
    @H]([C@@H]([C@H](O3)CO)O)O)O)C)C; C[CH]1
    CCC[CH](C)CCC[CH](C)CC[CH](C)CCC[CH](C)C
    CC[CH](C)CCC[CH](C)CCOC[CH](CO[P](O)(=O)
    O[CH]2[CH](O)[CH](O)[CH](O)[CH](O)[CH]2O
    )OCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C
    )CC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)
    CCO[CH](COCC[CH](C)CCC1)CO[CH]3O[CH](CO)
    [CH](O)[CH](O)[CH]3O    		 [(2~{S},7~{R},11~{R},15~{S},19~{S},22~{S},26~{S},30~{R},34~{R},39~{S},43~{R},47~{R},51~{S},55~{S},58~{S},62~{S},66~{R},70~{R})-39-[[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methyl [(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] hydrogen phosphate
    25542 JCW 20 C17 H17 F N4 O InChI=1S/C17H17FN4O/c18-1
    6-13(15-6-9(17(19)23)3-4-
    20-15)5-10(8-21-16)12-7-1
    1-1-2-14(12)22-11/h3-6,8,
    11-12,14,22H,1-2,7H2,(H2,
    19,23)/t11-,12+,14+/m0/s1;
    FQBYLVVJPBRDCG-OUCADQQQSA-N    		 NC(=O)c1ccnc(c1)c2cc(cnc2F)[C@H]3C[C@@H]
    4CC[C@H]3N4; c1cnc(cc1C(=O)N)c2cc(cnc2F)
    C3CC4CCC3N4; c1cnc(cc1C(=O)N)c2cc(cnc2F)
    [C@H]3C[C@@H]4CC[C@H]3N4; NC(=O)c1ccnc(c
    1)c2cc(cnc2F)[CH]3C[CH]4CC[CH]3N4    		 2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide
    25543 JCX
    ZINC000000406112    		 2 C10 H13 N O2 InChI=1S/C10H13NO2/c1-7(9
    (11)10(12)13)8-5-3-2-4-6-
    8/h2-7,9H,11H2,1H3,(H,12,
    13)/t7-,9+/m1/s1;
    IRZQDMYEJPNDEN-APPZFPTMSA-N    		 CC(c1ccccc1)C(C(=O)O)N; C[C@H](c1ccccc1)
    [C@@H](C(=O)O)N; C[C@@H]([C@H](N)C(O)=O)
    c1ccccc1; C[CH]([CH](N)C(O)=O)c1ccccc1    		 (2S,3R)-2-azanyl-3-phenyl-butanoic acid
    25544 JCY 6 C25 H30 F N5 O InChI=1S/C25H30FN5O/c1-16
    -20(17(2)30(5)27-16)11-12
    -32-25-14-19(26)8-9-21(25
    )18-7-10-24-22(13-18)23(1
    5-29(3)4)28-31(24)6/h7-10
    ,13-14H,11-12,15H2,1-6H3;
    YEOAAQMCKFJWKF-UHFFFAOYSA-N    		 CN(C)Cc1nn(C)c2ccc(cc12)c3ccc(F)cc3OCCc4
    c(C)nn(C)c4C; Cc1c(c(n(n1)C)C)CCOc2cc(cc
    c2c3ccc4c(c3)c(nn4C)CN(C)C)F; c1c4c(cc(c
    1)c2c(cc(cc2)F)OCCc3c(n(C)nc3C)C)c(CN(C)
    C)nn4C    		 1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1H-indazol-3-yl)-N,N-dimethylmethanamine
    25545 JCZ
    CHEMBL4475938    		 2 C11 H10 N4 InChI=1S/C11H10N4/c12-11-
    6-10(14-15-11)8-2-1-7-3-4
    -13-9(7)5-8/h1-6,13H,(H3,
    12,14,15);
    WGNBSWSUVHVDSW-UHFFFAOYSA-N    		 c1cc(cc2c1cc[nH]2)c3cc([nH]n3)N; Nc1[nH]
    nc(c1)c2ccc3cc[nH]c3c2    		 3-(1~{H}-indol-6-yl)-1~{H}-pyrazol-5-amine
    25546 JD1
    CHEMBL2088338
    ZINC000084742447    		 1 C15 H20 N2 O7 P2 InChI=1S/C15H20N2O7P2/c1-
    10(2)24-14-5-3-11(4-6-14)
    12-7-13(9-16-8-12)17-15(2
    5(18,19)20)26(21,22)23/h3
    -10,15,17H,1-2H3,(H2,18,1
    9,20)(H2,21,22,23);
    AEYMCQCOKHXTEC-UHFFFAOYSA-N    		 O=P(O)(O)C(Nc1cc(cnc1)c2ccc(OC(C)C)cc2)P
    (=O)(O)O; CC(C)Oc1ccc(cc1)c2cc(cnc2)NC(P
    (=O)(O)O)P(=O)(O)O; CC(C)Oc1ccc(cc1)c2cn
    cc(NC([P](O)(O)=O)[P](O)(O)=O)c2    		 [({5-[4-(propan-2-yloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid)
    25547 JD2
    CHEMBL4454013    		 2 C18 H14 N6 InChI=1S/C18H14N6/c19-10-
    15-17(22-23-18(15)20)13-5
    -4-12-6-8-24(16(12)9-13)1
    1-14-3-1-2-7-21-14/h1-9H,
    11H2,(H3,20,22,23);
    OGAVRMBWGWENPE-UHFFFAOYSA-N    		 Nc1[nH]nc(c2ccc3ccn(Cc4ccccn4)c3c2)c1C#N
    ; c1ccnc(c1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4
    )N)C#N    		 5-azanyl-3-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
    25548 JD3
    ZINC000001601575    		 1 C12 H14 N2 O2 InChI=1S/C12H14N2O2/c1-7(
    11(13)12(15)16)9-6-14-10-
    5-3-2-4-8(9)10/h2-7,11,14
    H,13H2,1H3,(H,15,16)/t7-,
    11+/m1/s1;
    CZSQAYAIWDEOSA-HQJQHLMTSA-N    		 CC(c1c[nH]c2c1cccc2)C(C(=O)O)N; C[C@H](c
    1c[nH]c2c1cccc2)[C@@H](C(=O)O)N; C[C@@H]
    ([C@H](N)C(O)=O)c1c[nH]c2ccccc12; C[CH](
    [CH](N)C(O)=O)c1c[nH]c2ccccc12    		 (2S,3R)-2-azanyl-3-(1H-indol-3-yl)butanoic acid
    25549 JD5
    CHEMBL2088339
    ZINC000084739116    		 3 C15 H18 N2 O7 P2 InChI=1S/C15H18N2O7P2/c18
    -25(19,20)15(26(21,22)23)
    17-12-7-11(8-16-9-12)10-1
    -3-13(4-2-10)24-14-5-6-14
    /h1-4,7-9,14-15,17H,5-6H2
    ,(H2,18,19,20)(H2,21,22,2
    3);
    QCLQOQRSHDMFKS-UHFFFAOYSA-N    		 c1cc(ccc1c2cc(cnc2)NC(P(=O)(O)O)P(=O)(O)
    O)OC3CC3; O[P](O)(=O)C(Nc1cncc(c1)c2ccc(
    OC3CC3)cc2)[P](O)(O)=O; O=P(O)(O)C(Nc1cc
    (cnc1)c3ccc(OC2CC2)cc3)P(=O)(O)O    		 [({5-[4-(cyclopropyloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid)
    25550 JD6
    CHEMBL4548867
    ZINC000000169546    		 4 C10 H11 N3 InChI=1S/C10H11N3/c1-6-7(
    2)13-10-5-8(11)3-4-9(10)1
    2-6/h3-5H,11H2,1-2H3;
    QBZGAULXCVZXFL-UHFFFAOYSA-N    		 Nc1cc2nc(C)c(C)nc2cc1; Cc1c(nc2cc(ccc2n1
    )N)C; Cc1nc2ccc(N)cc2nc1C    		 2,3-dimethylquinoxalin-6-amine
    25551 JD7
    CHEMBL31215
    ZINC000000006398    		 2 C14 H13 N3 InChI=1S/C14H13N3/c15-8-1
    1-4-6-12(7-5-11)14-3-1-2-
    13-9-16-10-17(13)14/h4-7,
    9-10,14H,1-3H2/t14-/m0/s1;
    CLPFFLWZZBQMAO-AWEZNQCLSA-N    		 c1cc(ccc1C#N)C2CCCc3n2cnc3; c1cc(ccc1C#N
    )[C@@H]2CCCc3n2cnc3; C1Cc3n(C(C1)c2ccc(c
    c2)C#N)cnc3; N#Cc1ccc(cc1)[C@@H]2CCCc3cn
    cn23; N#Cc1ccc(cc1)[CH]2CCCc3cncn23    		 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile;
    fadrozole
    25552 JD8 2 C19 H22 N6 InChI=1S/C19H22N6/c1-24-8
    -3-2-4-15(24)12-25-9-7-13
    -5-6-14(10-17(13)25)18-16
    (11-20)19(21)23-22-18/h5-
    7,9-10,15H,2-4,8,12H2,1H3
    ,(H3,21,22,23)/t15-/m1/s1;
    SXMWJVDDIHQQEA-OAHLLOKOSA-N    		 CN1CCCCC1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)
    C#N; CN1CCCC[CH]1Cn2ccc3ccc(cc23)c4n[nH]
    c(N)c4C#N; CN1CCCC[C@@H]1Cn2ccc3ccc(cc23
    )c4n[nH]c(N)c4C#N; CN1CCCC[C@@H]1Cn2ccc3
    c2cc(cc3)c4c(c([nH]n4)N)C#N    		 5-azanyl-3-[1-[[(2~{R})-1-methylpiperidin-2-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
    25553 JD9 2 C29 H28 O10 InChI=1S/C29H28O10/c1-10(
    30)6-12-18-19-13(7-11(2)3
    1)29(39-5)27(36)22-16(34)
    9-17(37-3)23(25(19)22)20-
    14(32)8-15(33)21(24(18)20
    )26(35)28(12)38-4/h8-11,3
    0-34H,6-7H2,1-5H3/t10-,11
    -/m1/s1;
    SZXDWEFJNLPCTA-GHMZBOCLSA-N    		 CC(CC1=C(C(=O)c2c(cc(c3c2c1c4c5c3c(cc(c5
    C(=O)C(=C4CC(C)O)OC)O)OC)O)O)OC)O; COc1c
    c(O)c2C(=O)C(=C(C[C@@H](C)O)c3c4C(=C(OC)
    C(=O)c5c(O)cc(O)c(c1c23)c45)C[C@@H](C)O)
    OC; C[C@H](CC1=C(C(=O)c2c(cc(c3c2c1c4c5c
    3c(cc(c5C(=O)C(=C4C[C@@H](C)O)OC)O)OC)O)
    O)OC)O; COc1cc(O)c2C(=O)C(=C(C[CH](C)O)c
    3c4C(=C(OC)C(=O)c5c(O)cc(O)c(c1c23)c45)C
    [CH](C)O)OC    		 2,6,11-trimethoxy-4,7,9-tris(oxidanyl)-1,12-bis[(2R)-2-oxidanylpropyl]perylene-3,10-dione
    25554 JDA
    CHEMBL3182437
    ZINC000098023188    		 3 C23 H24 N6 InChI=1S/C23H24N6/c1-16(2
    )20-6-4-5-7-21(20)23-24-1
    4-17(3)22(27-23)25-15-18-
    8-10-19(11-9-18)29-13-12-
    26-28-29/h4-14,16H,15H2,1
    -3H3,(H,24,25,27);
    VUIRVWPJNKZOSS-UHFFFAOYSA-N    		 CC(C)c1ccccc1c2ncc(C)c(NCc3ccc(cc3)n4ccn
    n4)n2; Cc1cnc(nc1NCc2ccc(cc2)n3ccnn3)c4c
    cccc4C(C)C    		 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine
    25555 JDB
    CHEMBL3991216
    ZINC000098209040    		 2 C18 H16 N2 O5 InChI=1S/C18H16N2O5/c1-25
    -13-6-5-11-4-2-10(8-12(11
    )9-13)3-7-14-15(17(22)23)
    19-18(24)20-16(14)21/h2,4
    -6,8-9H,3,7H2,1H3,(H,22,2
    3)(H2,19,20,21,24);
    BIZXBPHEWFJZCA-UHFFFAOYSA-N    		 COc1ccc2ccc(cc2c1)CCC3=C(NC(=O)NC3=O)C(=
    O)O; O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2cc(
    OC)ccc2cc3; COc1ccc2ccc(CCC3=C(NC(=O)NC3
    =O)C(O)=O)cc2c1    		 5-[2-(7-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
    25556 JDC
    CHEMBL415247
    ZINC000003940643    		 6 C28 H39 N3 O3 InChI=1S/C28H39N3O3/c1-18
    (2)26(30-27(34)25-13-20-8
    -9-24(33)12-21(20)15-29-2
    5)17-31-11-10-28(4,19(3)1
    6-31)22-6-5-7-23(32)14-22
    /h5-9,12,14,18-19,25-26,2
    9,32-33H,10-11,13,15-17H2
    ,1-4H3,(H,30,34)/t19-,25+
    ,26+,28+/m0/s1;
    ZLVXBBHTMQJRSX-VMGNSXQWSA-N    		 CC1CN(CCC1(C)c2cccc(c2)O)CC(C(C)C)NC(=O)
    C3Cc4ccc(cc4CN3)O; C[C@H]1CN(CC[C@@]1(C)
    c2cccc(c2)O)C[C@H](C(C)C)NC(=O)[C@H]3Cc4
    ccc(cc4CN3)O; O=C(NC(CN2CCC(c1cccc(O)c1)
    (C(C2)C)C)C(C)C)C4NCc3cc(O)ccc3C4; CC(C)
    [CH](CN1CC[C](C)([CH](C)C1)c2cccc(O)c2)N
    C(=O)[CH]3Cc4ccc(O)cc4CN3; CC(C)[C@@H](C
    N1CC[C@](C)([C@@H](C)C1)c2cccc(O)c2)NC(=
    O)[C@H]3Cc4ccc(O)cc4CN3    		 (3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
    25557 JDD
    CHEMBL4163218
    ZINC000584905575    		 1 C24 H28 N6 O2 InChI=1S/C24H28N6O2/c1-25
    -23(31)18-29(20-10-15-28(
    16-11-20)22-5-2-3-12-26-2
    2)24(32)17-19-6-8-21(9-7-
    19)30-14-4-13-27-30/h2-9,
    12-14,20H,10-11,15-18H2,1
    H3,(H,25,31);
    YEXLLXYWKQMRML-UHFFFAOYSA-N    		 CNC(=O)CN(C1CCN(CC1)c2ccccn2)C(=O)Cc3ccc
    (cc3)n4cccn4    		 N-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-pyrazol-1-ylphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)ethanamide
    25558 JDE
    CHEMBL4447182    		 2 C17 H15 N3 O3 InChI=1S/C17H15N3O3/c1-22
    -16-6-12(11-23-17(21)15-9
    -19-20-10-15)5-14(7-16)13
    -3-2-4-18-8-13/h2-10H,11H
    2,1H3,(H,19,20);
    JWEGKKOSKAIWMV-UHFFFAOYSA-N    		 COc1cc(COC(=O)c2c[nH]nc2)cc(c1)c3cccnc3;
    COc1cc(cc(c1)c2cccnc2)COC(=O)c3c[nH]nc3    		 (3-methoxy-5-pyridin-3-yl-phenyl)methyl 1~{H}-pyrazole-4-carboxylate
    25559 JDF
    ZINC000140302291    		 1 C26 H40 O8 InChI=1S/C26H40O8/c1-14-1
    1-25-9-5-16-23(2,17(25)6-
    10-26(14,32)13-25)7-4-8-2
    4(16,3)22(31)34-21-20(30)
    19(29)18(28)15(12-27)33-2
    1/h15-21,27-30,32H,1,4-13
    H2,2-3H3/t15-,16+,17+,18-
    ,19+,20-,21+,23-,24-,25-,
    26+/m1/s1;
    OQPOFZJZPYRNFF-CULFPKEHSA-N    		 C[C@@]12CCC[C@](C)([C@H]1CC[C@]34CC(=C)[
    C@](O)(CC[C@@H]23)C4)C(=O)O[C@@H]5O[C@H]
    (CO)[C@@H](O)[C@H](O)[C@H]5O; C[C]12CCC[
    C](C)([CH]1CC[C]34CC(=C)[C](O)(CC[CH]23)
    C4)C(=O)O[CH]5O[CH](CO)[CH](O)[CH](O)[CH
    ]5O; C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H
    ]2CC[C@](C3)(C(=C)C4)O)(C)C(=O)O[C@H]5[C
    @@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O; CC1
    2CCCC(C1CCC34C2CCC(C3)(C(=C)C4)O)(C)C(=O
    )OC5C(C(C(C(O5)CO)O)O)O    		 steviol-19-o-glucoside
    25560 JDG
    CHEMBL4454542    		 7 C31 H49 N5 O2 InChI=1S/C31H49N5O2/c1-23
    (2)36-17-12-25(13-18-36)3
    3-31-26-20-29(37-3)30(38-
    19-9-16-35-14-7-8-15-35)2
    1-27(26)34-28(22-32-31)24
    -10-5-4-6-11-24/h20-21,23
    -25H,4-19,22H2,1-3H3,(H,3
    2,33);
    CEYUGMZUIYBLTQ-UHFFFAOYSA-N    		 COc1cc2C(=NCC(=Nc2cc1OCCCN3CCCC3)C4CCCCC
    4)NC5CCN(CC5)C(C)C; C1N(CCC1)CCCOc5c(cc2
    c(N=C(CN=C2NC3CCN(CC3)C(C)C)C4CCCCC4)c5)
    OC; CC(C)N1CCC(CC1)NC2=NCC(=Nc3c2cc(c(c3
    )OCCCN4CCCC4)OC)C5CCCCC5    		 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine
    25561 JDH
    CHEMBL4457380    		 2 C25 H27 N7 InChI=1S/C25H27N7/c1-30-1
    0-12-31(13-11-30)16-18-2-
    4-19(5-3-18)17-32-9-8-20-
    6-7-21(14-23(20)32)24-22(
    15-26)25(27)29-28-24/h2-9
    ,14H,10-13,16-17H2,1H3,(H
    3,27,28,29);
    DTFOFBCTICVEIL-UHFFFAOYSA-N    		 CN1CCN(CC1)Cc2ccc(cc2)Cn3ccc4c3cc(cc4)c5
    c(c([nH]n5)N)C#N; CN1CCN(CC1)Cc2ccc(Cn3c
    cc4ccc(cc34)c5n[nH]c(N)c5C#N)cc2    		 5-azanyl-3-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
    25562 JDJ 1 C30 H54 O9 InChI=1S/C30H54O9/c1-29(2
    ,3)26-30(4,5)27-6-8-28(9-
    7-27)39-25-24-38-23-22-37
    -21-20-36-19-18-35-17-16-
    34-15-14-33-13-12-32-11-1
    0-31/h6-9,31H,10-26H2,1-5
    H3;
    OJLRAIOADFIRJN-UHFFFAOYSA-N    		 CC(CC(C)(c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCC
    OCCO)C)(C)C; CC(C)(C)CC(C)(C)c1ccc(cc1)O
    CCOCCOCCOCCOCCOCCOCCOCCO; CC(C)(C)CC(C)(
    C)c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCO)cc1    		 23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol;
    Anapoe-X-114
    25563 JDK
    CHEMBL4459768    		 2 C24 H27 N5 InChI=1S/C24H27N5/c25-24-
    15-22(26-27-24)21-9-8-20-
    10-13-29(23(20)14-21)17-1
    9-6-4-18(5-7-19)16-28-11-
    2-1-3-12-28/h4-10,13-15H,
    1-3,11-12,16-17H2,(H3,25,
    26,27);
    VDYQWEHGAZCAGH-UHFFFAOYSA-N    		 Nc1[nH]nc(c1)c2ccc3ccn(Cc4ccc(CN5CCCCC5)
    cc4)c3c2; c1cc(ccc1Cn2ccc3c2cc(cc3)c4cc(
    [nH]n4)N)CN5CCCCC5    		 3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazol-5-amine
    25564 JDL 4 C11 H12 F N3 InChI=1S/C11H12FN3/c1-14-
    6-8-5-9(12)4-7-2-3-15(10(
    7)8)11(14)13/h4-5,13H,2-3
    ,6H2,1H3/b13-11-;
    FHPIUPDPCMWKJY-QBFSEMIESA-N    		 CN1Cc2cc(cc3c2N(C1=N)CC3)F; CN1Cc2cc(F)c
    c3CCN(C1=N)c23; [H]/N=C\1/N(Cc2cc(cc3c2N
    1CC3)F)C    		 6-fluoranyl-10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine
    25565 JDM
    CHEMBL3990421
    ZINC000098209041    		 2 C14 H14 N2 O5 InChI=1S/C14H14N2O5/c17-7
    -9-4-2-1-3-8(9)5-6-10-11(
    13(19)20)15-14(21)16-12(1
    0)18/h1-4,17H,5-7H2,(H,19
    ,20)(H2,15,16,18,21);
    MDVINTUDORARNK-UHFFFAOYSA-N    		 c1ccc(c(c1)CCC2=C(NC(=O)NC2=O)C(=O)O)CO;
    OCc1ccccc1CCC2=C(NC(=O)NC2=O)C(O)=O; O=
    C1NC(C(=O)O)=C(C(=O)N1)CCc2ccccc2CO    		 5-{2-[2-(hydroxymethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
    25566 JDN
    CHEMBL342460
    ZINC000169743260    		 1 C8 H8 B N O2 InChI=1S/C8H8BNO2/c11-9(1
    2)7-1-2-8-6(5-7)3-4-10-8/
    h1-5,10-12H;
    VHADYSUJZAPXOW-UHFFFAOYSA-N    		 B(c1ccc2c(c1)cc[nH]2)(O)O; OB(O)c1ccc2[n
    H]ccc2c1    		 1~{H}-indol-5-ylboronic acid
    25567 JDO
    CHEMBL3286747    		 1 C50 H80 O28 InChI=1S/C50H80O28/c1-18-
    11-49-9-5-24-47(2,7-4-8-4
    8(24,3)46(68)77-44-39(34(
    64)29(59)22(15-54)72-44)7
    5-42-36(66)32(62)27(57)20
    (13-52)70-42)25(49)6-10-5
    0(18,17-49)78-45-40(76-43
    -37(67)33(63)28(58)21(14-
    53)71-43)38(30(60)23(16-5
    5)73-45)74-41-35(65)31(61
    )26(56)19(12-51)69-41/h19
    -45,51-67H,1,4-17H2,2-3H3
    /t19-,20-,21-,22-,23-,24+
    ,25+,26-,27-,28-,29-,30-,
    31+,32+,33+,34+,35-,36-,3
    7-,38+,39-,40-,41+,42+,43
    +,44+,45+,47-,48-,49-,50+
    /m1/s1;
    RPYRMTHVSUWHSV-CUZJHZIBSA-N    		 C[C@@]12CCC[C@](C)([C@H]1CC[C@]34CC(=C)[
    C@](CC[C@@H]23)(C4)O[C@@H]5O[C@H](CO)[C@
    @H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[
    C@H](O)[C@H]6O)[C@H]5O[C@@H]7O[C@H](CO)[
    C@@H](O)[C@H](O)[C@H]7O)C(=O)O[C@@H]8O[C
    @H](CO)[C@@H](O)[C@H](O)[C@H]8O[C@@H]9O[
    C@H](CO)[C@@H](O)[C@H](O)[C@H]9O; C[C@@]
    12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3
    )(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@
    H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C
    @H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@
    H]([C@H](O7)CO)O)O)O)(C)C(=O)O[C@H]8[C@@
    H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[
    C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O; CC
    12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C
    (C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C
    (C(C(O7)CO)O)O)O)(C)C(=O)OC8C(C(C(C(O8)C
    O)O)O)OC9C(C(C(C(O9)CO)O)O)O; C[C]12CCC[
    C](C)([CH]1CC[C]34CC(=C)[C](CC[CH]23)(C4
    )O[CH]5O[CH](CO)[CH](O)[CH](O[CH]6O[CH](
    CO)[CH](O)[CH](O)[CH]6O)[CH]5O[CH]7O[CH]
    (CO)[CH](O)[CH](O)[CH]7O)C(=O)O[CH]8O[CH
    ](CO)[CH](O)[CH](O)[CH]8O[CH]9O[CH](CO)[
    CH](O)[CH](O)[CH]9O    		 rebaudioside D
    25568 JDP
    CHEMBL3747513
    DB16874
    ZINC000208076131    		 36 C24 H23 N5 O2 InChI=1S/C24H23N5O2/c1-15
    -12-18-17(22(25)30)8-5-9-
    21(18)29(15)24-27-20-10-1
    1-31-14-19(20)23(28-24)26
    -13-16-6-3-2-4-7-16/h2-9,
    12H,10-11,13-14H2,1H3,(H2
    ,25,30)(H,26,27,28);
    RDALZZCKQFLGJP-UHFFFAOYSA-N    		 c5cccc(CNc3nc(n2c1cccc(C(=O)N)c1cc2C)nc4
    c3COCC4)c5; Cc1cc2c(cccc2C(N)=O)n1c3nc4C
    COCc4c(NCc5ccccc5)n3; Cc1cc2c(cccc2n1c3n
    c4c(c(n3)NCc5ccccc5)COCC4)C(=O)N    		 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
    25569 JDQ
    CHEMBL4537315    		 2 C18 H16 N4 InChI=1S/C18H16N4/c19-18-
    11-16(20-21-18)15-7-6-14-
    8-9-22(17(14)10-15)12-13-
    4-2-1-3-5-13/h1-11H,12H2,
    (H3,19,20,21);
    IXGUTMYAJBKSPV-UHFFFAOYSA-N    		 c1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N;
    Nc1[nH]nc(c1)c2ccc3ccn(Cc4ccccc4)c3c2    		 3-[1-(phenylmethyl)indol-6-yl]-1~{H}-pyrazol-5-amine
    25570 JDR
    CHEMBL1233735
    ZINC000058649837    		 1 C13 H13 Cl N4 O3 S2 InChI=1S/C13H13ClN4O3S2/c
    1-22-13-17-11(14)10(7-19)
    12(18-13)16-6-8-2-4-9(5-3
    -8)23(15,20)21/h2-5,7H,6H
    2,1H3,(H2,15,20,21)(H,16,
    17,18);
    NPWLBLGDDVPXFE-UHFFFAOYSA-N    		 CSc1nc(Cl)c(C=O)c(NCc2ccc(cc2)[S](N)(=O)
    =O)n1; O=S(=O)(N)c1ccc(cc1)CNc2nc(SC)nc(
    Cl)c2C=O; CSc1nc(c(c(n1)Cl)C=O)NCc2ccc(c
    c2)S(=O)(=O)N    		 4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide;
    4-{[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]methyl}benzenesulfonamide
    25571 JDS 2 C23 H25 Cl N4 O2 InChI=1S/C23H25ClN4O2/c24
    -15-8-10-20-18(13-15)23(1
    7-6-1-2-7-19(17)28-20)25-
    12-4-3-5-16-9-11-22(29)21
    (27-16)14-26-30/h8-11,13-
    14,29-30H,1-7,12H2,(H,25,
    28)/b26-14-;
    AEGVBHAVNJPGMI-WGARJPEWSA-N    		 ON=Cc1nc(CCCCNc2c3CCCCc3nc4ccc(Cl)cc24)c
    cc1O; O\N=C/c1nc(CCCCNc2c3CCCCc3nc4ccc(C
    l)cc24)ccc1O; c1cc2c(cc1Cl)c(c3c(n2)CCCC
    3)NCCCCc4ccc(c(n4)/C=N\O)O; c1cc2c(cc1Cl
    )c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)C=NO)O    		 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(~{Z})-hydroxyiminomethyl]pyridin-3-ol
    25572 JDT 0 C11 H17 N2 O8 P InChI=1S/C11H17N2O8P/c1-2
    -6-4-13(11(16)12-10(6)15)
    9-3-7(14)8(21-9)5-20-22(1
    7,18)19/h4,7-9,14H,2-3,5H
    2,1H3,(H,12,15,16)(H2,17,
    18,19)/t7-,8+,9+/m0/s1;
    PKJQLAZOOFOCPH-DJLDLDEBSA-N    		 CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O
    2)COP(=O)(O)O)O; CCC1=CN([C@H]2C[C@H](O)
    [C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O; O=P(
    O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)CC)CC2O;
    CCC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)
    O2)C(=O)NC1=O; CCC1=CN(C(=O)NC1=O)C2CC(C
    (O2)COP(=O)(O)O)O    		 2'-deoxy-5-ethyluridine 5'-(dihydrogen phosphate)
    25573 JDU 2 C22 H19 N5 O3 InChI=1S/C22H19N5O3/c1-15
    -19(26-21(30-15)16-6-3-2-
    4-7-16)9-11-27-10-5-8-18(
    22(27)29)20(28)25-17-12-2
    3-14-24-13-17/h2-8,10,12-
    14H,9,11H2,1H3,(H,25,28);
    PWKJVHWKTQIQLJ-UHFFFAOYSA-N    		 Cc1oc(nc1CCN2C=CC=C(C(=O)Nc3cncnc3)C2=O)
    c4ccccc4; O=C(Nc1cncnc1)C1=CC=CN(CCc2nc(
    oc2C)c2ccccc2)C1=O; Cc1c(nc(o1)c2ccccc2)
    CCN3C=CC=C(C3=O)C(=O)Nc4cncnc4    		 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2-oxo-N-(pyrimidin-5-yl)-1,2-dihydropyridine-3-carboxamide
    25574 JDV 3 C33 H41 F N4 O7 S2 InChI=1S/C33H41FN4O7S2/c1
    -18(2)14-38(47(41,42)23-9
    -10-26-29(13-23)46-32(36-
    26)35-22-7-8-22)15-28(39)
    27(11-19-3-5-21(34)6-4-19
    )37-33(40)45-30-20-12-24-
    25(30)17-44-31(24)43-16-2
    0/h3-6,9-10,13,18,20,22,2
    4-25,27-28,30-31,39H,7-8,
    11-12,14-17H2,1-2H3,(H,35
    ,36)(H,37,40)/t20-,24-,25
    -,27+,28-,30+,31+/m1/s1;
    VBIMXFCGAZTEQB-LZEUUTFHSA-N    		 CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)
    O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3
    )O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7; CC(
    C)CN(C[CH](O)[CH](Cc1ccc(F)cc1)NC(=O)O[C
    H]2[CH]3CO[CH]4OC[CH]2[CH]4C3)[S](=O)(=O
    )c5ccc6nc(NC7CC7)sc6c5; CC(C)CN(CC(C(Cc1
    ccc(cc1)F)NC(=O)OC2C3CC4C2COC4OC3)O)S(=O
    )(=O)c5ccc6c(c5)sc(n6)NC7CC7; CC(C)CN(C[
    C@@H](O)[C@H](Cc1ccc(F)cc1)NC(=O)O[C@H]2
    [C@H]3CO[C@H]4OC[C@@H]2[C@H]4C3)[S](=O)(
    =O)c5ccc6nc(NC7CC7)sc6c5; C21OCC3C(C(CO1
    )C2C3)OC(NC(C(CN(CC(C)C)S(c4cc5c(cc4)nc(
    s5)NC6CC6)(=O)=O)O)Cc7ccc(F)cc7)=O    		 (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate
    25575 JDW
    CHEMBL134361
    ZINC000027419987    		 1 C23 H24 N2 InChI=1S/C23H24N2/c1-3-24
    -20(15-13-18-9-5-7-11-22(
    18)24)17-21-16-14-19-10-6
    -8-12-23(19)25(21)4-2/h5-
    16H,3-4,17H2,1-2H3/q+2;
    LVEPVOGKAJXFDF-UHFFFAOYSA-N    		 CC[n+]1c(ccc2c1cccc2)Cc3ccc4ccccc4[n+]3C
    C; CC[n+]1c(Cc2ccc3ccccc3[n+]2CC)ccc4ccc
    cc14    		 1-ethyl-2-[(1-ethylquinolin-2-yl)methyl]quinoline
    25576 JDX
    ZINC000095921394    		 4 C26 H28 N2 O5 InChI=1S/C26H28N2O5/c1-28
    (17-20-8-6-10-23(33-3)24(
    20)26(30)31)16-19-7-4-5-9
    -22(19)25(29)27-15-18-11-
    13-21(32-2)14-12-18/h4-14
    H,15-17H2,1-3H3,(H,27,29)
    (H,30,31);
    OZXTYFPVKCOLRF-UHFFFAOYSA-N    		 CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3cccc(
    c3C(=O)O)OC; COc1ccc(CNC(=O)c2ccccc2CN(C
    )Cc3cccc(OC)c3C(O)=O)cc1; O=C(NCc1ccc(OC
    )cc1)c2ccccc2CN(C)Cc3cccc(OC)c3C(=O)O    		 2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]benzoic acid
    25577 JDY 3 C33 H41 F N4 O7 S2 InChI=1S/C33H41FN4O7S2/c1
    -18(2)14-38(47(41,42)23-8
    -9-26-29(13-23)46-32(36-2
    6)35-22-6-7-22)15-28(39)2
    7(11-19-4-3-5-21(34)10-19
    )37-33(40)45-30-20-12-24-
    25(30)17-44-31(24)43-16-2
    0/h3-5,8-10,13,18,20,22,2
    4-25,27-28,30-31,39H,6-7,
    11-12,14-17H2,1-2H3,(H,35
    ,36)(H,37,40)/t20-,24-,25
    -,27+,28-,30+,31+/m1/s1;
    JQZKWUOMGKUWLH-LZEUUTFHSA-N    		 CC(C)CN(C[CH](O)[CH](Cc1cccc(F)c1)NC(=O)
    O[CH]2[CH]3CO[CH]4OC[CH]2[CH]4C3)[S](=O)
    (=O)c5ccc6nc(NC7CC7)sc6c5; CC(C)CN(C[C@@
    H](O)[C@H](Cc1cccc(F)c1)NC(=O)O[C@H]2[C@
    H]3CO[C@H]4OC[C@@H]2[C@H]4C3)[S](=O)(=O)
    c5ccc6nc(NC7CC7)sc6c5; CC(C)CN(CC(C(Cc1c
    ccc(c1)F)NC(=O)OC2C3CC4C2COC4OC3)O)S(=O)
    (=O)c5ccc6c(c5)sc(n6)NC7CC7; CC(C)CN(C[C
    @H]([C@H](Cc1cccc(c1)F)NC(=O)O[C@H]2[C@@
    H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O
    )c5ccc6c(c5)sc(n6)NC7CC7; C21OCC3C(C(CO1
    )C2C3)OC(NC(C(CN(CC(C)C)S(c4cc5c(cc4)nc(
    s5)NC6CC6)(=O)=O)O)Cc7cccc(c7)F)=O    		 (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate
    25578 JE0
    CHEMBL5200009    		 1 C14 H14 Cl N3 O2 InChI=1S/C14H14ClN3O2/c1-
    7(12-13(19)18-14(16-2)20-
    12)8-6-17-10-5-3-4-9(15)1
    1(8)10/h3-7,12,17H,1-2H3,
    (H,16,18,19)/t7-,12+/m1/s
    1;
    YMXVJMTTWGZCKW-KRTXAFLBSA-N    		 CNC1=NC(=O)[CH](O1)[CH](C)c2c[nH]c3cccc(
    Cl)c23; CNC1=NC(=O)[C@@H](O1)[C@H](C)c2c
    [nH]c3cccc(Cl)c23; C[C@H](c1c[nH]c2c1c(c
    cc2)Cl)[C@H]3C(=O)N=C(O3)NC; CC(c1c[nH]c
    2c1c(ccc2)Cl)C3C(=O)N=C(O3)NC    		 (5S)-5-[(1R)-1-(4-chloranyl-1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one
    25579 JE1
    CHEMBL4523033    		 2 C17 H20 F3 N5 O S InChI=1S/C17H20F3N5OS/c1-
    16(10-21)4-7-25(8-5-16)15
    -23-9-12(14(26)24-15)27-1
    1-3-2-6-22-13(11)17(18,19
    )20/h2-3,6,9H,4-5,7-8,10,
    21H2,1H3,(H,23,24,26);
    OWJVXNYVTUXGIY-UHFFFAOYSA-N    		 C2(C(Sc1c(C(F)(F)F)nccc1)=CN=C(N2)N3CCC(
    CN)(C)CC3)=O; CC1(CN)CCN(CC1)C2=NC=C(Sc3
    cccnc3C(F)(F)F)C(=O)N2; CC1(CCN(CC1)C2=N
    C=C(C(=O)N2)Sc3cccnc3C(F)(F)F)CN    		 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3H)-one
    25580 JE2
    CHEMBL300891
    DB02668    		 8 C32 H37 N3 O5 S InChI=1S/C32H37N3O5S/c1-2
    0-11-8-9-14-23(20)18-33-3
    0(39)28-32(3,4)41-19-35(2
    8)31(40)27(37)25(17-22-12
    -6-5-7-13-22)34-29(38)24-
    15-10-16-26(36)21(24)2/h5
    -16,25,27-28,36-37H,17-19
    H2,1-4H3,(H,33,39)(H,34,3
    8)/t25-,27-,28+/m0/s1;
    CUFQBQOBLVLKRF-RZDMPUFOSA-N    		 Cc1ccccc1CNC(=O)[C@H]2N(CSC2(C)C)C(=O)[C
    @@H](O)[C@H](Cc3ccccc3)NC(=O)c4cccc(O)c4
    C; Cc1ccccc1CNC(=O)[C@@H]2C(SCN2C(=O)[C@
    H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4C)O)O)
    (C)C; Cc1ccccc1CNC(=O)[CH]2N(CSC2(C)C)C(
    =O)[CH](O)[CH](Cc3ccccc3)NC(=O)c4cccc(O)
    c4C; Cc1ccccc1CNC(=O)C2C(SCN2C(=O)C(C(Cc
    3ccccc3)NC(=O)c4cccc(c4C)O)O)(C)C; O=C(N
    Cc1ccccc1C)C4N(C(=O)C(O)C(NC(=O)c2cccc(O
    )c2C)Cc3ccccc3)CSC4(C)C    		 (4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide;
    JE-2147;
    AG1776;
    KNI-764
    25581 JE3
    CHEMBL5197708    		 1 C14 H14 F N3 O2 InChI=1S/C14H14FN3O2/c1-7
    (12-13(19)18-14(16-2)20-1
    2)8-6-17-10-5-3-4-9(15)11
    (8)10/h3-7,12,17H,1-2H3,(
    H,16,18,19)/t7-,12+/m1/s1;
    RPLLAXTXYOESKS-KRTXAFLBSA-N    		 CC(c1c[nH]c2c1c(ccc2)F)C3C(=O)N=C(O3)NC;
    CNC1=NC(=O)[CH](O1)[CH](C)c2c[nH]c3cccc
    (F)c23; CNC1=NC(=O)[C@@H](O1)[C@H](C)c2c
    [nH]c3cccc(F)c23; C[C@H](c1c[nH]c2c1c(cc
    c2)F)[C@H]3C(=O)N=C(O3)NC    		 (5S)-5-[(1R)-1-(4-fluoranyl-1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one
    25582 JE4
    CHEMBL4469071    		 2 C18 H20 Cl2 N6 O InChI=1S/C18H20Cl2N6O/c1-
    18(21)6-8-26(9-7-18)17-22
    -15-12(16(27)25(17)2)14(2
    3-24-15)10-4-3-5-11(19)13
    (10)20/h3-5H,6-9,21H2,1-2
    H3,(H,23,24);
    MSUDNEADKNPNRJ-UHFFFAOYSA-N    		 CN1C(=O)c2c([nH]nc2c3cccc(Cl)c3Cl)N=C1N4
    CCC(C)(N)CC4; CC1(CCN(CC1)C2=Nc3c(c(n[nH
    ]3)c4cccc(c4Cl)Cl)C(=O)N2C)N; c13c(nnc1c
    2c(c(Cl)ccc2)Cl)N=C(N(C3=O)C)N4CCC(C)(CC
    4)N    		 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
    25583 JE5 4 C32 H40 F N6 O9 S InChI=1S/C32H39FN6O9S/c33
    -24-18-26-28(40)20-29(32(
    42)36-21-22-4-2-1-3-5-22)
    48-30(26)27(19-24)38-49(4
    3,44)25-8-6-23(7-9-25)31(
    41)35-10-12-45-14-16-47-1
    7-15-46-13-11-37-39-34/h6
    -9,18-20,22,34,38H,1-5,10
    -17,21H2,(H-,35,36,41,42)
    /p+1;
    ZRZFXVZOMQBHDA-UHFFFAOYSA-O    		 Fc1cc(N[S](=O)(=O)c2ccc(cc2)C(=O)NCCOCCO
    CCOCCN=[N+]=N)c3OC(=CC(=O)c3c1)C(=O)NCC4
    CCCCC4; c1cc(ccc1C(=O)NCCOCCOCCOCCN=[N+]
    =N)S(=O)(=O)Nc2cc(cc3c2OC(=CC3=O)C(=O)NC
    C4CCCCC4)F    		 8-[[4-[2-[2-[2-[2-[(azanylidene-$l^{4}-azanylidene)amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]sulfonylamino]-~{N}-(cyclohexylmethyl)-6-fluoranyl-4-oxidanylidene-chromene-2-carboxamide
    25584 JE6 18 C22 H22 N4 O2 InChI=1S/C22H22N4O2/c1-15
    -11-18(26-10-9-22(14-23,2
    1(26)28)17-7-8-17)13-19(2
    4-15)25-20(27)12-16-5-3-2
    -4-6-16/h2-6,11,13,17H,7-
    10,12H2,1H3,(H,24,25,27)/
    t22-/m1/s1;
    FLWLQSFDWRRFDA-JOCHJYFZSA-N    		 Cc1cc(cc(NC(=O)Cc2ccccc2)n1)N3CC[C@@](C#
    N)(C4CC4)C3=O; Cc1cc(cc(NC(=O)Cc2ccccc2)
    n1)N3CC[C](C#N)(C4CC4)C3=O; Cc1cc(cc(n1)
    NC(=O)Cc2ccccc2)N3CCC(C3=O)(C#N)C4CC4; C
    c1cc(cc(n1)NC(=O)Cc2ccccc2)N3CC[C@@](C3=
    O)(C#N)C4CC4    		 ~{N}-[4-[(3~{S})-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-6-methyl-pyridin-2-yl]-2-phenyl-ethanamide
    25585 JE7
    CHEMBL4514244    		 2 C12 H8 Cl2 N4 S InChI=1S/C12H8Cl2N4S/c13-
    6-2-1-3-8(10(6)14)19-9-5-
    4-7-11(17-9)18-12(15)16-7
    /h1-5H,(H3,15,16,17,18);
    CYJMENLWUXOKNT-UHFFFAOYSA-N    		 c12nc(ccc1nc(n2)N)Sc3c(Cl)c(Cl)ccc3; Nc1
    [nH]c2nc(Sc3cccc(Cl)c3Cl)ccc2n1; c1cc(c(
    c(c1)Cl)Cl)Sc2ccc3c(n2)[nH]c(n3)N    		 5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine
    25586 JE8 2 C19 H22 N6 InChI=1S/C19H22N6/c1-24-7
    -2-3-13(11-24)12-25-8-6-1
    4-4-5-15(9-17(14)25)18-16
    (10-20)19(21)23-22-18/h4-
    6,8-9,13H,2-3,7,11-12H2,1
    H3,(H3,21,22,23)/t13-/m0/
    s1;
    AJRDTQMINSKQOE-ZDUSSCGKSA-N    		 CN1CCC[CH](C1)Cn2ccc3ccc(cc23)c4n[nH]c(N
    )c4C#N; CN1CCC[C@@H](C1)Cn2ccc3ccc(cc23)
    c4n[nH]c(N)c4C#N; CN1CCCC(C1)Cn2ccc3c2cc
    (cc3)c4c(c([nH]n4)N)C#N; CN1CCC[C@@H](C1
    )Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N    		 5-azanyl-3-[1-[[(3~{S})-1-methylpiperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
    25587 JE9
    CHEMBL5192803    		 1 C27 H26 F N5 O5 InChI=1S/C27H26FN5O5/c1-1
    5(35)23-11-21(24-10-19(6-
    7-32(23)24)38-27(37)31(2)
    3)26(36)30-22-9-16(14-34)
    8-20(25(22)28)17-12-29-33
    (13-17)18-4-5-18/h6-13,18
    ,34H,4-5,14H2,1-3H3,(H,30
    ,36);
    UMURGYUDULFAPH-UHFFFAOYSA-N    		 CC(=O)c1cc(c2n1ccc(c2)OC(=O)N(C)C)C(=O)N
    c3cc(cc(c3F)c4cnn(c4)C5CC5)CO; CN(C)C(=O
    )Oc1ccn2c(cc(C(=O)Nc3cc(CO)cc(c3F)c4cnn(
    c4)C5CC5)c2c1)C(C)=O    		 3-acetyl-1-((3-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate
    25588 JEA
    CHEMBL4439006    		 2 C23 H29 Cl N8 O2 InChI=1S/C23H29ClN8O2/c1-
    12-18(25)23(11-34-12)6-9-
    32(10-7-23)22-28-19-15(21
    (33)31(22)2)17(29-30-19)1
    4-5-8-26-20(16(14)24)27-1
    3-3-4-13/h5,8,12-13,18H,3
    -4,6-7,9-11,25H2,1-2H3,(H
    ,26,27)(H,29,30)/t12-,18+
    /m0/s1;
    URUPFUYPXLMTMT-KPZWWZAWSA-N    		 CC1C(C2(CCN(CC2)C3=Nc4c(c([nH]n4)c5ccnc(
    c5Cl)NC6CC6)C(=O)N3C)CO1)N; c12nnc(c1C(=
    O)N(C)C(=N2)N4CCC3(C(C(OC3)C)N)CC4)c5ccn
    c(c5Cl)NC6CC6; C[C@@H]1OCC2(CCN(CC2)C3=N
    c4n[nH]c(c5ccnc(NC6CC6)c5Cl)c4C(=O)N3C)[
    C@@H]1N; C[CH]1OCC2(CCN(CC2)C3=Nc4n[nH]c
    (c5ccnc(NC6CC6)c5Cl)c4C(=O)N3C)[CH]1N; C
    [C@H]1[C@H](C2(CCN(CC2)C3=Nc4c(c([nH]n4)
    c5ccnc(c5Cl)NC6CC6)C(=O)N3C)CO1)N    		 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
    25589 JEB
    CHEMBL4583591    		 2 C18 H14 N6 InChI=1S/C18H14N6/c19-9-1
    5-17(22-23-18(15)20)14-4-
    3-13-5-7-24(16(13)8-14)11
    -12-2-1-6-21-10-12/h1-8,1
    0H,11H2,(H3,20,22,23);
    LBFCIYHKVAYEJG-UHFFFAOYSA-N    		 c1cc(cnc1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N
    )C#N; Nc1[nH]nc(c2ccc3ccn(Cc4cccnc4)c3c2
    )c1C#N    		 5-azanyl-3-[1-(pyridin-3-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
    25590 JEC
    CHEMBL2334255
    ZINC000095590893    		 1 C25 H21 Br N2 O3 InChI=1S/C25H21BrN2O3/c26
    -19-12-14-20(15-13-19)28-
    23(18-7-2-1-3-8-18)17-22(
    27-28)21-9-4-5-10-24(21)3
    1-16-6-11-25(29)30/h1-5,7
    -10,12-15,17H,6,11,16H2,(
    H,29,30);
    WXZVIQMWLYGTHW-UHFFFAOYSA-N    		 OC(=O)CCCOc1ccccc1c2cc(n(n2)c3ccc(Br)cc3
    )c4ccccc4; c1ccc(cc1)c2cc(nn2c3ccc(cc3)B
    r)c4ccccc4OCCCC(=O)O    		 4-[2-[1-(4-bromophenyl)-5-phenyl-pyrazol-3-yl]phenoxy]butanoic acid
    25591 JED
    CHEMBL4548850
    ZINC000020492084    		 2 C20 H14 Br N3 O2 InChI=1S/C20H14BrN3O2/c1-
    11-2-4-12(5-3-11)16-10-15
    (20(25)26)17-18(23-24-19(
    17)22-16)13-6-8-14(21)9-7
    -13/h2-10H,1H3,(H,25,26)(
    H,22,23,24);
    ZSKVLMBZFPQPHV-UHFFFAOYSA-N    		 Cc1ccc(cc1)c2cc(c3c(n[nH]c3n2)c4ccc(cc4)
    Br)C(=O)O; c13c(nnc1c2ccc(Br)cc2)nc(cc3C
    (O)=O)c4ccc(C)cc4; Cc1ccc(cc1)c2cc(C(O)=
    O)c3c([nH]nc3c4ccc(Br)cc4)n2    		 3-(4-bromophenyl)-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
    25592 JEE
    CHEMBL4434796    		 2 C24 H24 N6 O InChI=1S/C24H24N6O/c25-14
    -21-23(27-28-24(21)26)20-
    6-5-19-7-8-30(22(19)13-20
    )16-18-3-1-17(2-4-18)15-2
    9-9-11-31-12-10-29/h1-8,1
    3H,9-12,15-16H2,(H3,26,27
    ,28);
    UYOMCTXSEJZTSM-UHFFFAOYSA-N    		 c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)
    C#N)CN5CCOCC5; Nc1[nH]nc(c2ccc3ccn(Cc4cc
    c(CN5CCOCC5)cc4)c3c2)c1C#N    		 5-azanyl-3-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
    25593 JEF 30 C30 H63 N O10 InChI=1S/C30H63NO10/c1-22
    (31)13-33-14-23(2)35-16-2
    5(4)37-18-27(6)39-20-29(8
    )41-21-30(9)40-19-28(7)38
    -17-26(5)36-15-24(3)34-12
    -11-32-10/h22-30H,11-21,3
    1H2,1-10H3/t22?,23-,24?,2
    5-,26?,27+,28-,29+,30?/m1
    /s1;
    ICCXIDTYQFYPNV-RUMGZKRTSA-N    		 COCCOC(C)COC(C)CO[CH](C)CO[CH](C)CO[CH](
    C)CO[CH](C)CO[CH](C)CO[CH](C)COCC(C)N; O
    (C(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C
    )COCC(N)C)CC(OCCOC)C; C[C@@H](COC[C@@H](
    C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OCC(C)O
    C[C@@H](C)OC[C@@H](C)OC[C@H](C)OCCOC)N;
    COCCOC(C)COC(C)CO[C@H](C)CO[C@H](C)CO[C@
    @H](C)CO[C@@H](C)CO[C@H](C)CO[C@H](C)COC
    C(C)N; CC(COCC(C)OCC(C)OCC(C)OCC(C)OCC(C
    )OCC(C)OCC(C)OCC(C)OCCOC)N    		 O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500);
    JEFFAMINE
    25594 JEG
    CHEMBL1437288
    ZINC000100114054    		 2 C6 H9 N O4 InChI=1S/C6H9NO4/c7-6(5(1
    0)11)1-3(2-6)4(8)9/h3H,1-
    2,7H2,(H,8,9)(H,10,11)/t3
    -,6-;
    GGMYWPBNZXRMME-HSRNZHMGSA-N    		 N[C]1(C[CH](C1)C(O)=O)C(O)=O; N[C@@]1(C[
    C@H](C1)C(O)=O)C(O)=O; C1C(CC1(C(=O)O)N)
    C(=O)O; O=C(O)C1CC(C(=O)O)(N)C1    		 trans-1-aminocyclobutane-1,3-dicarboxylic acid
    25595 JEH
    CHEMBL4567409    		 2 C27 H31 N7 InChI=1S/C27H31N7/c1-19(2
    )33-13-11-32(12-14-33)17-
    20-3-5-21(6-4-20)18-34-10
    -9-22-7-8-23(15-25(22)34)
    26-24(16-28)27(29)31-30-2
    6/h3-10,15,19H,11-14,17-1
    8H2,1-2H3,(H3,29,30,31);
    ZLJXHHAUABPXJM-UHFFFAOYSA-N    		 CC(C)N1CCN(CC1)Cc2ccc(cc2)Cn3ccc4c3cc(cc
    4)c5c(c([nH]n5)N)C#N; CC(C)N1CCN(CC1)Cc2
    ccc(Cn3ccc4ccc(cc34)c5n[nH]c(N)c5C#N)cc2    		 5-azanyl-3-[1-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
    25596 JEI 8 C15 H24 N6 O9 P2 InChI=1S/C15H24N6O9P2/c16
    -15-18-13-12(14(23)19-15)
    17-8-21(13)9-5-10(7-30-2-
    4-32(27,28)29)20(6-9)11(2
    2)1-3-31(24,25)26/h8-10H,
    1-7H2,(H2,24,25,26)(H2,27
    ,28,29)(H3,16,18,19,23)/t
    9-,10+/m1/s1;
    APDUDHYPFAMPGN-ZJUUUORDSA-N    		 c1nc2c(n1C3CC(N(C3)C(=O)CCP(=O)(O)O)COCC
    P(=O)(O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O
    )N1)[CH]3C[CH](COCC[P](O)(O)=O)N(C3)C(=O
    )CC[P](O)(O)=O; c1nc2c(n1[C@@H]3C[C@H](N
    (C3)C(=O)CCP(=O)(O)O)COCCP(=O)(O)O)N=C(N
    C2=O)N; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3C[C@
    @H](COCC[P](O)(O)=O)N(C3)C(=O)CC[P](O)(O
    )=O; O=C(CCP(=O)(O)O)N1CC(CC1COCCP(=O)(O
    )O)n1cnc2c1N=C(N)NC2=O    		 (3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid
    25597 JEJ
    CHEMBL4445754    		 2 C22 H20 Cl N3 O2 InChI=1S/C22H20ClN3O2/c1-
    25(2)13-14-8-10-15(11-9-1
    4)18-12-19-20(22(27)26(18
    )3)21(24-28-19)16-6-4-5-7
    -17(16)23/h4-12H,13H2,1-3
    H3;
    WXMDAZVVTXLFMQ-UHFFFAOYSA-N    		 c1cccc(c1Cl)c2c4c(on2)C=C(c3ccc(cc3)CN(C
    )C)N(C)C4=O; CN1C(=Cc2c(c(no2)c3ccccc3Cl
    )C1=O)c4ccc(cc4)CN(C)C; CN(C)Cc1ccc(cc1)
    C2=Cc3onc(c4ccccc4Cl)c3C(=O)N2C    		 3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5H)-one
    25598 JEK
    CHEMBL4453792    		 2 C25 H26 N6 InChI=1S/C25H26N6/c26-15-
    22-24(28-29-25(22)27)21-9
    -8-20-10-13-31(23(20)14-2
    1)17-19-6-4-18(5-7-19)16-
    30-11-2-1-3-12-30/h4-10,1
    3-14H,1-3,11-12,16-17H2,(
    H3,27,28,29);
    OKTJXLZKXVWLTD-UHFFFAOYSA-N    		 Nc1[nH]nc(c2ccc3ccn(Cc4ccc(CN5CCCCC5)cc4
    )c3c2)c1C#N; c1cc(ccc1Cn2ccc3c2cc(cc3)c4
    c(c([nH]n4)N)C#N)CN5CCCCC5    		 5-azanyl-3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
    25599 JEL
    CHEMBL5081610    		 2 C25 H19 N3 O3 InChI=1S/C25H19N3O3/c1-2-
    7-21-19(6-1)20-12-25(27-1
    4-22(20)28-21)26-13-16-4-
    3-5-17(10-16)31-18-8-9-23
    -24(11-18)30-15-29-23/h1-
    12,14,28H,13,15H2,(H,26,2
    7);
    AGUNDEAVRTZOAH-UHFFFAOYSA-N    		 C1Oc2ccc(Oc3cccc(CNc4cc5c([nH]c6ccccc56)
    cn4)c3)cc2O1; c1ccc2c(c1)c3cc(ncc3[nH]2)
    NCc4cccc(c4)Oc5ccc6c(c5)OCO6    		 N-[[3-(1,3-benzodioxol-5-yloxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine
    25600 JEN
    CHEMBL1233737
    DB08017    		 2 C16 H20 N4 O InChI=1S/C16H20N4O/c1-13-
    4-3-5-14(12-13)19-8-10-20
    (11-9-19)15-6-7-16(21-2)1
    8-17-15/h3-7,12H,8-11H2,1
    -2H3;
    DDOAUTHWSCUHQA-UHFFFAOYSA-N    		 COc1ccc(nn1)N2CCN(CC2)c3cccc(C)c3; Cc1cc
    cc(c1)N2CCN(CC2)c3ccc(nn3)OC; n1nc(ccc1O
    C)N3CCN(c2cc(ccc2)C)CC3    		 3-METHOXY-6-[4-(3-METHYLPHENYL)-1-PIPERAZINYL]PYRIDAZINE
    Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).