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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    38401
    TOZ    		 0 C8 H7 N3 O3 S InChI=1S/C8H7N3O3S/c9-1-6
    -10-5(3-15-6)7-11-4(2-14-
    7)8(12)13/h2-3H,1,9H2,(H,
    12,13);
    PULCVIHVEVCGJR-UHFFFAOYSA-N    		 NCc1scc(n1)c2occ(n2)C(O)=O; c1c(nc(o1)c2
    csc(n2)CN)C(=O)O    		 2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-oxazole-4-carboxylic acid
    38402
    TP0
    CHEMBL629
    DB00321
    ZINC000000968257    		 4 C20 H23 N InChI=1S/C20H23N/c1-21(2)
    15-7-12-20-18-10-5-3-8-16
    (18)13-14-17-9-4-6-11-19(
    17)20/h3-6,8-12H,7,13-15H
    2,1-2H3;
    KRMDCWKBEZIMAB-UHFFFAOYSA-N    		 CN(C)CCC=C1c2ccccc2CCc3ccccc13; c3cc2c(/
    C(c1c(cccc1)CC2)=C/CCN(C)C)cc3; CN(C)CCC
    =C1c2ccccc2CCc3c1cccc3    		 Amitriptyline;
    3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine
    38403
    TP1
    ZINC000033508844    		 0 C12 H18 N4 O5 InChI=1S/C12H18N4O5/c1-8-
    5-16(12(21)14-11(8)20)6-9
    (17)15(4-3-13-2)7-10(18)1
    9/h5,13H,3-4,6-7H2,1-2H3,
    (H,18,19)(H,14,20,21);
    ZKSFEIQNOYBLHG-UHFFFAOYSA-N    		 O=C(N(CC(=O)O)CCNC)CN1C=C(C(=O)NC1=O)C;
    CC1=CN(C(=O)NC1=O)CC(=O)N(CCNC)CC(=O)O;
    CNCCN(CC(O)=O)C(=O)CN1C=C(C)C(=O)NC1=O    		 2-(METHYLAMINO)-ETHYLGLYCINE-CARBONYLMETHYLENE-THYMINE
    38404
    TP2
    DB03818
    ZINC000005889105    		 4 C14 H20 N2 O3 S2 InChI=1S/C14H20N2O3S2/c1-
    11-4-6-12(7-5-11)21(18,19
    )16-9-2-3-13(16)14(17)15-
    8-10-20/h4-7,13,20H,2-3,8
    -10H2,1H3,(H,15,17)/t13-/
    m1/s1;
    NWUYDTGYTUQMDG-CYBMUJFWSA-N    		 Cc1ccc(cc1)[S](=O)(=O)N2CCC[C@@H]2C(=O)N
    CCS; O=C(NCCS)C2N(S(=O)(=O)c1ccc(cc1)C)C
    CC2; Cc1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)NCC
    S; Cc1ccc(cc1)S(=O)(=O)[N@]2CCC[C@@H]2C(
    =O)NCCS; Cc1ccc(cc1)[S](=O)(=O)N2CCC[CH]
    2C(=O)NCCS    		 N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL
    38405
    TP3
    CHEMBL325414
    DB04503
    ZINC000003870988    		 2 C17 H20 N2 O9 S InChI=1S/C17H20N2O9S/c20-
    14(21)8-7-12(16(23)24)18-
    15(22)10-3-5-11(6-4-10)29
    (27,28)19-9-1-2-13(19)17(
    25)26/h3-6,12-13H,1-2,7-9
    H2,(H,18,22)(H,20,21)(H,2
    3,24)(H,25,26)/t12-,13+/m
    0/s1;
    NDDOUBGQRWFVQM-QWHCGFSZSA-N    		 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(
    =O)(=O)[N@]2CCC[C@@H]2C(=O)O; OC(=O)CC[C
    H](NC(=O)c1ccc(cc1)[S](=O)(=O)N2CCC[CH]2
    C(O)=O)C(O)=O; OC(=O)CC[C@H](NC(=O)c1ccc
    (cc1)[S](=O)(=O)N2CCC[C@@H]2C(O)=O)C(O)=
    O; O=C(O)C2N(S(=O)(=O)c1ccc(C(=O)NC(C(=O
    )O)CCC(=O)O)cc1)CCC2; c1cc(ccc1C(=O)NC(C
    CC(=O)O)C(=O)O)S(=O)(=O)N2CCCC2C(=O)O    		 4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINE;
    SP-722
    38406
    TP4
    CHEMBL418875
    DB03558
    ZINC000003874330    		 2 C20 H25 N3 O10 S InChI=1S/C20H25N3O10S/c24
    -16(25)8-7-14(20(30)31)22
    -18(28)12-3-5-13(6-4-12)3
    4(32,33)23-11-1-2-15(23)1
    9(29)21-10-9-17(26)27/h3-
    6,14-15H,1-2,7-11H2,(H,21
    ,29)(H,22,28)(H,24,25)(H,
    26,27)(H,30,31)/t14-,15+/
    m0/s1;
    SRAHBOKVSSZEHQ-LSDHHAIUSA-N    		 O=C(NCCC(=O)O)C2N(S(=O)(=O)c1ccc(C(=O)NC
    (C(=O)O)CCC(=O)O)cc1)CCC2; c1cc(ccc1C(=O
    )NC(CCC(=O)O)C(=O)O)S(=O)(=O)N2CCCC2C(=O
    )NCCC(=O)O; OC(=O)CCNC(=O)[CH]1CCCN1[S](
    =O)(=O)c2ccc(cc2)C(=O)N[CH](CCC(O)=O)C(O
    )=O; OC(=O)CCNC(=O)[C@H]1CCCN1[S](=O)(=O
    )c2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O;
    c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S
    (=O)(=O)[N@]2CCC[C@@H]2C(=O)NCCC(=O)O    		 N-[4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PROLINYL]-3-AMINO-PROPANOIC ACID;
    SP-876
    38407
    TP5
    ZINC000000161834    		 5 C5 H6 N2 S InChI=1S/C5H6N2S/c6-5(7)4
    -1-2-8-3-4/h1-3H,(H3,6,7);
    JKCKRNYECSTMLV-UHFFFAOYSA-N    		 [H]/N=C(\c1ccsc1)/N; [N@H]=C(N)c1ccsc1;
    [H]N=C(c1ccsc1)N; NC(=N)c1cscc1    		 THIOPHENE-3-CARBOXIMIDAMIDE
    38408
    TP6
    ZINC000036748846    		 10 C15 H25 N4 O11 P InChI=1S/C15H25N4O11P/c20
    -7-9(22)11(23)8(21)6-19-1
    2-10(13(24)17-14(25)16-12
    )18(15(19)26)4-2-1-3-5-30
    -31(27,28)29/h8-9,11,20-2
    3H,1-7H2,(H2,27,28,29)(H2
    ,16,17,24,25)/t8-,9-,11+/
    m1/s1;
    LVMWQWUPWMYMKX-KKZNHRDASA-N    		 C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@
    @H]([C@@H](CO)O)O)O)CCOP(=O)(O)O; OC[CH]
    (O)[CH](O)[CH](O)CN1C(=O)N(CCCCCO[P](O)(
    O)=O)C2=C1NC(=O)NC2=O; O=C1C2=C(NC(=O)N1
    )N(C(=O)N2CCCCCOP(=O)(O)O)CC(O)C(O)C(O)C
    O; C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)CC(C(C(
    CO)O)O)O)CCOP(=O)(O)O; OC[C@@H](O)[C@@H]
    (O)[C@H](O)CN1C(=O)N(CCCCCO[P](O)(O)=O)C
    2=C1NC(=O)NC2=O    		 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1-PHOSPHATE
    38409
    TP7
    ZINC000003869535    		 192 C11 H22 N O7 P S InChI=1S/C11H22NO7PS/c1-8
    (19-20(16,17)18)10(11(14)
    15)12-9(13)6-4-2-3-5-7-21
    /h8,10,21H,2-7H2,1H3,(H,1
    2,13)(H,14,15)(H2,16,17,1
    8)/t8-,10+/m1/s1;
    JBJSVEVEEGOEBZ-SCZZXKLOSA-N    		 C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O
    )(O)O; CC(C(C(=O)O)NC(=O)CCCCCCS)OP(=O)(
    O)O; C[C@@H](O[P](O)(O)=O)[C@H](NC(=O)CC
    CCCCS)C(O)=O; C[CH](O[P](O)(O)=O)[CH](NC
    (=O)CCCCCCS)C(O)=O    		 Coenzyme B;
    7-MERCAPTOHEPTANOYLTHREONINEPHOSPHATE
    38410
    TP8    		 2 C15 H21 N4 O12 P3 S InChI=1S/C15H23N4O12P3S/c
    1-9-13(4-6-30-34(27,28)31
    -33(24,25)26)35-15(12(20)
    3-5-29-32(21,22)23)19(9)8
    -11-7-17-10(2)18-14(11)16
    /h3,7,11,16H,4-6,8H2,1-2H
    3,(H5-,20,21,22,23,24,25,
    26,27,28)/p-2/b12-3-,16-1
    4+;
    IYJJFPCOWJABBY-AOCMNYQTSA-L    		 CC1=NC(=N)[C@@H](C[n+]2c(C)c(CCO[P]([O-]
    )(=O)O[P](O)([O-])=O)sc2\C(O)=C\CO[P](O)
    ([O-])=O)C=N1; [H]/N=C/1\[C@H](C=NC(=N1)
    C)C[n+]2c(c(sc2/C(=C/CO[P@](=O)(O)[O-])/
    O)CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])C;
    CC1=NC(=N)[CH](C[n+]2c(C)c(CCO[P]([O-])(
    =O)O[P](O)([O-])=O)sc2C(O)=CCO[P](O)([O-
    ])=O)C=N1; [H]N=C1C(C=NC(=N1)C)C[n+]2c(c
    (sc2C(=CCOP(=O)(O)[O-])O)CCOP(=O)([O-])O
    P(=O)(O)[O-])C    		 5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-2-[(1Z)-1-HYDROXY-3-(PHOSPHONOOXY)PROP-1-EN-1-YL]-3-{[(4Z)-4-IMINO-2- METHYL-4,5-DIHYDROPYRIMIDIN-5-YL]METHYL}-4-METHYL-1,3-THIAZOL-3-IUM;
    PUTATIVE ENOL(ATE)-THDP REACTION INTERMEDIATE
    38411
    TP9    		 23 C11 H18 N4 O7 P2 S InChI=1S/C11H20N4O7P2S/c1
    -7(13-5-9-6-14-8(2)15-11(
    9)12)10(25)3-4-21-24(19,2
    0)22-23(16,17)18/h6,13,25
    H,3-5H2,1-2H3,(H,19,20)(H
    2,12,14,15)(H2,16,17,18)/
    p-2/b10-7-;
    WTQDUFKDQLXDPH-YFHOEESVSA-L    		 Cc1ncc(c(n1)N)CN/C(=C(/CCO[P@](=O)([O-])
    O[P@@](=O)(O)[O-])\S)/C; CC(NCc1cnc(C)nc
    1N)=C(S)CCO[P]([O-])(=O)O[P](O)([O-])=O;
    CC(/NCc1cnc(C)nc1N)=C(/S)CCO[P]([O-])(=
    O)O[P](O)([O-])=O; Cc1ncc(c(n1)N)CNC(=C(
    CCOP(=O)([O-])OP(=O)(O)[O-])S)C    		 (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE
    38412
    TPA    		 2 C9 H12 N InChI=1S/C9H11N/c10-9-6-8
    (9)7-4-2-1-3-5-7/h1-5,8-9
    H,6,10H2/p+1/t8-,9+/m1/s1;
    AELCINSCMGFISI-BDAKNGLRSA-O    		 c1ccc(cc1)C2CC2[NH3+]; [NH3+][CH]1C[CH]1
    c2ccccc2; c1ccc(cc1)[C@H]2C[C@@H]2[NH3+]
    ; c1cccc(c1)C2CC2[NH3+]; [NH3+][C@H]1C[C
    @@H]1c2ccccc2    		 TRANS-2-PHENYLCYCLOPROPYLAMINE
    38413
    TPB
    CHEMBL70663
    DB08639
    ZINC000000007761    		 1 C20 H19 N5 InChI=1S/C20H19N5/c1-13-1
    0-14(2)19(15(3)11-13)24-1
    8-8-9-22-20(25-18)23-17-6
    -4-16(12-21)5-7-17/h4-11H
    ,1-3H3,(H2,22,23,24,25);
    ILAYIAGXTHKHNT-UHFFFAOYSA-N    		 Cc1cc(C)c(Nc2ccnc(Nc3ccc(cc3)C#N)n2)c(C)
    c1; N#Cc1ccc(cc1)Nc2nc(ccn2)Nc3c(cc(cc3C
    )C)C; Cc1cc(c(c(c1)C)Nc2ccnc(n2)Nc3ccc(c
    c3)C#N)C    		 4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-PYRIMIDIN-2-YLAMINO]-BENZONITRILE
    38414
    TPC    		 0 C9 H14 N3 O6 P S InChI=1S/C9H14N3O6PS/c10-
    7-1-2-12(9(14)11-7)8-3-5(
    13)6(18-8)4-20-19(15,16)1
    7/h1-2,5-6,8,13H,3-4H2,(H
    2,10,11,14)(H2,15,16,17)/
    t5-,6+,8+/m0/s1;
    MECRPJIAIGIPSF-SHYZEUOFSA-N    		 C1C(C(OC1N2C=CC(=NC2=O)N)CSP(=O)(O)O)O;
    C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CS
    P(=O)(O)O)O; NC1=NC(=O)N(C=C1)[CH]2C[CH]
    (O)[CH](CS[P](O)(O)=O)O2; NC1=NC(=O)N(C=
    C1)[C@H]2C[C@H](O)[C@@H](CS[P](O)(O)=O)O
    2; O=P(O)(O)SCC2OC(N1C(=O)N=C(N)C=C1)CC2
    O    		 5'-THIO-2'-DEOXY-CYTOSINE PHOSPHONIC ACID
    38415
    TPD
    DB02986
    ZINC000002047847    		 1 C9 H10 N2 O4 S4 InChI=1S/C9H10N2O4S4/c10-
    18(12,13)8-3-4-9(17-8)19(
    14,15)11-6-7-2-1-5-16-7/h
    1-5,11H,6H2,(H2,10,12,13);
    STOTVDLYLKWVJB-UHFFFAOYSA-N    		 c1cc(sc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N;
    N[S](=O)(=O)c1sc(cc1)[S](=O)(=O)NCc2scc
    c2; O=S(=O)(c1sc(cc1)S(=O)(=O)NCc2sccc2)
    N    		 N-(2-THIENYLMETHYL)-2,5-THIOPHENEDISULFONAMIDE
    38416
    TPE
    ZINC000058655548    		 2 C18 H22 N2 O12 P2 InChI=1S/C18H22N2O12P2/c1
    -11-9-20(18(23)19-17(11)2
    2)16-8-14(29-12(2)21)15(3
    0-16)10-28-33(24,25)32-34
    (26,27)31-13-6-4-3-5-7-13
    /h3-7,9,14-16H,8,10H2,1-2
    H3,(H,24,25)(H,26,27)(H,1
    9,22,23)/t14-,15+,16+/m0/
    s1;
    FBXZTUIVKSOQAY-ARFHVFGLSA-N    		 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2
    )CO[P@@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)OC
    (=O)C; CC(=O)O[CH]1C[CH](O[CH]1CO[P](O)(
    =O)O[P](O)(=O)Oc2ccccc2)N3C=C(C)C(=O)NC3
    =O; CC(=O)O[C@H]1C[C@@H](O[C@@H]1CO[P@](
    O)(=O)O[P@](O)(=O)Oc2ccccc2)N3C=C(C)C(=O
    )NC3=O; O=P(O)(Oc1ccccc1)OP(=O)(O)OCC3OC
    (N2C(=O)NC(=O)C(=C2)C)CC3OC(=O)C; CC1=CN
    (C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O
    )Oc3ccccc3)OC(=O)C    		 3'-O-ACETYLTHYMIDINE-(5' DIPHOSPHATE PHENYL ESTER)
    38417
    TPF
    CHEMBL106
    DB00196
    ZINC000000004009    		 28 C13 H12 F2 N6 O InChI=1S/C13H12F2N6O/c14-
    10-1-2-11(12(15)3-10)13(2
    2,4-20-8-16-6-18-20)5-21-
    9-17-7-19-21/h1-3,6-9,22H
    ,4-5H2;
    RFHAOTPXVQNOHP-UHFFFAOYSA-N    		 Fc1ccc(c(F)c1)C(O)(Cn2ncnc2)Cn3ncnc3; OC
    (Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F; c1cc(c
    (cc1F)F)C(Cn2cncn2)(Cn3cncn3)O    		 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL;
    FLUCONAZOLE;
    ALPHA-(2,4-DIFLUOROPHENYL)-ALPHA-(1H-1,2,4-TRIAZOLE-1-YLMETHYL)-1H-1,2,4-TRIAZOLE-1-ETHANOL;
    ELAZOR;
    TRIFLUCAN;
    BIOZOLENE
    38418
    TPG
    ZINC000263620922    		 1 C23 H35 N10 O18 P3 InChI=1S/C23H35N10O18P3/c
    1-30(2)23-27-17-11(19(39)
    29-23)31(3)7-33(17)21-15(
    37)13(35)9(49-21)5-47-53(
    42,43)51-54(44,45)50-52(4
    0,41)46-4-8-12(34)14(36)2
    0(48-8)32-6-25-10-16(32)2
    6-22(24)28-18(10)38/h6,8-
    9,12-15,20-21,34-37H,4-5,
    7H2,1-3H3,(H,40,41)(H,42,
    43)(H,44,45)(H,27,29,39)(
    H3,24,26,28,38)/t8-,9-,12
    -,13-,14-,15-,20-,21-/m1/
    s1;
    QBEUSSFUVVPDGT-NAGRZYTCSA-N    		 CN(C)C1=NC2=C(N(C)CN2[CH]3O[CH](CO[P](O)
    (=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([
    CH](O)[CH]4O)n5cnc6C(=O)NC(=Nc56)N)[CH](
    O)[CH]3O)C(=O)N1; CN1CN(C2=C1C(=O)NC(=N2
    )N(C)C)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(
    =O)(O)OCC4C(C(C(O4)n5cnc6c5N=C(NC6=O)N)O
    )O)O)O; CN(C)C1=NC2=C(N(C)CN2[C@@H]3O[C@
    H](CO[P@@](O)(=O)O[P@](O)(=O)O[P@](O)(=O
    )OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6C
    (=O)NC(=Nc56)N)[C@@H](O)[C@H]3O)C(=O)N1;
    CN1CN(C2=C1C(=O)NC(=N2)N(C)C)[C@H]3[C@@
    H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=
    O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([
    C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O    		 2,2,7-TRIMETHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE
    38419
    TPH    		 0 C9 H13 N O2 InChI=1/C9H13NO2/c10-8(9(
    11)12)6-7-4-2-1-3-5-7/h1-
    5,8-9,11-12H,6,10H2/t8-/m
    0/s1;
    IFTWVTAUEXLCHB-QMMMGPOBBQ    		 N[C@@H](Cc1ccccc1)C(O)O; c1ccc(cc1)CC(C(
    O)O)N; c1ccc(cc1)C[C@@H](C(O)O)N; N[CH](
    Cc1ccccc1)C(O)O; OC(O)C(N)Cc1ccccc1    		 2-AMINO-3-PHENYL-PROPANE-1,1-DIOL GROUP
    38420
    TPI
    DB03714
    ZINC000002047328    		 1 C17 H17 F2 N2 O7 P InChI=1S/C17H17F2N2O7P/c1
    8-17(19,29(26,27)28)12-4-
    3-9-7-11(2-1-10(9)8-12)16
    (25)21-13(15(20)24)5-6-14
    (22)23/h1-4,7-8,13H,5-6H2
    ,(H2,20,24)(H,21,25)(H,22
    ,23)(H2,26,27,28)/t13-/m0
    /s1;
    OWWCIKSGGKYNHT-ZDUSSCGKSA-N    		 NC(=O)[CH](CCC(O)=O)NC(=O)c1ccc2cc(ccc2c
    1)C(F)(F)[P](O)(O)=O; c1cc(cc2c1cc(cc2)C
    (F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(
    =O)N; NC(=O)[C@H](CCC(O)=O)NC(=O)c1ccc2c
    c(ccc2c1)C(F)(F)[P](O)(O)=O; O=C(N)C(NC(
    =O)c1ccc2c(c1)ccc(c2)C(F)(F)P(=O)(O)O)CC
    C(=O)O; c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)
    O)C(=O)NC(CCC(=O)O)C(=O)N    		 4-CARBAMOYL-4-{[6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBONYL]-AMINO}-BUTYRIC ACID
    38421
    TPJ    		 0 C9 H17 N O2 InChI=1S/C9H17NO2/c1-9(2,
    3)7-5-4-6(10-7)8(11)12/h6
    -7,10H,4-5H2,1-3H3,(H,11,
    12)/t6-,7+/m0/s1;
    ARIXRQYKVWBGSB-NKWVEPMBSA-N    		 CC(C)(C)[C@H]1CC[C@H](N1)C(O)=O; O=C(O)C
    1NC(C(C)(C)C)CC1; CC(C)(C)C1CCC(N1)C(=O)
    O; CC(C)(C)[C@H]1CC[C@H](N1)C(=O)O; CC(C
    )(C)[CH]1CC[CH](N1)C(O)=O    		 (5R)-5-tert-butyl-L-proline
    38422
    TPK    		 0 C6 H13 N O2 InChI=1S/C6H13NO2/c8-4-6(
    9)5-2-1-3-7-5/h5-9H,1-4H2
    /t5-,6-/m0/s1;
    ABWTVUOTCCJBBM-WDSKDSINSA-N    		 OC[CH](O)[CH]1CCCN1; C1CC(NC1)C(CO)O; OC
    [C@H](O)[C@@H]1CCCN1; C1C[C@H](NC1)[C@H]
    (CO)O; C(O)(CO)C1CCCN1    		 (1R)-1-[(2S)-pyrrolidin-2-yl]ethane-1,2-diol
    38423
    TPL
    CHEMBL1222398
    DB04236
    ZINC000000403176    		 0 C11 H14 N2 O InChI=1S/C11H14N2O/c12-9(
    7-14)5-8-6-13-11-4-2-1-3-
    10(8)11/h1-4,6,9,13-14H,5
    ,7,12H2/t9-/m0/s1;
    UDQCRUSSQAXPJY-VIFPVBQESA-N    		 N[CH](CO)Cc1c[nH]c2ccccc12; N[C@H](CO)Cc
    1c[nH]c2ccccc12; c1ccc2c(c1)c(c[nH]2)C[C
    @@H](CO)N; OCC(N)Cc2c1ccccc1nc2; c1ccc2c
    (c1)c(c[nH]2)CC(CO)N    		 TRYPTOPHANOL;
    2-AMINO-3-(1H-INDOL-3-YL)-PROPAN-1-OL
    38424
    TPM    		 4 C12 H18 N3 InChI=1S/C12H17N3/c13-11-
    6-4-10(5-7-11)9-15-12-3-1
    -2-8-14-12/h4-7H,1-3,8-9,
    13H2,(H,14,15)/p+1;
    FWTCHDHYLQERRE-UHFFFAOYSA-O    		 c1cc(ccc1CNC2=[NH+]CCCC2)N; Nc1ccc(CNC2=
    [NH+]CCCC2)cc1; c1(ccc(N)cc1)CNC2=[NH+]C
    CCC2    		 2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM
    38425
    TPN    		 0 C11 H17 N4 O5 InChI=1S/C11H16N4O5/c1-7-
    4-15(11(20)13-10(7)19)5-8
    (16)14(3-2-12)6-9(17)18/h
    4H,2-3,5-6,12H2,1H3,(H,17
    ,18)(H,13,19,20)/p+1;
    NSCRQJLBPSKCNK-UHFFFAOYSA-O    		 CC1=CN(C(=O)NC1=O)CC(=O)N(CC[NH3+])CC(=O
    )O; O=C(N(CC(=O)O)CC[NH3+])CN1C=C(C(=O)N
    C1=O)C; CC1=CN(CC(=O)N(CC[NH3+])CC(O)=O)
    C(=O)NC1=O    		 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-THYMINE
    38426
    TPO
    ZINC000001532464    		 8 C4 H10 N O6 P InChI=1S/C4H10NO6P/c1-2(3
    (5)4(6)7)11-12(8,9)10/h2-
    3H,5H2,1H3,(H,6,7)(H2,8,9
    ,10)/t2-,3+/m1/s1;
    USRGIUJOYOXOQJ-GBXIJSLDSA-N    		 C[CH](O[P](O)(O)=O)[CH](N)C(O)=O; C[C@@H
    ](O[P](O)(O)=O)[C@H](N)C(O)=O; O=P(O)(O)
    OC(C(N)C(=O)O)C; CC(C(C(=O)O)N)OP(=O)(O)
    O; C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O    		 PHOSPHOTHREONINE;
    PHOSPHONOTHREONINE
    38427
    TPP
    CHEMBL1236376
    ZINC000008215517    		 1513 C12 H19 N4 O7 P2 S InChI=1S/C12H18N4O7P2S/c1
    -8-11(3-4-22-25(20,21)23-
    24(17,18)19)26-7-16(8)6-1
    0-5-14-9(2)15-12(10)13/h5
    ,7H,3-4,6H2,1-2H3,(H4-,13
    ,14,15,17,18,19,20,21)/p+
    1;
    AYEKOFBPNLCAJY-UHFFFAOYSA-O    		 Cc1ncc(C[n+]2csc(CCO[P@@](O)(=O)O[P](O)(
    O)=O)c2C)c(N)n1; Cc1c(sc[n+]1Cc2cnc(nc2N
    )C)CCO[P@](=O)(O)OP(=O)(O)O; Cc1c(sc[n+]
    1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)O; Cc
    1ncc(C[n+]2csc(CCO[P](O)(=O)O[P](O)(O)=O
    )c2C)c(N)n1; O=P(O)(O)OP(=O)(O)OCCc1sc[n
    +](c1C)Cc2c(nc(nc2)C)N    		 THIAMINE DIPHOSPHATE
    38428
    TPQ
    DB04334    		 0 C9 H9 N O5 InChI=1S/C9H9NO5/c10-5(9(
    14)15)1-4-2-7(12)8(13)3-6
    (4)11/h2-3,5,13H,1,10H2,(
    H,14,15)/t5-/m0/s1;
    AGMJSPIGDFKRRO-YFKPBYRVSA-N    		 C1=C(C(=O)C=C(C1=O)O)C[C@@H](C(=O)O)N; N
    [CH](CC1=CC(=O)C(=CC1=O)O)C(O)=O; N[C@@H
    ](CC1=CC(=O)C(=CC1=O)O)C(O)=O; C1=C(C(=O
    )C=C(C1=O)O)CC(C(=O)O)N; O=C1C(=CC(=O)C(
    O)=C1)CC(C(=O)O)N    		 5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-1,4-BENZOQUINONE;
    5-(2-CARBOXY-2-AMINOETHYL)-4-HYDROXY-1,2-BENZOQUINONE;
    2,4,5-TRIHYDROXYPHENYLALANINE QUINONE;
    TOPA QUINONE
    38429
    TPR
    CHEMBL334226
    DB02752
    ZINC000000063280    		 2 C12 H15 N O4 S InChI=1S/C12H15NO4S/c1-9-
    4-6-10(7-5-9)18(16,17)13-
    8-2-3-11(13)12(14)15/h4-7
    ,11H,2-3,8H2,1H3,(H,14,15
    )/t11-/m1/s1;
    CGPHGPCHVUSFFA-LLVKDONJSA-N    		 O=C(O)C2N(S(=O)(=O)c1ccc(cc1)C)CCC2; Cc1
    ccc(cc1)[S](=O)(=O)N2CCC[CH]2C(O)=O; Cc1
    ccc(cc1)S(=O)(=O)N2CCCC2C(=O)O; Cc1ccc(c
    c1)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)O; Cc1cc
    c(cc1)[S](=O)(=O)N2CCC[C@@H]2C(O)=O    		 TOSYL-D-PROLINE
    38430
    TPS
    CHEMBL1236378
    ZINC000001532839    		 29 C12 H18 N4 O4 P S InChI=1S/C12H17N4O4PS/c1-
    8-11(3-4-20-21(17,18)19)2
    2-7-16(8)6-10-5-14-9(2)15
    -12(10)13/h5,7H,3-4,6H2,1
    -2H3,(H3-,13,14,15,17,18,
    19)/p+1;
    HZSAJDVWZRBGIF-UHFFFAOYSA-O    		 Cc1ncc(C[n+]2csc(CCO[P](O)(O)=O)c2C)c(N)
    n1; Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O
    )O; O=P(O)(O)OCCc1sc[n+](c1C)Cc2c(nc(nc2
    )C)N    		 THIAMIN PHOSPHATE
    38431
    TPT
    DB01912    		 13 C15 H11 Cl N3 Pt InChI=1S/C15H11N3.ClH.Pt/
    c1-3-10-16-12(6-1)14-8-5-
    9-15(18-14)13-7-2-4-11-17
    -13;;/h1-11H;1H;/q;;+2/p-
    1;
    XTQMQLRZXBEQCS-UHFFFAOYSA-M    		 C1=CC=[N]2C(=C1)C3=CC=CC4=[N]3[Pt+]2([N]
    5=C4C=CC=C5)Cl; Cl[Pt+]|1|2|n3ccccc3c4cc
    cc(n|14)c5ccccn|25; Cl[Pt+]35n1ccccc1c4c
    ccc(c2ccccn23)n45    		 2,2':6',2''-TERPYRIDINE PLATINUM(II) Chloride
    38432
    TPU
    ZINC000035299603    		 24 C11 H18 N6 O7 P2 InChI=1S/C11H18N6O7P2/c1-
    7-10(3-4-23-26(21,22)24-2
    5(18,19)20)15-16-17(7)6-9
    -5-13-8(2)14-11(9)12/h5H,
    3-4,6H2,1-2H3,(H,21,22)(H
    2,12,13,14)(H2,18,19,20);
    WHMXQEYVWLIXHH-UHFFFAOYSA-N    		 O=P(O)(O)OP(=O)(OCCc1nnn(c1C)Cc2cnc(nc2N
    )C)O; Cc1c(nnn1Cc2cnc(nc2N)C)CCO[P@](=O)
    (O)OP(=O)(O)O; Cc1c(nnn1Cc2cnc(nc2N)C)CC
    OP(=O)(O)OP(=O)(O)O; Cc1ncc(Cn2nnc(CCO[P
    ](O)(=O)O[P](O)(O)=O)c2C)c(N)n1    		 2-{1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-METHYL-1H-1,2,3-TRIAZOL-4-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
    38433
    TPV
    CHEMBL222559
    DB00932
    ZINC000100016058    		 22 C31 H33 F3 N2 O5 S InChI=1S/C31H33F3N2O5S/c1
    -3-16-30(17-15-21-9-6-5-7
    -10-21)19-26(37)28(29(38)
    41-30)25(4-2)22-11-8-12-2
    4(18-22)36-42(39,40)27-14
    -13-23(20-35-27)31(32,33)
    34/h5-14,18,20,25,36-37H,
    3-4,15-17,19H2,1-2H3/t25-
    ,30-/m1/s1;
    SUJUHGSWHZTSEU-FYBSXPHGSA-N    		 CCC[C@@]1(CCc2ccccc2)CC(=C([C@H](CC)c3cc
    cc(N[S](=O)(=O)c4ccc(cn4)C(F)(F)F)c3)C(=
    O)O1)O; CCCC1(CC(=C(C(=O)O1)C(CC)c2cccc(
    c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4cc
    ccc4; CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2
    cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)C
    Cc4ccccc4; CCC[C]1(CCc2ccccc2)CC(=C([CH]
    (CC)c3cccc(N[S](=O)(=O)c4ccc(cn4)C(F)(F)
    F)c3)C(=O)O1)O; FC(F)(F)c1ccc(nc1)S(=O)(
    =O)Nc2cccc(c2)C(C=3C(=O)OC(CCC)(CC=3O)CC
    c4ccccc4)CC    		 N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE;
    TIPRANAVIR
    38434
    TPW
    CHEMBL1236381
    ZINC000038653211    		 47 C13 H19 N3 O7 P2 S InChI=1S/C13H19N3O7P2S/c1
    -8-11(5-10-6-15-9(2)16-13
    (10)14)7-26-12(8)3-4-22-2
    5(20,21)23-24(17,18)19/h6
    -7H,3-5H2,1-2H3,(H,20,21)
    (H2,14,15,16)(H2,17,18,19
    );
    IOGGWTLVIZLGGZ-UHFFFAOYSA-N    		 O=P(O)(O)OP(=O)(O)OCCc1scc(c1C)Cc2c(nc(n
    c2)C)N; Cc1ncc(Cc2csc(CCO[P](O)(=O)O[P](
    O)(O)=O)c2C)c(N)n1; Cc1ncc(Cc2csc(CCO[P@
    ](O)(=O)O[P](O)(O)=O)c2C)c(N)n1; Cc1c(cs
    c1CCOP(=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C; C
    c1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc
    (nc2N)C    		 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE;
    3-DEAZA-THDP
    38435
    TPX
    DB08640
    ZINC000003870379    		 3 C14 H19 N O5 S InChI=1S/C14H19NO5S/c1-3-
    11(9-16)13(14(17)18)8-15-
    21(19,20)12-6-4-10(2)5-7-
    12/h4-7,9,11,13,15H,3,8H2
    ,1-2H3,(H,17,18)/t11-,13-
    /m1/s1;
    IDDWUPNJUMHKFQ-DGCLKSJQSA-N    		 CCC(C=O)C(CNS(=O)(=O)c1ccc(cc1)C)C(=O)O;
    CC[C@H](C=O)[C@@H](CN[S](=O)(=O)c1ccc(C
    )cc1)C(O)=O; CC[C@H](C=O)[C@@H](CNS(=O)(
    =O)c1ccc(cc1)C)C(=O)O; CC[CH](C=O)[CH](C
    N[S](=O)(=O)c1ccc(C)cc1)C(O)=O; O=S(=O)(
    c1ccc(cc1)C)NCC(C(=O)O)C(C=O)CC    		 (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID
    38436
    TPY
    DB08641
    ZINC000003870383    		 3 C13 H16 N2 O7 S InChI=1S/C13H16N2O7S/c1-2
    -9(8-16)12(13(17)18)7-14-
    23(21,22)11-5-3-10(4-6-11
    )15(19)20/h3-6,8-9,12,14H
    ,2,7H2,1H3,(H,17,18)/t9-,
    12-/m1/s1;
    JPQYVEFTAZEPOD-BXKDBHETSA-N    		 CC[C@H](C=O)[C@@H](CNS(=O)(=O)c1ccc(cc1)
    [N+](=O)[O-])C(=O)O; CCC(C=O)C(CNS(=O)(=
    O)c1ccc(cc1)[N+](=O)[O-])C(=O)O; CC[C@H]
    (C=O)[C@@H](CN[S](=O)(=O)c1ccc(cc1)[N+](
    [O-])=O)C(O)=O; CC[CH](C=O)[CH](CN[S](=O
    )(=O)c1ccc(cc1)[N+]([O-])=O)C(O)=O; O=S(
    =O)(NCC(C(=O)O)C(C=O)CC)c1ccc([N+]([O-])
    =O)cc1    		 (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID
    38437
    TPZ
    ZINC000058633677    		 6 C9 H18 N O7 P S InChI=1S/C9H18NO7PS/c1-6(
    17-18(14,15)16)8(9(12)13)
    10-7(11)4-2-3-5-19/h6,8,1
    9H,2-5H2,1H3,(H,10,11)(H,
    12,13)(H2,14,15,16)/t6-,8
    +/m1/s1;
    PXLGZPNRHROFQI-SVRRBLITSA-N    		 CC(C(C(=O)O)NC(=O)CCCCS)OP(=O)(O)O; C[CH
    ](O[P](O)(O)=O)[CH](NC(=O)CCCCS)C(O)=O;
    C[C@@H](O[P](O)(O)=O)[C@H](NC(=O)CCCCS)C
    (O)=O; O=C(NC(C(=O)O)C(OP(=O)(O)O)C)CCCC
    S; C[C@H]([C@@H](C(=O)O)NC(=O)CCCCS)OP(=
    O)(O)O    		 O-phosphono-N-(5-sulfanylpentanoyl)-L-threonine
    38438
    TQ0    		 2 C16 H16 N O5 InChI=1S/C16H15NO5/c1-9-4
    -5-12(10(2)6-9)15(18)11-7
    -13(17(20)21)16(19)14(8-1
    1)22-3/h4-8H,1-3H3,(H-,18
    ,19,20,21)/p+1;
    DDLHFEDFRNYHQX-UHFFFAOYSA-O    		 Cc1ccc(c(c1)C)C(=O)c2cc(c(c(c2)OC)O)[N+]
    (=O)O; COc1cc(cc(c1O)[N+](O)=O)C(=O)c2cc
    c(C)cc2C    		 (2,4-dimethylphenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone
    38439
    TQ1
    CHEMBL2012881
    ZINC000084602631    		 1 C15 H12 N4 O2 InChI=1S/C15H12N4O2/c20-8
    -10-7-14-17-18-15(21)19(1
    4)13-6-9(3-4-11(10)13)12-
    2-1-5-16-12/h1-7,16,20H,8
    H2,(H,18,21);
    FEKDFTQZRBQDGS-UHFFFAOYSA-N    		 c1cc([nH]c1)c2ccc3c(c2)N4C(=NNC4=O)C=C3C
    O; O=C1N2c4c(C(=CC2=NN1)CO)ccc(c3cccn3)c
    4; OCC1=CC2=NNC(=O)N2c3cc(ccc13)c4[nH]cc
    c4    		 5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE
    38440
    TQ2
    CHEMBL5277931
    ZINC000095921140    		 1 C24 H27 N O3 InChI=1S/C24H27NO3/c1-14-
    11-12-17(13-15(14)2)21-18
    -9-7-8-10-19(18)25-16(3)2
    0(21)22(23(26)27)28-24(4,
    5)6/h7-13,22H,1-6H3,(H,26
    ,27)/t22-/m0/s1;
    HGSMBBVZYWHGQB-QFIPXVFZSA-N    		 O=C(O)C(OC(C)(C)C)c1c(c2ccccc2nc1C)c3ccc
    (c(c3)C)C; Cc1ccc(cc1C)c2c3ccccc3nc(C)c2
    [C@H](OC(C)(C)C)C(O)=O; Cc1ccc(cc1C)c2c3
    ccccc3nc(c2C(C(=O)O)OC(C)(C)C)C; Cc1ccc(
    cc1C)c2c3ccccc3nc(c2[C@@H](C(=O)O)OC(C)(
    C)C)C; Cc1ccc(cc1C)c2c3ccccc3nc(C)c2[CH]
    (OC(C)(C)C)C(O)=O    		 (2S)-tert-butoxy[4-(3,4-dimethylphenyl)-2-methylquinolin-3-yl]ethanoic acid
    38441
    TQ3
    CHEMBL100239
    DB04163
    ZINC000005974663    		 2 C14 H12 N4 S InChI=1S/C14H12N4S/c15-13
    -12-10(17-14(16)18-13)7-4
    -8-11(12)19-9-5-2-1-3-6-9
    /h1-8H,(H4,15,16,17,18);
    BUFDQCGCADQQQY-UHFFFAOYSA-N    		 c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N; Nc1nc(N
    )c2c(Sc3ccccc3)cccc2n1; n3c2c(c(Sc1ccccc
    1)ccc2)c(nc3N)N    		 5-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINE
    38442
    TQ4
    CHEMBL83547
    DB04306
    ZINC000000172633    		 2 C15 H14 N4 S InChI=1S/C15H14N4S/c1-9-5
    -7-10(8-6-9)20-12-4-2-3-1
    1-13(12)14(16)19-15(17)18
    -11/h2-8H,1H3,(H4,16,17,1
    8,19);
    UOJFGEAPSYQDIP-UHFFFAOYSA-N    		 Cc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1; n3c2c(
    c(Sc1ccc(cc1)C)ccc2)c(nc3N)N; Cc1ccc(cc1
    )Sc2cccc3c2c(nc(n3)N)N    		 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE
    38443
    TQ5
    CHEMBL329985
    DB01958
    ZINC000008657832    		 2 C18 H20 N4 S InChI=1S/C18H20N4S/c1-18(
    2,3)11-7-9-12(10-8-11)23-
    14-6-4-5-13-15(14)16(19)2
    2-17(20)21-13/h4-10H,1-3H
    3,(H4,19,20,21,22);
    MNYDVPDMLAJJPB-UHFFFAOYSA-N    		 n3c2c(c(Sc1ccc(cc1)C(C)(C)C)ccc2)c(nc3N)
    N; CC(C)(C)c1ccc(cc1)Sc2cccc3c2c(nc(n3)N
    )N; CC(C)(C)c1ccc(Sc2cccc3nc(N)nc(N)c23)
    cc1    		 5-[4-TERT-BUTYLPHENYLSULFANYL]-2,4-QUINAZOLINEDIAMINE
    38444
    TQ6
    CHEMBL328827
    DB02001
    ZINC000008642910    		 2 C18 H19 N5 O S InChI=1S/C18H19N5OS/c19-1
    7-16-14(21-18(20)22-17)2-
    1-3-15(16)25-13-6-4-12(5-
    7-13)23-8-10-24-11-9-23/h
    1-7H,8-11H2,(H4,19,20,21,
    22);
    CZLWCJRHDBTCGQ-UHFFFAOYSA-N    		 c1cc2c(c(c1)Sc3ccc(cc3)N4CCOCC4)c(nc(n2)
    N)N; Nc1nc(N)c2c(Sc3ccc(cc3)N4CCOCC4)ccc
    c2n1; n1c(N)c4c(nc1N)cccc4Sc3ccc(N2CCOCC
    2)cc3    		 5-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE
    38445
    TQ7
    ZINC000036751284    		 1 C19 H16 Br N O S InChI=1S/C19H16BrNOS/c1-2
    1(19(22)16-12-13-17(20)23
    -16)18(14-8-4-2-5-9-14)15
    -10-6-3-7-11-15/h2-13,18H
    ,1H3;
    WORZHUYQQIIZTA-UHFFFAOYSA-N    		 CN(C(c1ccccc1)c2ccccc2)C(=O)c3sc(Br)cc3;
    c3c(Br)sc(C(=O)N(C(c1ccccc1)c2ccccc2)C)
    c3; CN(C(c1ccccc1)c2ccccc2)C(=O)c3ccc(s3
    )Br    		 5-bromo-N-(diphenylmethyl)-N-methylthiophene-2-carboxamide
    38446
    TQ8
    CHEMBL60718
    ZINC000000901254    		 11 C17 H18 Cl N O3 S InChI=1S/C17H18ClNO3S/c1-
    13-7-9-15(10-8-13)23(21,2
    2)19-16(17(20)12-18)11-14
    -5-3-2-4-6-14/h2-10,16,19
    H,11-12H2,1H3/t16-/m0/s1;
    MQUQNUAYKLCRME-INIZCTEOSA-N    		 Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2ccccc2)C(
    =O)CCl; Cc1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2
    )C(=O)CCl; Cc1ccc(cc1)[S](=O)(=O)N[CH](C
    c2ccccc2)C(=O)CCl; Cc1ccc(cc1)[S](=O)(=O
    )N[C@@H](Cc2ccccc2)C(=O)CCl    		 N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide;
    CAS329306
    38447
    TQ9
    ZINC000001769321    		 1 C5 H7 Cl O3 InChI=1S/C5H7ClO3/c6-3-4(
    7)1-2-5(8)9/h1-3H2,(H,8,9
    );
    NDODXPYZKSROJQ-UHFFFAOYSA-N    		 C(CC(=O)O)C(=O)CCl; OC(=O)CCC(=O)CCl 5-CHLORO-4-OXOPENTANOIC ACID
    38448
    TQA    		 1 C33 H28 N6 O3 S InChI=1S/C33H28N6O3S/c1-2
    0(40)35-28-17-22(14-15-34
    -28)30-29(37-33(38-30)43-
    2)21-10-7-11-25(16-21)36-
    31(41)26-12-5-3-8-23(26)1
    8-39-19-24-9-4-6-13-27(24
    )32(39)42/h3-17H,18-19H2,
    1-2H3,(H,36,41)(H,37,38)(
    H,34,35,40);
    MYCFQBCOJLOXJZ-UHFFFAOYSA-N    		 CSc1[nH]c(c2ccnc(NC(C)=O)c2)c(n1)c3cccc(
    NC(=O)c4ccccc4CN5Cc6ccccc6C5=O)c3; CC(=O
    )Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC
    (=O)c4ccccc4CN5Cc6ccccc6C5=O; c6cc5C(=O)
    N(Cc4ccccc4C(Nc1cc(ccc1)c2nc(SC)nc2c3ccn
    c(c3)NC(C)=O)=O)Cc5cc6    		 N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide
    38449
    TQB
    CHEMBL5090022    		 1 C16 H14 Cl N3 O InChI=1S/C16H14ClN3O/c1-1
    9(2)15-13-9-8-11(17)10-14
    (13)20(16(21)18-15)12-6-4
    -3-5-7-12/h3-10H,1-2H3;
    JMLJEYLWRAPHBL-UHFFFAOYSA-N    		 CN(C)C1=NC(=O)N(c2ccccc2)c3cc(Cl)ccc13;
    CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)c3ccccc3    		 7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one
    38450
    TQC
    ZINC000225596080    		 3 C10 H12 N4 O InChI=1S/C10H12N4O/c1-14-
    6-5-11-9(14)8-12-10(15-13
    -8)7-3-2-4-7/h5-7H,2-4H2,
    1H3;
    OPUWQKONOBGDBJ-UHFFFAOYSA-N    		 Cn1ccnc1c2noc(n2)C3CCC3; Cn1ccnc1c1nc(on
    1)C1CCC1; Cn1ccnc1c2nc(on2)C3CCC3    		 (3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole
    38451
    TQD
    DB08642
    ZINC000038377675    		 2 C19 H29 N5 O3 InChI=1S/C19H29N5O3/c1-24
    (12-8-15(25-2)17(27-4)16(
    9-12)26-3)10-11-5-6-14-13
    (7-11)18(20)23-19(21)22-1
    4/h8-9,11,19,22H,5-7,10,2
    1H2,1-4H3,(H2,20,23)/t11-
    ,19+/m0/s1;
    JJWPLCQODKLEHY-JEOXALJRSA-N    		 COc1cc(cc(OC)c1OC)N(C)C[CH]2CCC3=C(C2)C(
    =N[CH](N)N3)N; CN(CC1CCC2=C(C1)C(=N[C@@H
    ](N2)N)N)c3cc(c(c(c3)OC)OC)OC; COc1cc(cc
    (OC)c1OC)N(C)C[C@H]2CCC3=C(C2)C(=N[C@H](
    N)N3)N; CN(CC1CCC2=C(C1)C(=NC(N2)N)N)c3c
    c(c(c(c3)OC)OC)OC    		 (2R,6S)-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}-1,2,5,6,7,8-hexahydroquinazoline-2,4-diamine
    38452
    TQE
    CHEMBL5078947    		 1 C7 H12 N4 O2 InChI=1S/C7H12N4O2/c1-4-1
    3-7-9-5(11(2)3)8-6(12)10-
    7/h4H2,1-3H3,(H,8,9,10,12
    );
    GWBDQYGLNMYNTP-UHFFFAOYSA-N    		 CCOC1=NC(=NC(=O)N1)N(C)C 4-(dimethylamino)-6-ethoxy-1~{H}-1,3,5-triazin-2-one
    38453
    TQF    		 2 C29 H30 N2 O3 InChI=1S/C29H30N2O3/c1-2-
    30-18-25(19-30)34-24-11-8
    -20(9-12-24)27-26-13-10-2
    3(32)16-22(26)17-29(14-15
    -29)31(27)28(33)21-6-4-3-
    5-7-21/h3-13,16,25,27,32H
    ,2,14-15,17-19H2,1H3/t27-
    /m1/s1;
    KYSPUCBQKNTERK-HHHXNRCGSA-N    		 CCN1CC(C1)Oc2ccc(cc2)[C@H]3N(C(=O)c4cccc
    c4)C5(CC5)Cc6cc(O)ccc36; CCN1CC(C1)Oc1cc
    c(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1cccc
    c1; CCN1CC(C1)Oc2ccc(cc2)[C@@H]3c4ccc(cc
    4CC5(N3C(=O)c6ccccc6)CC5)O; CCN1CC(C1)Oc
    2ccc(cc2)C3c4ccc(cc4CC5(N3C(=O)c6ccccc6)
    CC5)O; CCN1CC(C1)Oc2ccc(cc2)[CH]3N(C(=O)
    c4ccccc4)C5(CC5)Cc6cc(O)ccc36    		 [(1'R)-1'-{4-[(1-ethylazetidin-3-yl)oxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
    38454
    TQG    		 2 C14 H15 N O8 InChI=1S/C14H15NO8/c16-11
    (15-10(14(21)22)4-5-12(17
    )18)7-23-9-3-1-2-8(6-9)13
    (19)20/h1-3,6,10H,4-5,7H2
    ,(H,15,16)(H,17,18)(H,19,
    20)(H,21,22)/t10-/m0/s1;
    ZYEJDCAIACBLPZ-JTQLQIEISA-N    		 c1cc(cc(c1)OCC(=O)NC(CCC(=O)O)C(=O)O)C(=
    O)O; OC(=O)CC[C@H](NC(=O)COc1cccc(c1)C(O
    )=O)C(O)=O; OC(=O)CC[CH](NC(=O)COc1cccc(
    c1)C(O)=O)C(O)=O; O=C(O)CCC(C(O)=O)NC(CO
    c1cccc(c1)C(O)=O)=O; c1cc(cc(c1)OCC(=O)N
    [C@@H](CCC(=O)O)C(=O)O)C(=O)O    		 N-[(3-carboxyphenoxy)acetyl]-L-glutamic acid
    38455
    TQH
    ZINC000009667676    		 8 C12 H12 N4 O S InChI=1S/C12H12N4OS/c1-8-
    4-5-9(17-8)7-13-12-14-11(
    15-16-12)10-3-2-6-18-10/h
    2-6H,7H2,1H3,(H2,13,14,15
    ,16);
    BXCLKGCUMNDSFV-UHFFFAOYSA-N    		 Cc1ccc(o1)CNc2[nH]c(nn2)c3cccs3; Cc1oc(C
    Nc2[nH]c(nn2)c3sccc3)cc1    		 ~{N}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{H}-1,2,4-triazol-3-amine
    38456
    TQI
    CHEMBL1738910
    ZINC000002646182    		 1 C18 H14 Cl F3 N2 O4 S InChI=1S/C18H14ClF3N2O4S/
    c19-14-6-5-11(8-13(14)18(
    20,21)22)29(27,28)24-16(1
    7(25)26)7-10-9-23-15-4-2-
    1-3-12(10)15/h1-6,8-9,16,
    23-24H,7H2,(H,25,26)/t16-
    /m0/s1;
    YOZOZANENKPWEP-INIZCTEOSA-N    		 c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)NS(=O)(=O)
    c3ccc(c(c3)C(F)(F)F)Cl; OC(=O)[C@H](Cc1c
    [nH]c2ccccc12)N[S](=O)(=O)c3ccc(Cl)c(c3)
    C(F)(F)F; OC(=O)[CH](Cc1c[nH]c2ccccc12)N
    [S](=O)(=O)c3ccc(Cl)c(c3)C(F)(F)F; c1ccc
    2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NS(=O)(=O)
    c3ccc(c(c3)C(F)(F)F)Cl    		 N-{[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]SULFONYL}-L-TRYPTOPHAN
    38457
    TQJ
    CHEMBL1738911
    ZINC000038456860    		 1 C19 H25 Br N6 O4 S InChI=1S/C19H25BrN6O4S/c2
    0-16-5-6-19(23-13-16)24-9
    -11-25(12-10-24)31(29,30)
    14-17(26(28)15-27)3-1-4-1
    8-21-7-2-8-22-18/h2,5-8,1
    3,15,17,28H,1,3-4,9-12,14
    H2/t17-/m0/s1;
    KOKUKBSLFSEGAT-KRWDZBQOSA-N    		 ON(C=O)[C@@H](CCCc1ncccn1)C[S](=O)(=O)N2
    CCN(CC2)c3ccc(Br)cn3; ON(C=O)[CH](CCCc1n
    cccn1)C[S](=O)(=O)N2CCN(CC2)c3ccc(Br)cn3
    ; c1cnc(nc1)CCCC(CS(=O)(=O)N2CCN(CC2)c3c
    cc(cn3)Br)N(C=O)O; c1cnc(nc1)CCC[C@@H](C
    S(=O)(=O)N2CCN(CC2)c3ccc(cn3)Br)N(C=O)O    		 N-[(2S)-1-[4-(5-BROMOPYRIDIN-2-YL)PIPERAZIN-1-YL]SULFONYL-5-PYRIMIDIN-2-YL-PENTAN-2-YL]-N-HYDROXY-METHANAMIDE
    38458
    TQK    		 1 C17 H14 N2 O InChI=1S/C17H14N2O/c1-13-
    11-16(8-7-15(13)12-20)19-
    10-9-18-17(19)14-5-3-2-4-
    6-14/h2-12H,1H3;
    JLZNBKMFWOJNBX-UHFFFAOYSA-N    		 Cc1cc(ccc1C=O)n2ccnc2c3ccccc3 2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde
    38459
    TQL
    ZINC000100756604    		 1 C12 H10 N2 O3 InChI=1S/C12H10N2O3/c15-9
    -3-4-10(11(16)6-9)12(14-1
    7)8-2-1-5-13-7-8/h1-7,15-
    17H/b14-12+;
    HZURBZXRYDMRDT-WYMLVPIESA-N    		 c1cc(cnc1)C(=NO)c2ccc(cc2O)O; ON=C(c1ccc
    nc1)c2ccc(O)cc2O; O\N=C(/c1cccnc1)c2ccc(
    O)cc2O; c1cc(cnc1)/C(=N\O)/c2ccc(cc2O)O    		 4-[(E)-N-oxidanyl-C-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol
    38460
    TQM    		 1 C22 H13 F O3 S InChI=1S/C22H13FO3S/c23-1
    6-4-1-3-14(11-16)15-6-8-2
    0-18(12-15)19(13-22(24)25
    )21(26-20)9-7-17-5-2-10-2
    7-17/h1-6,8,10-12H,13H2,(
    H,24,25);
    UCTKHHLIAARERD-UHFFFAOYSA-N    		 c31cc(ccc1oc(C#Cc2cccs2)c3CC(=O)O)c4cccc
    (c4)F; c1cc(cc(c1)F)c2ccc3c(c2)c(c(o3)C#
    Cc4cccs4)CC(=O)O; OC(=O)Cc1c(oc2ccc(cc12
    )c3cccc(F)c3)C#Cc4sccc4    		 {5-(3-fluorophenyl)-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}acetic acid
    38461
    TQN    		 26 C110 H208 N2 O26 P2 InChI=1S/C110H208N2O26P2/
    c1-8-15-22-29-36-43-45-46
    -48-55-62-68-75-82-98(117
    )130-91(78-71-64-57-50-39
    -32-25-18-11-4)85-96(115)
    111-103-107(135-101(120)8
    4-90(114)77-70-63-56-49-3
    8-31-24-17-10-3)105(122)9
    5(134-110(103)138-140(126
    ,127)128)89-129-109-104(1
    12-97(116)86-92(79-72-65-
    58-51-40-33-26-19-12-5)13
    1-99(118)81-74-67-60-53-4
    2-35-28-21-14-7)108(106(9
    4(88-113)133-109)137-139(
    123,124)125)136-102(121)8
    7-93(80-73-66-59-52-41-34
    -27-20-13-6)132-100(119)8
    3-76-69-61-54-47-44-37-30
    -23-16-9-2/h90-95,103-110
    ,113-114,122H,8-89H2,1-7H
    3,(H,111,115)(H,112,116)(
    H2,123,124,125)(H2,126,12
    7,128)/t90-,91-,92-,93-,9
    4-,95-,103-,104-,105-,106
    -,107-,108-,109-,110-/m1/
    s1;
    VOXDTCSXQHOYKC-XGEOUJBZSA-N    		 CCCCCCCCCCCCCCCC(=O)O[CH](CCCCCCCCCCC)CC
    (=O)N[CH]1[CH](O[CH](CO[CH]2O[CH](CO)[CH
    ](O[P](O)(O)=O)[CH](OC(=O)C[CH](CCCCCCCC
    CCC)OC(=O)CCCCCCCCCCCCC)[CH]2NC(=O)C[CH]
    (CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[CH](O)[C
    H]1OC(=O)C[CH](O)CCCCCCCCCCC)O[P](O)(O)=
    O; CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCC
    C)CC(=O)N[C@H]1[C@H](O[C@H](CO[C@@H]2O[C
    @H](CO)[C@@H](O[P](O)(O)=O)[C@H](OC(=O)C
    [C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[
    C@H]2NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCC
    CCCCCCCC)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)
    CCCCCCCCCCC)O[P](O)(O)=O; CCCCCCCCCCCCCC
    CC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[
    C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[
    C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(
    =O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)
    CCCCCCCCCCCCC)NC(=O)C[C@@H](CCCCCCCCCCC)
    OC(=O)CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCC
    CCCCC)O; CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCC
    CCC)CC(=O)NC1C(C(C(OC1OP(=O)(O)O)COC2C(C
    (C(C(O2)CO)OP(=O)(O)O)OC(=O)CC(CCCCCCCCC
    CC)OC(=O)CCCCCCCCCCCCC)NC(=O)CC(CCCCCCCC
    CCC)OC(=O)CCCCCCCCCCC)O)OC(=O)CC(CCCCCCC
    CCCC)O    		 [(3~{R})-1-[[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-[[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-(hydroxymethyl)-5-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]oxymethyl]-5-oxidanyl-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-2-phosphonooxy-oxan-3-yl]amino]-1-oxidanylidene-tetradecan-3-yl] hexadecanoate
    38462
    TQO    		 1 C20 H28 O4 InChI=1S/C20H28O4/c1-19(2
    )13-23-20(24-14-19)9-8-16
    (11-18(21)22)17(12-20)10-
    15-6-4-3-5-7-15/h3-7,16-1
    7H,8-14H2,1-2H3,(H,21,22)
    /t16-,17+/m0/s1;
    ZWXRAJFDAGPZAI-DLBZAZTESA-N    		 CC1(C)COC2(CC[C@@H](CC(O)=O)[C@H](Cc3ccc
    cc3)C2)OC1; CC1(COC2(CC[C@H]([C@@H](C2)C
    c3ccccc3)CC(=O)O)OC1)C; O=C(O)CC1CCC2(CC
    1Cc1ccccc1)OCC(C)(C)CO2; CC1(C)COC2(CC[C
    H](CC(O)=O)[CH](Cc3ccccc3)C2)OC1; CC1(CO
    C2(CCC(C(C2)Cc3ccccc3)CC(=O)O)OC1)C    		 [(8R,9S)-8-benzyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]acetic acid
    38463
    TQP
    ZINC000098209462    		 21 C24 H35 N4 O19 P3 InChI=1S/C24H35N4O19P3/c1
    -10-7-28(24(34)27-22(10)3
    3)17-4-15(29)16(45-17)9-4
    3-49(38,39)47-50(40,41)46
    -23-21(32)18(20(31)12(3)4
    4-23)26-6-14-13(8-42-48(3
    5,36)37)5-25-11(2)19(14)3
    0/h5-7,12,15-18,20-21,23,
    29-32H,4,8-9H2,1-3H3,(H,3
    8,39)(H,40,41)(H,27,33,34
    )(H2,35,36,37)/b26-6+/t12
    -,15+,16-,17-,18+,20-,21-
    ,23-/m1/s1;
    UJDWKFAFGYHSFM-HMSDFHDVSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2C(C(OC(C2O
    )OP(=O)(O)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=
    O)NC4=O)C)O)C)O)O; C[CH]1O[CH](O[P](O)(=
    O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(
    C)C(=O)NC3=O)[CH](O)[CH](N=Cc4c(O)c(C)nc
    c4CO[P](O)(O)=O)[CH]1O; Cc1c(c(c(cn1)COP
    (=O)(O)O)\C=N\[C@H]2[C@@H]([C@H](O[C@@H]
    ([C@@H]2O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@
    H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O
    )C)O)O; C[C@H]1O[C@H](O[P@@](O)(=O)O[P@@
    ](O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N3C=C(C
    )C(=O)NC3=O)[C@H](O)[C@@H](N=Cc4c(O)c(C)
    ncc4CO[P](O)(O)=O)[C@@H]1O; O=P(OC2OC(C(
    O)C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)C2O)C
    )(O)OP(=O)(O)OCC4OC(N3C=C(C(=O)NC3=O)C)C
    C4O    		 (2R,3R,4S,5S,6R)-3,5-dihydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
    38464
    TQQ    		 0 C11 H11 N3 O3 InChI=1S/C11H11N3O3/c12-7
    -2-1-6-5(3-8(13)11(16)17)
    4-14-9(6)10(7)15/h1-2,4,8
    ,12,14H,3,13H2,(H,16,17)/
    b12-7-/t8-/m0/s1;
    OLHQENDZXBLIDH-VQLBTBKJSA-N    		 N[CH](Cc1c[nH]c2C(=O)C(=N)C=Cc12)C(O)=O;
    N[C@@H](Cc1c[nH]c2C(=O)C(=N)C=Cc12)C(O)
    =O; O=C(O)C(N)Cc2c1C=CC(=[N@H])C(=O)c1nc
    2; [H]N=C1C=Cc2c(c[nH]c2C1=O)CC(C(=O)O)N
    ; [H]/N=C\1/C=Cc2c(c[nH]c2C1=O)C[C@@H](C
    (=O)O)N    		 (S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO-7-OXO-1H-INDOL-3-YL)PROPANOIC ACID;
    3-[(6E)-6-IMINO-7-OXO-6,7-DIHYDRO-1H-INDOL-3-YL]-L-ALANINE
    38465
    TQR    		 1 C9 H13 N3 O4 S InChI=1S/C9H13N3O4S/c10-5
    -1-2-12(9(16)11-5)8-7(15)
    6(14)4(3-13)17-8/h1-2,4,6
    -8,13-15H,3H2,(H2,10,11,1
    6)/t4-,6-,7-,8-/m1/s1;
    GAKJJSAXUFZQTL-XVFCMESISA-N    		 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@
    H](S2)CO)O)O; C1=CN(C(=O)N=C1N)C2C(C(C(S
    2)CO)O)O; NC1=NC(=O)N(C=C1)[CH]2S[CH](CO
    )[CH](O)[CH]2O; NC1=NC(=O)N(C=C1)[C@@H]2
    S[C@H](CO)[C@@H](O)[C@H]2O    		 4-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl]pyrimidin-2-one
    38466
    TQS    		 1 C12 H17 N3 O2 InChI=1S/C12H17N3O2/c1-6-
    9-10(17-14-6)8-3-7-4-13-5
    -12(7,11(9)16)15(8)2/h7-8
    ,11,13,16H,3-5H2,1-2H3/t7
    -,8+,11+,12-/m0/s1;
    ORUIQGBPSJFGIC-MDSNHJATSA-N    		 N2(C13C(CNC1)CC2c4c(C3O)c(no4)C)C; Cc1c2
    c(on1)[C@H]3C[C@H]4CNC[C@]4([C@@H]2O)N3C
    ; Cc1c2c(on1)C3CC4CNCC4(C2O)N3C; CN1[C@@
    H]2C[C@H]3CNC[C@]13[C@H](O)c4c(C)noc24;
    CN1[CH]2C[CH]3CNC[C]13[CH](O)c4c(C)noc24    		 (4R,4aR,7aS,9R)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol
    38467
    TQT
    DB02559
    ZINC000053683846    		 2 C17 H33 N5 InChI=1S/C17H33N5/c18-16-
    13-9-11(5-6-14(13)20-17(1
    9)21-16)10-22-8-7-12-3-1-
    2-4-15(12)22/h11-17,20-21
    H,1-10,18-19H2/t11-,12+,1
    3+,14-,15-,16+,17+/m0/s1;
    HDQIGGQUKAQTGU-SZTTVXCBSA-N    		 C1CCC2C(C1)CCN2CC3CCC4C(C3)C(NC(N4)N)N;
    N[C@H]1N[C@@H](N)[C@@H]2C[C@H](CC[C@@H]2
    N1)CN3CC[C@H]4CCCC[C@H]34; C1CCC2C(C1)CC
    N2C[C@H]3CCC4C(C3)C(NC(N4)N)N; N[CH]1N[C
    H](N)[CH]2C[CH](CC[CH]2N1)CN3CC[CH]4CCCC
    [CH]34; NC2NC1CCC(CC1C(N)N2)CN4C3CCCCC3C
    C4    		 6-(OCTAHYDRO-1H-INDOL-1-YLMETHYL)DECAHYDROQUINAZOLINE-2,4-DIAMINE
    38468
    TQU
    CHEMBL3818493
    ZINC000095921350    		 1 C11 H9 N5 InChI=1S/C11H9N5/c12-8-1-
    2-10-9(5-8)11(3-4-14-10)1
    6-7-13-6-15-16/h1-7H,12H2;
    GXRXDACPFFYIDQ-UHFFFAOYSA-N    		 c1cc2c(cc1N)c(ccn2)n3cncn3; n1ccc(c2cc(N
    )ccc12)n3ncnc3; Nc1ccc2nccc(n3cncn3)c2c1    		 4-(1H-1,2,4-triazol-1-yl)quinolin-6-amine
    38469
    TQV
    ZINC000098209463    		 4 C14 H15 O5 P InChI=1S/C14H15O5P/c1-11-
    6-2-5-9-14(11)19-20(16,17
    )18-10-12-7-3-4-8-13(12)1
    5/h2-9,15H,10H2,1H3,(H,16
    ,17);
    IZFXZRKTLPZKSA-UHFFFAOYSA-N    		 Cc1ccccc1OP(=O)(O)OCc2ccccc2O; Cc1ccccc1
    O[P](O)(=O)OCc2ccccc2O; O=P(O)(Oc1ccccc1
    C)OCc2ccccc2O    		 O-CRESYL-SALIGENIN PHOSPHATE
    38470
    TQW    		 1 C17 H17 N O4 S InChI=1S/C17H17NO4S/c1-22
    -15-6-9-17-14(11-15)3-2-1
    0-18(17)23(20,21)16-7-4-1
    3(12-19)5-8-16/h4-9,11-12
    H,2-3,10H2,1H3;
    JWWDOSUXWBDNPH-UHFFFAOYSA-N    		 COc1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O
    ; COc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O
    )cc3    		 4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde
    38471
    TQX
    CHEMBL2180481
    ZINC000095575709    		 1 C26 H28 F N O4 InChI=1S/C26H28FNO4/c1-14
    -16-10-8-12-31-23(16)19(2
    7)13-18(14)22-17-9-6-7-11
    -20(17)28-15(2)21(22)24(2
    5(29)30)32-26(3,4)5/h6-7,
    9,11,13,24H,8,10,12H2,1-5
    H3,(H,29,30)/t24-/m0/s1;
    FPVPQIOUSAJQDM-DEOSSOPVSA-N    		 Cc1nc2ccccc2c(c3cc(F)c4OCCCc4c3C)c1[C@H]
    (OC(C)(C)C)C(O)=O; Cc1nc2ccccc2c(c3cc(F)
    c4OCCCc4c3C)c1[CH](OC(C)(C)C)C(O)=O; Cc1
    c(cc(c2c1CCCO2)F)c3c4ccccc4nc(c3C(C(=O)O
    )OC(C)(C)C)C; Cc1c(cc(c2c1CCCO2)F)c3c4cc
    ccc4nc(c3[C@@H](C(=O)O)OC(C)(C)C)C; O=C(
    O)C(OC(C)(C)C)c4c(nc1c(cccc1)c4c3cc(F)c2
    OCCCc2c3C)C    		 (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid
    38472
    TQY    		 6 C14 H26 O7 InChI=1S/C14H26O7/c1-2-3-
    4-5-6-7-10(15)20-8-9-11(1
    6)12(17)13(18)14(19)21-9/
    h9,11-14,16-19H,2-8H2,1H3
    /t9-,11-,12+,13-,14+/m1/s
    1;
    ZLDMSVMGGVMZGO-LPUQOGTASA-N    		 CCCCCCCC(=O)OC[CH]1O[CH](O)[CH](O)[CH](O
    )[CH]1O; CCCCCCCC(=O)OC[C@H]1O[C@H](O)[C
    @H](O)[C@@H](O)[C@@H]1O; CCCCCCCC(=O)OCC
    1C(C(C(C(O1)O)O)O)O; C(=O)(CCCCCCC)OCC1C
    (C(C(C(O1)O)O)O)O; CCCCCCCC(=O)OC[C@@H]1
    [C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O    		 6-O-octanoyl-alpha-D-glucopyranose
    38473
    TQZ    		 0 C3 H7 N O2 S5 InChI=1S/C3H7NO2S5/c4-2(3
    (5)6)1-8-10-11-9-7/h2,7H,
    1,4H2,(H,5,6)/t2-/m0/s1;
    CEIOEWJDORMPCY-REOHCLBHSA-N    		 C(C(C(=O)O)N)SSSSS; N[CH](CSSSSS)C(O)=O;
    C([C@@H](C(=O)O)N)SSSSS; N[C@@H](CSSSSS
    )C(O)=O; O=C(O)C(N)CSSSSS    		 2-AMINO-3-PENTASULFANYLPROPAN-1-OL
    38474
    TR0
    ZINC000095921111    		 4 C24 H25 N3 O4 InChI=1S/C24H25N3O4/c1-16
    -11-21(31-26-16)13-23(29)
    27-15-20(28)12-22(27)24(3
    0)25-14-17-7-9-19(10-8-17
    )18-5-3-2-4-6-18/h2-11,20
    ,22,28H,12-15H2,1H3,(H,25
    ,30)/t20-,22+/m1/s1;
    NRELVQVYPBFBDC-IRLDBZIGSA-N    		 Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NC
    c3ccc(cc3)c4ccccc4)O; Cc1cc(CC(=O)N2C[CH
    ](O)C[CH]2C(=O)NCc3ccc(cc3)c4ccccc4)on1;
    O=C(N3C(C(=O)NCc2ccc(c1ccccc1)cc2)CC(O)
    C3)Cc4onc(c4)C; Cc1cc(CC(=O)N2C[C@H](O)C
    [C@H]2C(=O)NCc3ccc(cc3)c4ccccc4)on1; Cc1
    cc(on1)CC(=O)N2CC(CC2C(=O)NCc3ccc(cc3)c4
    ccccc4)O    		 (4R)-N-(BIPHENYL-4-YLMETHYL)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE
    38475
    TR1
    DB08643
    ZINC000053683264    		 3 C24 H31 N3 O4 S InChI=1S/C24H31N3O4S/c1-1
    6(2)22(24(30)31-3)27-21(2
    8)14-26-23(29)20(15-32)25
    -13-17-9-11-19(12-10-17)1
    8-7-5-4-6-8-18/h4-12,16,2
    0,22,25,32H,13-15H2,1-3H3
    ,(H,26,29)(H,27,28)/t20-,
    22-/m0/s1;
    QFAWBPLETHINFK-UNMCSNQZSA-N    		 O=C(OC)C(NC(=O)CNC(=O)C(NCc1ccc(cc1)c2cc
    ccc2)CS)C(C)C; CC(C)C(C(=O)OC)NC(=O)CNC(
    =O)C(CS)NCc1ccc(cc1)c2ccccc2; CC(C)[C@@H
    ](C(=O)OC)NC(=O)CNC(=O)[C@H](CS)NCc1ccc(
    cc1)c2ccccc2; COC(=O)[CH](NC(=O)CNC(=O)[
    CH](CS)NCc1ccc(cc1)c2ccccc2)C(C)C; COC(=
    O)[C@@H](NC(=O)CNC(=O)[C@H](CS)NCc1ccc(c
    c1)c2ccccc2)C(C)C    		 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
    38476
    TR2
    ZINC000011524832    		 1 C7 H5 N O S InChI=1S/C7H5NOS/c9-6-1-3
    -8-5-2-4-10-7(5)6/h1-4H,(
    H,8,9);
    AACVULYSNJAKEQ-UHFFFAOYSA-N    		 c1cnc2ccsc2c1O; Oc1ccnc2ccsc12; n1ccc(O)
    c2sccc12    		 thieno[3,2-b]pyridin-7-ol
    38477
    TR3
    CHEMBL1236391
    ZINC000058638372    		 2 C20 H22 N4 O S InChI=1S/C20H22N4OS/c1-26
    -20-17-8-7-15(22-19(25)14
    -9-11-21-12-10-14)13-18(1
    7)24(23-20)16-5-3-2-4-6-1
    6/h2-8,13-14,21H,9-12H2,1
    H3,(H,22,25);
    DHDKYDLNUPJXFQ-UHFFFAOYSA-N    		 CSc1c2ccc(cc2n(n1)c3ccccc3)NC(=O)C4CCNCC
    4; O=C(Nc1ccc2c(c1)n(nc2SC)c3ccccc3)C4CC
    NCC4; CSc1nn(c2ccccc2)c3cc(NC(=O)C4CCNCC
    4)ccc13    		 N-[3-(methylsulfanyl)-1-phenyl-1H-indazol-6-yl]piperidine-4-carboxamide
    38478
    TR4
    ZINC000000161377    		 2 C11 H10 N4 S InChI=1S/C11H10N4S/c1-16-
    11-9(7-12)10(13)15(14-11)
    8-5-3-2-4-6-8/h2-6H,13H2,
    1H3;
    IIOQJYJHSDCILE-UHFFFAOYSA-N    		 CSc1c(c(n(n1)c2ccccc2)N)C#N; N#Cc1c(N)n(
    nc1SC)c2ccccc2; CSc1nn(c(N)c1C#N)c2ccccc
    2    		 5-amino-3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile
    38479
    TR5
    CHEMBL462018
    DB14636
    ZINC000003916663    		 9 C13 H17 N6 O7 P InChI=1S/C13H17N6O7P/c1-1
    8-11-7-5(10(14)17-18)2-19
    (12(7)16-4-15-11)13-9(21)
    8(20)6(26-13)3-25-27(22,2
    3)24/h2,4,6,8-9,13,20-21H
    ,3H2,1H3,(H2,14,17)(H2,22
    ,23,24)/t6-,8-,9-,13-/m1/
    s1;
    URLYINUFLXOMHP-HTVVRFAVSA-N    		 CN1c2c3c(cn(c3ncn2)C4C(C(C(O4)COP(=O)(O)
    O)O)O)C(=N1)N; CN1c2c3c(cn(c3ncn2)[C@H]4
    [C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)C
    (=N1)N; O=P(O)(O)OCC4OC(n1cc2C(=NN(c3ncn
    c1c23)C)N)C(O)C4O; CN1N=C(N)c2cn([C@@H]3
    O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)c4
    ncnc1c24; CN1N=C(N)c2cn([CH]3O[CH](CO[P]
    (O)(O)=O)[CH](O)[CH]3O)c4ncnc1c24    		 5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine;
    Triciribine phosphate
    38480
    TR6
    CHEMBL428
    DB00685
    ZINC000100030989    		 4 C20 H15 F3 N4 O3 InChI=1S/C20H15F3N4O3/c21
    -8-1-2-15(13(22)3-8)27-7-
    12(20(29)30)17(28)9-4-14(
    23)19(25-18(9)27)26-5-10-
    11(6-26)16(10)24/h1-4,7,1
    0-11,16H,5-6,24H2,(H,29,3
    0)/t10-,11+,16+;
    WVPSKSLAZQPAKQ-CDMJZVDBSA-N    		 N[CH]1[CH]2CN(C[CH]12)c3nc4N(C=C(C(O)=O)
    C(=O)c4cc3F)c5ccc(F)cc5F; O=C(O)C=5C(=O)
    c1c(nc(c(F)c1)N3CC2C(N)C2C3)N(c4ccc(F)cc
    4F)C=5; c1cc(c(cc1F)F)N2C=C(C(=O)c3c2nc(
    c(c3)F)N4CC5C(C4)C5N)C(=O)O; c1cc(c(cc1F
    )F)N2C=C(C(=O)c3c2nc(c(c3)F)N4C[C@@H]5[C
    @H](C4)C5N)C(=O)O; N[C@H]1[C@@H]2CN(C[C@
    H]12)c3nc4N(C=C(C(O)=O)C(=O)c4cc3F)c5ccc
    (F)cc5F    		 Trovafloxacin;
    7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
    38481
    TR7
    CHEMBL55830
    ZINC000034781220    		 1 C12 H14 N2 O2 InChI=1S/C12H14N2O2/c1-16
    -12(15)10(13)6-8-7-14-11-
    5-3-2-4-9(8)11/h2-5,7,10,
    14H,6,13H2,1H3/t10-/m0/s1;
    KCUNTYMNJVXYKZ-JTQLQIEISA-N    		 COC(=O)C(Cc1c[nH]c2c1cccc2)N; COC(=O)[C@
    H](Cc1c[nH]c2c1cccc2)N; O=C(OC)C(N)Cc2c1
    ccccc1nc2; COC(=O)[CH](N)Cc1c[nH]c2ccccc
    12; COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12    		 methyl L-tryptophanate
    38482
    TR8    		 1 C32 H52 B N4 O10 InChI=1S/C32H52BN4O10/c1-
    31(2,3)26-28(40)37-17-22(
    15-24(37)27(39)34-25(12-1
    4-38)33(43,44)45)47-30(42
    )36-16-21-11-8-10-20(23(2
    1)18-36)9-6-7-13-32(4,5)1
    9-46-29(41)35-26/h8,10-11
    ,21-26,38,43-45H,6-7,9,12
    -19H2,1-5H3,(H,34,39)(H,3
    5,41)/q-1;
    TWUMYENOHGWFCN-UHFFFAOYSA-N    		 [B-](C(CCO)NC(=O)C1CC2CN1C(=O)C(NC(=O)OC
    C(CCCCC3=CC=CC4C3CN(C4)C(=O)O2)(C)C)C(C)
    (C)C)(O)(O)O; O=C(NC([B-](O)(O)O)CCO)C3N
    2C(=O)C(NC(=O)OCC(C)(C)CCCCC1=CC=CC4C1CN
    (C(=O)OC(C2)C3)C4)C(C)(C)C; CC(C)(C)C1NC
    (=O)OCC(C)(C)CCCCC2=CC=CC3CN(CC23)C(=O)O
    C4CC(N(C4)C1=O)C(=O)NC(CCO)[B-](O)(O)O    		 (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-)
    38483
    TR9
    ZINC000002031372    		 4 C7 H8 O4 InChI=1S/C7H8O4/c1-3-6(10
    )4(8)2-5(9)7(3)11/h4,8,11
    H,2H2,1H3/t4-/m0/s1;
    CWBLUSPNRBEFNW-BYPYZUCNSA-N    		 O=C1C(O)=C(C(=O)C(O)C1)C; CC1=C(O)C(=O)C
    [C@H](O)C1=O; CC1=C(C(=O)CC(C1=O)O)O; CC
    1=C(C(=O)C[C@@H](C1=O)O)O; CC1=C(O)C(=O)
    C[CH](O)C1=O    		 (5S)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione
    38484
    TRA    		 1 C6 H3 O6 InChI=1S/C6H6O6/c7-4(8)1-
    3(6(11)12)2-5(9)10/h1H,2H
    2,(H,7,8)(H,9,10)(H,11,12
    )/p-3/b3-1+;
    GTZCVFVGUGFEME-HNQUOIGGSA-K    		 [O-]C(=O)CC(=CC([O-])=O)C([O-])=O; [O-]C
    (=O)C\C(=C/C([O-])=O)C([O-])=O; [O-]C(=O
    )CC(=C\C([O-])=O)/C(=O)[O-]; C(/C(=C\C(=
    O)[O-])/C(=O)[O-])C(=O)[O-]; C(C(=CC(=O)
    [O-])C(=O)[O-])C(=O)[O-]    		 ACONITATE ION
    38485
    TRB    		 0 C16 H20 Cl N3 S InChI=1/C16H20ClN3S/c1-10
    (2)4-5-19-9-12-6-13(17)7-
    14-15(12)20(8-11(19)3)16(
    21)18-14/h4,6-7,11H,5,8-9
    H2,1-3H3,(H,18,21)/t11-/m
    0/s1/f/h18H;
    RCSLUNOLLUVOOG-FPCLSXBCDT    		 C[C@H]1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=C(C)C
    ; S=C2N3c1c(cc(Cl)cc1N2)CN(C(C3)C)C\C=C(
    /C)C; C[CH]1CN2C(=S)Nc3cc(Cl)cc(CN1CC=C(
    C)C)c23; CC1CN2c3c(cc(cc3NC2=S)Cl)CN1CC=
    C(C)C; C[C@H]1CN2C(=S)Nc3cc(Cl)cc(CN1CC=
    C(C)C)c23    		 4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE;
    9-CL-TIBO
    38486
    TRC
    CHEMBL1236394
    DB04562
    ZINC000000334493    		 4 C6 H8 O6 InChI=1S/C6H8O6/c7-4(8)1-
    3(6(11)12)2-5(9)10/h3H,1-
    2H2,(H,7,8)(H,9,10)(H,11,
    12);
    KQTIIICEAUMSDG-UHFFFAOYSA-N    		 OC(=O)CC(CC(O)=O)C(O)=O; C(C(CC(=O)O)C(=
    O)O)C(=O)O; O=C(O)CC(C(=O)O)CC(=O)O    		 TRICARBALLYLIC ACID
    38487
    TRD
    CHEMBL135694
    ZINC000001693738    		 0 C13 H28 InChI=1S/C13H28/c1-3-5-7-
    9-11-13-12-10-8-6-4-2/h3-
    13H2,1-2H3;
    IIYFAKIEWZDVMP-UHFFFAOYSA-N    		 CCCCCCCCCCCCC; C(CCCCCCCC)CCCC TRIDECANE;
    LIPID FRAGMENT
    38488
    TRE    		 0 C12 H22 O11 InChI=1S/C12H22O11/c13-1-
    3-5(15)7(17)9(19)11(21-3)
    23-12-10(20)8(18)6(16)4(2
    -14)22-12/h3-20H,1-2H2/t3
    -,4-,5-,6-,7+,8+,9-,10-,1
    1-,12-/m1/s1;
    HDTRYLNUVZCQOY-LIZSDCNHSA-N    		 C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)
    O)O)O; O2C(OC1OC(C(O)C(O)C1O)CO)C(O)C(O)
    C(O)C2CO; OC[C@H]1O[C@H](O[C@H]2O[C@H](C
    O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H
    ](O)[C@@H]1O; OC[CH]1O[CH](O[CH]2O[CH](C
    O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH
    ]1O; C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O
    1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C
    O)O)O)O)O)O)O)O    		 TREHALOSE;
    ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GLUCOPYRANOSIDE
    38489
    TRF
    ZINC000002572692    		 1 C12 H12 N2 O3 InChI=1S/C12H12N2O3/c13-1
    0(12(16)17)5-8-6-14(7-15)
    11-4-2-1-3-9(8)11/h1-4,6-
    7,10H,5,13H2,(H,16,17)/t1
    0-/m0/s1;
    KRUDZOGZZBVSHD-JTQLQIEISA-N    		 N[CH](Cc1cn(C=O)c2ccccc12)C(O)=O; O=C(O)
    C(N)Cc2c1ccccc1n(c2)C=O; c1ccc2c(c1)c(cn
    2C=O)C[C@@H](C(=O)O)N; N[C@@H](Cc1cn(C=O
    )c2ccccc12)C(O)=O; c1ccc2c(c1)c(cn2C=O)C
    C(C(=O)O)N    		 N1-FORMYL-TRYPTOPHAN
    38490
    TRG    		 0 C8 H18 N2 O2 InChI=1/C8H18N2O2/c1-10(2
    )6-4-3-5-7(9)8(11)12/h7H,
    3-6,9H2,1-2H3,(H,11,12)/t
    7-/m0/s1/f/h11H;
    XXEWFEBMSGLYBY-MLMLSQDADZ    		 CN(C)CCCC[C@@H](C(=O)O)N; CN(C)CCCCC(C(=
    O)O)N; CN(C)CCCC[CH](N)C(O)=O; CN(C)CCCC
    [C@H](N)C(O)=O; O=C(O)C(N)CCCCN(C)C    		 L-(N,N DIMETHYL)LYSINE
    38491
    TRH
    DB03723
    ZINC000008218444    		 66 C16 H26 N2 O15 P2 InChI=1S/C16H26N2O15P2/c1
    -6-4-18(16(24)17-14(6)23)
    10-3-8(19)9(31-10)5-29-34
    (25,26)33-35(27,28)32-15-
    13(22)12(21)11(20)7(2)30-
    15/h4,7-13,15,19-22H,3,5H
    2,1-2H3,(H,25,26)(H,27,28
    )(H,17,23,24)/t7-,8-,9+,1
    0+,11-,12+,13+,15+/m0/s1;
    ZOSQFDVXNQFKBY-CGAXJHMRSA-N    		 CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC
    (O2)N3C=C(C(=O)NC3=O)C)O)O)O)O; C[CH]1O[
    CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C
    [CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](O)
    [CH]1O; C[C@@H]1O[C@H](O[P@@](O)(=O)O[P@
    ](O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N3C=C(C
    )C(=O)NC3=O)[C@H](O)[C@H](O)[C@H]1O; O=P
    (OC1OC(C(O)C(O)C1O)C)(O)OP(=O)(O)OCC3OC(
    N2C=C(C(=O)NC2=O)C)CC3O; C[C@H]1[C@@H]([
    C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=
    O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=
    O)NC3=O)C)O)O)O)O    		 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE
    38492
    TRI
    CHEMBL15571
    DB03594
    ZINC000005943507    		 2 C2 H3 N3 InChI=1S/C2H3N3/c1-3-2-5-
    4-1/h1-2H,(H,3,4,5);
    NSPMIYGKQJPBQR-UHFFFAOYSA-N    		 c1[nH]cnn1; [nH]1cnnc1; n1ncnc1 1,2,4-TRIAZOLE
    38493
    TRJ
    CHEMBL384146
    ZINC000000057045    		 0 C8 H12 N2 InChI=1S/C8H12N2/c9-5-7-2
    -1-3-8(4-7)6-10/h1-4H,5-6
    ,9-10H2;
    FDLQZKYLHJJBHD-UHFFFAOYSA-N    		 NCc1cccc(CN)c1; NCc1cccc(c1)CN; c1cc(cc(
    c1)CN)CN    		 META-DI(AMINOMETHYL)BENZENE
    38494
    TRK
    ZINC000103558507    		 2 C22 H27 N O6 InChI=1S/C22H27NO6/c1-11(
    6-7-15(24)18-17(26)10-23-
    21(18)27)8-12(2)19-14(4)2
    0-16(25)9-13(3)22(5,28-19
    )29-20/h6-9,12,14,19-20,2
    4H,10H2,1-5H3,(H,23,27)/b
    7-6+,11-8+,18-15-/t12-,14
    -,19-,20+,22+/m1/s1;
    WORJTWSOUPGODS-HYAARBKISA-N    		 O=C1/C(C(=O)NC1)=C(/O)\C=C\C(=C\C(C3OC2(
    OC(C(=O)C=C2C)C3C)C)C)C; C[CH](C=C(C)C=C
    C(O)=C1C(=O)CNC1=O)[CH]2O[C]3(C)O[CH]([C
    H]2C)C(=O)C=C3C; CC1C2C(=O)C=C(C(O2)(OC1
    C(C)C=C(C)C=CC(=C3C(=O)CNC3=O)O)C)C; C[C
    @H]1[C@H]2C(=O)C=C([C@](O2)(O[C@@H]1[C@H
    ](C)/C=C(\C)/C=C/C(=C/3\C(=O)CNC3=O)/O)C
    )C; C[C@H](\C=C(C)\C=C\C(O)=C\1C(=O)CNC\
    1=O)[C@H]2O[C@@]3(C)O[C@@H]([C@@H]2C)C(=
    O)C=C3C    		 TIRANDAMYCIN D
    38495
    TRL
    DB08644
    ZINC000038321466    		 1 C19 H35 N3 O6 S InChI=1S/C19H35N3O6S/c1-8
    -13(11-23)16-14(21-29(7,2
    6)27)9-10-22(16)17(24)15(
    12(2)3)20-18(25)28-19(4,5
    )6/h11-16,21H,8-10H2,1-7H
    3,(H,20,25)/t13-,14+,15+,
    16-/m1/s1;
    NOWIRVOXJOWTSQ-FXUDXRNXSA-N    		 CCC(C=O)C1C(CCN1C(=O)C(C(C)C)NC(=O)OC(C)
    (C)C)NS(=O)(=O)C; CC[C@H](C=O)[C@@H]1[C@
    H](CCN1C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)
    NS(=O)(=O)C; CC[C@H](C=O)[C@@H]1[C@H](CC
    N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)N[S]
    (C)(=O)=O; CC[CH](C=O)[CH]1[CH](CCN1C(=O
    )[CH](NC(=O)OC(C)(C)C)C(C)C)N[S](C)(=O)=
    O; O=C(N1CCC(NS(=O)(=O)C)C1C(C=O)CC)C(NC
    (=O)OC(C)(C)C)C(C)C    		 {1-[2-(1-FORMYL-PROPYL)-3-METHANESULFONYLAMINO-PYRROLIDINE-1-CARBONYL]-2-METHYL-PROPYL}-CARBAMIC ACID TERT-BUTYL ESTER;
    GW472467X
    38496
    TRM
    DB03028
    ZINC000000158649    		 0 C8 H6 N2 O2 InChI=1S/C8H6N2O2/c11-8(1
    2)7-9-5-3-1-2-4-6(5)10-7/
    h1-4H,(H,9,10)(H,11,12);
    RHXSYTACTOMVLJ-UHFFFAOYSA-N    		 OC(=O)c1[nH]c2ccccc2n1; O=C(O)c2nc1ccccc
    1n2; c1ccc2c(c1)[nH]c(n2)C(=O)O    		 1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACID
    38497
    TRN
    DB04206
    ZINC000006093700    		 0 C10 H11 N3 O2 InChI=1S/C10H11N3O2/c11-8
    (10(14)15)4-6-5-13-9-7(6)
    2-1-3-12-9/h1-3,5,8H,4,11
    H2,(H,12,13)(H,14,15)/t8-
    /m0/s1;
    SNLOIIPRZGMRAB-QMMMGPOBSA-N    		 O=C(O)C(N)Cc2c1cccnc1nc2; c1cc2c(c[nH]c2
    nc1)C[C@@H](C(=O)O)N; c1cc2c(c[nH]c2nc1)
    CC(C(=O)O)N; N[CH](Cc1c[nH]c2ncccc12)C(O
    )=O; N[C@@H](Cc1c[nH]c2ncccc12)C(O)=O    		 NZ2-TRYPTOPHAN
    38498
    TRO
    DB03679
    ZINC000100020157    		 0 C11 H12 N2 O3 InChI=1S/C11H12N2O3/c12-8
    (11(15)16)5-7-6-3-1-2-4-9
    (6)13-10(7)14/h1-4,8,13-1
    4H,5,12H2,(H,15,16)/t8-/m
    0/s1;
    VAUYGGXCASQWHK-QMMMGPOBSA-N    		 c1ccc2c(c1)c(c([nH]2)O)CC(C(=O)O)N; N[CH
    ](Cc1c(O)[nH]c2ccccc12)C(O)=O; O=C(O)C(N
    )Cc2c1ccccc1nc2O; c1ccc2c(c1)c(c([nH]2)O
    )C[C@@H](C(=O)O)N; N[C@@H](Cc1c(O)[nH]c2
    ccccc12)C(O)=O    		 2-HYDROXY-TRYPTOPHAN
    38499
    TRP
    CHEMBL54976
    DB00150
    ZINC000000083315    		 1487 C11 H12 N2 O2 InChI=1S/C11H12N2O2/c12-9
    (11(14)15)5-7-6-13-10-4-2
    -1-3-8(7)10/h1-4,6,9,13H,
    5,12H2,(H,14,15)/t9-/m0/s
    1;
    QIVBCDIJIAJPQS-VIFPVBQESA-N    		 O=C(O)C(N)Cc2c1ccccc1nc2; c1ccc2c(c1)c(c
    [nH]2)C[C@@H](C(=O)O)N; c1ccc2c(c1)c(c[n
    H]2)CC(C(=O)O)N; N[CH](Cc1c[nH]c2ccccc12
    )C(O)=O; N[C@@H](Cc1c[nH]c2ccccc12)C(O)=
    O    		 TRYPTOPHAN
    38500
    TRQ
    ZINC000033510071    		 0 C11 H10 N2 O4 InChI=1S/C11H10N2O4/c12-7
    (11(16)17)3-5-4-13-9-6(5)
    1-2-8(14)10(9)15/h1-2,4,7
    ,13H,3,12H2,(H,16,17)/t7-
    /m0/s1;
    QNXHRZBZDHLGQO-ZETCQYMHSA-N    		 N[CH](Cc1c[nH]c2C(=O)C(=O)C=Cc12)C(O)=O;
    O=C(O)C(N)Cc2c1C=CC(=O)C(=O)c1nc2; c1c(
    c2c([nH]1)C(=O)C(=O)C=C2)C[C@@H](C(=O)O)
    N; N[C@@H](Cc1c[nH]c2C(=O)C(=O)C=Cc12)C(
    O)=O; c1c(c2c([nH]1)C(=O)C(=O)C=C2)CC(C(
    =O)O)N    		 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-1H-INDOL-3-YL)-PROPIONIC ACID
    38501
    TRR
    DB03125    		 3 C14 H19 N4 O3 InChI=1S/C14H18N4O3/c1-19
    -10-5-8(6-11(20-2)12(10)2
    1-3)4-9-7-17-14(16)18-13(
    9)15/h5-7H,4H2,1-3H3,(H4,
    15,16,17,18)/p+1;
    IEDVJHCEMCRBQM-UHFFFAOYSA-O    		 COc1cc(cc(c1OC)OC)Cc2c[nH+]c(nc2N)N; O(c
    1cc(cc(OC)c1OC)Cc2c(nc(N)[nH+]c2)N)C; CO
    c1cc(Cc2c[nH+]c(N)nc2N)cc(OC)c1OC    		 2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-BENZYL)-PYRIMIDIN-1-IUM
    38502
    TRS    		 10 C4 H12 N O3 InChI=1S/C4H11NO3/c5-4(1-
    6,2-7)3-8/h6-8H,1-3,5H2/p
    +1;
    LENZDBCJOHFCAS-UHFFFAOYSA-O    		 [NH3+]C(CO)(CO)CO; OCC([NH3+])(CO)CO; C(
    C(CO)(CO)[NH3+])O    		 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL;
    TRIS BUFFER
    38503
    TRT
    DB02080
    ZINC000005885272    		 106 C21 H36 O4 InChI=1S/C21H36O4/c1-20(2
    ,3)17-21(4,5)18-7-9-19(10
    -8-18)25-16-15-24-14-13-2
    3-12-11-22-6/h7-10H,11-17
    H2,1-6H3;
    HEUDUECKTWTQQR-UHFFFAOYSA-N    		 O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOC;
    COCCOCCOCCOc1ccc(cc1)C(C)(C)CC(C)(C)C;
    CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC    		 FRAGMENT OF TRITON X-100;
    1-{2-[2-(2-METHOXYETHOXY)ETHOXY]ETHOXY}-4-(1,1,3,3-TETRAMETHYLBUTYL)BENZENE
    38504
    TRU
    CHEMBL1231193
    DB08645
    ZINC000000897236    		 6 C8 H8 Cl3 N3 O4 S2 InChI=1S/C8H8Cl3N3O4S2/c9
    -3-1-4-6(2-5(3)19(12,15)1
    6)20(17,18)14-8(13-4)7(10
    )11/h1-2,7-8,13-14H,(H2,1
    2,15,16)/t8-/m1/s1;
    LMJSLTNSBFUCMU-MRVPVSSYSA-N    		 c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@@H
    ](N2)C(Cl)Cl; N[S](=O)(=O)c1cc2c(N[C@H](
    N[S]2(=O)=O)C(Cl)Cl)cc1Cl; O=S(=O)(c1c(C
    l)cc2c(c1)S(=O)(=O)NC(N2)C(Cl)Cl)N; N[S]
    (=O)(=O)c1cc2c(N[CH](N[S]2(=O)=O)C(Cl)Cl
    )cc1Cl; c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=
    O)NC(N2)C(Cl)Cl    		 6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE
    38505
    TRV    		 9 C14 H26 O7 InChI=1S/C14H26O7/c1-2-3-
    4-5-6-7-11(16)20-8-10-12(
    17)13(18)14(19,9-15)21-10
    /h10,12-13,15,17-19H,2-9H
    2,1H3/t10-,12-,13+,14-/m1
    /s1;
    UJGLCJCSHGMKFA-RUZUBIRVSA-N    		 CCCCCCCC(=O)OCC1C(C(C(O1)(CO)O)O)O; CCCC
    CCCC(=O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@
    @H]1O; CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]
    ([C@](O1)(CO)O)O)O; OC1(CO)C(O)C(O)C(COC
    (=O)CCCCCCC)O1; CCCCCCCC(=O)OC[CH]1O[C](
    O)(CO)[CH](O)[CH]1O    		 6-O-octanoyl-beta-D-fructofuranose
    38506
    TRW
    DB08646
    ZINC000100036939    		 0 C17 H18 N4 O2 InChI=1S/C17H18N4O2/c18-1
    2(10-22)8-11-9-19-16-14(1
    1)6-7-15(17(16)23)21-20-1
    3-4-2-1-3-5-13/h1-7,9-10,
    12,19-21,23H,8,18H2/t12-/
    m0/s1;
    PSUOZWHAKZSNOB-LBPRGKRZSA-N    		 N[C@@H](Cc1c[nH]c2c(O)c(NNc3ccccc3)ccc12
    )C=O; O=CC(N)Cc2c1ccc(c(O)c1nc2)NNc3cccc
    c3; c1ccc(cc1)NNc2ccc3c(c[nH]c3c2O)C[C@@
    H](C=O)N; N[CH](Cc1c[nH]c2c(O)c(NNc3cccc
    c3)ccc12)C=O; c1ccc(cc1)NNc2ccc3c(c[nH]c
    3c2O)CC(C=O)N    		 TRW3-(2-AMINO-3-HYDROXY-PROPYL)-6-(N'-CYCLOHEXYL-HYDRAZINO)OCTAHYDRO-INDOL-7-OL;
    PHENYLHYDRAZINE ADDUCT
    38507
    TRX
    ZINC000014512177    		 0 C11 H12 N2 O3 InChI=1S/C11H12N2O3/c12-9
    (11(15)16)3-6-5-13-10-4-7
    (14)1-2-8(6)10/h1-2,4-5,9
    ,13-14H,3,12H2,(H,15,16)/
    t9-/m0/s1;
    NXANGIZFHQQBCC-VIFPVBQESA-N    		 c1cc2c(cc1O)[nH]cc2CC(C(=O)O)N; c1cc2c(c
    c1O)[nH]cc2C[C@@H](C(=O)O)N; N[CH](Cc1c[
    nH]c2cc(O)ccc12)C(O)=O; O=C(O)C(N)Cc2c1c
    cc(O)cc1nc2; N[C@@H](Cc1c[nH]c2cc(O)ccc1
    2)C(O)=O    		 6-HYDROXYTRYPTOPHAN
    38508
    TRY    		 0 C11 H10 N2 O2 InChI=1S/C11H10N2O2/c12-9
    (11(14)15)5-7-6-13-10-4-2
    -1-3-8(7)10/h1-6,13H,12H2
    ,(H,14,15)/b9-5-;
    HXAJMKJPBQFASJ-UITAMQMPSA-N    		 c1ccc2c(c1)c(c[nH]2)C=C(C(=O)O)N; c1ccc2
    c(c1)c(c[nH]2)/C=C(/C(=O)O)\N; N\C(=C/c1
    c[nH]c2ccccc12)C(O)=O; O=C(O)/C(N)=C/c2c
    1ccccc1nc2; NC(=Cc1c[nH]c2ccccc12)C(O)=O    		 (2Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid
    38509
    TRZ
    DB08647
    ZINC000006522174    		 2 C20 H28 O3 InChI=1S/C20H28O3/c1-11(2
    )19-13(4)20(5,6)16-9-12(3
    )14(10-15(16)19)17(21)7-8
    -18(22)23/h9-11,13,19H,7-
    8H2,1-6H3,(H,22,23)/t13-,
    19-/m0/s1;
    YUTXECPABXNXPU-DJJJIMSYSA-N    		 CC(C)[CH]1[CH](C)C(C)(C)c2cc(C)c(cc12)C(
    =O)CCC(O)=O; Cc1cc2c(cc1C(=O)CCC(=O)O)[C
    @H]([C@@H](C2(C)C)C)C(C)C; CC(C)[C@H]1[C
    @H](C)C(C)(C)c2cc(C)c(cc12)C(=O)CCC(O)=O
    ; O=C(O)CCC(=O)c1cc2c(cc1C)C(C(C2C(C)C)C
    )(C)C; Cc1cc2c(cc1C(=O)CCC(=O)O)C(C(C2(C
    )C)C)C(C)C    		 TRAZEOLIDE
    38510
    TS    		 0 C10 H15 N2 O7 P S InChI=1/C10H15N2O7PS/c1-5
    -3-12(10(15)11-9(5)14)8-2
    -6(13)7(19-8)4-18-20(16,1
    7)21/h3,6-8,13H,2,4H2,1H3
    ,(H,11,14,15)(H2,16,17,21
    )/t6-,7+,8+/m0/s1/f/h11,1
    6-17H;
    OJRKJKYGUAALCJ-IUUZYFMUDP    		 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2
    )COP(=S)(O)O)O; CC1=CN(C(=O)NC1=O)C2CC(C
    (O2)COP(=S)(O)O)O; CC1=CN([CH]2C[CH](O)[
    CH](CO[P](O)(O)=S)O2)C(=O)NC1=O; O=C1NC(
    =O)N(C=C1C)C2OC(C(O)C2)COP(=S)(O)O; CC1=
    CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=S)O
    2)C(=O)NC1=O    		 THYMIDINE-5'-THIOPHOSPHATE
    38511
    TS0
    DB02711
    ZINC000012501635    		 2 C14 H23 N4 O11 P InChI=1S/C14H23N4O11P/c19
    -6-8(21)10(22)7(20)5-18-1
    1-9(12(23)16-13(24)15-11)
    17(14(18)25)3-1-2-4-29-30
    (26,27)28/h7-8,10,19-22H,
    1-6H2,(H2,26,27,28)(H2,15
    ,16,23,24)/t7-,8+,10+/m0/
    s1;
    VBXZSBKAJFXURR-QXFUBDJGSA-N    		 C(CCOP(=O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=
    O)C[C@@H]([C@H]([C@@H](CO)O)O)O; OC[CH](
    O)[CH](O)[CH](O)CN1C(=O)N(CCCCO[P](O)(O)
    =O)C2=C1NC(=O)NC2=O; OC[C@@H](O)[C@H](O)
    [C@@H](O)CN1C(=O)N(CCCCO[P](O)(O)=O)C2=C
    1NC(=O)NC2=O; O=C1C2=C(NC(=O)N1)N(C(=O)N
    2CCCCOP(=O)(O)O)CC(O)C(O)C(O)CO; C(CCOP(
    =O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=O)CC(C(
    C(CO)O)O)O    		 4-{2,6,8-TRIOXO-9-[(2S,3R,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}BUTYL DIHYDROGEN PHOSPHATE
    38512
    TS1
    DB02135
    ZINC000032304142    		 8 C14 H23 N4 O11 P InChI=1S/C14H23N4O11P/c19
    -6-8(21)10(22)7(20)5-18-1
    1-9(12(23)16-13(24)15-11)
    17(14(18)25)3-1-2-4-29-30
    (26,27)28/h7-8,10,19-22H,
    1-6H2,(H2,26,27,28)(H2,15
    ,16,23,24)/t7-,8-,10+/m1/
    s1;
    VBXZSBKAJFXURR-MRTMQBJTSA-N    		 OC[C@@H](O)[C@@H](O)[C@H](O)CN1C(=O)N(CC
    CCO[P](O)(O)=O)C2=C1NC(=O)NC2=O; OC[CH](
    O)[CH](O)[CH](O)CN1C(=O)N(CCCCO[P](O)(O)
    =O)C2=C1NC(=O)NC2=O; O=C1C2=C(NC(=O)N1)N
    (C(=O)N2CCCCOP(=O)(O)O)CC(O)C(O)C(O)CO;
    C(CCOP(=O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=
    O)CC(C(C(CO)O)O)O; C(CCOP(=O)(O)O)CN1C2=
    C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H
    ](CO)O)O)O    		 4-{2,6,8-TRIOXO-9-[(2R,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}BUTYL DIHYDROGEN PHOSPHATE
    38513
    TS2
    ZINC000008218223    		 1 C27 H47 N9 O10 S2 InChI=1S/C27H47N9O10S2/c2
    8-16(26(43)44)4-6-20(37)3
    5-18-14-47-48-15-19(36-21
    (38)7-5-17(29)27(45)46)25
    (42)34-13-23(40)32-11-3-9
    -30-8-1-2-10-31-22(39)12-
    33-24(18)41/h16-19,30H,1-
    15,28-29H2,(H,31,39)(H,32
    ,40)(H,33,41)(H,34,42)(H,
    35,37)(H,36,38)(H,43,44)(
    H,45,46)/t16-,17-,18-,19-
    /m0/s1;
    LZMSXDHGHZKXJD-VJANTYMQSA-N    		 N[CH](CCC(=O)N[CH]1CSSC[CH](NC(=O)CC[CH]
    (N)C(O)=O)C(=O)NCC(=O)NCCCNCCCCNC(=O)CNC
    1=O)C(O)=O; O=C(O)C(N)CCC(=O)NC1C(=O)NCC
    (=O)NCCCCNCCCNC(=O)CNC(=O)C(NC(=O)CCC(C(
    =O)O)N)CSSC1; C1CCNC(=O)CNC(=O)[C@H](CSS
    C[C@@H](C(=O)NCC(=O)NCCCNC1)NC(=O)CC[C@@
    H](C(=O)O)N)NC(=O)CC[C@@H](C(=O)O)N; C1C
    CNC(=O)CNC(=O)C(CSSCC(C(=O)NCC(=O)NCCCNC
    1)NC(=O)CCC(C(=O)O)N)NC(=O)CCC(C(=O)O)N;
    N[C@@H](CCC(=O)N[C@H]1CSSC[C@H](NC(=O)C
    C[C@H](N)C(O)=O)C(=O)NCC(=O)NCCCNCCCCNC(
    =O)CNC1=O)C(O)=O    		 2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID;
    RING WITH GLUTATHIONE AND SPERMIDINE
    38514
    TS3    		 0 C27 H49 N9 O10 S2 InChI=1/C27H49N9O10S2/c28
    -16(26(43)44)4-6-20(37)35
    -18(14-47)24(41)33-12-22(
    39)31-10-2-1-8-30-9-3-11-
    32-23(40)13-34-25(42)19(1
    5-48)36-21(38)7-5-17(29)2
    7(45)46/h16-19,30,47-48H,
    1-15,28-29H2,(H,31,39)(H,
    32,40)(H,33,41)(H,34,42)(
    H,35,37)(H,36,38)(H,43,44
    )(H,45,46)/t16-,17-,18-,1
    9-/m0/s1/f/h31-36,43,45H;
    PHDOXVGRXXAYEB-LPGGKDDXDI    		 C(CCNC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N
    )CNCCCNC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O
    )N; C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C
    @@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS
    )NC(=O)CC[C@@H](C(=O)O)N; N[CH](CCC(=O)N
    [CH](CS)C(=O)NCC(=O)NCCCCNCCCNC(=O)CNC(=
    O)[CH](CS)NC(=O)CC[CH](N)C(O)=O)C(O)=O;
    O=C(NCC(=O)NCCCNCCCCNC(=O)CNC(=O)C(NC(=O
    )CCC(C(=O)O)N)CS)C(NC(=O)CCC(C(=O)O)N)CS
    ; N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)
    NCCCCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[
    C@H](N)C(O)=O)C(O)=O    		 BIS[[5-GLUTAMYL-CYSTEINYL-GLYCYL]-AMINOPROPYL]AMINE
    38515
    TS4
    DB02553
    ZINC000195757935    		 1 C34 H66 N12 O10 S2 InChI=1S/C34H66N12O10S2/c
    35-11-1-3-13-39-15-5-17-4
    1-29(49)19-43-31(51)25(45
    -27(47)9-7-23(37)33(53)54
    )21-57-58-22-26(46-28(48)
    10-8-24(38)34(55)56)32(52
    )44-20-30(50)42-18-6-16-4
    0-14-4-2-12-36/h23-26,39-
    40H,1-22,35-38H2,(H,41,49
    )(H,42,50)(H,43,51)(H,44,
    52)(H,45,47)(H,46,48)(H,5
    3,54)(H,55,56)/t23-,24-,2
    5+,26+/m1/s1;
    HCMZDPYSWPSKSP-XPGKHFPBSA-N    		 C(CCNCCCNC(=O)CNC(=O)C(CSSCC(C(=O)NCC(=O
    )NCCCNCCCCN)NC(=O)CCC(C(=O)O)N)NC(=O)CCC
    (C(=O)O)N)CN; NCCCCNCCCNC(=O)CNC(=O)[CH]
    (CSSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC
    (=O)NCCCNCCCCN)NC(=O)CC[CH](N)C(O)=O; NC
    CCCNCCCNC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=
    O)CC[C@@H](N)C(O)=O)C(=O)NCC(=O)NCCCNCCC
    CN)NC(=O)CC[C@@H](N)C(O)=O; C(CCNCCCNC(=
    O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)NC
    CCNCCCCN)NC(=O)CC[C@H](C(=O)O)N)NC(=O)CC
    [C@H](C(=O)O)N)CN; O=C(NC(C(=O)NCC(=O)NC
    CCNCCCCN)CSSCC(C(=O)NCC(=O)NCCCNCCCCN)NC
    (=O)CCC(C(=O)O)N)CCC(C(=O)O)N    		 GLUTATHIONYLSPERMIDINE DISULFIDE
    38516
    TS5
    DB03295
    ZINC000003869959    		 3 C17 H34 N6 O5 S InChI=1S/C17H34N6O5S/c18-
    6-1-2-7-20-8-3-9-21-15(25
    )10-22-16(26)13(11-29)23-
    14(24)5-4-12(19)17(27)28/
    h12-13,20,29H,1-11,18-19H
    2,(H,21,25)(H,22,26)(H,23
    ,24)(H,27,28)/t12-,13-/m0
    /s1;
    NEDQLXHBVHSKNV-STQMWFEESA-N    		 C(CCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C
    @@H](C(=O)O)N)CN; O=C(NCC(=O)NCCCNCCCCN)
    C(NC(=O)CCC(C(=O)O)N)CS; NCCCCNCCCNC(=O)
    CNC(=O)[CH](CS)NC(=O)CC[CH](N)C(O)=O; NC
    CCCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@
    H](N)C(O)=O; C(CCNCCCNC(=O)CNC(=O)C(CS)N
    C(=O)CCC(C(=O)O)N)CN    		 GLUTATHIONYLSPERMIDINE
    38517
    TS6    		 50 H3 O3 P S InChI=1S/H3O3PS/c1-4(2,3)
    5/h(H3,1,2,3,5);
    RYYWUUFWQRZTIU-UHFFFAOYSA-N    		 OP(=O)(O)S; O[P](O)(S)=O; O=P(O)(O)S Monothiophosphate;
    phosphorothioic O,O,S-acid
    38518
    TS7    		 2 C30 H32 N2 O3 InChI=1S/C30H32N2O3/c1-2-
    16-31-19-26(20-31)35-25-1
    1-8-21(9-12-25)28-27-13-1
    0-24(33)17-23(27)18-30(14
    -15-30)32(28)29(34)22-6-4
    -3-5-7-22/h3-13,17,26,28,
    33H,2,14-16,18-20H2,1H3/t
    28-/m1/s1;
    GPFZMYCFXRTLLF-MUUNZHRXSA-N    		 CCCN1CC(C1)Oc2ccc(cc2)[C@@H]3c4ccc(cc4CC
    5(N3C(=O)c6ccccc6)CC5)O; CCCN1CC(C1)Oc2c
    cc(cc2)[CH]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc
    (O)ccc36; CCCN1CC(C1)Oc1ccc(cc1)C1c2ccc(
    O)cc2CC2(CC2)N1C(=O)c1ccccc1; CCCN1CC(C1
    )Oc2ccc(cc2)C3c4ccc(cc4CC5(N3C(=O)c6cccc
    c6)CC5)O; CCCN1CC(C1)Oc2ccc(cc2)[C@H]3N(
    C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36    		 [(1'R)-6'-hydroxy-1'-{4-[(1-propylazetidin-3-yl)oxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
    38519
    TS8
    CHEMBL3774645
    ZINC000003860849    		 2 C14 H20 O9 S InChI=1S/C14H20O9S/c1-6(1
    5)19-5-10-11(20-7(2)16)12
    (21-8(3)17)13(14(24)23-10
    )22-9(4)18/h10-14,24H,5H2
    ,1-4H3/t10-,11-,12+,13-,1
    4+/m1/s1;
    SFOZKJGZNOBSHF-RGDJUOJXSA-N    		 CC(=O)OC[CH]1O[CH](S)[CH](OC(C)=O)[CH](O
    C(C)=O)[CH]1OC(C)=O; CC(=O)OC[C@H]1O[C@@
    H](S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]
    1OC(C)=O; O=C(OCC1OC(S)C(OC(=O)C)C(OC(=O
    )C)C1OC(=O)C)C; CC(=O)OC[C@@H]1[C@H]([C@
    @H]([C@H]([C@@H](O1)S)OC(=O)C)OC(=O)C)OC
    (=O)C; CC(=O)OCC1C(C(C(C(O1)S)OC(=O)C)OC
    (=O)C)OC(=O)C    		 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose;
    3,4,5-TRIACETYLOXY-6-(ACETYLOXYMETHYL)OXANE-2-THIOL;
    2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucose;
    2,3,4,6-tetra-O-acetyl-1-thio-D-glucose;
    2,3,4,6-tetra-O-acetyl-1-thio-glucose
    38520
    TS9
    ZINC000058632099    		 0 C6 H13 N O4 InChI=1S/C6H13NO4/c1-3(8)
    6(2,11)4(7)5(9)10/h3-4,8,
    11H,7H2,1-2H3,(H,9,10)/t3
    -,4-,6-/m1/s1;
    QYQDTSNOBSCUAW-ZMIZWQJLSA-N    		 C[CH](O)[C](C)(O)[CH](N)C(O)=O; O=C(O)C(
    N)C(O)(C)C(O)C; C[C@@H](O)[C@@](C)(O)[C@
    H](N)C(O)=O; CC(C(C)(C(C(=O)O)N)O)O; C[C
    @H]([C@](C)([C@@H](C(=O)O)N)O)O    		 (2S,3S,4R)-2-amino-3,4-dihydroxy-3-methylpentanoic acid
    38521
    TSA
    CHEMBL197577
    DB08648
    ZINC000005851130    		 51 C10 H12 O6 InChI=1S/C10H12O6/c11-5-1
    -2-10(9(14)15)3-6(5)16-7(
    4-10)8(12)13/h1-2,5-7,11H
    ,3-4H2,(H,12,13)(H,14,15)
    /t5-,6-,7+,10+/m1/s1;
    KRZHNRULRHECRF-JQCUSGDOSA-N    		 O=C(O)C1OC2C(O)C=CC(C(=O)O)(C1)C2; O[C@@
    H]1C=C[C@@]2(C[C@H]1O[C@@H](C2)C(O)=O)C(
    O)=O; C1C2C(C=CC1(CC(O2)C(=O)O)C(=O)O)O;
    C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O
    )O)C(=O)O)O; O[CH]1C=C[C]2(C[CH]1O[CH](C
    2)C(O)=O)C(O)=O    		 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID
    38522
    TSB
    CHEMBL1163068
    DB03355
    ZINC000015524571    		 20 C14 H21 N7 O8 S InChI=1S/C14H21N7O8S/c1-5
    (22)7(15)13(25)20-30(26,2
    7)28-2-6-9(23)10(24)14(29
    -6)21-4-19-8-11(16)17-3-1
    8-12(8)21/h3-7,9-10,14,22
    -24H,2,15H2,1H3,(H,20,25)
    (H2,16,17,18)/t5-,6-,7+,9
    -,10-,14-/m1/s1;
    UPVAPSGKXAAHBG-CKTDUXNWSA-N    		 C[CH](O)[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O
    [CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23; C[C
    @@H](O)[C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1
    O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
    ; CC(C(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc
    3c2ncnc3N)O)O)N)O; O=C(NS(=O)(=O)OCC3OC(
    n2cnc1c(ncnc12)N)C(O)C3O)C(N)C(O)C; C[C@
    H]([C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H](
    [C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O    		 5'-O-(N-(L-THREONYL)-SULFAMOYL)ADENOSINE
    38523
    TSC
    DB08649
    ZINC000053683275    		 6 C10 H12 N2 O InChI=1S/C10H12N2O/c11-10
    (13)5-7-6-12-9-4-2-1-3-8(
    7)9/h1-4,6,10,12-13H,5,11
    H2/t10-/m0/s1;
    WNWJSYYPDDQIQV-JTQLQIEISA-N    		 OC(N)Cc2c1ccccc1nc2; c1ccc2c(c1)c(c[nH]2
    )CC(N)O; c1ccc2c(c1)c(c[nH]2)C[C@@H](N)O
    ; N[CH](O)Cc1c[nH]c2ccccc12; N[C@@H](O)C
    c1c[nH]c2ccccc12    		 (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL
    38524
    TSD    		 1 C6 H9 O2 Si InChI=1S/C6H14O2Si/c1-9(2
    ,3)5-4-6(7)8/h4-5H2,1-3H3
    ,(H,7,8)/p-1/i4D2,5D2;
    NONFLFDSOSZQHR-CQOLUAMGSA-M    		 [2H]C([2H])(C([O-])=O)C([2H])([2H])[Si](
    C)(C)C; C[Si](C)(C)C(C(C([O-])=O)([2H])[
    2H])([2H])[2H]; [2H]C([2H])(C(=O)[O-])C(
    [2H])([2H])[Si](C)(C)C    		 3-TRIMETHYLSILYL-PROPIONATE-2,2,3,3,-D4
    38525
    TSE    		 0 C2 H5 O4 P S InChI=1S/C2H5O4PS/c3-2(4)
    1-7(5,6)8/h1H2,(H,3,4)(H2
    ,5,6,8);
    KUUMDZYFBMADNM-UHFFFAOYSA-N    		 C(C(=O)O)P(=S)(O)O; OC(=O)C[P](O)(O)=S;
    O=C(O)CP(=S)(O)O    		 THIOPHOSPHONOACETIC ACID
    38526
    TSF
    ZINC000016051867    		 10 C15 H23 F2 N4 O10 P InChI=1S/C15H23F2N4O10P/c
    16-15(17,32(29,30)31)3-1-
    2-4-20-9-11(18-13(27)19-1
    2(9)26)21(14(20)28)5-7(23
    )10(25)8(24)6-22/h7-8,10,
    22-25H,1-6H2,(H2,29,30,31
    )(H2,18,19,26,27)/t7-,8-,
    10+/m1/s1;
    ZBEBHCIQAVPUSI-MRTMQBJTSA-N    		 FC(F)(P(=O)(O)O)CCCCN2C=1C(=O)NC(=O)NC=1
    N(C2=O)CC(O)C(O)C(O)CO; C(CCN1C2=C(NC(=O
    )NC2=O)N(C1=O)CC(C(C(CO)O)O)O)CC(F)(F)P(
    =O)(O)O; OC[CH](O)[CH](O)[CH](O)CN1C(=O)
    N(CCCCC(F)(F)[P](O)(O)=O)C2=C1NC(=O)NC2=
    O; OC[C@@H](O)[C@@H](O)[C@H](O)CN1C(=O)N
    (CCCCC(F)(F)[P](O)(O)=O)C2=C1NC(=O)NC2=O
    ; C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([
    C@@H]([C@@H](CO)O)O)O)CC(F)(F)P(=O)(O)O    		 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1,1 DIFLUOROPENTANE-1-PHOSPHATE
    38527
    TSH    		 9 C10 H10 N2 InChI=1S/C10H10N2/c11-6-5
    -8-7-12-10-4-2-1-3-9(8)10
    /h1-4,6-7,11-12H,5H2/b11-
    6-;
    DCXUMIPCJIGNQW-WDZFZDKYSA-N    		 N=CCc1c[nH]c2ccccc12; [H]N=CCc1c[nH]c2c1
    cccc2; [N@H]=CCc2c1ccccc1nc2; [H]/N=C\Cc
    1c[nH]c2c1cccc2    		 2-(1H-INDOL-3-YL)ETHANIMINE
    38528
    TSI
    DB02847    		 0 C5 H13 N O2 InChI=1S/C5H13NO2/c1-4(7)
    5(2,8)3-6/h4,7-8H,3,6H2,1
    -2H3/t4-,5+/m1/s1;
    CNLUNMTZBAHKFI-UHNVWZDZSA-N    		 CC(C(C)(CN)O)O; C[C@H]([C@](C)(CN)O)O; C
    [C@@H](O)[C@@](C)(O)CN; C[CH](O)[C](C)(O
    )CN; OC(C)C(O)(C)CN    		 (2S,3R)-1-AMINO-2-METHYLBUTANE-2,3-DIOL
    38529
    TSJ
    CHEMBL3986668
    ZINC000230586492    		 1 C20 H16 F3 N3 O3 InChI=1S/C20H16F3N3O3/c1-
    10-5-13(8-14(6-10)20(21,2
    2)23)16-9-17(26-25-16)24-
    18(27)15-4-3-12(19(28)29)
    7-11(15)2/h3-9H,1-2H3,(H,
    28,29)(H2,24,25,26,27);
    MLGFDWKUOYDRDY-UHFFFAOYSA-N    		 FC(F)(F)c1cc(cc(c1)C)c2cc(nn2)NC(=O)c3c(
    cc(cc3)C(=O)O)C; Cc1cc(cc(c1)C(F)(F)F)c2
    cc([nH]n2)NC(=O)c3ccc(cc3C)C(=O)O; Cc1cc
    (cc(c1)C(F)(F)F)c2cc([nH]n2)NC(=O)c3ccc(
    cc3C)C(O)=O    		 3-methyl-4-({3-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}carbamoyl)benzoic acid
    38530
    TSK
    CHEMBL523435
    ZINC000042890611    		 2 C22 H14 F I N2 O4 InChI=1S/C22H14FIN2O4/c1-
    26-8-12(11-6-14(23)15(24)
    7-16(11)26)18-19(22(28)25
    -21(18)27)13-9-30-20-10(1
    3)4-3-5-17(20)29-2/h3-9H,
    1-2H3,(H,25,27,28);
    JBKILIGSDAQHSL-UHFFFAOYSA-N    		 Ic1cc2c(cc1F)c(cn2C)C=5C(=O)NC(=O)C=5c3c
    4cccc(OC)c4oc3; COc1cccc2c1occ2C3=C(C(=O
    )NC3=O)c4cn(C)c5cc(I)c(F)cc45; Cn1cc(c2c
    1cc(c(c2)F)I)C3=C(C(=O)NC3=O)c4coc5c4ccc
    c5OC    		 3-(5-fluoro-6-iodo-1-methyl-1H-indol-3-yl)-4-(7-methoxy-1-benzofuran-3-yl)-1H-pyrrole-2,5-dione
    38531
    TSL
    ZINC000033821544    		 28 C8 H13 N O5 S InChI=1S/C8H13NO5S/c1-8(2
    ,15(13)14)6(7(11)12)9-4-3
    -5-10/h3-6,9H,1-2H3,(H,11
    ,12)(H,13,14)/b4-3+/t6-/m
    0/s1;
    DPHUOYJKDIRKGT-YUDCMIJISA-N    		 CC(C)(C(C(=O)O)NC=CC=O)S(=O)O; CC(C)([C@
    H](C(=O)O)N/C=C/C=O)[S@@](=O)O; CC(C)([C
    H](NC=CC=O)C(O)=O)[S](O)=O; O=S(O)C(C(N\
    C=C\C=O)C(=O)O)(C)C; CC(C)([C@@H](N\C=C\
    C=O)C(O)=O)[S](O)=O    		 TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
    38532
    TSM
    ZINC000001602578    		 0 C4 H10 O3 S InChI=1S/C4H10O3S/c1-4(2,
    3)8(5,6)7/h1-3H3,(H,5,6,7
    );
    XCJGLBWDZKLQCY-UHFFFAOYSA-N    		 O=S(=O)(O)C(C)(C)C; CC(C)(C)[S](O)(=O)=O
    ; CC(C)(C)S(=O)(=O)O    		 2-methylpropane-2-sulfonic acid
    38533
    TSN
    CHEMBL99
    DB04297
    ZINC000100014731    		 45 C17 H22 N2 O3 InChI=1S/C17H22N2O3/c1-12
    (5-10-16(20)18-22)11-13(2
    )17(21)14-6-8-15(9-7-14)1
    9(3)4/h5-11,13,22H,1-4H3,
    (H,18,20)/b10-5+,12-11+/t
    13-/m1/s1;
    RTKIYFITIVXBLE-QEQCGCAPSA-N    		 C[CH](C=C(C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(
    C)C; C[C@H](\C=C(C)\C=C\C(=O)NO)C(=O)c1c
    cc(cc1)N(C)C; O=C(NO)\C=C\C(=C\C(C(=O)c1
    ccc(N(C)C)cc1)C)C; CC(C=C(C)C=CC(=O)NO)C
    (=O)c1ccc(cc1)N(C)C; C[C@H](\C=C(/C)\C=C
    \C(=O)NO)C(=O)c1ccc(cc1)N(C)C    		 TRICHOSTATIN A;
    7-[4-(DIMETHYLAMINO)PHENYL]-N-HYDROXY-4,6-DIMETHYL-7-OXO-2,4-HEPTADIENAMIDE
    38534
    TSO    		 0 C10 H12 O6 InChI=1S/C10H12O6/c11-5-1
    -2-10(9(14)15)3-6(5)16-7(
    4-10)8(12)13/h1-2,5-7,11H
    ,3-4H2,(H,12,13)(H,14,15)
    /t5-,6-,7+,10+/m1/s1;
    KRZHNRULRHECRF-JQCUSGDOSA-N    		 O=C(O)C1OC2C(O)C=CC(C(=O)O)(C1)C2; O[C@@
    H]1C=C[C@@]2(C[C@H]1O[C@@H](C2)C(O)=O)C(
    O)=O; C1C2C(C=CC1(CC(O2)C(=O)O)C(=O)O)O;
    C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O
    )O)C(=O)O)O; O[CH]1C=C[C]2(C[CH]1O[CH](C
    2)C(O)=O)C(O)=O    		 (1R,3S,5S,8R)-8-HYDROXY-2-OXABICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID
    38535
    TSP
    DB08651
    ZINC000033516765    		 2 C10 H15 N2 O7 P S InChI=1S/C10H15N2O7PS/c1-
    5-3-12(10(14)11-9(5)13)8-
    2-7(21)6(19-8)4-18-20(15,
    16)17/h3,6-8,21H,2,4H2,1H
    3,(H,11,13,14)(H2,15,16,1
    7)/t6-,7+,8-/m1/s1;
    BORVFKJZAOEGOO-GJMOJQLCSA-N    		 P(=O)(O)(O)OCC1OC(CC1S)N2C(=O)NC(=O)C(C)
    =C2; CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)
    (O)O)S; CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H](
    [C@H](O2)COP(=O)(O)O)S; CC1=CN([CH]2C[CH
    ](S)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O; CC
    1=CN([C@H]2C[C@H](S)[C@@H](CO[P](O)(O)=O
    )O2)C(=O)NC1=O    		 3'-THIO-THYMIDINE-5'-PHOSPHATE
    38536
    TSQ    		 1 C12 H19 N O2 Si InChI=1S/C12H19NO2Si/c1-1
    6(2,3)10-6-4-9(5-7-10)8-1
    1(13)12(14)15/h4-7,11H,8,
    13H2,1-3H3,(H,14,15)/t11-
    /m0/s1;
    YJYWOZDNAZTLQC-NSHDSACASA-N    		 C[Si](C)(C)c1ccc(cc1)CC(C(=O)O)N; C[Si](
    C)(C)c1ccc(cc1)C[C@@H](C(=O)O)N; c1cc(CC
    (C(O)=O)N)ccc1[Si](C)(C)C; C[Si](C)(C)c1
    ccc(C[CH](N)C(O)=O)cc1; C[Si](C)(C)c1ccc
    (C[C@H](N)C(O)=O)cc1    		 4-(trimethylsilyl)-L-phenylalanine
    38537
    TSR
    DB08652
    ZINC000000409269    		 8 C10 H10 N2 O InChI=1S/C10H10N2O/c11-10
    (13)5-7-6-12-9-4-2-1-3-8(
    7)9/h1-4,6,12H,5H2,(H2,11
    ,13);
    ZOAMBXDOGPRZLP-UHFFFAOYSA-N    		 c1ccc2c(c1)c(c[nH]2)CC(=O)N; NC(=O)Cc1c[
    nH]c2ccccc12; O=C(N)Cc2c1ccccc1nc2    		 2-(1H-INDOL-3-YL)ACETAMIDE
    38538
    TSS
    CHEMBL6640
    DB08653
    ZINC000000120144    		 26 C10 H12 N2 InChI=1S/C10H12N2/c11-6-5
    -8-7-12-10-4-2-1-3-9(8)10
    /h1-4,7,12H,5-6,11H2;
    APJYDQYYACXCRM-UHFFFAOYSA-N    		 NCCc1c[nH]c2ccccc12; c1ccc2c(c1)c(c[nH]2
    )CCN; c1cccc2c1c(cn2)CCN    		 2-(1H-INDOL-3-YL)ETHANAMINE;
    TRYPTAMINE
    38539
    TST
    DB04012
    ZINC000006522612    		 1 C18 H26 N2 O5 S2 InChI=1S/C18H26N2O5S2/c1-
    12(2)10-15(18(22)23)19-17
    (21)16-11-26-9-8-20(16)27
    (24,25)14-6-4-13(3)5-7-14
    /h4-7,12,15-16H,8-11H2,1-
    3H3,(H,19,21)(H,22,23)/t1
    5-,16-/m0/s1;
    GFEHACHKMVZGNQ-HOTGVXAUSA-N    		 Cc1ccc(cc1)S(=O)(=O)N2CCSC[C@H]2C(=O)N[C
    @@H](CC(C)C)C(=O)O; CC(C)C[CH](NC(=O)[CH
    ]1CSCCN1[S](=O)(=O)c2ccc(C)cc2)C(O)=O; C
    C(C)C[C@H](NC(=O)[C@@H]1CSCCN1[S](=O)(=O
    )c2ccc(C)cc2)C(O)=O; Cc1ccc(cc1)S(=O)(=O
    )N2CCSCC2C(=O)NC(CC(C)C)C(=O)O; O=S(=O)(
    N1C(C(=O)NC(C(=O)O)CC(C)C)CSCC1)c2ccc(cc
    2)C    		 4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-THIOMORPHOLINE-3-CARBONYL]-AMINO}-PENTANOIC ACID;
    (3R)-4-(P-TOLUENESULFONYL)-1,4-THIAZANE-3-CARBOXYLIC ACID-L-LEUCINE
    38540
    TSU
    CHEMBL541253
    DB03120
    ZINC000006427042    		 21 C7 H8 O3 S InChI=1S/C7H8O3S/c1-6-2-4
    -7(5-3-6)11(8,9)10/h2-5H,
    1H3,(H,8,9,10);
    JOXIMZWYDAKGHI-UHFFFAOYSA-N    		 Cc1ccc(cc1)[S](O)(=O)=O; O=S(=O)(O)c1ccc
    (cc1)C; Cc1ccc(cc1)S(=O)(=O)O    		 PARA-TOLUENE SULFONATE
    38541
    TSV
    ZINC000150345677    		 11 C35 H44 F N5 O9 S InChI=1S/C35H44FN5O9S/c1-
    34(2,3)50-32(45)37-27-13-
    8-6-4-5-7-11-22-17-35(22,
    31(44)39-51(47,48)24-14-1
    5-24)38-29(42)28-16-23(19
    -41(28)30(27)43)49-33(46)
    40-18-21-10-9-12-26(36)25
    (21)20-40/h7,9-12,18,20,2
    2-24,27-28H,4-6,8,13-17,1
    9H2,1-3H3,(H,37,45)(H,38,
    42)(H,39,44)/b11-7-/t22-,
    23-,27+,28+,35-/m1/s1;
    YUWURHBDLJOUAP-JSZLBQEHSA-N    		 CC(C)(C)OC(=O)N[CH]1CCCCCC=C[CH]2C[C]2(N
    C(=O)[CH]3C[CH](CN3C1=O)OC(=O)n4cc5cccc(
    F)c5c4)C(=O)N[S](=O)(=O)C6CC6; CC(C)(C)O
    C(=O)NC1CCCCCC=CC2CC2(NC(=O)C3CC(CN3C1=O
    )OC(=O)n4cc5cccc(c5c4)F)C(=O)NS(=O)(=O)C
    6CC6; CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@
    @H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)O
    C(=O)n4cc5cccc(c5c4)F)C(=O)NS(=O)(=O)C6C
    C6; CC(C)(C)OC(=O)N[C@H]1CCCCC\C=C/[C@@H
    ]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(
    =O)n4cc5cccc(F)c5c4)C(=O)N[S](=O)(=O)C6C
    C6; O=S(=O)(NC(=O)C12NC(=O)C5N(C(=O)C(NC
    (=O)OC(C)(C)C)CCCCCC=CC2C1)CC(OC(=O)n4cc
    3cccc(F)c3c4)C5)C6CC6    		 (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate;
    ITMN-191;
    danoprevir
    38542
    TSW    		 1 C19 H16 N6 O2 S2 InChI=1S/C19H16N6O2S2/c26
    -14(23-18-22-9-11-28-18)1
    2-29-19-24-16-15(20-7-8-2
    1-16)17(27)25(19)10-6-13-
    4-2-1-3-5-13/h1-5,7-9,11H
    ,6,10,12H2,(H,22,23,26);
    ANHMCIKPOJARRV-UHFFFAOYSA-N    		 c1ccc(cc1)CCN2C(=O)c3c(nccn3)N=C2SCC(=O)
    Nc4nccs4; O=C(CSC1=Nc2nccnc2C(=O)N1CCc3c
    cccc3)Nc4sccn4    		 2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-~{N}-(1,3-thiazol-2-yl)ethanamide
    38543
    TSX
    CHEMBL120293
    DB03267
    ZINC000015677757    		 1 C21 H25 N5 O3 InChI=1S/C21H25N5O3/c1-4-
    6-12-25-19-18(20(28)26(11
    -5-2)21(25)29)23-17(24-19
    )13-15-7-9-16(10-8-15)22-
    14(3)27/h5,7-10H,2,4,6,11
    -13H2,1,3H3,(H,22,27)(H,2
    3,24);
    XFOWZKUTPKXWIE-UHFFFAOYSA-N    		 CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NC(=O)C)C(
    =O)N(C1=O)CC=C; CCCCN1C(=O)N(CC=C)C(=O)c
    2[nH]c(Cc3ccc(NC(C)=O)cc3)nc12; O=C(Nc1c
    cc(cc1)Cc3nc2N(C(=O)N(C(=O)c2n3)C\C=C)CC
    CC)C    		 N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-PHENYL]-ACETAMIDE;
    1-ALLYL-3-BUTYL-8-(N-ACETYL-4-AMINOBENZYL)-XANTHINE
    38544
    TSY    		 0 C3 H7 N O2 S3 InChI=1S/C3H7NO2S3/c4-2(3
    (5)6)1-8-9-7/h2,7H,1,4H2,
    (H,5,6)/t2-/m0/s1;
    WBUQYANSBCOQMP-REOHCLBHSA-N    		 N[CH](CSSS)C(O)=O; C([C@@H](C(=O)O)N)SSS
    ; N[C@@H](CSSS)C(O)=O; C(C(C(=O)O)N)SSS;
    O=C(O)C(N)CSSS    		 (2S)-2-amino-3-trisulfanylpropanoic acid
    38545
    TSZ
    CHEMBL256250
    ZINC000008830546    		 1 C H5 N3 S InChI=1S/CH5N3S/c2-1(5)4-
    3/h3H2,(H3,2,4,5);
    BRWIZMBXBAOCCF-UHFFFAOYSA-N    		 NNC(N)=S; C(=S)(N)NN; S=C(N)NN HYDRAZINECARBOTHIOAMIDE;
    THIOSEMICARBAZIDE
    38546
    TT
    ZINC000058661559    		 0 C21 H29 N4 O13 P InChI=1S/C21H29N4O13P/c1-
    20-14-15-21(20,2)17(28)23
    -19(30)25(15)13-4-9(11(38
    -13)6-36-39(31,32)33)35-7
    -34-5-10-8(26)3-12(37-10)
    24(14)18(29)22-16(20)27/h
    8-15,26H,3-7H2,1-2H3,(H,2
    2,27,29)(H,23,28,30)(H2,3
    1,32,33)/t8-,9-,10+,11+,1
    2+,13+,14+,15-,20-,21+/m0
    /s1;
    OEDVFXVLZFMULF-LLNRWBJTSA-N    		 C[C]12[CH]3[CH]4N([CH]5C[CH](OCOC[CH]6O[
    CH](C[CH]6O)N3C(=O)NC1=O)[CH](CO[P](O)(O
    )=O)O5)C(=O)NC(=O)[C]24C; CC12C3C4C1(C(=
    O)NC(=O)N4C5CC(C(O5)COP(=O)(O)O)OCOCC6C(
    CC(N3C(=O)NC2=O)O6)O)C; C[C@@]12[C@H]3[C
    @H]4[C@@]1(C(=O)NC(=O)N4[C@H]5C[C@@H]([C
    @H](O5)COP(=O)(O)O)OCOC[C@@H]6[C@H](C[C@
    H](N3C(=O)NC2=O)O6)O)C; O=C2NC(=O)C6(C)C
    1(C(=O)NC(=O)N3C1C6N2C5OC(COP(=O)(O)O)C(
    OCOCC4OC3CC4O)C5)C; C[C@]12[C@H]3[C@@H]4
    N([C@H]5C[C@H](OCOC[C@H]6O[C@H](C[C@@H]6
    O)N3C(=O)NC1=O)[C@@H](CO[P](O)(O)=O)O5)C
    (=O)NC(=O)[C@]24C
    38547
    TT0    		 70 C86 H172 O6 InChI=1S/C86H172O6/c1-69-
    29-17-33-73(5)41-25-49-81
    (13)57-61-89-67-85(65-87)
    91-63-59-83(15)52-28-44-7
    6(8)36-20-32-72(4)40-24-4
    8-80(12)56-54-78(10)46-22
    -38-70(2)30-18-34-74(6)42
    -26-50-82(14)58-62-90-68-
    86(66-88)92-64-60-84(16)5
    1-27-43-75(7)35-19-31-71(
    3)39-23-47-79(11)55-53-77
    (9)45-21-37-69/h69-88H,17
    -68H2,1-16H3/t69-,70-,71-
    ,72-,73-,74-,75+,76+,77+,
    78+,79+,80+,81-,82-,83+,8
    4+,85-,86-/m0/s1;
    VMHUDYKDOMRJOK-PFTGJOHNSA-N    		 CC1CCCC(CCCC(CCOCC(OCCC(CCCC(CCCC(CCCC(C
    CC(CCCC(CCCC(CCCC(CCOCC(OCCC(CCCC(CCCC(C
    CCC(CCC(CCC1)C)C)C)C)C)CO)C)C)C)C)C)C)C)
    C)CO)C)C; 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@@H](CO)COCC[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](CO)COCC[C@@H](C)CCC1; C[CH]1CCC[CH](C
    )CCC[CH](C)CC[CH](C)CCC[CH](C)CCC[CH](C)
    CCC[CH](C)CCO[CH](CO)COCC[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](CO)COCC[CH]
    (C)CCC1; C[C@H]1CCC[C@@H](CCC[C@@H](CCOC
    [C@@H](OCC[C@@H](CCC[C@@H](CCC[C@@H](CCC
    [C@H](CC[C@@H](CCC[C@H](CCC[C@@H](CCC[C@
    @H](CCOC[C@@H](OCC[C@@H](CCC[C@@H](CCC[C
    @@H](CCC[C@H](CC[C@@H](CCC1)C)C)C)C)C)CO
    )C)C)C)C)C)C)C)C)CO)C)C    		 [(2~{S},7~{S},11~{S},15~{S},19~{R},22~{R},26~{S},30~{R},34~{R},38~{S},43~{S},47~{S},51~{S},55~{R},58~{R},62~{S},66~{R},70~{R})-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol
    38548
    TT1
    CHEMBL253519
    ZINC000006495968    		 1 C20 H16 Cl N3 S2 InChI=1S/C20H16ClN3S2/c21
    -17-10-5-4-9-16(17)14-26-
    20-23-22-19(18-11-6-12-25
    -18)24(20)13-15-7-2-1-3-8
    -15/h1-12H,13-14H2;
    FMDVHVQWAJPVKM-UHFFFAOYSA-N    		 c1ccc(cc1)Cn2c(nnc2SCc3ccccc3Cl)c4cccs4;
    Clc1ccccc1CSc2nnc(n2Cc3ccccc3)c4sccc4;
    Clc1ccccc1CSc3nnc(c2sccc2)n3Cc4ccccc4    		 4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4H-1,2,4-triazole
    38549
    TT2    		 1 C35 H52 O3 InChI=1S/C35H52O3/c1-22(6
    -4-8-33(38)35-19-25-14-26
    (20-35)16-27(15-25)21-35)
    29-11-12-30-28(7-5-13-34(
    29,30)3)10-9-24-17-31(36)
    23(2)32(37)18-24/h4,6,9-1
    0,22,25-27,29-33,36-38H,2
    ,5,7-8,11-21H2,1,3H3/b6-4
    +,28-10+/t22-,25-,26+,27-
    ,29+,30-,31+,32+,33+,34+,
    35-/m0/s1;
    MOSWJCBKXGNCIG-HBOJQGNGSA-N    		 C[C@@H](\C=C\C[C@H](C12CC3CC(C1)CC(C3)C2
    )O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C
    [C@H](C(=C)[C@@H](C6)O)O)C; CC(C=CCC(C12
    CC3CC(C1)CC(C3)C2)O)C4CCC5C4(CCCC5=CC=C6
    CC(C(=C)C(C6)O)O)C; C[CH](C=CC[CH](O)C12
    CC3CC(CC(C3)C1)C2)[CH]4CC[CH]5C(CCC[C]45
    C)=CC=C6C[CH](O)C(=C)[CH](O)C6; C[C@@H](
    \C=C\C[C@@H](O)C12CC3CC(CC(C3)C1)C2)[C@H
    ]4CC[C@H]5\C(CCC[C@]45C)=C\C=C6\C[C@@H](
    O)C(=C)[C@H](O)C6; OC6/C(=C)C(O)CC(=C\C=
    C2\C1CCC(C1(C)CCC2)C(/C=C/CC(O)C35CC4CC(
    CC(C3)C4)C5)C)\C6    		 (1R,3R,7E,17beta)-17-{(1S,2E,5R)-5-hydroxy-1-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]pent-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
    38550
    TT3
    ZINC000058332455    		 3 C10 H12 F N O2 InChI=1S/C10H12FNO2/c1-12
    (2)10(13)7-14-9-5-3-4-8(1
    1)6-9/h3-6H,7H2,1-2H3;
    CEYGCTDHMLPHQC-UHFFFAOYSA-N    		 CN(C)C(=O)COc1cccc(F)c1; CN(C)C(=O)COc1c
    ccc(c1)F    		 2-(3-fluorophenoxy)-N,N-dimethylacetamide
    38551
    TT4
    ZINC000000039697    		 2 C8 H9 N5 InChI=1S/C8H9N5/c9-7-11-8
    (10)13(12-7)6-4-2-1-3-5-6
    /h1-5H,(H4,9,10,11,12);
    QCYJCZJMOAWVPC-UHFFFAOYSA-N    		 c1ccc(cc1)n2c(nc(n2)N)N; Nc1nn(c2ccccc2)
    c(N)n1; n1c(N)n(nc1N)c2ccccc2    		 1-phenyl-1H-1,2,4-triazole-3,5-diamine
    38552
    TT5    		 2 C31 H34 N2 O3 InChI=1S/C31H34N2O3/c34-2
    6-11-14-28-25(21-26)22-31
    (15-16-31)33(30(35)24-7-3
    -1-4-8-24)29(28)23-9-12-2
    7(13-10-23)36-20-19-32-17
    -5-2-6-18-32/h1,3-4,7-14,
    21,29,34H,2,5-6,15-20,22H
    2/t29-/m1/s1;
    BYQGDTXJSFJTRF-GDLZYMKVSA-N    		 c1ccc(cc1)C(=O)N2[C@@H](c3ccc(cc3CC24CC4
    )O)c5ccc(cc5)OCCN6CCCCC6; Oc1cc2CC3(CC3)
    N(C(c2cc1)c1ccc(OCCN2CCCCC2)cc1)C(=O)c1c
    cccc1; Oc1ccc2[C@H](N(C(=O)c3ccccc3)C4(C
    C4)Cc2c1)c5ccc(OCCN6CCCCC6)cc5; c1ccc(cc
    1)C(=O)N2C(c3ccc(cc3CC24CC4)O)c5ccc(cc5)
    OCCN6CCCCC6; Oc1ccc2[CH](N(C(=O)c3ccccc3
    )C4(CC4)Cc2c1)c5ccc(OCCN6CCCCC6)cc5    		 [(1'R)-6'-hydroxy-1'-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
    38553
    TT6
    ZINC000035250884    		 1 C12 H11 N3 S InChI=1S/C12H11N3S/c1-8-1
    1(16-12(14)15-8)6-9-2-4-1
    0(7-13)5-3-9/h2-5H,6H2,1H
    3,(H2,14,15);
    GRAVLCQUTREOOB-UHFFFAOYSA-N    		 Cc1c(sc(n1)N)Cc2ccc(cc2)C#N; Cc1nc(N)sc1
    Cc2ccc(cc2)C#N    		 4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile
    38554
    TT7    		 0 C6 H13 O9 P InChI=1S/C6H13O9P/c7-1-3-
    4(15-16(11,12)13)5(9)6(10
    ,2-8)14-3/h3-5,7-10H,1-2H
    2,(H2,11,12,13)/t3-,4-,5+
    ,6-/m1/s1;
    IPJUIZZQMKRPQG-ARQDHWQXSA-N    		 C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)OP
    (=O)(O)O)O; OC[CH]1O[C](O)(CO)[CH](O)[CH
    ]1O[P](O)(O)=O; OC1(OC(C(C1O)OP(=O)(O)O)
    CO)CO; C(C1C(C(C(O1)(CO)O)O)OP(=O)(O)O)O
    ; OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[
    P](O)(O)=O    		 4-O-phosphono-beta-D-fructofuranose
    38555
    TT8
    CHEMBL2171174    		 1 C15 H22 N6 O5 S InChI=1S/C15H22N6O5S/c1-1
    7-12-9-13(19-5-18-12)21(6
    -20-9)14-11(23)10(22)8(26
    -14)4-27-3-2-7(16)15(24)2
    5/h5-8,10-11,14,22-23H,2-
    4,16H2,1H3,(H,24,25)(H,17
    ,18,19)/t7-,8+,10+,11+,14
    +/m0/s1;
    GEJILRRXJVSBCM-TWBCTODHSA-N    		 CNc1ncnc2n(cnc12)[CH]3O[CH](CSCC[CH](N)C
    (O)=O)[CH](O)[CH]3O; O=C(O)C(N)CCSCC3OC(
    n2cnc1c(ncnc12)NC)C(O)C3O; CNc1c2c(ncn1)
    n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[
    C@@H](C(=O)O)N)O)O; CNc1ncnc2n(cnc12)[C@
    @H]3O[C@H](CSCC[C@H](N)C(O)=O)[C@@H](O)[
    C@H]3O; CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CS
    CCC(C(=O)O)N)O)O    		 (2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid;
    S-(N6-Methyladenosyl)-L-homocysteine
    38556
    TT9    		 1 C9 H15 N3 O11 P2 S InChI=1S/C9H15N3O11P2S/c1
    0-4-1-2-12(8(16)11-4)7-5(
    14)6(15)9(3-13,26-7)22-25
    (20,21)23-24(17,18)19/h1-
    2,5-7,13-15H,3H2,(H,20,21
    )(H2,10,11,16)(H2,17,18,1
    9)/t5-,6+,7-,9+/m1/s1;
    KEAXZHZTGMHPPH-AYHNYZOXSA-N    		 C1=CN(C(=O)N=C1N)C2C(C(C(S2)(CO)OP(=O)(O
    )OP(=O)(O)O)O)O; NC1=NC(=O)N(C=C1)[C@@H]
    2S[C@](CO)(O[P](O)(=O)O[P](O)(O)=O)[C@@H
    ](O)[C@H]2O; NC1=NC(=O)N(C=C1)[CH]2S[C](
    CO)(O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2
    O; C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H](
    [C@@](S2)(CO)OP(=O)(O)OP(=O)(O)O)O)O    		 [(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl] phosphono hydrogen phosphate
    38557
    TTA    		 1 C24 H20 As InChI=1S/C24H20As/c1-5-13
    -21(14-6-1)25(22-15-7-2-8
    -16-22,23-17-9-3-10-18-23
    )24-19-11-4-12-20-24/h1-2
    0H/q+1;
    PJMJFVQKDBRMIP-UHFFFAOYSA-N    		 c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccc
    cc4; c1c(cccc1)[As+](c2ccccc2)(c3ccccc3)
    c4ccccc4    		 TETRAPHENYL-ARSONIUM
    38558
    TTB
    CHEMBL275311
    DB02877
    ZINC000004475360    		 3 C24 H28 O2 InChI=1S/C24H28O2/c1-16(1
    4-17-6-8-18(9-7-17)22(25)
    26)19-10-11-20-21(15-19)2
    4(4,5)13-12-23(20,2)3/h6-
    11,14-15H,12-13H2,1-5H3,(
    H,25,26)/b16-14+;
    FOIVPCKZDPCJJY-JQIJEIRASA-N    		 CC(=Cc1ccc(cc1)C(O)=O)c2ccc3c(c2)C(C)(C)
    CCC3(C)C; C/C(=C\c1ccc(cc1)C(=O)O)/c2ccc
    3c(c2)C(CCC3(C)C)(C)C; O=C(O)c1ccc(cc1)\
    C=C(\c2ccc3c(c2)C(CCC3(C)C)(C)C)C; CC(=C
    c1ccc(cc1)C(=O)O)c2ccc3c(c2)C(CCC3(C)C)(
    C)C; C\C(=C/c1ccc(cc1)C(O)=O)c2ccc3c(c2)
    C(C)(C)CCC3(C)C    		 4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID;
    TTNPB
    38559
    TTC
    CHEMBL84
    DB01030
    ZINC000001611274    		 9 C23 H23 N3 O5 InChI=1S/C23H23N3O5/c1-4-
    23(30)16-8-18-20-12(9-26(
    18)21(28)15(16)11-31-22(2
    3)29)7-13-14(10-25(2)3)19
    (27)6-5-17(13)24-20/h5-8,
    27,30H,4,9-11H2,1-3H3/t23
    -/m0/s1;
    UCFGDBYHRUNTLO-QHCPKHFHSA-N    		 CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(
    C)C)c(O)ccc5nc34)C2=O; CC[C]1(O)C(=O)OCC
    2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5nc34)C2
    =O; CC[C@@]1(C2=C(COC1=O)C(=O)N3Cc4cc5c(
    ccc(c5CN(C)C)O)nc4C3=C2)O; CCC1(C2=C(COC
    1=O)C(=O)N3Cc4cc5c(ccc(c5CN(C)C)O)nc4C3=
    C2)O; O=C1N4C(=CC2=C1COC(=O)C2(O)CC)c3nc
    5c(cc3C4)c(c(O)cc5)CN(C)C    		 (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE;
    TOPOTECAN, HYCAMTIN
    38560
    TTD
    ZINC000263620723    		 0 C20 H28 N4 O15 P2 InChI=1S/C20H28N4O15P2/c1
    -19-13-14-20(19,2)16(27)2
    2-18(29)24(14)12-4-8(10(3
    8-12)6-35-40(30,31)32)39-
    41(33,34)36-5-9-7(25)3-11
    (37-9)23(13)17(28)21-15(1
    9)26/h7-14,25H,3-6H2,1-2H
    3,(H,33,34)(H,21,26,28)(H
    ,22,27,29)(H2,30,31,32)/t
    7-,8-,9+,10+,11+,12+,13+,
    14-,19-,20+/m0/s1;
    LWAHHJJPLXBMFO-MQBJNLFFSA-N    		 C[C@@]12[C@H]3[C@H]4[C@@]1(C(=O)NC(=O)N4
    [C@H]5C[C@@H]([C@H](O5)COP(=O)(O)O)O[P@@
    ](=O)(OC[C@@H]6[C@H](C[C@H](N3C(=O)NC2=O
    )O6)O)O)C; C[C]12[CH]3[CH]4N([CH]5C[CH](
    O[P](O)(=O)OC[CH]6O[CH](C[CH]6O)N3C(=O)N
    C1=O)[CH](CO[P](O)(O)=O)O5)C(=O)NC(=O)[C
    ]24C; C[C@]12[C@H]3[C@@H]4N([C@H]5C[C@H]
    (O[P@](O)(=O)OC[C@H]6O[C@H](C[C@@H]6O)N3
    C(=O)NC1=O)[C@@H](CO[P](O)(O)=O)O5)C(=O)
    NC(=O)[C@]24C; CC12C3C4C1(C(=O)NC(=O)N4C
    5CC(C(O5)COP(=O)(O)O)OP(=O)(OCC6C(CC(N3C
    (=O)NC2=O)O6)O)O)C; O=C1NC(=O)C5(C4N1C2O
    C(C(O)C2)COP(=O)(O)OC6C(OC(N3C(=O)NC(=O)
    C5(C34)C)C6)COP(=O)(O)O)C    		 CIS-SYN CYCLOBUTANE THYMINE DIMER;
    [(3S,4S,9S,10R,12R,15AR,18BS,18CS)-3,7-DIHYDROXY-15A,15B-DIMETHYL-7-OXIDO-13,15,16,18-TETRAOXOHEXADECAHYDRO-1H-1,4-EPOX Y-9,12-METHANO-6,8,11-TRIOXA-12A,14,17,18A-TETRAAZA-7-PHOSPHACYCLOHEXADECA[1,2,3,4-DEF]BIPHENYLEN-10-YL]METHYL DIHYDROGEN PHOSPHATE
    38561
    TTE
    ZINC000013531971    		 3 C11 H19 N2 O13 P3 InChI=1S/C11H19N2O13P3/c1
    -6-3-13(11(16)12-10(6)15)
    9-2-7(14)8(25-9)4-24-29(2
    2,23)26-28(20,21)5-27(17,
    18)19/h3,7-9,14H,2,4-5H2,
    1H3,(H,20,21)(H,22,23)(H,
    12,15,16)(H2,17,18,19)/t7
    -,8+,9+/m0/s1;
    HEDAITKJNKXWIZ-DJLDLDEBSA-N    		 CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP
    (=O)(CP(=O)(O)O)O)O; CC1=CN(C(=O)NC1=O)[
    C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@
    ](=O)(CP(=O)(O)O)O)O; CC1=CN([CH]2C[CH](
    O)[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)
    =O)O2)C(=O)NC1=O; O=P(O)(O)CP(=O)(O)OP(=
    O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O; C
    C1=CN([C@H]2C[C@H](O)[C@@H](CO[P@@](O)(=
    O)O[P@@](O)(=O)C[P](O)(O)=O)O2)C(=O)NC1=
    O    		 PHOSPHOMETHYL PHOSPHONIC ACID DEOXYTHYMIDYLATE ESTER
    38562
    TTF
    CHEMBL1236433
    DB04795
    ZINC000100004957    		 5 C8 H5 F3 O2 S InChI=1S/C8H5F3O2S/c9-8(1
    0,11)7(13)4-5(12)6-2-1-3-
    14-6/h1-3H,4H2;
    TXBBUSUXYMIVOS-UHFFFAOYSA-N    		 c1cc(sc1)C(=O)CC(=O)C(F)(F)F; O=C(c1sccc
    1)CC(=O)C(F)(F)F; FC(F)(F)C(=O)CC(=O)c1s
    ccc1    		 4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE;
    2-THENOYLTRIFLUOROACETONE
    38563
    TTG
    ZINC000022067027    		 3 C23 H25 N3 O6 InChI=1S/C23H25N3O6/c1-4-
    23(32,22(30)31)16-8-18-20
    -12(9-26(18)21(29)15(16)1
    1-27)7-13-14(10-25(2)3)19
    (28)6-5-17(13)24-20/h5-8,
    27-28,32H,4,9-11H2,1-3H3,
    (H,30,31)/t23-/m0/s1;
    DPQJTQJZJNYUEC-QHCPKHFHSA-N    		 CCC(C1=C(C(=O)N2Cc3cc4c(ccc(c4CN(C)C)O)n
    c3C2=C1)CO)(C(=O)O)O; CC[C@@](O)(C(O)=O)
    C1=C(CO)C(=O)N2Cc3cc4c(CN(C)C)c(O)ccc4nc
    3C2=C1; O=C(O)C(O)(C=4C=C3c2nc1ccc(O)c(c
    1cc2CN3C(=O)C=4CO)CN(C)C)CC; CC[C](O)(C(
    O)=O)C1=C(CO)C(=O)N2Cc3cc4c(CN(C)C)c(O)c
    cc4nc3C2=C1; CC[C@](C1=C(C(=O)N2Cc3cc4c(
    ccc(c4CN(C)C)O)nc3C2=C1)CO)(C(=O)O)O    		 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID;
    HYDROLYZED PRODUCT OF TOPOTECAN
    38564
    TTH    		 0 C20 H34 InChI=1/C20H34/c1-7-18(4)
    12-9-14-20(6)16-10-15-19(
    5)13-8-11-17(2)3/h7,11,14
    -15H,8-10,12-13,16H2,1-6H
    3/b18-7+,19-15+,20-14+;
    HSOYJGBJQAKCNA-CAIKYXSQBI    		 C/C=C(C)/CC/C=C(C)/CC\C=C(/C)CCC=C(C)C;
    C(=C/CCC(=C/C)/C)(\CC/C=C(/CC/C=C(\C)C)C
    )C; C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=
    C(C)C; CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C    		 2,6,10,14-TETRAMETHYL-HEXADECA-2,6,10,14-TETRAENE
    38565
    TTI    		 0 C9 H13 N2 O8 P Te InChI=1S/C9H13N2O8PTe/c12
    -4-1-7(19-5(4)3-18-20(15,
    16)17)11-2-6(21)8(13)10-9
    (11)14/h4-5,7,12H,1-3H2,(
    H,10,13,14)(H2,15,16,17)/
    t4-,5+,7+/m0/s1;
    JBISBBUKLAQYGW-HBPOCXIASA-N    		 C1C(C(OC1N2CC(=[Te])C(=O)NC2=O)COP(=O)(O
    )O)O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)
    =O)N2CC(=[Te])C(=O)NC2=O; O[CH]1C[CH](O[
    CH]1CO[P](O)(O)=O)N2CC(=[Te])C(=O)NC2=O;
    C1[C@@H]([C@H](O[C@H]1N2CC(=[Te])C(=O)N
    C2=O)COP(=O)(O)O)O; [Te]=C2C(=O)NC(=O)N(
    C1OC(C(O)C1)COP(=O)(O)O)C2    		 2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate);
    5-Tellurium-deoxyuridine-5'-phosphate
    38566
    TTJ
    ZINC000069416059    		 1 C16 H19 N3 O3 InChI=1S/C16H19N3O3/c1-10
    -5-11(2)7-12(6-10)13-8-15
    (19-18-13)17-16(20)14-9-2
    1-3-4-22-14/h5-8,14H,3-4,
    9H2,1-2H3,(H2,17,18,19,20
    )/t14-/m1/s1;
    IFBWFTQSSMRHQI-CQSZACIVSA-N    		 Cc1cc(cc(c1)c2cc([nH]n2)NC(=O)C3COCCO3)C
    ; C1OCCOC1C(=O)Nc2cc(nn2)c3cc(C)cc(c3)C;
    Cc1cc(cc(c1)c2cc([nH]n2)NC(=O)[C@H]3COC
    CO3)C; Cc1cc(C)cc(c1)c2cc([nH]n2)NC(=O)[
    CH]3COCCO3; Cc1cc(C)cc(c1)c2cc([nH]n2)NC
    (=O)[C@H]3COCCO3    		 (2R)-N-[3-(3,5-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-dioxane-2-carboxamide
    38567
    TTL
    CHEMBL46439
    DB08654
    ZINC000008699423    		 2 C10 H13 N O InChI=1S/C10H13NO/c11-9-6
    -5-7-3-1-2-4-8(7)10(9)12/
    h1-4,9-10,12H,5-6,11H2/t9
    -,10-/m0/s1;
    IIMSEFZOOYSTDO-UWVGGRQHSA-N    		 N[C@H]1CCc2ccccc2[C@@H]1O; N[CH]1CCc2ccc
    cc2[CH]1O; c1ccc2c(c1)CCC(C2O)N; c1ccc2c
    (c1)CC[C@@H]([C@H]2O)N; OC2c1ccccc1CCC2N    		 TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL;
    TRANS-(1S,2S)-1-HYDROXY-2-AMINO-1,2,3,4 TETRAHYDRONAPHTHALENE, TRANS-(1S,2S)-2-AMINO-1-TETRALOL
    38568
    TTM
    ZINC000058639039    		 0 C12 H19 N2 O8 P InChI=1S/C12H19N2O8P/c1-3
    -13-11(16)7(2)5-14(12(13)
    17)10-4-8(15)9(22-10)6-21
    -23(18,19)20/h5,8-10,15H,
    3-4,6H2,1-2H3,(H2,18,19,2
    0)/t8-,9+,10+/m0/s1;
    DDXOXFHHQKBFFH-IVZWLZJFSA-N    		 CCN1C(=O)C(=CN(C1=O)C2CC(C(O2)COP(=O)(O)
    O)O)C; CCN1C(=O)N(C=C(C)C1=O)[CH]2C[CH](
    O)[CH](CO[P](O)(O)=O)O2; CCN1C(=O)N(C=C(
    C)C1=O)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)
    =O)O2; O=C1N(C(=O)N(C=C1C)C2OC(C(O)C2)CO
    P(=O)(O)O)CC; CCN1C(=O)C(=CN(C1=O)[C@H]2
    C[C@@H]([C@H](O2)COP(=O)(O)O)O)C    		 N3-ETHYL-THYMIDINE-5'-MONOPHOSPHATE
    38569
    TTN
    DB03680    		 17 C3 H2 O5 InChI=1S/C3H4O5/c4-1(2(5)
    6)3(7)8/h1,4H,(H,5,6)(H,7
    ,8)/p-2;
    ROBFUDYVXSDBQM-UHFFFAOYSA-L    		 OC(C([O-])=O)C([O-])=O; [O-]C(=O)C(O)C([
    O-])=O; C(C(=O)[O-])(C(=O)[O-])O    		 TARTRONATE
    38570
    TTO
    DB02086    		 0 C24 H20 As O2 InChI=1S/C24H19AsO2/c26-2
    3-17-16-22(18-24(23)27)25
    (19-10-4-1-5-11-19,20-12-
    6-2-7-13-20)21-14-8-3-9-1
    5-21/h1-18H,(H-,26,27)/p+
    1;
    AYGYLFIDAXGERM-UHFFFAOYSA-O    		 c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccc
    (c(c4)O)O; Oc1cc(ccc1O)[As+](c2ccccc2)(c
    3ccccc3)c4ccccc4; Oc1ccc(cc1O)[As+](c2cc
    ccc2)(c3ccccc3)c4ccccc4    		 (3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM
    38571
    TTP
    CHEMBL363559
    DB02452
    ZINC000008215959    		 540 C10 H17 N2 O14 P3 InChI=1S/C10H17N2O14P3/c1
    -5-3-12(10(15)11-9(5)14)8
    -2-6(13)7(24-8)4-23-28(19
    ,20)26-29(21,22)25-27(16,
    17)18/h3,6-8,13H,2,4H2,1H
    3,(H,19,20)(H,21,22)(H,11
    ,14,15)(H2,16,17,18)/t6-,
    7+,8+/m0/s1;
    NHVNXKFIZYSCEB-XLPZGREQSA-N    		 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2
    )CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O;
    CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[
    P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O; O=P
    (O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC
    (=O)C(=C1)C)CC2O; CC1=CN(C(=O)NC1=O)C2CC
    (C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O; C
    C1=CN([C@H]2C[C@H](O)[C@@H](CO[P@@](O)(=
    O)O[P@](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O    		 THYMIDINE-5'-TRIPHOSPHATE
    38572
    TTQ
    ZINC000058638762    		 0 C11 H13 N3 O3 InChI=1S/C11H13N3O3/c12-7
    -2-1-6-5(3-8(13)11(16)17)
    4-14-9(6)10(7)15/h1-2,4,8
    ,14-15H,3,12-13H2,(H,16,1
    7)/t8-/m0/s1;
    AGPIOLMMNWQUSU-QMMMGPOBSA-N    		 c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)N
    ; N[C@@H](Cc1c[nH]c2c(O)c(N)ccc12)C(O)=O
    ; N[CH](Cc1c[nH]c2c(O)c(N)ccc12)C(O)=O;
    c1cc(c(c2c1c(c[nH]2)CC(C(=O)O)N)O)N; O=C
    (O)C(N)Cc2c1ccc(c(O)c1nc2)N    		 6-AMINO-7-HYDROXY-L-TRYPTOPHAN
    38573
    TTR
    CHEMBL1236441
    DB08655
    ZINC000000393073    		 1 C14 H13 N O2 InChI=1S/C14H13NO2/c1-9(1
    6)15-12-7-3-2-5-10(12)11-
    6-4-8-13(17)14(11)15/h2-3
    ,5,7H,4,6,8H2,1H3;
    MIGJEXKBUJPKJF-UHFFFAOYSA-N    		 CC(=O)n1c2ccccc2c3CCCC(=O)c13; O=C3c2c(c
    1c(cccc1)n2C(=O)C)CCC3; CC(=O)n1c2ccccc2
    c3c1C(=O)CCC3    		 9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE
    38574
    TTS
    ZINC000058638764    		 0 C17 H18 N2 O5 InChI=1S/C17H18N2O5/c18-1
    3(17(23)24)7-11-8-14(16(2
    2)9-15(11)21)19-6-5-10-1-
    3-12(20)4-2-10/h1-4,8-9,1
    3,20,22H,5-7,18H2,(H,23,2
    4)/b19-14+/t13-/m0/s1;
    IBNHJDACIBZXSZ-AZDDOORDSA-N    		 c1cc(ccc1CC/N=C/2\C=C(C(=O)C=C2O)C[C@@H]
    (C(=O)O)N)O; N[CH](CC1=CC(=NCCc2ccc(O)cc
    2)C(=CC1=O)O)C(O)=O; O=C2C=C(O)/C(=N/CCc
    1ccc(O)cc1)C=C2CC(C(=O)O)N; c1cc(ccc1CCN
    =C2C=C(C(=O)C=C2O)CC(C(=O)O)N)O; N[C@@H]
    (CC1=CC(=NCCc2ccc(O)cc2)C(=CC1=O)O)C(O)=
    O    		 3-((3E)-4-HYDROXY-3-{[2-(4-HYDROXYPHENYL)ETHYL]IMINO}-6-OXOCYCLOHEXA-1,4-DIEN-1-YL)ALANINE
    38575
    TTT
    CHEMBL549695
    DB08656
    ZINC000043012570    		 11 C20 H20 N2 O InChI=1S/C20H20N2O/c1-13-
    10-11-16(21)12-19(13)20(2
    3)22-14(2)17-9-5-7-15-6-3
    -4-8-18(15)17/h3-12,14H,2
    1H2,1-2H3,(H,22,23)/t14-/
    m1/s1;
    UVERBUNNCOKGNZ-CQSZACIVSA-N    		 Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)N
    ; C[CH](NC(=O)c1cc(N)ccc1C)c2cccc3ccccc2
    3; Cc1ccc(cc1C(=O)NC(C)c2cccc3c2cccc3)N;
    C[C@@H](NC(=O)c1cc(N)ccc1C)c2cccc3ccccc
    23; O=C(c1cc(N)ccc1C)NC(c3c2ccccc2ccc3)C    		 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
    38576
    TTU    		 2 C30 H32 N2 O3 InChI=1S/C30H32N2O3/c1-2-
    31-17-14-26(20-31)35-25-1
    1-8-21(9-12-25)28-27-13-1
    0-24(33)18-23(27)19-30(15
    -16-30)32(28)29(34)22-6-4
    -3-5-7-22/h3-13,18,26,28,
    33H,2,14-17,19-20H2,1H3/t
    26-,28+/m0/s1;
    ZNNUGLAKMQMSSA-XTEPFMGCSA-N    		 CCN1CC[C@@H](C1)Oc2ccc(cc2)[C@@H]3c4ccc(
    cc4CC5(N3C(=O)c6ccccc6)CC5)O; CCN1CC[CH]
    (C1)Oc2ccc(cc2)[CH]3N(C(=O)c4ccccc4)C5(C
    C5)Cc6cc(O)ccc36; CCN1CCC(C1)Oc1ccc(cc1)
    C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1; CC
    N1CC[C@@H](C1)Oc2ccc(cc2)[C@H]3N(C(=O)c4
    ccccc4)C5(CC5)Cc6cc(O)ccc36; CCN1CCC(C1)
    Oc2ccc(cc2)C3c4ccc(cc4CC5(N3C(=O)c6ccccc
    6)CC5)O    		 [(1'R)-1'-(4-{[(3S)-1-ethylpyrrolidin-3-yl]oxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
    38577
    TTV
    ZINC000034519122    		 0 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3-4
    (9)5(10)6(11,2-8)12-3/h3-
    5,7-11H,1-2H2/t3-,4-,5-,6
    -/m1/s1;
    RFSUNEUAIZKAJO-KVTDHHQDSA-N    		 OC[C@H]1O[C@](O)(CO)[C@H](O)[C@@H]1O; OC
    1(CO)OC(CO)C(O)C1O; C([C@@H]1[C@H]([C@H]
    ([C@](O1)(CO)O)O)O)O; OC[CH]1O[C](O)(CO)
    [CH](O)[CH]1O; C(C1C(C(C(O1)(CO)O)O)O)O    		 beta-D-psicofuranose;
    beta-D-psicose;
    D-psicose;
    psicose
    38578
    TTW    		 4 C10 H18 N3 O13 P3 InChI=1S/C10H18N3O13P3/c1
    -5-3-13(10(16)11-9(5)15)8
    -2-6(14)7(25-8)4-24-29(22
    ,23)26-28(20,21)12-27(17,
    18)19/h3,6-8,14H,2,4H2,1H
    3,(H,22,23)(H,11,15,16)(H
    4,12,17,18,19,20,21)/t6-,
    7+,8+/m0/s1;
    RTOWUXJWTDSUGC-XLPZGREQSA-N    		 CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P
    ](O)(=O)N[P](O)(O)=O)O2)C(=O)NC1=O; CC1=
    CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(=O)O[P
    ](O)(=O)N[P](O)(O)=O)O2)C(=O)NC1=O; CC1=
    CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP
    (=O)(O)OP(=O)(NP(=O)(O)O)O)O; CC1=CN(C(=
    O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(NP(=O
    )(O)O)O)O; O=C1C(=CN(C(N1)=O)C2CC(C(O2)C
    OP(OP(NP(=O)(O)O)(O)=O)(O)=O)O)C    		 5'-O-[hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]thymidine
    38579
    TTX
    ZINC000100230999    		 13 C22 H30 N4 O4 InChI=1S/C22H30N4O4/c1-14
    (2)11-17-22(30)26(5)18(12
    -16-9-7-6-8-10-16)21(29)2
    3-13-19(27)25(4)15(3)20(2
    8)24-17/h6-10,12,14-15,17
    H,11,13H2,1-5H3,(H,23,29)
    (H,24,28)/b18-12-/t15-,17
    -/m0/s1;
    SIIRBDOFKDACOK-LFXZBHHUSA-N    		 O=C1NC(C(=O)N(/C(C(=O)NCC(=O)N(C)C1C)=C\
    c2ccccc2)C)CC(C)C; CC(C)C[C@@H]1NC(=O)[C
    @H](C)N(C)C(=O)CNC(=O)C(=C/c2ccccc2)/N(C
    )C1=O; C[C@H]1C(=O)N[C@H](C(=O)N(/C(=C\c
    2ccccc2)/C(=O)NCC(=O)N1C)C)CC(C)C; CC1C(
    =O)NC(C(=O)N(C(=Cc2ccccc2)C(=O)NCC(=O)N1
    C)C)CC(C)C; CC(C)C[CH]1NC(=O)[CH](C)N(C)
    C(=O)CNC(=O)C(=Cc2ccccc2)N(C)C1=O    		 TENTOXIN
    38580
    TTY
    ZINC000000108349    		 1 C9 H8 O4 InChI=1S/C9H8O4/c10-6-2-1
    -3-7-8(6)5(4-13-7)9(11)12
    /h4H,1-3H2,(H,11,12);
    FABBWECRHZNMDQ-UHFFFAOYSA-N    		 O=C(O)c1c2c(oc1)CCCC2=O; OC(=O)c1coc2CCC
    C(=O)c12; c1c(c2c(o1)CCCC2=O)C(=O)O    		 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
    38581
    TTZ
    ZINC000016052244    		 1 C13 H22 N2 O9 S InChI=1S/C13H22N2O9S/c16-
    1-3-4(18)5(19)6(20)11(24-
    3)15-12-14-9-8(25-12)7(21
    )10(22)13(9,23)2-17/h3-11
    ,16-23H,1-2H2,(H,14,15)/t
    3-,4-,5+,6-,7-,8-,9-,10+,
    11+,13+/m1/s1;
    UISBBVOCYJQFAA-UXTOMXPUSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)NC2
    =N[C@@H]3[C@H](S2)[C@H]([C@@H]([C@@]3(CO
    )O)O)O)O)O)O)O; OC[CH]1O[CH](NC2=N[CH]3[
    CH](S2)[CH](O)[CH](O)[C]3(O)CO)[CH](O)[C
    H](O)[CH]1O; C(C1C(C(C(C(O1)NC2=NC3C(S2)
    C(C(C3(CO)O)O)O)O)O)O)O; OC2C(O)C(O)(C1N
    =C(SC12)NC3OC(CO)C(O)C(O)C3O)CO; OC[C@H]
    1O[C@H](NC2=N[C@@H]3[C@H](S2)[C@@H](O)[C
    @H](O)[C@]3(O)CO)[C@H](O)[C@@H](O)[C@@H]
    1O    		 N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucopyranosylamine;
    N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucosylamine;
    N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-D-gluc osylamine;
    N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-glucos ylamine
    38582
    TU0
    CHEMBL4094756
    ZINC000098209466    		 1 C8 H7 Br O4 S InChI=1S/C8H7BrO4S/c9-7-1
    -2-8(10)6(5-7)3-4-14(11,1
    2)13/h1-5,10H,(H,11,12,13
    )/b4-3+;
    UHSWOANMCMMEKU-ONEGZZNKSA-N    		 Oc1ccc(Br)cc1\C=C\[S](O)(=O)=O; c1cc(c(c
    c1Br)/C=C/S(=O)(=O)O)O; c1cc(c(cc1Br)C=C
    S(=O)(=O)O)O; Oc1ccc(Br)cc1C=C[S](O)(=O)
    =O; Brc1cc(\C=C\S(=O)(=O)O)c(O)cc1    		 (E)-2-(5-BROMO-2-HYDROXYPHENYL)ETHENESULFONIC ACID
    38583
    TU1
    CHEMBL3259945
    ZINC000098209467    		 4 C29 H21 F3 N4 O2 InChI=1S/C29H21F3N4O2/c30
    -19-6-8-24(31)23(15-19)17
    -5-7-22(25(32)13-17)28(37
    )36-27(29(38)35-20-9-11-3
    3-12-10-20)14-18-16-34-26
    -4-2-1-3-21(18)26/h1-13,1
    5-16,27,34H,14H2,(H,36,37
    )(H,33,35,38)/t27-/m1/s1;
    AHABCZVHHYTXPC-HHHXNRCGSA-N    		 Fc1ccc(F)c(c1)c2ccc(C(=O)N[CH](Cc3c[nH]c
    4ccccc34)C(=O)Nc5ccncc5)c(F)c2; c1ccc2c(
    c1)c(c[nH]2)CC(C(=O)Nc3ccncc3)NC(=O)c4cc
    c(cc4F)c5cc(ccc5F)F; Fc1ccc(F)c(c1)c2ccc
    (C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)Nc5c
    cncc5)c(F)c2; c1ccc2c(c1)c(c[nH]2)C[C@H]
    (C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cc(cc
    c5F)F; Fc1cc(c(F)cc1)c2ccc(c(F)c2)C(=O)N
    C(C(=O)Nc3ccncc3)Cc5c4ccccc4nc5    		 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide
    38584
    TU2
    CHEMBL5081479    		 4 C22 H20 F N O5 InChI=1S/C22H20FNO5/c1-12
    -5-6-13(9-17(12)25)16-8-7
    -15(23)20(24-16)21(26)14-
    10-18(27-2)22(29-4)19(11-
    14)28-3/h5-11,25H,1-4H3;
    JZHPUOFRNWNYQR-UHFFFAOYSA-N    		 C(=O)(c1cc(c(c(c1)OC)OC)OC)c2c(ccc(n2)c3
    cc(c(cc3)C)O)F; Cc1ccc(cc1O)c2ccc(c(n2)C
    (=O)c3cc(c(c(c3)OC)OC)OC)F; COc1cc(cc(OC
    )c1OC)C(=O)c2nc(ccc2F)c3ccc(C)c(O)c3    		 [3-fluoro-6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone
    38585
    TU3
    CHEMBL5074758    		 2 C21 H20 N2 O5 InChI=1S/C21H20N2O5/c1-12
    -5-6-13(7-17(12)24)15-10-
    22-11-16(23-15)20(25)14-8
    -18(26-2)21(28-4)19(9-14)
    27-3/h5-11,24H,1-4H3;
    KWJXOYGITCRCRW-UHFFFAOYSA-N    		 COc1cc(cc(OC)c1OC)C(=O)c2cncc(n2)c3ccc(C
    )c(O)c3; C(=O)(c1cc(c(c(c1)OC)OC)OC)c2cn
    cc(n2)c3cc(c(cc3)C)O; Cc1ccc(cc1O)c2cncc
    (n2)C(=O)c3cc(c(c(c3)OC)OC)OC    		 [6-(3-hydroxy-4-methylphenyl)pyrazin-2-yl](3,4,5-trimethoxyphenyl)methanone
    38586
    TU4    		 1 C14 H26 O7 InChI=1S/C14H26O7/c1-2-3-
    4-5-6-7-10(16)21-13-11(17
    )9(8-15)20-14(19)12(13)18
    /h9,11-15,17-19H,2-8H2,1H
    3/t9-,11-,12-,13+,14+/m1/
    s1;
    XXOQQAWGIDQJOO-KVRLPLMBSA-N    		 CCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@@H](
    [C@@H]1O)O)CO)O; CCCCCCCC(=O)O[C@@H]1[C@
    @H](O)[C@@H](O)O[C@H](CO)[C@H]1O; C(CCCC
    CCC)(OC1C(C(O)OC(C1O)CO)O)=O; CCCCCCCC(=
    O)O[CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O; C
    CCCCCCC(=O)OC1C(C(OC(C1O)O)CO)O    		 3-O-octanoyl-alpha-D-glucopyranose
    38587
    TU5
    CHEMBL5080162
    ZINC000084397771    		 1 C11 H10 F3 N3 InChI=1S/C11H10F3N3/c1-7-
    5-17(6-16-7)10-3-8(11(12,
    13)14)2-9(15)4-10/h2-6H,1
    5H2,1H3;
    WWTGXYAJVXKEKL-UHFFFAOYSA-N    		 Cc1cn(cn1)c2cc(cc(c2)N)C(F)(F)F; Cc1cn(c
    n1)c2cc(N)cc(c2)C(F)(F)F    		 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline
    38588
    TU6
    CHEMBL4518218
    ZINC000253419301    		 4 C11 H17 N3 O InChI=1S/C11H17N3O/c1-9-7
    -11(13-10(8-15)12-9)14-5-
    3-2-4-6-14/h7,15H,2-6,8H2
    ,1H3;
    GZINCFOQQRVKFL-UHFFFAOYSA-N    		 Cc1cc(nc(n1)CO)N2CCCCC2; Cc1cc(nc(CO)n1)
    N1CCCCC1; Cc1cc(nc(CO)n1)N2CCCCC2    		 [4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol
    38589
    TU7
    ZINC000012441513    		 2 C17 H15 Cl2 N O2 InChI=1S/C17H15Cl2NO2/c18
    -13-6-7-14(15(19)10-13)17
    (21)20-8-9-22-16(11-20)12
    -4-2-1-3-5-12/h1-7,10,16H
    ,8-9,11H2/t16-/m1/s1;
    GMCUGOLAHOHCSS-MRXNPFEDSA-N    		 c1ccc(cc1)[C@H]2CN(CCO2)C(=O)c3ccc(cc3Cl
    )Cl; Clc1ccc(c(Cl)c1)C(=O)N2CCO[C@H](C2)
    c3ccccc3; Clc1ccc(c(Cl)c1)C(=O)N2CCO[CH]
    (C2)c3ccccc3; c1ccc(cc1)C2CN(CCO2)C(=O)c
    3ccc(cc3Cl)Cl; C(c1ccc(cc1Cl)Cl)(N3CC(c2
    ccccc2)OCC3)=O    		 (2,4-dichlorophenyl)[(2S)-2-phenylmorpholin-4-yl]methanone
    38590
    TU8    		 1 C16 H12 F N3 O2 InChI=1S/C16H12FN3O2/c17-
    11-7-12(9-18-8-11)20-14(2
    1)16(19-15(20)22)6-5-10-3
    -1-2-4-13(10)16/h1-4,7-9H
    ,5-6H2,(H,19,22)/t16-/m0/
    s1;
    HDQQGZLJXIFZDY-INIZCTEOSA-N    		 c1ccc2c(c1)CCC23C(=O)N(C(=O)N3)c4cc(cnc4
    )F; Fc1cncc(c1)N2C(=O)N[C]3(CCc4ccccc34)
    C2=O; c1ccc2c(c1)CC[C@@]23C(=O)N(C(=O)N3
    )c4cc(cnc4)F; Fc1cncc(c1)N2C(=O)N[C@]3(C
    Cc4ccccc34)C2=O    		 (3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
    38591
    TU9    		 1 C31 H34 N2 O3 InChI=1S/C31H34N2O3/c1-2-
    32-17-14-22(20-32)21-36-2
    7-11-8-23(9-12-27)29-28-1
    3-10-26(34)18-25(28)19-31
    (15-16-31)33(29)30(35)24-
    6-4-3-5-7-24/h3-13,18,22,
    29,34H,2,14-17,19-21H2,1H
    3/t22-,29-/m1/s1;
    HBXPPLITOLIFRU-KPURRNSFSA-N    		 CCN1CCC(C1)COc2ccc(cc2)C3c4ccc(cc4CC5(N3
    C(=O)c6ccccc6)CC5)O; CCN1CC[C@@H](COc2cc
    c(cc2)[C@H]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc
    (O)ccc36)C1; CCN1CC[C@H](C1)COc2ccc(cc2)
    [C@@H]3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)
    O; CCN1CC[CH](COc2ccc(cc2)[CH]3N(C(=O)c4
    ccccc4)C5(CC5)Cc6cc(O)ccc36)C1; CCN1CCC(
    C1)COc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(
    =O)c1ccccc1    		 [(1'R)-1'-(4-{[(3R)-1-ethylpyrrolidin-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
    38592
    TUA
    CHEMBL131
    DB00860
    ZINC000003833821    		 3 C21 H28 O5 InChI=1S/C21H28O5/c1-19-7
    -5-13(23)9-12(19)3-4-14-1
    5-6-8-21(26,17(25)11-22)2
    0(15,2)10-16(24)18(14)19/
    h5,7,9,14-16,18,22,24,26H
    ,3-4,6,8,10-11H2,1-2H3/t1
    4-,15-,16-,18+,19-,20-,21
    -/m0/s1;
    OIGNJSKKLXVSLS-VWUMJDOOSA-N    		 C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@
    ]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O; C2
    =CC(=O)C=C3CCC1C4C(CC(C1C23C)O)(C(CC4)(O
    )C(CO)=O)C; CC12CC(C3C(C1CCC2(C(=O)CO)O)
    CCC4=CC(=O)C=CC34C)O; C[C]12C[CH](O)[CH]
    3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CC[C]2(O
    )C(=O)CO; C[C@]12C[C@H](O)[C@H]3[C@@H](C
    CC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(
    =O)CO    		 prednisolone;
    (11alpha)-11,17,21-trihydroxypregna-1,4-diene-3,20-dione
    38593
    TUB
    ZINC000014953567    		 2 C37 H41 N2 O6 InChI=1S/C37H40N2O6/c1-38
    -14-12-24-19-32(42-4)33-2
    1-27(24)28(38)16-22-6-9-2
    6(10-7-22)44-37-35-25(20-
    34(43-5)36(37)41)13-15-39
    (2,3)29(35)17-23-8-11-30(
    40)31(18-23)45-33/h6-11,1
    8-21,28-29H,12-17H2,1-5H3
    ,(H-,40,41)/p+1/t28-,29-/
    m0/s1;
    JFJZZMVDLULRGK-VMPREFPWSA-O    		 C[N@]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c
    6c(cc(c5O)OC)CC[N+]([C@H]6Cc7ccc(c(c7)O3
    )O)(C)C)OC; COc1cc2CC[N+](C)(C)[C@H]3Cc4
    ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc
    7)N(C)CCc6cc5OC)c4; CN1CCc2cc(c3cc2C1Cc4
    ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+](C6Cc7ccc
    (c(c7)O3)O)(C)C)OC; Oc7ccc5cc7Oc1cc2c(cc
    1OC)CCN(C2Cc6ccc(Oc3c4c(cc(OC)c3O)CC[N+]
    (C)(C)C4C5)cc6)C; COc1cc2CC[N+](C)(C)[CH
    ]3Cc4ccc(O)c(Oc5cc6[CH](Cc7ccc(Oc(c1O)c2
    3)cc7)N(C)CCc6cc5OC)c4    		 (1beta,1'alpha)-7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium;
    d-tubocurarine
    38594
    TUC
    ZINC000039334992    		 0 C11 H9 N O3 InChI=1S/C11H9NO3/c13-11(
    14)7-15-10-3-1-2-8-6-12-5
    -4-9(8)10/h1-6H,7H2,(H,13
    ,14);
    LBTFJCUQNGDFML-UHFFFAOYSA-N    		 c1cc2cnccc2c(c1)OCC(=O)O; OC(=O)COc1cccc
    2cnccc12; O=C(O)COc1cccc2c1ccnc2    		 (isoquinolin-5-yloxy)acetic acid
    38595
    TUD
    CHEMBL185878
    DB08833
    ZINC000005822376    		 9 C26 H45 N O6 S InChI=1S/C26H45NO6S/c1-16
    (4-7-23(30)27-12-13-34(31
    ,32)33)19-5-6-20-24-21(9-
    11-26(19,20)3)25(2)10-8-1
    8(28)14-17(25)15-22(24)29
    /h16-22,24,28-29H,4-15H2,
    1-3H3,(H,27,30)(H,31,32,3
    3)/t16-,17+,18-,19-,20+,2
    1+,22-,24+,25+,26-/m1/s1;
    BHTRKEVKTKCXOH-BJLOMENOSA-N    		 C[C@H](CCC(=O)NCC[S](O)(=O)=O)[C@H]1CC[C
    @H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C
    @]4(C)[C@H]3CC[C@]12C; CC(CCC(=O)NCCS(=O
    )(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C
    )O)C; C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1
    CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C
    @H]4[C@@]3(CC[C@H](C4)O)C)O)C; O=S(=O)(O
    )CCNC(=O)CCC(C4C3(C(C1C(C2(C(CC1O)CC(O)C
    C2)C)CC3)CC4)C)C; C[CH](CCC(=O)NCC[S](O)
    (=O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[C
    H](O)CC[C]4(C)[CH]3CC[C]12C    		 TAUROCHENODEOXYCHOLIC ACID;
    2-(((3ALPHA,5BETA,7ALPHA)-3,7-DIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)ETHANESULFONIC ACID;
    TAUROCHENODEOXYCHOLATE
    38596
    TUE
    ZINC000263620628    		 6 C17 H16 N4 O InChI=1S/C17H16N4O/c1-19-
    8-13-6-15(10-20-9-13)22-1
    1-12-2-3-14-4-5-17(18)21-
    16(14)7-12/h2-7,9-10H,1,8
    ,11H2,(H2,18,21);
    JWSPKIZRSASLMF-UHFFFAOYSA-N    		 Nc1ccc2ccc(COc3cncc(CN=C)c3)cc2n1; C=NCc
    1cc(cnc1)OCc2ccc3ccc(nc3c2)N    		 7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine
    38597
    TUG    		 2 C6 H12 O12 S2 InChI=1S/C6H12O12S2/c7-1-
    2-4(17-19(10,11)12)5(18-2
    0(13,14)15)3(8)6(9)16-2/h
    2-9H,1H2,(H,10,11,12)(H,1
    3,14,15)/t2-,3+,4-,5+,6+/
    m1/s1;
    XJBNSSXIWQSGRE-RDQKPOQOSA-N    		 C([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O
    )OS(=O)(=O)O)OS(=O)(=O)O)O; OC[CH]1O[CH]
    (O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O[S](O
    )(=O)=O; OCC1OC(C(C(C1OS(=O)(O)=O)OS(=O)
    (O)=O)O)O; C(C1C(C(C(C(O1)O)O)OS(=O)(=O)
    O)OS(=O)(=O)O)O; OC[C@H]1O[C@H](O)[C@@H]
    (O)[C@H](O[S](O)(=O)=O)[C@@H]1O[S](O)(=O
    )=O    		 3,4-di-O-sulfo-alpha-D-altropyranose
    38598
    TUH
    CHEMBL2103879
    DB12047
    ZINC000043130413    		 5 C20 H20 N4 O3 InChI=1S/C20H20N4O3/c1-11
    (2)14-9-15(18(26)10-17(14
    )25)19-21-22-20(27)24(19)
    13-4-5-16-12(8-13)6-7-23(
    16)3/h4-11,25-26H,1-3H3,(
    H,22,27);
    RVAQIUULWULRNW-UHFFFAOYSA-N    		 CC(C)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccc4c(c
    3)ccn4C; O=C1N(C(=NN1)c2c(O)cc(O)c(c2)C(
    C)C)c4cc3ccn(c3cc4)C; CC(C)c1cc(c(O)cc1O
    )C2=NNC(=O)N2c3ccc4n(C)ccc4c3    		 5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one;
    Ganetespib
    38599
    TUI
    CHEMBL1206212
    DB08657
    ZINC000024952251    		 2 C21 H18 N6 O4 S2 InChI=1S/C21H18N6O4S2/c28
    -18(29)12-31-14-6-4-13(5-
    7-14)15-9-23-16(26-15)10-
    24-20(30)27-21-25-11-19(3
    3-21)32-17-3-1-2-8-22-17/
    h1-9,11H,10,12H2,(H,23,26
    )(H,28,29)(H2,24,25,27,30
    );
    SSXCWVOQWRUMGN-UHFFFAOYSA-N    		 OC(=O)COc1ccc(cc1)c2c[nH]c(CNC(=O)Nc3sc(
    Sc4ccccn4)cn3)n2; O=C(Nc2ncc(Sc1ncccc1)s
    2)NCc4nc(c3ccc(OCC(=O)O)cc3)cn4; c1ccnc(
    c1)Sc2cnc(s2)NC(=O)NCc3[nH]cc(n3)c4ccc(c
    c4)OCC(=O)O    		 2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-2-YL)UREIDO)METHYL)-1H-IMIDAZOL-4-YL)PHENOXY)ACETIC ACID
    38600
    TUJ    		 2 C6 H12 O18 S4 InChI=1S/C6H12O18S4/c7-1-
    2-3(21-25(8,9)10)4(22-26(
    11,12)13)5(23-27(14,15)16
    )6(20-2)24-28(17,18)19/h2
    -7H,1H2,(H,8,9,10)(H,11,1
    2,13)(H,14,15,16)(H,17,18
    ,19)/t2-,3-,4-,5-,6-/m1/s
    1;
    FZVPFIKBDVJAIY-QZABAPFNSA-N    		 C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)OS(=
    O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=
    O)O)O; OC[CH]1O[CH](O[S](O)(=O)=O)[CH](O
    [S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S
    ](O)(=O)=O; OCC1OC(C(C(C1OS(O)(=O)=O)OS(
    =O)(=O)O)OS(O)(=O)=O)OS(O)(=O)=O; C(C1C(
    C(C(C(O1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(
    =O)O)OS(=O)(=O)O)O; OC[C@H]1O[C@H](O[S](
    O)(=O)=O)[C@H](O[S](O)(=O)=O)[C@H](O[S](
    O)(=O)=O)[C@@H]1O[S](O)(=O)=O    		 1,2,3,4-tetra-O-sulfo-alpha-D-allopyranose
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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