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  • Click # to view 2D diagram of the ligand.
  • The 3-letter Ligand ID follows the Chemical Component Dictionary (CCD) used by the PDB database. When availble, the Ligand ID from ChEMBL, DrugBank, and ZINC databases are also listed in the form of CHEMBL*, DB*, and ZINC*, respectively. Click on the Ligand ID to view the ligand at RCSB PDB, ChEMBL, DrugBank or ZINC.
  • Count is the number of BioLiP entries with the ligand. The full statistics is available at lig_frequency.txt. Click Count to search the ligand through BioLiP.
  • If multiple SMILES strings exists for the same ligand, different SMILES are separated by semicolon ";".

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    37601 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
    37602 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
    37603 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
    37604 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
    37605 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
    37606 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
    37607 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
    37608 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
    37609 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
    37610 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
    37611 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
    37612 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
    37613 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
    37614 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
    37615 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
    37616 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
    37617 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
    37618 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
    37619 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
    37620 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
    37621 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
    37622 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
    37623 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
    37624 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
    37625 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
    37626 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
    37627 TRP
    CHEMBL54976
    DB00150
    ZINC000000083315    		 1439 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
    37628 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
    37629 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
    37630 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
    37631 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
    37632 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
    37633 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
    37634 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
    37635 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
    37636 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
    37637 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
    37638 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
    37639 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
    37640 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
    37641 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
    37642 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
    37643 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
    37644 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
    37645 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
    37646 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
    37647 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
    37648 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
    37649 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
    37650 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
    37651 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
    37652 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
    37653 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
    37654 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
    37655 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
    37656 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
    37657 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
    37658 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
    37659 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
    37660 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
    37661 TSN
    CHEMBL99
    DB04297
    ZINC000100014731    		 44 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
    37662 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
    37663 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
    37664 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
    37665 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
    37666 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
    37667 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
    37668 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
    37669 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
    37670 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
    37671 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
    37672 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
    37673 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
    37674 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
    37675 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
    37676 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
    37677 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
    37678 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
    37679 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
    37680 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
    37681 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
    37682 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
    37683 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
    37684 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
    37685 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
    37686 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
    37687 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
    37688 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
    37689 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
    37690 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
    37691 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
    37692 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
    37693 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
    37694 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
    37695 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
    37696 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
    37697 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
    37698 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
    37699 TTP
    CHEMBL363559
    DB02452
    ZINC000008215959    		 539 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
    37700 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
    37701 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
    37702 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
    37703 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
    37704 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
    37705 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
    37706 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
    37707 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
    37708 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
    37709 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
    37710 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
    37711 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
    37712 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
    37713 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
    37714 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
    37715 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
    37716 TU6
    CHEMBL4518218
    ZINC000253419301    		 2 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
    37717 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
    37718 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
    37719 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
    37720 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
    37721 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
    37722 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
    37723 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
    37724 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
    37725 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
    37726 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
    37727 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
    37728 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
    37729 TUK 0 C18 H22 N4 O3 S InChI=1S/C18H22N4O3S/c1-2
    6-7-6-13(19)17-21-15(18(2
    5)22(17)10-16(23)24)8-11-
    9-20-14-5-3-2-4-12(11)14/
    h2-5,9,13,17,20H,6-8,10,1
    9H2,1H3,(H,23,24)/t13-,17
    -/m0/s1;
    SKQKCQNQSMQAEW-GUYCJALGSA-N    		 CSCC[C@@H](C1N=C(C(=O)N1CC(=O)O)Cc2c[nH]
    c3c2cccc3)N; CSCC[CH](N)[CH]1N=C(Cc2c[nH
    ]c3ccccc23)C(=O)N1CC(O)=O; CSCCC(C1N=C(C
    (=O)N1CC(=O)O)Cc2c[nH]c3c2cccc3)N; CSCC[
    C@H](N)[C@H]1N=C(Cc2c[nH]c3ccccc23)C(=O)
    N1CC(O)=O    		 2-[2-[(1~{S})-1-azanyl-3-methylsulfanyl-propyl]-4-(1~{H}-indol-3-ylmethyl)-5-oxidanylidene-2~{H}-imidazol-1-yl]ethanal
    37730 TUL
    CHEMBL345768
    ZINC000005127810    		 1 C4 H4 N2 O S InChI=1S/C4H4N2OS/c7-3-1-
    2-5-4(8)6-3/h1-2H,(H2,5,6
    ,7,8);
    ZEMGGZBWXRYJHK-UHFFFAOYSA-N    		 O=C1C=CNC(=S)N1; O=C1NC(=S)NC=C1; C1=CNC
    (=S)NC1=O    		 2-thioxo-2,3-dihydropyrimidin-4(1H)-one
    37731 TUM 9 C37 H60 N4 O16 InChI=1S/C37H60N4O16/c1-1
    8(2)12-10-8-6-4-5-7-9-11-
    13-23(45)39-26-30(50)27(4
    7)21(54-36(26)57-35-25(38
    -19(3)43)29(49)28(48)22(1
    7-42)55-35)16-20(44)33-31
    (51)32(52)34(56-33)41-15-
    14-24(46)40-37(41)53/h11,
    13-15,18,20-22,25-36,42,4
    4,47-52H,4-10,12,16-17H2,
    1-3H3,(H,38,43)(H,39,45)(
    H,40,46,53)/t20-,21-,22-,
    25-,26-,27+,28-,29-,30-,3
    1+,32-,33-,34-,35-,36+/m1
    /s1;
    YJQCOFNZVFGCAF-DCSBULBVSA-N    		 CC(C)CCCCCCCCC=CC(=O)N[CH]1[CH](O)[CH](O
    )[CH](C[CH](O)[CH]2O[CH]([CH](O)[CH]2O)N
    3C=CC(=O)NC3=O)O[CH]1O[CH]4O[CH](CO)[CH]
    (O)[CH](O)[CH]4NC(C)=O; CC(C)CCCCCCCCC=C
    C(=O)NC1C(C(C(OC1OC2C(C(C(C(O2)CO)O)O)NC
    (=O)C)CC(C3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)
    O)O)O; CC(C)CCCCCCCCC=CC(=O)N[C@@H]1[C@H
    ]([C@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@H
    ]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)C[C@H](
    [C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)N
    C4=O)O)O)O)O)O; [C@H](C(=O)NC1C(OC(C(C1O
    )O)CC(C2OC(C(O)C2O)N3C(NC(C=C3)=O)=O)O)O
    C4OC(CO)C(O)C(O)C4NC(C)=O)=CCCCCCCCCC(C)
    C; CC(C)CCCCCCCCC=CC(=O)N[C@@H]1[C@@H](O
    )[C@@H](O)[C@@H](C[C@@H](O)[C@H]2O[C@H](
    [C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)O[C@H]1
    O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4
    NC(C)=O    		 Tunicamycin
    37732 TUN
    DB08658    		 1 C6 H16 N O3 P InChI=1S/C6H16NO3P/c1-4-7
    (5-2)11(8,9)10-6-3/h4-6H2
    ,1-3H3,(H,8,9);
    DUNFIZRDIMDMIH-UHFFFAOYSA-N    		 CCN(CC)[P@](=O)(O)OCC; CCO[P](O)(=O)N(CC
    )CC; O=P(O)(OCC)N(CC)CC; CCN(CC)P(=O)(O)
    OCC    		 ETHYL HYDROGEN DIETHYLAMIDOPHOSPHATE
    37733 TUO
    CHEMBL262628
    DB08659    		 1 C15 H14 N4 O3 S InChI=1S/C15H14N4O3S/c16-
    19-15(20)14-13(9-4-2-1-3-
    5-9)11-8-10(23(17,21)22)6
    -7-12(11)18-14/h1-8,18H,1
    6H2,(H,19,20)(H2,17,21,22
    );
    PPDLAUCFAOODER-UHFFFAOYSA-N    		 c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)NN)S(=O)
    (=O)N; O=S(=O)(c1cc2c(cc1)nc(c2c3ccccc3)
    C(=O)NN)N; NNC(=O)c1[nH]c2ccc(cc2c1c3ccc
    cc3)[S](N)(=O)=O    		 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide
    37734 TUP
    ZINC000004329336    		 1 C6 H11 F O5 InChI=1S/C6H11FO5/c7-3-4(
    9)2(1-8)12-6(11)5(3)10/h2
    -6,8-11H,1H2/t2-,3+,4-,5-
    ,6+/m1/s1;
    BUMRBAMACDBPKO-RXRWUWDJSA-N    		 OC[C@H]1O[C@H](O)[C@H](O)[C@@H](F)[C@@H]
    1O; C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1
    )O)O)F)O)O; OC[CH]1O[CH](O)[CH](O)[CH](F
    )[CH]1O; FC1C(C(O)OC(C1O)CO)O; C(C1C(C(C
    (C(O1)O)O)F)O)O    		 3-deoxy-3-fluoro-alpha-D-glucopyranose
    37735 TUQ
    CHEMBL3770219
    ZINC000584905762    		 1 C20 H24 Cl N5 O2 InChI=1S/C20H24ClN5O2/c1-
    12-16(13(2)26(3)25-12)11-
    19-23-24-20(28-19)17-10-1
    4(21)4-5-18(17)27-15-6-8-
    22-9-7-15/h4-5,10,15,22H,
    6-9,11H2,1-3H3;
    AYWNZLSZEHOECC-UHFFFAOYSA-N    		 Cn1nc(C)c(Cc2oc(nn2)c3cc(Cl)ccc3OC4CCNCC
    4)c1C; Cc1c(c(n(n1)C)C)Cc2nnc(o2)c3cc(cc
    c3OC4CCNCC4)Cl    		 4-(4-chloro-2-{5-[(trimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}phenoxy)piperidine
    37736 TUR 0 C12 H22 O11 InChI=1S/C12H22O11/c13-1-
    4-6(16)8(18)9(19)11(21-4)
    22-10-7(17)5(2-14)23-12(1
    0,20)3-15/h4-11,13-20H,1-
    3H2/t4-,5-,6-,7-,8+,9-,10
    +,11-,12+/m1/s1;
    DRQXUCVJDCRJDB-UGDNZRGBSA-N    		 C(C1C(C(C(C(O1)OC2C(C(OC2(CO)O)CO)O)O)O)
    O)O; OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O
    [C]2(O)CO)[CH](O)[CH](O)[CH]1O; C([C@@H]
    1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@
    H]([C@H](O[C@]2(CO)O)CO)O)O)O)O)O; O(C1C
    (O)C(OC1(O)CO)CO)C2OC(CO)C(O)C(O)C2O; OC
    [C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[
    C@@]2(O)CO)[C@H](O)[C@@H](O)[C@@H]1O    		 3-O-alpha-D-glucopyranosyl-alpha-D-fructofuranose
    37737 TUS
    CHEMBL5315131
    ZINC000022056037    		 1 C23 H29 N O5 InChI=1S/C23H29NO5/c1-12-
    24-23(18(28)11-25)19(29-1
    2)9-16-15-5-4-13-8-14(26)
    6-7-21(13,2)20(15)17(27)1
    0-22(16,23)3/h6-8,15-17,1
    9-20,25,27H,4-5,9-11H2,1-
    3H3/t15-,16-,17-,19+,20+,
    21-,22-,23+/m0/s1;
    KENSGCYKTRNIST-RVUAFKSESA-N    		 CC1=N[C]2([CH](C[CH]3[CH]4CCC5=CC(=O)C=C
    [C]5(C)[CH]4[CH](O)C[C]23C)O1)C(=O)CO; C
    23(C4C(CC1(C5(C(CC1C4CCC2=CC(C=C3)=O)OC(
    C)=N5)C(CO)=O)C)O)C; CC1=NC2(C(O1)CC3C2(
    CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)CO; C
    C1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@
    H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C
    )C(=O)CO; CC1=N[C@@]2([C@@H](C[C@H]3[C@@
    H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)
    C[C@]23C)O1)C(=O)CO    		 (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one
    37738 TUT
    ZINC000584905761    		 1 C21 H24 Cl N3 O3 InChI=1S/C21H24ClN3O3/c1-
    27-17-4-2-3-14(11-17)12-2
    0(23)25-21(26)18-13-15(22
    )5-6-19(18)28-16-7-9-24-1
    0-8-16/h2-6,11,13,16,24H,
    7-10,12H2,1H3,(H2,23,25,2
    6);
    ASGVJWYYPPACHP-UHFFFAOYSA-N    		 COc1cccc(c1)CC(=N)NC(=O)c2cc(ccc2OC3CCNC
    C3)Cl; COc1cccc(CC(=N)NC(=O)c2cc(Cl)ccc2
    OC3CCNCC3)c1; [H]/N=C(\Cc1cccc(c1)OC)/NC
    (=O)c2cc(ccc2OC3CCNCC3)Cl    		 5-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
    37739 TUU 1 C14 H17 N3 O2 S InChI=1S/C14H17N3O2S/c18-
    20(19,17-8-3-6-15-7-9-17)
    14-11-16-10-12-4-1-2-5-13
    (12)14/h1-2,4-5,10-11,15H
    ,3,6-9H2;
    YLQVZQMUQBENIS-UHFFFAOYSA-N    		 O=[S](=O)(N1CCCNCC1)c2cncc3ccccc23; c1cc
    c2c(c1)cncc2S(=O)(=O)N3CCCNCC3    		 4-(1,4-diazepan-1-ylsulfonyl)isoquinoline
    37740 TUV
    ZINC000071257352    		 1 C22 H28 O4 InChI=1S/C22H28O4/c1-13-1
    0-18-16-5-4-14-11-15(24)6
    -8-20(14,2)17(16)7-9-21(1
    8,3)22(13,26)19(25)12-23/
    h6-8,11,13,16,18,23,26H,4
    -5,9-10,12H2,1-3H3/t13-,1
    6-,18-,20+,21+,22+/m1/s1;
    ZYTXTXAMMDTYDQ-YDOWFDMNSA-N    		 C[CH]1C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)C3
    =CC[C]2(C)[C]1(O)C(=O)CO; C[C@@H]1C[C@@H
    ]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]
    2(C)[C@@]1(O)C(=O)CO; C[C@@H]1C[C@@H]2[C
    @@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C
    @]1(C(=O)CO)O)C)C; C12(C)C=CC(=O)C=C1CCC
    4C2=CCC3(C)C(C(CO)=O)(C(CC34)C)O; CC1CC2
    C3CCC4=CC(=O)C=CC4(C3=CCC2(C1(C(=O)CO)O)
    C)C    		 vamorolone;
    (8alpha,14beta,16alpha,17alpha)-17,21-dihydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione
    37741 TUW
    CHEMBL4859962    		 1 C29 H27 Cl F N3 O4 InChI=1S/C29H27ClFN3O4/c1
    -27(2,37)20-11-23-25(24(3
    1)12-20)29(19-4-6-21(30)7
    -5-19,38-17-28(16-35)9-10
    -28)34(26(23)36)15-22-8-3
    -18(13-32)14-33-22/h3-8,1
    1-12,14,35,37H,9-10,15-17
    H2,1-2H3/t29-/m1/s1;
    GDVBWGYVVZIZIR-GDLZYMKVSA-N    		 CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(
    cn3)C#N)(c4ccc(cc4)Cl)OCC5(CC5)CO)O; CC(
    C)(c1cc2c(c(c1)F)C(N(C2=O)Cc3ccc(cn3)C#N
    )(c4ccc(cc4)Cl)OCC5(CC5)CO)O; CC(C)(O)c1
    cc(F)c2c(c1)C(=O)N(Cc3ccc(cn3)C#N)[C]2(O
    CC4(CO)CC4)c5ccc(Cl)cc5; CC(C)(O)c1cc(F)
    c2c(c1)C(=O)N(Cc3ccc(cn3)C#N)[C@@]2(OCC4
    (CO)CC4)c5ccc(Cl)cc5    		 6-[[(1~{R})-1-(4-chlorophenyl)-7-fluoranyl-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-2-yl]methyl]pyridine-3-carbonitrile
    37742 TUX
    CHEMBL1236446
    DB01991
    ZINC000058661188    		 3 C22 H41 N O7 InChI=1S/C22H41NO7/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    20(26)30-22-17(14-19(25)2
    3-28)16-29-18(15-24)21(22
    )27/h17-18,21-22,24,27-28
    H,2-16H2,1H3,(H,23,25)/t1
    7-,18+,21+,22+/m0/s1;
    INAPDIIIYSWKOC-XHIHJMKYSA-N    		 CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](CO[C@H](
    CO)[C@H]1O)CC(=O)NO; CCCCCCCCCCCCCC(=O)O
    [CH]1[CH](CO[CH](CO)[CH]1O)CC(=O)NO; O=C
    (NO)CC1C(OC(=O)CCCCCCCCCCCCC)C(O)C(OC1)C
    O; CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](CO[C@
    @H]([C@H]1O)CO)CC(=O)NO; CCCCCCCCCCCCCC(
    =O)OC1C(COC(C1O)CO)CC(=O)NO    		 1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL;
    TU-514
    37743 TUY 2 C25 H40 N7 O21 P3 S InChI=1S/C25H40N7O21P3S/c
    1-25(2,18(37)21(38)28-4-3
    -12(33)27-5-6-57-24(41)15
    (35)14(34)23(39)40)8-50-5
    6(47,48)53-55(45,46)49-7-
    11-17(52-54(42,43)44)16(3
    6)22(51-11)32-10-31-13-19
    (26)29-9-30-20(13)32/h9-1
    1,14-18,22,34-37H,3-8H2,1
    -2H3,(H,27,33)(H,28,38)(H
    ,39,40)(H,45,46)(H,47,48)
    (H2,26,29,30)(H2,42,43,44
    )/t11-,14-,15-,16-,17-,18
    +,22-/m1/s1;
    WLCAXJYUSAHDIC-HNBYOPSBSA-N    		 CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H](
    [C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(
    O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)[C@@H]([
    C@H](C(=O)O)O)O)O; CC(C)(CO[P](O)(=O)O[P
    ](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)
    (O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(
    =O)NCCSC(=O)[CH](O)[CH](O)C(O)=O; CC(C)(
    CO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H]([C
    @H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc
    23)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@H](
    O)[C@@H](O)C(O)=O; CC(C)(COP(=O)(O)OP(=O
    )(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)
    (O)O)C(C(=O)NCCC(=O)NCCSC(=O)C(C(C(=O)O)
    O)O)O; O(P(=O)(O)OCC1C(OP(=O)(O)O)C(O)C(
    O1)n3cnc2c3ncnc2N)P(OCC(C(C(NCCC(=O)NCCS
    C(=O)C(C(C(O)=O)O)O)=O)O)(C)C)(O)=O    		 (3S,5S,9R,20R,21R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20, 21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name);
    Tartryl-CoA
    37744 TUZ
    CHEMBL4874698    		 1 C28 H26 Cl2 F N3 O4 InChI=1S/C28H26Cl2FN3O4/c
    1-26(2,37)17-11-21-23(22(
    31)12-17)28(16-3-5-18(29)
    6-4-16,38-15-27(9-10-27)2
    5(32)36)34(24(21)35)14-20
    -8-7-19(30)13-33-20/h3-8,
    11-13,37H,9-10,14-15H2,1-
    2H3,(H2,32,36)/t28-/m1/s1;
    QEBHYSMAGWDGTO-MUUNZHRXSA-N    		 CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc3ccc(Cl)c
    n3)[C]2(OCC4(CC4)C(N)=O)c5ccc(Cl)cc5; CC
    (C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn
    3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)C(=O)N)O; CC
    (C)(O)c1cc(F)c2c(c1)C(=O)N(Cc3ccc(Cl)cn3
    )[C@@]2(OCC4(CC4)C(N)=O)c5ccc(Cl)cc5; CC
    (C)(c1cc2c(c(c1)F)C(N(C2=O)Cc3ccc(cn3)Cl
    )(c4ccc(cc4)Cl)OCC5(CC5)C(=O)N)O    		 1-[[(1~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide
    37745 TV0 1 C9 H13 N3 O5 S InChI=1S/C9H13N3O5S/c10-4
    -1-2-12(8(16)11-4)7-5(14)
    6(15)9(17,3-13)18-7/h1-2,
    5-7,13-15,17H,3H2,(H2,10,
    11,16)/t5-,6+,7-,9+/m1/s1;
    NCKQSFKRXULRQX-AYHNYZOXSA-N    		 NC1=NC(=O)N(C=C1)[CH]2S[C](O)(CO)[CH](O)
    [CH]2O; NC1=NC(=O)N(C=C1)[C@@H]2S[C@@](O
    )(CO)[C@@H](O)[C@H]2O; C1=CN(C(=O)N=C1N)
    [C@H]2[C@@H]([C@@H]([C@@](S2)(CO)O)O)O;
    C1=CN(C(=O)N=C1N)C2C(C(C(S2)(CO)O)O)O    		 4-azanyl-1-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)thiolan-2-yl]pyrimidin-2-one
    37746 TV1 3 C27 H37 N5 O4 InChI=1S/C27H37N5O4/c1-4-
    27(34,35)13-9-5-6-12-22(3
    0-25(33)19-16-32(2)17-19)
    24-28-15-23(29-24)20-14-1
    8-10-7-8-11-21(18)31-26(2
    0)36-3/h7-8,10-11,14-15,1
    9,22,34-35H,4-6,9,12-13,1
    6-17H2,1-3H3,(H,28,29)(H,
    30,33)/t22-/m0/s1;
    REZJYZJEUVOCFM-QFIPXVFZSA-N    		 CCC(O)(O)CCCCC[C@H](NC(=O)C1CN(C)C1)c2[n
    H]c(cn2)c3cc4ccccc4nc3OC; CCC(CCCCCC(c1[
    nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C4CN(C4)
    C)(O)O; c1ccc2c(c1)cc(c(n2)OC)c3cnc(n3)C
    (CCCCCC(CC)(O)O)NC(C4CN(C4)C)=O; CCC(CCC
    CC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC
    (=O)C4CN(C4)C)(O)O; CCC(O)(O)CCCCC[CH](N
    C(=O)C1CN(C)C1)c2[nH]c(cn2)c3cc4ccccc4nc
    3OC    		 N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-1-methylazetidine-3-carboxamide
    37747 TV2
    CHEMBL3309985
    ZINC000098209469    		 1 C17 H13 N5 O2 InChI=1S/C17H13N5O2/c18-1
    7-20-16-11-3-1-2-4-12(11)
    19-15(22(16)21-17)8-10-5-
    6-13-14(7-10)24-9-23-13/h
    1-7H,8-9H2,(H2,18,21);
    GPDFQUXFCMBYJK-UHFFFAOYSA-N    		 c1ccc2c(c1)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5
    )N; O1c2ccc(cc2OC1)Cc5nc3ccccc3c4nc(nn45
    )N; Nc1nn2c(Cc3ccc4OCOc4c3)nc5ccccc5c2n1    		 5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine
    37748 TV3 3 C32 H36 N2 O3 InChI=1S/C32H36N2O3/c1-2-
    17-33-18-14-23(21-33)22-3
    7-28-11-8-24(9-12-28)30-2
    9-13-10-27(35)19-26(29)20
    -32(15-16-32)34(30)31(36)
    25-6-4-3-5-7-25/h3-13,19,
    23,30,35H,2,14-18,20-22H2
    ,1H3/t23-,30-/m1/s1;
    YWXZATRLFWYLOV-WVXBCFDCSA-N    		 CCCN1CCC(C1)COc2ccc(cc2)C3c4ccc(cc4CC5(N
    3C(=O)c6ccccc6)CC5)O; CCCN1CC[C@H](C1)CO
    c2ccc(cc2)[C@@H]3c4ccc(cc4CC5(N3C(=O)c6c
    cccc6)CC5)O; CCCN1CC[C@@H](COc2ccc(cc2)[
    C@H]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc3
    6)C1; CCCN1CC[CH](COc2ccc(cc2)[CH]3N(C(=
    O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36)C1; CCCN
    1CCC(C1)COc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2
    )N1C(=O)c1ccccc1    		 [(1'R)-6'-hydroxy-1'-(4-{[(3R)-1-propylpyrrolidin-3-yl]methoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
    37749 TV4
    CHEMBL1945020
    ZINC000073198117    		 2 C15 H15 Br F2 N4 O3 S InChI=1S/C15H15BrF2N4O3S/
    c1-2-5-26(24,25)22-11-4-3
    -10(17)12(13(11)18)15(23)
    21-8-6-9(16)14(19)20-7-8/
    h3-4,6-7,22H,2,5H2,1H3,(H
    2,19,20)(H,21,23);
    OJZKGEWGLIEDBZ-UHFFFAOYSA-N    		 Brc2cc(NC(=O)c1c(F)ccc(NS(=O)(=O)CCC)c1F
    )cnc2N; CCC[S](=O)(=O)Nc1ccc(F)c(c1F)C(=
    O)Nc2cnc(N)c(Br)c2; CCCS(=O)(=O)Nc1ccc(c
    (c1F)C(=O)Nc2cc(c(nc2)N)Br)F    		 N-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide
    37750 TV5
    CHEMBL4846050    		 1 C27 H25 Cl2 F N2 O4 InChI=1S/C27H25Cl2FN2O4/c
    1-25(2,34)17-11-21-23(22(
    30)12-17)27(36-15-26(35)9
    -10-26,16-3-5-18(28)6-4-1
    6)32(24(21)33)14-20-8-7-1
    9(29)13-31-20/h3-8,11-13,
    34-35H,9-10,14-15H2,1-2H3
    /t27-/m1/s1;
    LAGWUKAFTJACQB-HHHXNRCGSA-N    		 CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(
    cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)O)O; CC(C)
    (O)c1cc(F)c2c(c1)C(=O)N(Cc3ccc(Cl)cn3)[C
    @@]2(OCC4(O)CC4)c5ccc(Cl)cc5; CC(C)(c1cc
    2c(c(c1)F)C(N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(
    cc4)Cl)OCC5(CC5)O)O; CC(C)(O)c1cc(F)c2c(
    c1)C(=O)N(Cc3ccc(Cl)cn3)[C]2(OCC4(O)CC4)
    c5ccc(Cl)cc5    		 (3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[(1-oxidanylcyclopropyl)methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one
    37751 TV6 2 C9 H11 Cl2 N O InChI=1S/C9H11Cl2NO/c1-6(
    12)5-13-9-3-7(10)2-8(11)4
    -9/h2-4,6H,5,12H2,1H3/t6-
    /m0/s1;
    YNVNHWOJYTUTFH-LURJTMIESA-N    		 C[C@H](N)COc1cc(Cl)cc(Cl)c1; C[CH](N)COc
    1cc(Cl)cc(Cl)c1; CC(COc1cc(cc(c1)Cl)Cl)N    		 1-[3,5-bis(chloranyl)phenoxy]propan-2-amine
    37752 TV7 3 C32 H45 N5 O4 InChI=1S/C32H45N5O4/c1-4-
    32(39,40)14-10-6-7-13-26(
    35-29(38)24-20-31(24)15-1
    7-37(5-2)18-16-31)28-33-2
    1-27(34-28)23-19-22-11-8-
    9-12-25(22)36-30(23)41-3/
    h8-9,11-12,19,21,24,26,39
    -40H,4-7,10,13-18,20H2,1-
    3H3,(H,33,34)(H,35,38)/t2
    4-,26+/m1/s1;
    YPIRISRXAGVBOC-RSXGOPAZSA-N    		 CCN1CCC2(CC1)C[C@@H]2C(=O)N[C@@H](CCCCCC
    (O)(O)CC)c3[nH]c(cn3)c4cc5ccccc5nc4OC; C
    CC(CCCCCC(c1[nH]c(cn1)c2cc3ccccc3nc2OC)N
    C(=O)C4CC45CCN(CC5)CC)(O)O; CCC(CCCCC[C@
    @H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)[
    C@H]4CC45CCN(CC5)CC)(O)O; C(C)C(CCCCCC(c
    3ncc(c1c(nc2c(c1)cccc2)OC)n3)NC(=O)C5CC4
    5CCN(CC)CC4)(O)O; CCN1CCC2(CC1)C[CH]2C(=
    O)N[CH](CCCCCC(O)(O)CC)c3[nH]c(cn3)c4cc5
    ccccc5nc4OC    		 (1S)-N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide
    37753 TV8 1 C12 H17 N5 O4 InChI=1S/C12H17N5O4/c1-13
    -10-7-11(15-4-14-10)17(5-
    16-7)12-9(20-2)8(19)6(3-1
    8)21-12/h4-6,8-9,12,18-19
    H,3H2,1-2H3,(H,13,14,15)/
    t6-,8+,9-,12-/m1/s1;
    GRYSXUXXBDSYRT-IQEPQDSISA-N    		 CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)OC; C
    Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@
    H](O3)CO)O)OC; CNc1ncnc2n(cnc12)[C@@H]3O
    [C@H](CO)[C@H](O)[C@H]3OC; CNc1ncnc2n(cn
    c12)[CH]3O[CH](CO)[CH](O)[CH]3OC    		 (2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol
    37754 TV9
    ZINC000058277865    		 1 C11 H14 N2 O InChI=1S/C11H14N2O/c1-8(1
    0-3-2-6-12-7-10)13-11(14)
    9-4-5-9/h2-3,6-9H,4-5H2,1
    H3,(H,13,14)/t8-/m0/s1;
    XMSIZXIEDPYJDR-QMMMGPOBSA-N    		 CC(c1cccnc1)NC(=O)C2CC2; CC(NC(=O)C1CC1)
    c1cccnc1; C[C@@H](c1cccnc1)NC(=O)C2CC2;
    C[C@H](NC(=O)C1CC1)c2cccnc2; C[CH](NC(=O
    )C1CC1)c2cccnc2    		 N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide
    37755 TVA
    ZINC000263621020    		 0 C13 H22 N2 O3 S InChI=1S/C13H22N2O3S/c1-2
    -4-11(13(17)18)15-8-12(16
    )10(14)7-9-5-3-6-19-9/h3,
    5-6,10-12,15-16H,2,4,7-8,
    14H2,1H3,(H,17,18)/t10-,1
    1-,12+/m0/s1;
    SBDMCSLKBJNTHB-SDDRHHMPSA-N    		 CCC[C@H](NC[C@@H](O)[C@@H](N)Cc1sccc1)C(
    O)=O; CCC[C@@H](C(=O)O)NC[C@H]([C@H](Cc1
    cccs1)N)O; O=C(O)C(NCC(O)C(N)Cc1sccc1)CC
    C; CCC[CH](NC[CH](O)[CH](N)Cc1sccc1)C(O)
    =O; CCCC(C(=O)O)NCC(C(Cc1cccs1)N)O    		 N-[(2R,3S)-3-amino-2-hydroxy-4-(thiophen-2-yl)butyl]-L-norvaline
    37756 TVB 1 C17 H17 N O3 S InChI=1S/C17H17NO3S/c1-13
    -6-9-15-4-2-3-5-17(15)18(
    13)22(20,21)16-10-7-14(12
    -19)8-11-16/h2-5,7-8,10-1
    3H,6,9H2,1H3/t13-/m1/s1;
    RSNAWSDGPBFBEZ-CYBMUJFWSA-N    		 CC1CCc2ccccc2N1S(=O)(=O)c3ccc(cc3)C=O; C
    [C@@H]1CCc2ccccc2N1S(=O)(=O)c3ccc(cc3)C=
    O; C[C@@H]1CCc2ccccc2N1[S](=O)(=O)c3ccc(
    C=O)cc3; C[CH]1CCc2ccccc2N1[S](=O)(=O)c3
    ccc(C=O)cc3    		 4-[[(2~{R})-2-methyl-3,4-dihydro-2~{H}-quinolin-1-yl]sulfonyl]benzaldehyde
    37757 TVC
    CHEMBL4159328
    ZINC000002529015    		 3 C17 H12 O2 InChI=1S/C17H12O2/c18-17(
    19)16-7-3-6-14(11-16)15-9
    -8-12-4-1-2-5-13(12)10-15
    /h1-11H,(H,18,19);
    QOPDOKREBSOVNG-UHFFFAOYSA-N    		 OC(=O)c1cccc(c1)c2ccc3ccccc3c2; c1ccc2cc
    (ccc2c1)c3cccc(c3)C(=O)O    		 3-naphthalen-2-ylbenzoic acid
    37758 TVD 2 C10 H18 N2 O6 InChI=1S/C10H18N2O6/c1-4(
    14)11-7-9(17)8(16)6(3-13)
    18-10(7)12-5(2)15/h6-10,1
    3,16-17H,3H2,1-2H3,(H,11,
    14)(H,12,15)/t6-,7-,8-,9-
    ,10-/m1/s1;
    MVMHZICMHUYFIW-VVULQXIFSA-N    		 CC(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1
    NC(C)=O; CC(=O)NC1C(C(C(OC1NC(=O)C)CO)O)
    O; CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@
    H]1NC(=O)C)CO)O)O; CC(=O)N[C@@H]1O[C@H](
    CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O; O=C(C
    )NC1C(O)C(O)C(OC1NC(C)=O)CO    		 N-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosylamine
    37759 TVE 2 C22 H27 N3 O7 S InChI=1S/C22H27N3O7S/c1-1
    0-17(15(9-26)11(2)27)25-1
    8(22(31)32)19(10)33-14-7-
    16(23-8-14)20(28)24-13-5-
    3-4-12(6-13)21(29)30/h3-6
    ,9-11,14-16,18-19,23,27H,
    7-8H2,1-2H3,(H,24,28)(H,2
    9,30)(H,31,32)/t10-,11-,1
    4?,15-,16?,18-,19-/m1/s1;
    IYAWOFDGKUIGMU-BLNVEPNZSA-N    		 CC1C(C(N=C1C(C=O)C(C)O)C(=O)O)SC2CC(NC2)
    C(=O)Nc3cccc(c3)C(=O)O; C[CH](O)[CH](C=O
    )C1=N[CH]([CH](SC2CNC(C2)C(=O)Nc3cccc(c3
    )C(O)=O)[CH]1C)C(O)=O; C[C@@H](O)[C@@H](
    C=O)C1=N[C@H]([C@H](SC2CNC(C2)C(=O)Nc3cc
    cc(c3)C(O)=O)[C@@H]1C)C(O)=O; C[C@H]1[C@
    H]([C@@H](N=C1[C@H](C=O)[C@@H](C)O)C(=O)
    O)SC2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O    		 (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid
    37760 TVF 2 C31 H34 N2 O3 InChI=1S/C31H34N2O3/c1-22
    -13-16-32(21-22)17-18-36-
    27-10-7-23(8-11-27)29-28-
    12-9-26(34)19-25(28)20-31
    (14-15-31)33(29)30(35)24-
    5-3-2-4-6-24/h2-12,19,22,
    29,34H,13-18,20-21H2,1H3/
    t22-,29-/m1/s1;
    ULSUZDNWLGJRBJ-KPURRNSFSA-N    		 CC1CCN(C1)CCOc2ccc(cc2)C3c4ccc(cc4CC5(N3
    C(=O)c6ccccc6)CC5)O; C[C@@H]1CCN(C1)CCOc
    2ccc(cc2)[C@@H]3c4ccc(cc4CC5(N3C(=O)c6cc
    ccc6)CC5)O; C[CH]1CCN(CCOc2ccc(cc2)[CH]3
    N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36)C1;
    C[C@@H]1CCN(CCOc2ccc(cc2)[C@H]3N(C(=O)c
    4ccccc4)C5(CC5)Cc6cc(O)ccc36)C1; CC1CCN(
    C1)CCOc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C
    (=O)c1ccccc1    		 [(1'R)-6'-hydroxy-1'-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
    37761 TVG 1 C9 H18 O6 InChI=1S/C9H18O6/c1-2-3-1
    4-9-7(13)6(12)8(15-9)5(11
    )4-10/h5-13H,2-4H2,1H3/t5
    -,6-,7-,8+,9-/m1/s1;
    HCLWENMJMONBDC-GOFVFXDOSA-N    		 CCCO[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C
    @H]1O; OC1C(OC(C1O)OCCC)C(CO)O; CCCO[CH]
    1O[CH]([CH](O)CO)[CH](O)[CH]1O; CCCO[C@H
    ]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O
    ; CCCOC1C(C(C(O1)C(CO)O)O)O    		 propyl beta-D-galactofuranoside
    37762 TVH
    CHEMBL4852911
    ZINC000072126876    		 4 C26 H22 Cl2 N2 O5 InChI=1S/C26H22Cl2N2O5/c2
    7-19-8-6-18(7-9-19)26(35-
    16-25(15-31)12-13-25)23-2
    1(2-1-3-22(23)28)24(32)29
    (26)14-17-4-10-20(11-5-17
    )30(33)34/h1-11,31H,12-16
    H2/t26-/m1/s1;
    DWRQUFAXBKEFJN-AREMUKBSSA-N    		 c1cc2c(c(c1)Cl)C(N(C2=O)Cc3ccc(cc3)[N+](
    =O)[O-])(c4ccc(cc4)Cl)OCC5(CC5)CO; OCC1(
    CC1)CO[C@]2(N(Cc3ccc(cc3)[N+]([O-])=O)C(
    =O)c4cccc(Cl)c24)c5ccc(Cl)cc5; c1cc2c(c(
    c1)Cl)[C@@](N(C2=O)Cc3ccc(cc3)[N+](=O)[O
    -])(c4ccc(cc4)Cl)OCC5(CC5)CO; OCC1(CC1)C
    O[C]2(N(Cc3ccc(cc3)[N+]([O-])=O)C(=O)c4c
    ccc(Cl)c24)c5ccc(Cl)cc5    		 (3~{R})-4-chloranyl-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindol-1-one
    37763 TVI 1 C12 H14 Br N5 O2 InChI=1S/C12H14BrN5O2/c13
    -8-1-10(3-14-2-8)20-7-9-6
    -18(17-16-9)11-4-15-5-12(
    11)19/h1-3,6,11-12,15,19H
    ,4-5,7H2/t11-,12-/m1/s1;
    GZDISGCMSVDHKR-VXGBXAGGSA-N    		 O[CH]1CNC[CH]1n2cc(COc3cncc(Br)c3)nn2; O
    [C@@H]1CNC[C@H]1n2cc(COc3cncc(Br)c3)nn2;
    c1c(cncc1Br)OCc2cn(nn2)[C@@H]3CNC[C@H]3
    O; c1c(cncc1Br)OCc2cn(nn2)C3CNCC3O    		 (3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol
    37764 TVJ 24 C10 H13 N4 O7 P InChI=1S/C10H13N4O7P/c1-5
    -8(15)7(3-13-14-10(17)9(1
    1)16)6(2-12-5)4-21-22(18,
    19)20/h2-3,15H,4H2,1H3,(H
    2,11,16)(H,14,17)(H2,18,1
    9,20)/b13-3+;
    QXOGMDGTZNDNSY-QLKAYGNNSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/NC(=O)C(=O
    )N)O; Cc1ncc(CO[P](O)(O)=O)c(\C=N\NC(=O)
    C(N)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)C=N
    NC(=O)C(=O)N)O; Cc1ncc(CO[P](O)(O)=O)c(C
    =NNC(=O)C(N)=O)c1O    		 [6-methyl-4-[(~{E})-(oxamoylhydrazinylidene)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
    37765 TVK
    CHEMBL5028664    		 1 C28 H27 Cl2 F N2 O4 InChI=1S/C28H27Cl2FN2O4/c
    1-26(2,36)18-11-22-24(23(
    31)12-18)28(17-3-5-19(29)
    6-4-17,37-16-27(15-34)9-1
    0-27)33(25(22)35)14-21-8-
    7-20(30)13-32-21/h3-8,11-
    13,34,36H,9-10,14-16H2,1-
    2H3/t28-/m1/s1;
    WLOCTJJGJPSXJZ-MUUNZHRXSA-N    		 CC(C)(c1cc2c(c(c1)F)C(N(C2=O)Cc3ccc(cn3)
    Cl)(c4ccc(cc4)Cl)OCC5(CC5)CO)O; CC(C)(O)
    c1cc(F)c2c(c1)C(=O)N(Cc3ccc(Cl)cn3)[C]2(
    OCC4(CO)CC4)c5ccc(Cl)cc5; CC(C)(c1cc2c(c
    (c1)F)[C@@](N(C2=O)Cc3ccc(cn3)Cl)(c4ccc(
    cc4)Cl)OCC5(CC5)CO)O; CC(C)(O)c1cc(F)c2c
    (c1)C(=O)N(Cc3ccc(Cl)cn3)[C@@]2(OCC4(CO)
    CC4)c5ccc(Cl)cc5    		 (3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one
    37766 TVL 2 C31 H34 N2 O3 InChI=1S/C31H34N2O3/c1-22
    -6-5-17-32(22)18-19-36-27
    -12-9-23(10-13-27)29-28-1
    4-11-26(34)20-25(28)21-31
    (15-16-31)33(29)30(35)24-
    7-3-2-4-8-24/h2-4,7-14,20
    ,22,29,34H,5-6,15-19,21H2
    ,1H3/t22-,29-/m1/s1;
    OHGGEJWEOMFUHC-KPURRNSFSA-N    		 C[CH]1CCCN1CCOc2ccc(cc2)[CH]3N(C(=O)c4cc
    ccc4)C5(CC5)Cc6cc(O)ccc36; CC1CCCN1CCOc2
    ccc(cc2)C3c4ccc(cc4CC5(N3C(=O)c6ccccc6)C
    C5)O; CC1CCCN1CCOc1ccc(cc1)C1c2ccc(O)cc2
    CC2(CC2)N1C(=O)c1ccccc1; C[C@@H]1CCCN1CC
    Oc2ccc(cc2)[C@@H]3c4ccc(cc4CC5(N3C(=O)c6
    ccccc6)CC5)O; C[C@@H]1CCCN1CCOc2ccc(cc2)
    [C@H]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc
    36    		 [(1'R)-6'-hydroxy-1'-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
    37767 TVM 1 C14 H20 O7 InChI=1S/C14H20O7/c1-19-9
    -4-2-3-8(5-9)7-20-13-11(1
    6)10(6-15)21-14(18)12(13)
    17/h2-5,10-18H,6-7H2,1H3/
    t10-,11+,12-,13+,14-/m1/s
    1;
    UGTWEYDLNXWGMR-XHJNMGKDSA-N    		 COc1cccc(c1)COC2C(C(OC(C2O)O)CO)O; COc1c
    ccc(CO[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)
    [C@@H]2O)c1; COc1cccc(c1)CO[C@H]2[C@H]([
    C@H](O[C@H]([C@@H]2O)O)CO)O; C2(O)C(OCc1
    cc(ccc1)OC)C(C(OC2CO)O)O; COc1cccc(CO[CH
    ]2[CH](O)[CH](O)O[CH](CO)[CH]2O)c1    		 3-O-[(3-methoxyphenyl)methyl]-beta-D-galactopyranose
    37768 TVN
    ZINC000016052138    		 1 C21 H32 N5 O9 P InChI=1S/C21H32N5O9P/c1-1
    1(2)18(21(31)25-15(19(23)
    29)10-16(22)27)26-20(30)1
    3(9-17(28)24-3)8-12-4-6-1
    4(7-5-12)35-36(32,33)34/h
    4-7,11,13,15,18H,8-10H2,1
    -3H3,(H2,22,27)(H2,23,29)
    (H,24,28)(H,25,31)(H,26,3
    0)(H2,32,33,34)/t13-,15+,
    18+/m1/s1;
    CCEFGGFBPGVHRR-XUWXXGDYSA-N    		 CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)
    NC(=O)[C@H](Cc1ccc(cc1)OP(=O)(O)O)CC(=O)
    NC; CNC(=O)C[CH](Cc1ccc(O[P](O)(O)=O)cc1
    )C(=O)N[CH](C(C)C)C(=O)N[CH](CC(N)=O)C(N
    )=O; CNC(=O)C[C@@H](Cc1ccc(O[P](O)(O)=O)
    cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N
    )=O)C(N)=O; CC(C)C(C(=O)NC(CC(=O)N)C(=O)
    N)NC(=O)C(Cc1ccc(cc1)OP(=O)(O)O)CC(=O)NC
    ; O=C(N)CC(C(=O)N)NC(=O)C(NC(=O)C(CC(=O)
    NC)Cc1ccc(OP(=O)(O)O)cc1)C(C)C    		 N-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-valyl-L-aspartamide
    37769 TVO
    ZINC000223530144    		 1 C13 H18 N2 O InChI=1S/C13H18N2O/c16-13
    -8-14-7-12(13)15-6-5-10-3
    -1-2-4-11(10)9-15/h1-4,12
    -14,16H,5-9H2/t12-,13-/m1
    /s1;
    YOMLWJZQKDDDDV-CHWSQXEVSA-N    		 c1ccc2c(c1)CCN(C2)[C@@H]3CNC[C@H]3O; O[C
    @@H]1CNC[C@H]1N2CCc3ccccc3C2; O[CH]1CNC[
    CH]1N2CCc3ccccc3C2; c1ccc2c(c1)CCN(C2)C3
    CNCC3O    		 (3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol
    37770 TVP
    ZINC000000249636    		 5 C12 H15 N O InChI=1S/C12H15NO/c1-9-7-
    8-11-5-3-4-6-12(11)13(9)1
    0(2)14/h3-6,9H,7-8H2,1-2H
    3/t9-/m0/s1;
    IJTWYLGCGAIGAQ-VIFPVBQESA-N    		 C[C@H]1CCc2ccccc2N1C(=O)C; CC1CCc2ccccc2
    N1C(=O)C; C[CH]1CCc2ccccc2N1C(C)=O; C[C@
    H]1CCc2ccccc2N1C(C)=O; O=C(N2c1ccccc1CCC
    2C)C    		 (2S)-1-ACETYL-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINE
    37771 TVQ
    ZINC000004642679    		 1 C5 H9 N O S2 InChI=1S/C5H9NOS2/c1-9(7)
    4-2-3-6-5-8/h2-4H2,1H3/t9
    -/m1/s1;
    LELAOEBVZLPXAZ-SECBINFHSA-N    		 C[S@@](=O)CCCN=C=S; CS(=O)CCCN=C=S; C[S]
    (=O)CCCN=C=S    		 1-isothiocyanato-3-methylsulfinyl-propane;
    iberin
    37772 TVR
    ZINC000295069728    		 1 C10 H12 F N3 O InChI=1S/C10H12FN3O/c1-7-
    5-14(6-9(15)13-7)10-8(11)
    3-2-4-12-10/h2-4,7H,5-6H2
    ,1H3,(H,13,15)/t7-/m0/s1;
    ADIKUTCTGUZIDP-ZETCQYMHSA-N    		 C[C@H]1CN(CC(=O)N1)c2ncccc2F; CC1CN(CC(=
    O)N1)c2c(cccn2)F; C[CH]1CN(CC(=O)N1)c2nc
    ccc2F; C[C@H]1CN(CC(=O)N1)c2c(cccn2)F; F
    c1cccnc1N1CC(=O)NC(C)C1    		 (6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one
    37773 TVS
    CHEMBL239456
    ZINC000028871852    		 2 C11 H19 N O6 InChI=1S/C11H19NO6/c1-3-4
    -17-11-8(12-6(2)14)10(16)
    9(15)7(5-13)18-11/h3,7-11
    ,13,15-16H,1,4-5H2,2H3,(H
    ,12,14)/t7-,8-,9-,10-,11-
    /m1/s1;
    GFLRLITULFAIEW-ISUQUUIWSA-N    		 CC(=O)NC1C(C(C(OC1OCC=C)CO)O)O; CC(=O)N[
    C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO
    )O)O; CC(=O)NC1C(OC[C@H]=C)OC(CO)C(C1O)O
    ; CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](
    CO)O[C@H]1OCC=C; CC(=O)N[CH]1[CH](O)[CH]
    (O)[CH](CO)O[CH]1OCC=C    		 prop-2-en-1-yl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
    37774 TVT
    CHEMBL3122113
    ZINC000103260600    		 2 C14 H16 F3 N7 InChI=1S/C14H16F3N7/c1-8-
    10(6-24(23-8)13(2,3)7-18)
    21-12-20-5-9(14(15,16)17)
    11(19-4)22-12/h5-6H,1-4H3
    ,(H2,19,20,21,22);
    ZPPUMAMZIMPJGP-UHFFFAOYSA-N    		 Cc1c(cn(n1)C(C)(C)C#N)Nc2ncc(c(n2)NC)C(F
    )(F)F; CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1
    C(F)(F)F    		 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile;
    2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
    37775 TVU
    CHEMBL3769688
    ZINC000231374576    		 4 C22 H24 N2 O6 S2 InChI=1S/C22H24N2O6S2/c1-
    24-12-16(13-4-5-17(29-2)1
    8(10-13)30-3)20-15(22(24)
    26)11-19(31-20)21(25)23-1
    4-6-8-32(27,28)9-7-14/h4-
    5,10-12,14H,6-9H2,1-3H3,(
    H,23,25);
    ZJDRXPZROJHILR-UHFFFAOYSA-N    		 CN1C=C(c2c(cc(s2)C(=O)NC3CCS(=O)(=O)CC3)
    C1=O)c4ccc(c(c4)OC)OC; COc1ccc(cc1OC)C2=
    CN(C)C(=O)c3cc(sc23)C(=O)NC4CC[S](=O)(=O
    )CC4    		 N-[1,1-bis(oxidanylidene)thian-4-yl]-7-(3,4-dimethoxyphenyl)-5-methyl-4-oxidanylidene-thieno[3,2-c]pyridine-2-carboxamide
    37776 TVV 2 C9 H14 O6 InChI=1S/C9H14O6/c1-2-3-1
    4-8-6(11)5(4-10)15-9(13)7
    (8)12/h1,5-13H,3-4H2/t5-,
    6+,7-,8+,9-/m1/s1;
    IMIDRHABFPPKJX-QKCLAQEOSA-N    		 OC[CH]1O[CH](O)[CH](O)[CH](OCC#C)[CH]1O;
    C#CCO[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)
    O)CO)O; C1(O)C(O)C(C(C(O1)CO)O)OCC#C; OC
    [C@H]1O[C@@H](O)[C@H](O)[C@@H](OCC#C)[C@
    H]1O; C#CCOC1C(C(OC(C1O)O)CO)O    		 3-O-prop-2-yn-1-yl-beta-D-galactopyranose
    37777 TVW
    CHEMBL388593
    ZINC000013542589    		 2 C5 H5 N5 InChI=1S/C5H5N5/c6-4-3-1-
    9-10-5(3)8-2-7-4/h1-2H,(H
    3,6,7,8,9,10);
    LHCPRYRLDOSKHK-UHFFFAOYSA-N    		 c1c2c(ncnc2n[nH]1)N; Nc1ncnc2n[nH]cc12 1H-pyrazolo[3,4-d]pyrimidin-4-amine;
    2~{H}-pyrazolo[3,4-d]pyrimidin-4-amine
    37778 TVX 2 C28 H30 N2 O3 InChI=1S/C28H30N2O3/c1-29
    (2)16-17-33-24-11-8-20(9-
    12-24)26-25-13-10-23(31)1
    8-22(25)19-28(14-15-28)30
    (26)27(32)21-6-4-3-5-7-21
    /h3-13,18,26,31H,14-17,19
    H2,1-2H3/t26-/m1/s1;
    NLBLVCCZMFPTPD-AREMUKBSSA-N    		 CN(C)CCOc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N
    1C(=O)c1ccccc1; CN(C)CCOc1ccc(cc1)C2c3cc
    c(cc3CC4(N2C(=O)c5ccccc5)CC4)O; CN(C)CCO
    c1ccc(cc1)[C@H]2N(C(=O)c3ccccc3)C4(CC4)C
    c5cc(O)ccc25; CN(C)CCOc1ccc(cc1)[CH]2N(C
    (=O)c3ccccc3)C4(CC4)Cc5cc(O)ccc25; CN(C)
    CCOc1ccc(cc1)[C@@H]2c3ccc(cc3CC4(N2C(=O)
    c5ccccc5)CC4)O    		 [(1'R)-1'-{4-[2-(dimethylamino)ethoxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
    37779 TVY 1 C14 H21 N O6 InChI=1S/C14H21NO6/c15-6-
    9(8-4-2-1-3-5-8)20-14-13(
    19)12(18)11(17)10(7-16)21
    -14/h1-5,9-14,16-19H,6-7,
    15H2/t9-,10-,11-,12+,13+,
    14+/m1/s1;
    TUDGLRPNTITXOM-TVQXOTEMSA-N    		 NC[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]
    1O)c2ccccc2; NC[C@@H](O[C@H]1O[C@H](CO)[
    C@@H](O)[C@H](O)[C@@H]1O)c2ccccc2; c1ccc
    (cc1)[C@@H](CN)O[C@@H]2[C@H]([C@H]([C@@H
    ]([C@H](O2)CO)O)O)O; c1cccc(c1)C(OC2C(O)
    C(C(C(O2)CO)O)O)CN; c1ccc(cc1)C(CN)OC2C(
    C(C(C(O2)CO)O)O)O    		 (1S)-2-amino-1-phenylethyl alpha-D-mannopyranoside
    37780 TVZ
    CHEMBL4159007    		 4 C14 H11 N O3 InChI=1S/C14H11NO3/c15-13
    (16)10-6-4-9(5-7-10)11-2-
    1-3-12(8-11)14(17)18/h1-8
    H,(H2,15,16)(H,17,18);
    NZYMBNSXWYJPEG-UHFFFAOYSA-N    		 NC(=O)c1ccc(cc1)c2cccc(c2)C(O)=O; c1cc(c
    c(c1)C(=O)O)c2ccc(cc2)C(=O)N    		 3-(4-aminocarbonylphenyl)benzoic acid
    37781 TW0 2 C12 H15 N5 O InChI=1S/C12H15N5O/c18-12
    -7-13-6-4-11(12)17-8-10(1
    5-16-17)9-3-1-2-5-14-9/h1
    -3,5,8,11-13,18H,4,6-7H2/
    t11-,12-/m0/s1;
    HOLBWWKPFXUQIH-RYUDHWBXSA-N    		 O[C@H]1CNCC[C@@H]1n2cc(nn2)c3ccccn3; c1c
    cnc(c1)c2cn(nn2)C3CCNCC3O; c1ccnc(c1)c2c
    n(nn2)[C@H]3CCNC[C@@H]3O; O[CH]1CNCC[CH]
    1n2cc(nn2)c3ccccn3    		 (3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol
    37782 TW2
    CHEMBL5093047    		 1 C15 H13 F N6 InChI=1S/C15H13FN6/c1-22-
    14(19-7-9-4-2-3-5-11(9)16
    )10(6-17)12-13(18)20-8-21
    -15(12)22/h2-5,8,19H,7H2,
    1H3,(H2,18,20,21);
    BJAJDULYKUREBF-UHFFFAOYSA-N    		 Cn1c2c(c(c1NCc3ccccc3F)C#N)c(ncn2)N; Cn1
    c(NCc2ccccc2F)c(C#N)c3c(N)ncnc13    		 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile;
    4-azanyl-6-[(2-fluorophenyl)methylamino]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
    37783 TW3 51 C26 H42 N7 O17 P3 S InChI=1S/C26H42N7O17P3S/c
    1-14(2)9-17(35)54-8-7-28-
    16(34)5-6-29-24(38)21(37)
    26(3,4)11-47-53(44,45)50-
    52(42,43)46-10-15-20(49-5
    1(39,40)41)19(36)25(48-15
    )33-13-32-18-22(27)30-12-
    31-23(18)33/h9,12-13,15,1
    9-21,25,36-37H,5-8,10-11H
    2,1-4H3,(H,28,34)(H,29,38
    )(H,42,43)(H,44,45)(H2,27
    ,30,31)(H2,39,40,41)/t15-
    ,19-,20+,21-,25-/m0/s1;
    BXIPALATIYNHJN-XDPCYSMHSA-N    		 CC(=CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C
    )COP(=O)(O)OP(=O)(O)OC[C@H]1[C@H]([C@@H]
    ([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)
    C; CC(=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)C
    OP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2n
    cnc3N)O)OP(=O)(O)O)O)C; CC(C)=CC(=O)SCCN
    C(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(=O)
    O[P](O)(=O)OC[C@@H]1O[C@@H]([C@@H](O)[C@
    @H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23; CC(C)
    =CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO
    [P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O
    )[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23    		 ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-methylbut-2-enethioate
    37784 TW5
    CHEMBL3355185
    ZINC000098209470    		 2 C33 H30 Cl F N6 O2 InChI=1S/C33H30ClFN6O2/c3
    4-23-5-7-25(8-6-23)40-15-
    17-41(18-16-40)26-9-10-28
    (29(35)20-26)32(42)39-31(
    33(43)38-24-11-13-36-14-1
    2-24)19-22-21-37-30-4-2-1
    -3-27(22)30/h1-14,20-21,3
    1,37H,15-19H2,(H,39,42)(H
    ,36,38,43)/t31-/m1/s1;
    JVZAEFLHUYIXPY-WJOKGBTCSA-N    		 Fc1cc(ccc1C(=O)N[CH](Cc2c[nH]c3ccccc23)C
    (=O)Nc4ccncc4)N5CCN(CC5)c6ccc(Cl)cc6; Fc
    1cc(ccc1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(
    =O)Nc4ccncc4)N5CCN(CC5)c6ccc(Cl)cc6; O=C
    (Nc1ccncc1)C(NC(=O)c2c(F)cc(cc2)N4CCN(c3
    ccc(Cl)cc3)CC4)Cc6c5ccccc5nc6; c1ccc2c(c
    1)c(c[nH]2)CC(C(=O)Nc3ccncc3)NC(=O)c4ccc
    (cc4F)N5CCN(CC5)c6ccc(cc6)Cl; c1ccc2c(c1
    )c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4
    ccc(cc4F)N5CCN(CC5)c6ccc(cc6)Cl    		 (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide
    37785 TW6 4 C27 H28 N2 O3 InChI=1S/C27H28N2O3/c1-28
    -15-16-32-23-10-7-19(8-11
    -23)25-24-12-9-22(30)17-2
    1(24)18-27(13-14-27)29(25
    )26(31)20-5-3-2-4-6-20/h2
    -12,17,25,28,30H,13-16,18
    H2,1H3/t25-/m1/s1;
    KHXUKSQBIZHFOJ-RUZDIDTESA-N    		 CNCCOc1ccc(cc1)C2c3ccc(cc3CC4(N2C(=O)c5c
    cccc5)CC4)O; CNCCOc1ccc(cc1)C1c2ccc(O)cc
    2CC2(CC2)N1C(=O)c1ccccc1; CNCCOc1ccc(cc1
    )[C@@H]2c3ccc(cc3CC4(N2C(=O)c5ccccc5)CC4
    )O; CNCCOc1ccc(cc1)[CH]2N(C(=O)c3ccccc3)
    C4(CC4)Cc5cc(O)ccc25; CNCCOc1ccc(cc1)[C@
    H]2N(C(=O)c3ccccc3)C4(CC4)Cc5cc(O)ccc25    		 [(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
    37786 TW7 2 C6 H9 F3 O4 InChI=1S/C6H9F3O4/c7-5-6(
    8,9)4(12)3(11)2(1-10)13-5
    /h2-5,10-12H,1H2/t2-,3-,4
    +,5+/m1/s1;
    RMSFNMADPLSBKL-MBMOQRBOSA-N    		 C([C@@H]1[C@H]([C@@H](C([C@H](O1)F)(F)F)
    O)O)O; C1(F)C(F)(F)C(C(O)C(O1)CO)O; OC[C
    H]1O[CH](F)C(F)(F)[CH](O)[CH]1O; C(C1C(C
    (C(C(O1)F)(F)F)O)O)O; OC[C@H]1O[C@H](F)C
    (F)(F)[C@@H](O)[C@@H]1O    		 2-deoxy-2,2-difluoro-alpha-D-arabino-hexopyranosyl fluoride
    37787 TW8 1 C15 H14 N2 O3 S InChI=1S/C15H14N2O3S/c18-
    11-12-5-7-13(8-6-12)21(19
    ,20)17-10-9-16-14-3-1-2-4
    -15(14)17/h1-8,11,16H,9-1
    0H2;
    GOMXOBFYQBMFTF-UHFFFAOYSA-N    		 c1ccc2c(c1)NCCN2S(=O)(=O)c3ccc(cc3)C=O;
    O=Cc1ccc(cc1)[S](=O)(=O)N2CCNc3ccccc23    		 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde
    37788 TWA 1 C6 H12 O15 S3 InChI=1S/C6H12O15S3/c7-1-
    2-3(19-22(9,10)11)4(20-23
    (12,13)14)5(6(8)18-2)21-2
    4(15,16)17/h2-8H,1H2,(H,9
    ,10,11)(H,12,13,14)(H,15,
    16,17)/t2-,3-,4-,5+,6-/m1
    /s1;
    YDWSJQFKWHSLLK-DGPNFKTASA-N    		 C(C1OC(C(OS(O)(=O)=O)C(C1OS(O)(=O)=O)OS(
    =O)(=O)O)O)O; OC[CH]1O[CH](O)[CH](O[S](O
    )(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(
    =O)=O; C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=
    O)(=O)O)OS(=O)(=O)O)O; C([C@@H]1[C@H]([C
    @H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)OS(=O
    )(=O)O)OS(=O)(=O)O)O; OC[C@H]1O[C@@H](O)
    [C@@H](O[S](O)(=O)=O)[C@H](O[S](O)(=O)=O
    )[C@@H]1O[S](O)(=O)=O    		 2,3,4-tri-O-sulfo-beta-D-altropyranose
    37789 TWB
    CHEMBL4560587
    ZINC000020762991    		 3 C12 H13 O5 P InChI=1S/C12H13O5P/c1-7-3
    -10-9(6-18(14,15)16)5-12(
    13)17-11(10)4-8(7)2/h3-5H
    ,6H2,1-2H3,(H2,14,15,16);
    XVHQGEOFAUWESF-UHFFFAOYSA-N    		 Cc1cc2OC(=O)C=C(C[P](O)(O)=O)c2cc1C; Cc1
    c(cc2c(c1)OC(C=C2CP(O)(O)=O)=O)C; Cc1cc2
    c(cc1C)OC(=O)C=C2CP(=O)(O)O    		 [(6,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
    37790 TWC
    ZINC000034477532    		 1 C6 H7 F3 N2 O InChI=1S/C6H7F3N2O/c1-2-1
    1-5(12)3-4(10-11)6(7,8)9/
    h2-3H2,1H3;
    NESMTDYSHSBSJX-UHFFFAOYSA-N    		 CCN1N=C(CC1=O)C(F)(F)F; CCN1C(=O)CC(=N1)
    C(F)(F)F; FC(F)(F)C=1CC(=O)N(CC)N=1    		 2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
    37791 TWD 1 C6 H12 O12 S2 InChI=1S/C6H12O12S2/c7-1-
    2-3(8)4(17-19(10,11)12)5(
    6(9)16-2)18-20(13,14)15/h
    2-9H,1H2,(H,10,11,12)(H,1
    3,14,15)/t2-,3-,4+,5-,6+/
    m0/s1;
    ORUZACWROKWTRH-MDMQIMBFSA-N    		 OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O
    [S](O)(=O)=O)[CH]1O; C(C1C(C(C(C(O1)O)OS
    (=O)(=O)O)OS(=O)(=O)O)O)O; C(C1C(C(C(C(O
    1)O)OS(O)(=O)=O)OS(=O)(O)=O)O)O; C([C@H]
    1[C@@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(
    =O)O)OS(=O)(=O)O)O)O; OC[C@@H]1O[C@@H](O
    )[C@@H](O[S](O)(=O)=O)[C@H](O[S](O)(=O)=
    O)[C@H]1O    		 2,3-di-O-sulfo-alpha-L-glucopyranose
    37792 TWE 1 C14 H14 N2 O2 InChI=1S/C14H14N2O2/c15-9
    -11-5-7-16(8-6-11)14(18)1
    3-3-1-12(10-17)2-4-13/h1-
    4,10-11H,5-8H2;
    JTXBUBGZUJFNLQ-UHFFFAOYSA-N    		 O=Cc1ccc(cc1)C(=O)N2CCC(CC2)C#N; c1cc(cc
    c1C=O)C(=O)N2CCC(CC2)C#N    		 1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile
    37793 TWF 6 C28 H30 N2 O3 InChI=1S/C28H30N2O3/c1-2-
    29-16-17-33-24-11-8-20(9-
    12-24)26-25-13-10-23(31)1
    8-22(25)19-28(14-15-28)30
    (26)27(32)21-6-4-3-5-7-21
    /h3-13,18,26,29,31H,2,14-
    17,19H2,1H3/t26-/m1/s1;
    MSGSRDMXJDRAEG-AREMUKBSSA-N    		 CCNCCOc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C
    (=O)c1ccccc1; CCNCCOc1ccc(cc1)C2c3ccc(cc
    3CC4(N2C(=O)c5ccccc5)CC4)O; CCNCCOc1ccc(
    cc1)[C@@H]2c3ccc(cc3CC4(N2C(=O)c5ccccc5)
    CC4)O; CCNCCOc1ccc(cc1)[C@H]2N(C(=O)c3cc
    ccc3)C4(CC4)Cc5cc(O)ccc25; CCNCCOc1ccc(c
    c1)[CH]2N(C(=O)c3ccccc3)C4(CC4)Cc5cc(O)c
    cc25    		 [(1'R)-1'-{4-[2-(ethylamino)ethoxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
    37794 TWG 0 C6 H12 O5 S InChI=1S/C6H12O5S/c7-3-2(
    1-12)11-6(10)5(9)4(3)8/h2
    -10,12H,1H2/t2-,3-,4+,5+,
    6+/m1/s1;
    OMLRWUJGVBOYQP-PQMKYFCFSA-N    		 C(C1C(C(C(C(O1)O)O)O)O)S; O[C@H]1O[C@H](
    CS)[C@@H](O)[C@H](O)[C@@H]1O; O[CH]1O[CH
    ](CS)[CH](O)[CH](O)[CH]1O; C1(OC(C(C(C1O
    )O)O)CS)O; C([C@@H]1[C@H]([C@@H]([C@@H](
    [C@H](O1)O)O)O)O)S    		 6-thio-alpha-D-mannopyranose
    37795 TWH
    CHEMBL5086513    		 1 C13 H16 N6 InChI=1S/C13H16N6/c1-8-4-
    3-5-19(8)13-9(6-14)10-11(
    15)16-7-17-12(10)18(13)2/
    h7-8H,3-5H2,1-2H3,(H2,15,
    16,17)/t8-/m1/s1;
    DCOXMFDDEKIJAR-MRVPVSSYSA-N    		 C[C@@H]1CCCN1c2c(c3c(ncnc3n2C)N)C#N; C[C
    @@H]1CCCN1c2n(C)c3ncnc(N)c3c2C#N; CC1CCC
    N1c2c(c3c(ncnc3n2C)N)C#N; C[CH]1CCCN1c2n
    (C)c3ncnc(N)c3c2C#N    		 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile;
    4-azanyl-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
    37796 TWI 1 C21 H18 Cl F3 N4 O2 InChI=1S/C21H18ClF3N4O2/c
    1-29-14-5-4-11(27-13-6-7-
    26-19(23)15(13)22)8-12(14
    )16-17(20(29)30)31-9-21(2
    4,25)18(28-16)10-2-3-10/h
    4-8,10,18,28H,2-3,9H2,1H3
    ,(H,26,27)/t18-/m0/s1;
    MCRHRRIGPAVFNY-SFHVURJKSA-N    		 CN1c2ccc(cc2C3=C(C1=O)OCC([C@@H](N3)C4CC
    4)(F)F)Nc5ccnc(c5Cl)F; CN1c2ccc(cc2C3=C(
    C1=O)OCC(C(N3)C4CC4)(F)F)Nc5ccnc(c5Cl)F;
    CN1C(=O)C2=C(N[CH](C3CC3)C(F)(F)CO2)c4c
    c(Nc5ccnc(F)c5Cl)ccc14; CN1C(=O)C2=C(N[C
    @@H](C3CC3)C(F)(F)CO2)c4cc(Nc5ccnc(F)c5C
    l)ccc14    		 (2~{S})-10-[(3-chloranyl-2-fluoranyl-pyridin-4-yl)amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one
    37797 TWJ 0 C6 H12 O5 S InChI=1S/C6H12O5S/c7-1-2-
    3(8)4(9)5(10)6(12)11-2/h2
    -10,12H,1H2/t2-,3+,4+,5+,
    6+/m1/s1;
    JUSMHIGDXPKSID-URLGYRAOSA-N    		 SC1OC(CO)C(C(O)C1O)O; OC[C@H]1O[C@@H](S)
    [C@@H](O)[C@@H](O)[C@H]1O; C(C1C(C(C(C(O
    1)S)O)O)O)O; C([C@@H]1[C@@H]([C@@H]([C@@
    H]([C@@H](O1)S)O)O)O)O; OC[CH]1O[CH](S)[
    CH](O)[CH](O)[CH]1O    		 1-thio-beta-D-talopyranose
    37798 TWK
    CHEMBL5093192    		 1 C14 H9 F2 N5 InChI=1S/C14H9F2N5/c1-21-
    12(7-3-2-4-9(15)11(7)16)8
    (5-17)10-13(18)19-6-20-14
    (10)21/h2-4,6H,1H3,(H2,18
    ,19,20);
    BGLHMMMVKDNVCA-UHFFFAOYSA-N    		 Cn1c2ncnc(N)c2c(C#N)c1c3cccc(F)c3F; Cn1c
    (c(c2c1ncnc2N)C#N)c3cccc(c3F)F    		 4-amino-6-(2,3-difluorophenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile;
    4-azanyl-6-[2,3-bis(fluoranyl)phenyl]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
    37799 TWL
    ZINC000075945080    		 1 C10 H14 N2 O2 InChI=1S/C10H14N2O2/c1-2-
    14-10(13)7-3-4-9-8(5-7)6-
    11-12-9/h6-7H,2-5H2,1H3,(
    H,11,12)/t7-/m1/s1;
    OYSSLPZFSXHQEY-SSDOTTSWSA-N    		 CCOC(=O)[CH]1CCc2[nH]ncc2C1; CCOC(=O)C1C
    Cc2c(cn[nH]2)C1; CCOC(=O)[C@@H]1CCc2c(cn
    [nH]2)C1; CCOC(=O)[C@@H]1CCc2[nH]ncc2C1    		 ETHYL (5R)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLATE
    37800 TWM
    CHEMBL4066920    		 1 C19 H21 N3 O2 InChI=1S/C19H21N3O2/c1-21
    (2)12-16-13-22(18-6-4-3-5
    -17(16)18)11-14-7-9-15(10
    -8-14)19(23)20-24/h3-10,1
    3,24H,11-12H2,1-2H3,(H,20
    ,23);
    LYCCCRFBRDLGGA-UHFFFAOYSA-N    		 CN(C)Cc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13;
    c2n(c1ccccc1c2CN(C)C)Cc3ccc(C(NO)=O)cc3
    ; CN(C)Cc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)N
    O    		 4-({3-[(dimethylamino)methyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide
    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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