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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    45401
    ZR4
    CHEMBL4441584    		 3 C17 H16 Cl F N4 O4 InChI=1S/C17H16ClFN4O4/c1
    8-9-2-1-7(5-10(9)19)11(24
    )14-12(25)13(26)17(27-14)
    23-4-3-8-15(20)21-6-22-16
    (8)23/h1-6,11-14,17,24-26
    H,(H2,20,21,22)/t11-,12+,
    13-,14-,17-/m1/s1;
    GTCYWLXMJRCJNE-QFRSUPTLSA-N    		 Nc1ncnc2n(ccc12)[CH]3O[CH]([CH](O)[CH]3O
    )[CH](O)c4ccc(Cl)c(F)c4; Clc1ccc(cc1F)C(
    O)C1OC(n2ccc3c(N)ncnc32)C(O)C1O; c1cc(c(
    cc1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3
    ccc4c3ncnc4N)O)O)O)F)Cl; c1cc(c(cc1C(C2C
    (C(C(O2)n3ccc4c3ncnc4N)O)O)O)F)Cl; Nc1nc
    nc2n(ccc12)[C@@H]3O[C@@H]([C@@H](O)[C@H]
    3O)[C@H](O)c4ccc(Cl)c(F)c4    		 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
    45402
    ZR5
    CHEMBL3113165
    DB18307
    ZINC000103266485    		 6 C21 H19 N3 O4 S2 InChI=1S/C21H19N3O4S2/c1-
    28-18-7-4-5-14(20(18)25)1
    3-22-15-9-11-16(12-10-15)
    30(26,27)24-21-23-17-6-2-
    3-8-19(17)29-21/h2-12,22,
    25H,13H2,1H3,(H,23,24);
    OWHBVKBNNRYMIN-UHFFFAOYSA-N    		 COc1cccc(c1O)CNc2ccc(cc2)S(=O)(=O)Nc3nc4
    ccccc4s3; COc1cccc(CNc2ccc(cc2)S(=O)(=O)
    Nc2nc3ccccc3s2)c1O; COc1cccc(CNc2ccc(cc2
    )[S](=O)(=O)Nc3sc4ccccc4n3)c1O    		 N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzene-1-sulfonamide
    45403
    ZR6    		 9 C11 H12 N2 O3 InChI=1S/C11H12N2O3/c1-7-
    8(10(14)15)3-2-4-9(7)13-6
    -5-12-11(13)16/h2-4H,5-6H
    2,1H3,(H,12,16)(H,14,15);
    LBXZUEMSUVQWIJ-UHFFFAOYSA-N    		 Cc1c(cccc1C(O)=O)N2CCNC2=O; O=C(O)c1cccc
    (c1C)N1CCNC1=O; Cc1c(cccc1N2CCNC2=O)C(=O
    )O    		 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid
    45404
    ZR7
    CHEMBL4452566    		 2 C22 H20 F2 N8 O2 S InChI=1S/C22H20F2N8O2S/c1
    -34-18-8-26-17(7-27-18)19
    (33)30-14-2-3-16(24)15(4-
    14)22-11-32(21-28-5-13(23
    )6-29-21)9-12(22)10-35-20
    (25)31-22/h2-8,12H,9-11H2
    ,1H3,(H2,25,31)(H,30,33)/
    t12-,22-/m0/s1;
    VQSRKMNBWMHJKY-YTEVENLXSA-N    		 COc1cnc(cn1)C(=O)Nc2ccc(c(c2)C34CN(CC3CS
    C(=N4)N)c5ncc(cn5)F)F; COc1cnc(cn1)C(=O)
    Nc2ccc(F)c(c2)[C]34CN(C[CH]3CSC(=N4)N)c5
    ncc(F)cn5; COc1ncc(nc1)C(=O)Nc1cc(c(F)cc
    1)C12N=C(N)SCC2CN(C1)c1ncc(F)cn1; COc1cn
    c(cn1)C(=O)Nc2ccc(c(c2)[C@]34CN(C[C@H]3C
    SC(=N4)N)c5ncc(cn5)F)F; COc1cnc(cn1)C(=O
    )Nc2ccc(F)c(c2)[C@]34CN(C[C@H]3CSC(=N4)N
    )c5ncc(F)cn5    		 N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide
    45405
    ZR9    		 6 C9 H6 N2 O4 InChI=1S/C9H6N2O4/c12-7-5
    -3-4(8(13)14)1-2-6(5)10-9
    (15)11-7/h1-3H,(H,13,14)(
    H2,10,11,12,15);
    FDJXVHKCNJIHTB-UHFFFAOYSA-N    		 OC(=O)c1ccc2NC(=O)NC(=O)c2c1; c1cc2c(cc1
    C(=O)O)C(=O)NC(=O)N2; O=C(O)c1ccc2NC(=O)
    NC(=O)c2c1    		 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid
    45406
    ZRA
    DB03536
    ZINC000098209677    		 1 C18 H28 F N5 O4 InChI=1S/C18H28FN5O4/c1-1
    2(15(25)10-19)23-16(26)14
    (8-5-9-22-17(20)21)24-18(
    27)28-11-13-6-3-2-4-7-13/
    h2-4,6-7,12,14,17,22H,5,8
    -11,20-21H2,1H3,(H,23,26)
    (H,24,27)/t12-,14-/m0/s1;
    FAAPWXRBXXSQNJ-JSGCOSHPSA-N    		 CC(C(=O)CF)NC(=O)[C@H](CCCNC(N)N)NC(=O)O
    Cc1ccccc1; C[C@H](NC(=O)[C@H](CCCNC(N)N)
    NC(=O)OCc1ccccc1)C(=O)CF; FCC(=O)C(NC(=O
    )C(NC(=O)OCc1ccccc1)CCCNC(N)N)C; C[CH](N
    C(=O)[CH](CCCNC(N)N)NC(=O)OCc1ccccc1)C(=
    O)CF; CC(C(=O)CF)NC(=O)C(CCCNC(N)N)NC(=O
    )OCc1ccccc1    		 BENZOYL-ARGININE-ALANINE-FLUORO-METHYL KETONE;
    benzyl [(2S)-5-[(diaminomethyl)amino]-1-{[(2S)-4-fluoro-3-oxobutan-2-yl]amino}-1-oxopentan-2-yl]carbamate
    45407
    ZRC    		 9 O17 P Zr3 InChI=1S/H3O4P.13O.3Zr/c1
    -5(2,3)4;;;;;;;;;;;;;;;;/
    h(H3,1,2,3,4);;;;;;;;;;;;
    ;;;;/q;;;;9*-1;4*+1/p-3;
    WBTZCCQRTTWINH-UHFFFAOYSA-K    		 [O-][Zr]123([O-])([O-])O[P]4(=O)O[Zr]5([
    O-])([O-])([O-])(O1)O[Zr]([O-])([O-])([O
    -])(O4)(O2)[O+]35; [O-][Zr]123(OP4(=O)O[
    Zr]5(O1)([O+]2[Zr](O4)(O3)(O5)([O-])([O-
    ])[O-])([O-])([O-])[O-])([O-])[O-]    		 OXO ZIRCONIUM(IV) CLUSTER
    45408
    ZRD
    CHEMBL3704998
    ZINC000169703444    		 2 C13 H13 F N6 S2 InChI=1S/C13H13FN6S2/c14-
    9-3-16-12(17-4-9)20-5-8-6
    -21-11(15)19-13(8,7-20)10
    -1-2-18-22-10/h1-4,8H,5-7
    H2,(H2,15,19)/t8-,13-/m0/
    s1;
    JTNSTOMSFFQQFP-SDBXPKJASA-N    		 NC1=N[C@]2(CN(C[C@H]2CS1)c3ncc(F)cn3)c4s
    ncc4; c1cnsc1[C@]23CN(C[C@H]2CSC(=N3)N)c
    4ncc(cn4)F; NC1=N[C]2(CN(C[CH]2CS1)c3ncc
    (F)cn3)c4sncc4; c1cnsc1C23CN(CC2CSC(=N3)
    N)c4ncc(cn4)F; Fc1cnc(nc1)N1CC2(N=C(N)SC
    C2C1)c1ccns1    		 (4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
    45409
    ZRE    		 4 C10 H8 F N O3 InChI=1S/C10H8FNO3/c11-7-
    4-8-5(1-2-9(13)12-8)3-6(7
    )10(14)15/h3-4H,1-2H2,(H,
    12,13)(H,14,15);
    SAJMBBKTNYDWGD-UHFFFAOYSA-N    		 OC(=O)c1cc2CCC(=O)Nc2cc1F; O=C(O)c1cc2CC
    C(=O)Nc2cc1F; c1c2c(cc(c1C(=O)O)F)NC(=O)
    CC2    		 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
    45410
    ZRF    		 0 C8 H11 N3 O4 InChI=1S/C8H11N3O4/c1-4(9
    )7-10-5(3-12)8(15)11(7)2-
    6(13)14/h3-4,12H,2,9H2,1H
    3,(H,13,14)/b5-3+/t4-/m0/
    s1;
    FVXPLHKMTPOASN-MXFQXMHVSA-N    		 C[C@H](N)C1=N\C(=C\O)C(=O)N1CC(O)=O; C[C
    H](N)C1=NC(=CO)C(=O)N1CC(O)=O; CC(C1=N/C
    (=C/O)/C(=O)N1CC(=O)O)N; CC(C1=NC(=CO)C(
    =O)N1CC(=O)O)N    		 2-[(4E)-2-[(1S)-1-aminoethyl]-4-(hydroxymethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid;
    2-[(4~{E})-2-(1-azanylethyl)-5-oxidanylidene-4-(oxidanylmethylidene)imidazol-1-yl]ethanoic acid
    45411
    ZRG
    ZINC000024974824    		 2 C11 H22 N6 O3 InChI=1S/C11H22N6O3/c1-7(
    18)16-8(9(19)13-2)5-4-6-1
    5-10(12)17-11(20)14-3/h8H
    ,4-6H2,1-3H3,(H,13,19)(H,
    16,18)(H4,12,14,15,17,20)
    /t8-/m0/s1;
    IHUKVJKKTBLTEE-QMMMGPOBSA-N    		 [H]/N=C(/NCCC[C@@H](C(=O)NC)NC(=O)C)\NC(
    =O)NC; CC(=O)NC(CCCNC(=N)NC(=O)NC)C(=O)N
    C; O=C(NC)C(NC(=O)C)CCCNC(=[N@H])NC(=O)N
    C; CNC(=O)NC(=N)NCCC[CH](NC(C)=O)C(=O)NC
    ; CNC(=O)NC(=N)NCCC[C@H](NC(C)=O)C(=O)NC    		 (2S)-2-acetamido-N-methyl-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentanamide
    45412
    ZRH    		 1 C17 H16 F N3 O2 InChI=1S/C17H16FN3O2/c1-1
    1(10-23-13-5-3-2-4-6-13)1
    7(22)21-15-9-12(18)7-8-14
    (15)16(19)20-21/h2-9,11H,
    10H2,1H3,(H2,19,20)/t11-/
    m0/s1;
    UFEKXWZXPIHHKC-NSHDSACASA-N    		 C[C@@H](COc1ccccc1)C(=O)n2c3cc(ccc3c(n2)
    N)F; C[CH](COc1ccccc1)C(=O)n2nc(N)c3ccc(
    F)cc23; CC(COc1ccccc1)C(=O)n1nc(N)c2ccc(
    F)cc21; CC(COc1ccccc1)C(=O)n2c3cc(ccc3c(
    n2)N)F; C[C@@H](COc1ccccc1)C(=O)n2nc(N)c
    3ccc(F)cc23    		 (2S)-1-(3-amino-6-fluoro-1H-indazol-1-yl)-2-methyl-3-phenoxypropan-1-one
    45413
    ZRI    		 2 C9 H9 N O2 InChI=1S/C9H9NO2/c11-9(12
    )7-5-6(7)8-3-1-2-4-10-8/h
    1-4,6-7H,5H2,(H,11,12)/t6
    -,7-/m0/s1;
    ZFZMEVZZAIRAHE-BQBZGAKWSA-N    		 OC(=O)[CH]1C[CH]1c2ccccn2; OC(=O)[C@H]1C
    [C@@H]1c2ccccn2; c1ccnc(c1)[C@H]2C[C@@H]
    2C(=O)O; O=C(O)C1CC1c1ccccn1; c1ccnc(c1)
    C2CC2C(=O)O    		 (1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid
    45414
    ZRJ    		 0 C14 H21 N O4 InChI=1S/C14H21NO4/c1-14(
    2,3)19-13(16)12(15)9-6-10
    (17-4)8-11(7-9)18-5/h6-8,
    12H,15H2,1-5H3/t12-/m0/s1;
    AWJOCNUVOGUIHD-LBPRGKRZSA-N    		 COc1cc(OC)cc(c1)[C@H](N)C(=O)OC(C)(C)C;
    CC(C)(C)OC(=O)C(c1cc(cc(c1)OC)OC)N; COc1
    cc(OC)cc(c1)[CH](N)C(=O)OC(C)(C)C    		 tert-butyl (2S)-2-amino-2-(3,5-dimethoxyphenyl)acetate;
    ~{tert}-butyl 2-azanyl-2-(3,5-dimethoxyphenyl)ethanoate
    45415
    ZRK
    CHEMBL1738951
    ZINC000066157014    		 2 C12 H8 N2 O2 InChI=1S/C12H8N2O2/c15-12
    -9-7-11(8-1-4-13-5-2-8)16
    -10(9)3-6-14-12/h1-7H,(H,
    14,15);
    NLYCKXUGHPVKMO-UHFFFAOYSA-N    		 O=C2NC=Cc1oc(cc12)c3ccncc3; O=C1NC=Cc2oc
    (cc12)c3ccncc3; c1cnccc1c2cc3c(o2)C=CNC3
    =O    		 2-(4-PYRIDINYL)FURO[3,2-C]PYRIDIN-4(5H)-ONE
    45416
    ZRL
    CHEMBL1738952
    ZINC000066157016    		 2 C12 H7 Br N2 O S InChI=1S/C12H7BrN2OS/c13-
    9-6-15-12(16)8-5-10(17-11
    (8)9)7-1-3-14-4-2-7/h1-6H
    ,(H,15,16);
    YFBJHINTWOTPAK-UHFFFAOYSA-N    		 BrC1=CNC(=O)c2cc(sc12)c3ccncc3; c1cnccc1
    c2cc3c(s2)C(=CNC3=O)Br    		 7-BROMO-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE
    45417
    ZRM
    CHEMBL1738953
    ZINC000066157017    		 2 C18 H12 N2 O2 S InChI=1S/C18H12N2O2S/c21-
    13-3-1-11(2-4-13)15-10-20
    -18(22)14-9-16(23-17(14)1
    5)12-5-7-19-8-6-12/h1-10,
    21H,(H,20,22);
    CCZJKJIDVXAPAV-UHFFFAOYSA-N    		 O=C2c1cc(sc1C(=CN2)c3ccc(O)cc3)c4ccncc4;
    Oc1ccc(cc1)C2=CNC(=O)c3cc(sc23)c4ccncc4
    ; c1cc(ccc1C2=CNC(=O)c3c2sc(c3)c4ccncc4)
    O    		 7-(4-HYDROXYPHENYL)-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE
    45418
    ZRO
    CHEMBL3991294
    ZINC000095920757    		 2 C14 H11 F3 N2 O4 InChI=1S/C14H11F3N2O4/c15
    -14(16,17)8-4-1-7(2-5-8)3
    -6-9-10(12(21)22)18-13(23
    )19-11(9)20/h1-2,4-5H,3,6
    H2,(H,21,22)(H2,18,19,20,
    23);
    DDORHAWNAXTQBY-UHFFFAOYSA-N    		 c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)C(F)(
    F)F; OC(=O)C1=C(CCc2ccc(cc2)C(F)(F)F)C(=
    O)NC(=O)N1; O=C1NC(C(=O)O)=C(C(=O)N1)CCc
    2ccc(cc2)C(F)(F)F    		 2,6-dioxo-5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
    45419
    ZRP    		 1 C23 H28 N4 O InChI=1S/C23H28N4O/c1-3-4
    -5-9-14-25-18-12-13-21-19
    (15-18)22(20(16-26-21)23(
    28)24-2)27-17-10-7-6-8-11
    -17/h6-8,10-13,15-16,25H,
    3-5,9,14H2,1-2H3,(H,24,28
    )(H,26,27);
    VPTGXKPVJHDKIV-UHFFFAOYSA-N    		 CCCCCCNc1ccc2ncc(C(=O)NC)c(Nc3ccccc3)c2c
    1; CCCCCCNc1ccc2c(c1)c(c(cn2)C(=O)NC)Nc3
    ccccc3; CNC(=O)c1cnc2ccc(cc2c1Nc1ccccc1)
    NCCCCCC    		 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide
    45420
    ZRR
    CHEMBL4541595    		 2 C22 H28 N10 O InChI=1S/C22H28N10O/c1-14
    (2)32-28-21(27-29-32)16-9
    -18(11-19(33)10-16)26-22-
    20-15(3-8-31(20)25-13-24-
    22)12-30-6-4-17(23)5-7-30
    /h3,8-11,13-14,17,33H,4-7
    ,12,23H2,1-2H3,(H,24,25,2
    6);
    CNACSDYVLFCDEW-UHFFFAOYSA-N    		 CC(C)n1nc(nn1)c2cc(cc(c2)O)Nc3c4c(ccn4nc
    n3)CN5CCC(CC5)N; CC(C)n1nnc(n1)c2cc(O)cc
    (Nc3ncnn4ccc(CN5CCC(N)CC5)c34)c2; CC(C)n
    1nc(nn1)c1cc(O)cc(Nc2ncnn3ccc(CN4CCC(N)C
    C4)c32)c1    		 (5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol
    45421
    ZRS
    ZINC000000158898    		 1 C9 H7 N3 O2 InChI=1S/C9H7N3O2/c13-9(1
    4)7-1-3-8(4-2-7)12-6-10-5
    -11-12/h1-6H,(H,13,14);
    FOMQQGKCPYKKHQ-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)O)n2cncn2; OC(=O)c1ccc(cc1
    )n2cncn2; O=C(O)c1ccc(cc1)n1cncn1    		 4-(1H-1,2,4-triazol-1-yl)benzoic acid
    45422
    ZRT    		 3 C30 H36 N8 O3 InChI=1S/C30H36N8O3/c1-5-
    28(39)32-23-17-24(26(40-4
    )18-25(23)37-13-15-41-16-
    14-37)33-30-31-12-11-27(3
    4-30)38-20-22(19-36(2)3)2
    9(35-38)21-9-7-6-8-10-21/
    h6-12,17-18,20H,5,13-16,1
    9H2,1-4H3,(H,32,39)(H,31,
    33,34);
    JCMFJBUWEYTTAQ-UHFFFAOYSA-N    		 CCC(=O)Nc1cc(c(cc1N2CCOCC2)OC)Nc3nccc(n3
    )n4cc(c(n4)c5ccccc5)CN(C)C; CN(C)Cc1cn(n
    c1c1ccccc1)c1nc(ncc1)Nc1cc(NC(=O)CC)c(cc
    1OC)N1CCOCC1; CCC(=O)Nc1cc(Nc2nccc(n2)n3
    cc(CN(C)C)c(n3)c4ccccc4)c(OC)cc1N5CCOCC5    		 N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide;
    lazertinib, bound form
    45423
    ZRU    		 3 C17 H19 N7 O2 InChI=1S/C17H19N7O2/c1-18
    -14-8-13(22-12-4-3-7-19-1
    7(12)26-2)23-15-11(9-20-2
    4(14)15)16(25)21-10-5-6-1
    0/h3-4,7-10,18H,5-6H2,1-2
    H3,(H,21,25)(H,22,23);
    HANGACPWNQHVPZ-UHFFFAOYSA-N    		 CNc1cc(Nc2cccnc2OC)nc3n1ncc3C(=O)NC4CC4;
    COc1ncccc1Nc1cc(NC)n2ncc(c2n1)C(=O)NC1C
    C1; CNc1cc(nc2n1ncc2C(=O)NC3CC3)Nc4cccnc
    4OC    		 (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
    45424
    ZRV    		 2 C30 H28 F2 N4 O2 InChI=1S/C30H28F2N4O2/c1-
    2-3-13-33-29(37)21-12-9-1
    8(14-25(21)31)22-15-23-27
    (16-26(22)32)34-17-24(30(
    38)36-20-10-11-20)28(23)3
    5-19-7-5-4-6-8-19/h4-9,12
    ,14-17,20H,2-3,10-11,13H2
    ,1H3,(H,33,37)(H,34,35)(H
    ,36,38);
    DBDGLOMDGKMHIN-UHFFFAOYSA-N    		 CCCCNC(=O)c1ccc(cc1F)c2cc3c(cc2F)ncc(C(=
    O)NC4CC4)c3Nc5ccccc5; CCCCNC(=O)c1ccc(cc
    1F)c2cc3c(cc2F)ncc(c3Nc4ccccc4)C(=O)NC5C
    C5; CCCCNC(=O)c1ccc(cc1F)c1cc2c(Nc3ccccc
    3)c(cnc2cc1F)C(=O)NC1CC1    		 4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide
    45425
    ZRW    		 3 H2 O61 P2 W17 Zr InChI=1S/2HO4P.H2O.52O.17
    W.Zr/c2*1-5(2,3)4;;;;;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;/h2*5H;1H2;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;;;/q;;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;+1;/p-1;
    LRQWFSUELMUBNO-UHFFFAOYSA-M    		 O.O=[W]123O[Zr]45O[W]67(O[PH]89O[W]%10%1
    1(=O)(O4)O[W]%12(=O)(O5)O[W]%13%14(=O)O[
    W]%15%16(=O)(O[PH]%17%18O[W]%19%20%21(=O
    )O[W]%22(=O)(O1)O[W]%23(=O)(O8)(O6)O[W](
    =O)(O7)(O[W]%24(=O)(O[W](=O)(O%23)(O%19)
    O[W]%25%26(=O)(O%24)O[W]%27(=O)(O%13)(O%
    15)O[W](=O)(O%20)(O[W](=O)(O%17)(O%14)(O
    [W](=O)(O9)(O2)(O%12)O%22)O%21)(O%25)[O]
    %18%26%27)O%16)O%10)O%11)O3; O=[W]1234O[
    Zr]56O[W]78(=O)(O1)O[W]91%10(=O)O[W]%11%
    12(=O)(O2)O[W]2%13%14(=O)O%11P%11%15O9[W
    ]9%16(=O)(O1)O[W]1%17(=O)(O7)O8P78O3[W]3
    (=O)(O4)(O2)O[W]24(=O)(O5)O7[W](O6)(O2)(
    O1)(O[W]12(=O)(O%17)O8[W](=O)(O4)(O3)(O1
    )O[W]13(=O)(O%13)O%11[W](=O)(O1)(O9)(O2)
    O[W]12(=O)(O%16)O%154[W](=O)(O%12)(O%10)
    (O1)O[W]4(=O)(O%14)(O3)O2)[O]    		 W-Zr-cluster
    45426
    ZRY
    ZINC000070503730    		 1 C14 H12 N4 InChI=1S/C14H12N4/c15-13-
    11-8-4-5-9-12(11)14(16-13
    )18-17-10-6-2-1-3-7-10/h1
    -9,17H,(H2,15,16,18);
    XBVFGEHZRVLBOS-UHFFFAOYSA-N    		 NC1=NC(=N/Nc2ccccc2)\c3ccccc13; NC1=NC(=
    NNc2ccccc2)c3ccccc13; NC1=N/C(=N\Nc2cccc
    c2)c2ccccc12; c1ccc(cc1)NN=C2c3ccccc3C(=
    N2)N; c1ccc(cc1)N/N=C\2/c3ccccc3C(=N2)N    		 (1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine
    45427
    ZRZ    		 9 C16 H19 N O4 InChI=1S/C16H19NO4/c18-14
    (12-4-3-5-13(10-12)15(19)
    20)17-8-9-21-16(11-17)6-1
    -2-7-16/h3-5,10H,1-2,6-9,
    11H2,(H,19,20);
    WRSNGBAODXMMQK-UHFFFAOYSA-N    		 OC(=O)c1cccc(c1)C(=O)N2CCOC3(CCCC3)C2; c
    1cc(cc(c1)C(=O)O)C(=O)N2CCOC3(C2)CCCC3;
    O=C(O)c1cccc(c1)C(=O)N1CC2(CCCC2)OCC1    		 3-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)benzoic acid
    45428
    ZS0
    CHEMBL5200638
    ZINC000038681305    		 1 C12 H9 F N4 O S InChI=1S/C12H9FN4OS/c13-8
    -3-1-7(2-4-8)5-17-10-9(14
    -6-15-10)11(18)16-12(17)1
    9/h1-4,6H,5H2,(H,14,15)(H
    ,16,18,19);
    GMNQNGTVFNOHLD-UHFFFAOYSA-N    		 Fc1ccc(CN2C(=S)NC(=O)c3[nH]cnc23)cc1; c1
    cc(ccc1CN2c3c([nH]cn3)C(=O)NC2=S)F; Fc1c
    cc(cc1)CN3c2ncnc2C(=O)NC3=S    		 3-(4-FLUOROBENZYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE
    45429
    ZS1
    CHEMBL3185395
    ZINC000000388558    		 4 C8 H7 N3 InChI=1S/C8H7N3/c9-7-5-3-
    1-2-4-6(5)8(10)11-7/h1-4H
    ,(H3,9,10,11);
    RZVCEPSDYHAHLX-UHFFFAOYSA-N    		 NC1=NC(=N)c2ccccc12; c1ccc2c(c1)C(=NC2=N
    )N; [H]/N=C\1/c2ccccc2C(=N1)N; N=C1N=C(N
    )c2ccccc12    		 (1Z)-1-imino-1H-isoindol-3-amine
    45430
    ZS2
    ZINC000584905724    		 1 C30 H24 F N7 O3 InChI=1S/C30H24FN7O3/c1-1
    6-26(29(40)36-20-7-9-24-1
    9(12-20)14-34-38-24)27(37
    -30(41)35-16)18-6-8-23(31
    )22(13-18)28(39)33-15-25-
    21-5-3-2-4-17(21)10-11-32
    -25/h2-14,27H,15H2,1H3,(H
    ,33,39)(H,34,38)(H,36,40)
    (H2,35,37,41)/t27-/m0/s1;
    UGYAZGXSMRGKRD-MHZLTWQESA-N    		 CC1=C(C(NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c4c
    cccc4ccn3)F)C(=O)Nc5ccc6c(c5)cn[nH]6; CC
    1=C([CH](NC(=O)N1)c2ccc(F)c(c2)C(=O)NCc3
    nccc4ccccc34)C(=O)Nc5ccc6[nH]ncc6c5; CC1
    =C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c
    4ccccc4ccn3)F)C(=O)Nc5ccc6c(c5)cn[nH]6;
    CC1=C([C@@H](NC(=O)N1)c2ccc(F)c(c2)C(=O)
    NCc3nccc4ccccc34)C(=O)Nc5ccc6[nH]ncc6c5    		 (4~{S})-4-[4-fluoranyl-3-(isoquinolin-1-ylmethylcarbamoyl)phenyl]-~{N}-(1~{H}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide
    45431
    ZS3    		 3 C21 H18 F2 N8 O2 InChI=1S/C21H18F2N8O2/c1-
    24-17-9-16(29-18-11(10-26
    -31(17)18)20(32)28-15-8-1
    3(15)23)27-14-5-3-7-30(21
    (14)33)19-12(22)4-2-6-25-
    19/h2-7,9-10,13,15,24H,8H
    2,1H3,(H,27,29)(H,28,32)/
    t13-,15+/m0/s1;
    FFJRAFFUQOURPS-DZGCQCFKSA-N    		 CNc1cc(nc2n1ncc2C(=O)N[C@@H]3C[C@@H]3F)N
    C4=CC=CN(C4=O)c5c(cccn5)F; Fc1cccnc1N1C=
    CC=C(Nc2cc(NC)n3ncc(c3n2)C(=O)NC2CC2F)C1
    =O; CNc1cc(NC2=CC=CN(C2=O)c3ncccc3F)nc4n
    1ncc4C(=O)N[CH]5C[CH]5F; CNc1cc(NC2=CC=C
    N(C2=O)c3ncccc3F)nc4n1ncc4C(=O)N[C@@H]5C
    [C@@H]5F; CNc1cc(nc2n1ncc2C(=O)NC3CC3F)N
    C4=CC=CN(C4=O)c5c(cccn5)F    		 (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
    45432
    ZS4
    CHEMBL586702
    DB12904
    ZINC000001912926    		 1 C19 H21 F2 N7 O2 InChI=1S/C19H21F2N7O2/c20
    -15(21)16-22-13-3-1-2-4-1
    4(13)28(16)19-24-17(26-5-
    9-29-10-6-26)23-18(25-19)
    27-7-11-30-12-8-27/h1-4,1
    5H,5-12H2;
    HGVNLRPZOWWDKD-UHFFFAOYSA-N    		 FC(F)c1nc2ccccc2n1c3nc(nc(n3)N4CCOCC4)N5
    CCOCC5; FC(F)c2nc1ccccc1n2c3nc(nc(n3)N4C
    COCC4)N5CCOCC5; c1ccc2c(c1)nc(n2c3nc(nc(
    n3)N4CCOCC4)N5CCOCC5)C(F)F    		 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1H-benzimidazole
    45433
    ZS5    		 4 C13 H13 N O3 S InChI=1S/C13H13NO3S/c15-1
    1-6-7-13(9-4-2-1-3-5-9)14
    (11)10(8-18-13)12(16)17/h
    1-5,10H,6-8H2,(H,16,17)/t
    10-,13+/m0/s1;
    MYHDKADJYJOFCW-GXFFZTMASA-N    		 OC(=O)[CH]1CS[C]2(CCC(=O)N12)c3ccccc3; O
    C(=O)[C@@H]1CS[C@]2(CCC(=O)N12)c3ccccc3;
    c1ccc(cc1)C23CCC(=O)N2C(CS3)C(=O)O; O=C
    (O)C1CSC2(CCC(=O)N12)c1ccccc1; c1ccc(cc1
    )[C@]23CCC(=O)N2[C@@H](CS3)C(=O)O    		 (3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid
    45434
    ZS7
    ZINC000004528689    		 2 C8 H6 N2 O InChI=1S/C8H6N2O/c9-7-5-3
    -1-2-4-6(5)8(11)10-7/h1-4
    H,(H2,9,10,11);
    MMBYJYAFFGKUDC-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=NC2=O)N; NC1=NC(=O)c2ccccc
    12    		 3-amino-1H-isoindol-1-one
    45435
    ZS8
    ZINC000584905720    		 0 C11 H19 N O2 InChI=1S/C11H19NO2/c1-3-4
    -5-6-7-8-9-11(2,12)10(13)
    14/h5-9,12H2,1-2H3,(H,13,
    14)/t11-/m0/s1;
    IEDCXEQAWYUWSL-NSHDSACASA-N    		 CC#CCCCCC[C](C)(N)C(O)=O; CC#CCCCCCC(C)(
    C(=O)O)N; CC#CCCCCC[C@@](C)(C(=O)O)N; NC
    (C(=O)O)(C)CCCCCC#CC; CC#CCCCCC[C@](C)(N
    )C(O)=O    		 (2S)-2-amino-2-methyldec-8-ynoic acid
    45436
    ZS9    		 3 C15 H20 O2 InChI=1S/C15H20O2/c1-8-4-
    7-12-10(3)15(16)17-14(12)
    13-9(2)5-6-11(8)13/h10-14
    H,1-2,4-7H2,3H3/t10-,11-,
    12+,13-,14+/m0/s1;
    UJADCNYXDHHISU-PDWCTOEPSA-N    		 CC1C2CCC(=C)C3CCC(=C)C3C2OC1=O; C[CH]1[C
    H]2CCC(=C)[CH]3CCC(=C)[CH]3[CH]2OC1=O; C
    [C@H]1[C@H]2CCC(=C)[C@@H]3CCC(=C)[C@@H]3
    [C@@H]2OC1=O; C=C1CCC2C(C)C(=O)OC2C2C1CC
    C2=C    		 dehydrocostus lactone, bound form
    45437
    ZSA
    ZINC000013571731    		 2 C9 H10 N6 InChI=1S/C9H10N6/c10-7-5-
    3-1-2-4-6(5)8(13-7)14-15-
    9(11)12/h1-4H,(H2,10,13,1
    4)(H4,11,12,15);
    MMCURALNZRAPHY-UHFFFAOYSA-N    		 N=C(N)N\N=C1/N=C(N)c2ccccc21; c1ccc2c(c1
    )C(=NC2=NNC(=N)N)N; c1ccc\2c(c1)C(=N/C2=
    N\NC(=N)N)N; NC(=N)N/N=C/1N=C(N)c2ccccc/
    12; NC(=N)NN=C1N=C(N)c2ccccc12    		 (2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide
    45438
    ZSB
    CHEMBL5314423    		 3 C23 H24 N8 O3 InChI=1S/C23H24N8O3/c1-24
    -20-12-18(27-16-6-5-11-30
    (23(16)33)19-7-3-4-10-25-
    19)29-21-14(13-26-31(20)2
    1)22(32)28-15-8-9-17(15)3
    4-2/h3-7,10-13,15,17,24H,
    8-9H2,1-2H3,(H,27,29)(H,2
    8,32)/t15-,17-/m1/s1;
    BWINBHTTZLVXGT-NVXWUHKLSA-N    		 CNc1cc(nc2n1ncc2C(=O)NC3CCC3OC)NC4=CC=CN
    (C4=O)c5ccccn5; CNc1cc(nc2n1ncc2C(=O)N[C
    @@H]3CC[C@H]3OC)NC4=CC=CN(C4=O)c5ccccn5;
    CNc1cc(NC2=CC=CN(C2=O)c3ccccn3)nc4n1ncc
    4C(=O)N[C@@H]5CC[C@H]5OC; CNc1cc(NC2=CC=
    CN(C2=O)c3ccccn3)nc4n1ncc4C(=O)N[CH]5CC[
    CH]5OC; COC1CCC1NC(=O)c1cnn2c(cc(nc12)NC
    1=CC=CN(c2ccccn2)C1=O)NC    		 (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide;
    TAK-279
    45439
    ZSC    		 0 C10 H11 N O6 S InChI=1S/C10H11NO6S/c1-11
    (18(2,16)17)8-4-6(9(12)13
    )3-7(5-8)10(14)15/h3-5H,1
    -2H3,(H,12,13)(H,14,15);
    AQLCCKNBQHJPIB-UHFFFAOYSA-N    		 O=S(=O)(N(c1cc(cc(c1)C(=O)O)C(=O)O)C)C;
    CN(c1cc(cc(c1)C(=O)O)C(=O)O)S(=O)(=O)C;
    CN(c1cc(cc(c1)C(O)=O)C(O)=O)[S](C)(=O)=O    		 5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
    45440
    ZSD
    ZINC000072434670    		 1 C18 H24 N8 O InChI=1S/C18H24N8O/c1-12-
    16(13(2)27-23-12)10-24(3)
    8-14-6-15-9-25(4-5-26(15)
    22-14)18-7-17(19)20-11-21
    -18/h6-7,11H,4-5,8-10H2,1
    -3H3,(H2,19,20,21);
    UIAMVAYKSCWAMB-UHFFFAOYSA-N    		 CN(Cc1cc2CN(CCn2n1)c3cc(N)ncn3)Cc4c(C)on
    c4C; CN(Cc1c(C)onc1C)Cc1cc2CN(CCn2n1)c1c
    c(N)ncn1; Cc1c(c(on1)C)CN(C)Cc2cc3n(n2)C
    CN(C3)c4cc(ncn4)N    		 6-[(8R)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]pyrimidin-4-amine
    45441
    ZSF    		 2 C10 H20 N5 O25 P7 InChI=1S/C10H20N5O25P7/c1
    1-8-5-9(13-2-12-8)15(3-14
    -5)10-7(17)6(16)4(34-10)1
    -33-42(21,22)36-44(25,26)
    38-46(29,30)40-47(31,32)3
    9-45(27,28)37-43(23,24)35
    -41(18,19)20/h2-4,6-7,10,
    16-17H,1H2,(H,21,22)(H,23
    ,24)(H,25,26)(H,27,28)(H,
    29,30)(H,31,32)(H2,11,12,
    13)(H2,18,19,20)/t4-,6-,7
    -,10-/m1/s1;
    CLTPWCJSZCAWDP-KQYNXXCUSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O
    P(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O
    )(O)OP(=O)(O)O)O)O)N; O=P(O)(O)OP(=O)(O)
    OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=
    O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O; c1
    nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H
    ](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(
    O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N; Nc
    1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)
    O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)
    (=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@
    H]3O; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O
    )(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[
    P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)
    [CH]3O    		 adenosine 5'-heptaphosphate
    45442
    ZSG    		 1 C15 H22 N8 O InChI=1S/C15H22N8O/c1-21(
    2)6-5-17-14(24)12-9-11-10
    -22(7-8-23(11)20-12)13-3-
    4-18-15(16)19-13/h3-4,9H,
    5-8,10H2,1-2H3,(H,17,24)(
    H2,16,18,19);
    SOQWCHRGAQNWSN-UHFFFAOYSA-N    		 CN(C)CCNC(=O)c1cc2CN(CCn2n1)c3ccnc(N)n3;
    CN(C)CCNC(=O)c1cc2CN(CCn2n1)c1ccnc(N)n1
    ; CN(C)CCNC(=O)c1cc2n(n1)CCN(C2)c3ccnc(n
    3)N    		 (8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
    45443
    ZSI    		 2 C38 H46 N10 O17 P2 InChI=1S/C38H46N10O17P2/c
    1-16-7-21-22(8-17(16)2)48
    -26(51)10-20(18-5-4-6-19(
    9-18)33(55)40-3)38(48)35(
    44-37(57)45-36(38)56)46(2
    1)11-23(49)28(52)24(50)12
    -62-66(58,59)65-67(60,61)
    63-13-25-29(53)30(54)34(6
    4-25)47-15-43-27-31(39)41
    -14-42-32(27)47/h4-9,14-1
    5,20,23-26,28-30,34,49-54
    H,10-13H2,1-3H3,(H,40,55)
    (H,58,59)(H,60,61)(H2,39,
    41,42)(H,45,56,57)/t20-,2
    3-,24+,25+,26+,28-,29+,30
    +,34+,38-/m0/s1;
    OFQIHTOYKCFYNP-CJJJTBNSSA-N    		 CNC(=O)c1cccc(c1)C1CC(O)N2c3cc(C)c(C)cc3
    N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC
    (n4cnc5c(N)ncnc54)C(O)C3O)C3=NC(=O)NC(=O
    )C123; Cc1cc2c(cc1C)N3[C@@H](C[C@H]([C@]
    34C(=O)NC(=O)N=C4N2C[C@@H]([C@@H]([C@@H]
    (COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]
    ([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8cc
    cc(c8)C(=O)NC)O; CNC(=O)c1cccc(c1)[CH]2C
    [CH](O)N3c4cc(C)c(C)cc4N(C[CH](O)[CH](O)
    [CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[C
    H]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)C8=NC(
    =O)NC(=O)[C]238; CNC(=O)c1cccc(c1)[C@@H]
    2C[C@@H](O)N3c4cc(C)c(C)cc4N(C[C@H](O)[C
    @H](O)[C@H](O)CO[P](O)(=O)O[P](O)(=O)OC[
    C@H]5O[C@H]([C@H](O)[C@@H]5O)n6cnc7c(N)n
    cnc67)C8=NC(=O)NC(=O)[C@@]238; Cc1cc2c(c
    c1C)N3C(CC(C34C(=O)NC(=O)N=C4N2CC(C(C(CO
    P(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6nc
    nc7N)O)O)O)O)O)c8cccc(c8)C(=O)NC)O    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-3-[3-(methylcarbamoyl)phenyl]-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name)
    45444
    ZSJ
    ZINC000002181868    		 1 C10 H15 N O S InChI=1S/C10H15NOS/c1-13-
    10-4-2-9(3-5-10)8-11-6-7-
    12/h2-5,11-12H,6-8H2,1H3;
    MXNHNDNJEDGUBO-UHFFFAOYSA-N    		 CSc1ccc(CNCCO)cc1; CSc1ccc(cc1)CNCCO 2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol
    45445
    ZSL    		 1 C16 H23 N5 O13 P2 S InChI=1S/C16H23N5O13P2S/c
    17-13-8-14(19-3-18-13)21(
    4-20-8)15-11(24)9(22)6(32
    -15)1-30-35(25,26)34-36(2
    7,28)31-2-7-10(23)12-16(3
    3-7)37-5-29-12/h3-4,6-7,9
    -12,15-16,22-24H,1-2,5H2,
    (H,25,26)(H,27,28)(H2,17,
    18,19)/t6-,7-,9-,10-,11-,
    12-,15-,16-/m1/s1;
    JPGLSFZFEDXQNE-MLCZKHQMSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]
    ([C@@H]5[C@H](O4)SCO5)O)O)O)N; Nc1ncnc2c
    1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3SCOC
    3C2O)C(O)C1O; Nc1ncnc2n(cnc12)[CH]3O[CH]
    (CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]5SCO
    [CH]5[CH]4O)[CH](O)[CH]3O; c1nc(c2c(n1)n
    (cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C
    (C5C(O4)SCO5)O)O)O)N; Nc1ncnc2n(cnc12)[C
    @@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)OC[C@
    H]4O[C@@H]5SCO[C@@H]5[C@@H]4O)[C@@H](O)[
    C@H]3O    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(3aR,5R,6R,6aR)-6-hydroxytetrahydro-2H-furo[2,3-d][1,3]oxathiol-5-yl]methyl dihydrogen diphosphate (non-preferred name)
    45446
    ZSM
    CHEMBL501448
    ZINC000003845289    		 1 C10 H14 N4 S2 InChI=1S/C10H14N4S2/c11-9
    (12)15-5-7-1-2-8(4-3-7)6-
    16-10(13)14/h1-4H,5-6H2,(
    H3,11,12)(H3,13,14);
    PWMGHDCLHPWGBX-UHFFFAOYSA-N    		 NC(=N)SCc1ccc(CSC(N)=N)cc1; N=C(N)SCc1cc
    c(CSC(=N)N)cc1; c1cc(ccc1CSC(=N)N)CSC(=N
    )N    		 (1,4-phenylene)bis(methylene) dicarbamimidothioate
    45447
    ZSN    		 0 C3 H7 N3 O3 InChI=1S/C3H7N3O3/c4-2(7)
    1-6(5)3(8)9/h1,5H2,(H2,4,
    7)(H,8,9);
    AYJPQGDWEDBSTK-UHFFFAOYSA-N    		 O=C(N)CN(N)C(=O)O; C(C(=O)N)N(C(=O)O)N;
    NN(CC(N)=O)C(O)=O    		 1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid;
    Aza-asparagine
    45448
    ZSO    		 1 C19 H20 F N3 O InChI=1S/C19H20FN3O/c20-1
    6-3-1-13(2-4-16)18-7-8-21
    -10-15(18)12-24-17-5-6-19
    -14(9-17)11-22-23-19/h1-6
    ,9,11,15,18,21H,7-8,10,12
    H2,(H,22,23)/t15-,18-/m0/
    s1;
    ICFQMYOLILBYFP-YJBOKZPZSA-N    		 c1cc(ccc1C2CCNCC2COc3ccc4c(c3)c[nH]n4)F;
    c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)
    c[nH]n4)F; Fc4ccc(C1CCNCC1COc3cc2cnnc2cc
    3)cc4; Fc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3c
    cc4n[nH]cc4c3; Fc1ccc(cc1)[CH]2CCNC[CH]2
    COc3ccc4n[nH]cc4c3    		 5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2H-indazole
    45449
    ZSP
    ZINC000103562712    		 12 C9 H11 N5 O3 InChI=1S/C9H11N5O3/c1-3(1
    5)6(16)4-2-11-7-5(12-4)8(
    17)14-9(10)13-7/h15-16H,2
    H2,1H3,(H4,10,11,13,14,17
    )/b6-3-;
    FYDGMRRMOMSOLR-UTCJRWHESA-N    		 C/C(=C(\C1=NC2=C(NC1)N=C(NC2=O)N)/O)/O;
    CC(O)=C(O)C1=NC2=C(NC1)N=C(N)NC2=O; CC(/
    O)=C(O)\C1=NC2=C(NC1)N=C(N)NC2=O; CC(=C(
    C1=NC2=C(NC1)N=C(NC2=O)N)O)O; O=C1C=2N=C
    (C(\O)=C(\O)C)CNC=2N=C(N)N1    		 2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one;
    Sepiapterin (enol-form)
    45450
    ZSS
    ZINC000073658678    		 3 C9 H11 Cl N2 S InChI=1S/C9H11ClN2S/c1-6(
    13-9(11)12)7-2-4-8(10)5-3
    -7/h2-6H,1H3,(H3,11,12)/t
    6-/m1/s1;
    LMPMLIXDHLWEBJ-ZCFIWIBFSA-N    		 C[CH](SC(N)=N)c1ccc(Cl)cc1; [H]/N=C(/N)\
    S[C@H](C)c1ccc(cc1)Cl; Clc1ccc(cc1)C(C)S
    C(=N)N; CC(c1ccc(cc1)Cl)SC(=N)N; C[C@@H]
    (SC(N)=N)c1ccc(Cl)cc1    		 (1R)-1-(4-chlorophenyl)ethyl carbamimidothioate
    45451
    ZST
    CHEMBL10372
    DB08772
    ZINC000000538557    		 20 C19 H12 F3 N3 O3 S InChI=1S/C19H12F3N3O3S/c2
    0-19(21,22)10-5-6-15-14(7
    -10)23-16(29-15)9-25-18(2
    8)12-4-2-1-3-11(12)13(24-
    25)8-17(26)27/h1-7H,8-9H2
    ,(H,26,27);
    BCSVCWVQNOXFGL-UHFFFAOYSA-N    		 FC(F)(F)c1cc2nc(sc2cc1)CN3N=C(c4ccccc4C3
    =O)CC(=O)O; c1ccc2c(c1)C(=NN(C2=O)Cc3nc4
    cc(ccc4s3)C(F)(F)F)CC(=O)O; OC(=O)CC1=NN
    (Cc2sc3ccc(cc3n2)C(F)(F)F)C(=O)c4ccccc14    		 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID
    45452
    ZSV    		 8 C32 H35 N2 O8 InChI=1S/C32H34N2O8/c1-3-
    16-34(18-22-6-4-5-7-26(22
    )31(37)33-17-21-8-11-24(4
    0-2)12-9-21)19-23-10-14-2
    7-30(29(23)32(38)39)41-20
    -25(42-27)13-15-28(35)36/
    h3-12,14,25H,1,13,15-20H2
    ,2H3,(H,33,37)(H,35,36)(H
    ,38,39)/p+1/t25-/m0/s1;
    ZRNNRYOIYQTQFF-VWLOTQADSA-O    		 COc1ccc(CNC(=O)c2ccccc2C[NH+](CC=C)Cc3cc
    c4O[C@@H](CCC(O)=O)COc4c3C(O)=O)cc1; COc
    1ccc(cc1)CNC(=O)c2ccccc2C[NH+](CC=C)Cc3c
    cc4c(c3C(=O)O)OCC(O4)CCC(=O)O; COc1ccc(C
    NC(=O)c2ccccc2C[NH+](CC=C)Cc3ccc4O[CH](C
    CC(O)=O)COc4c3C(O)=O)cc1; COc1ccc(cc1)CN
    C(=O)c2ccccc2C[NH+](CC=C)Cc3ccc4c(c3C(=O
    )O)OC[C@@H](O4)CCC(=O)O    		 (R)-[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium
    45453
    ZSW    		 8 C28 H35 N2 O7 InChI=1S/C28H34N2O7/c1-4-
    14-30(15-19-8-6-7-9-22(19
    )27(33)29-18(3)5-2)16-20-
    10-12-23-26(25(20)28(34)3
    5)36-17-21(37-23)11-13-24
    (31)32/h4,6-10,12,18,21H,
    1,5,11,13-17H2,2-3H3,(H,2
    9,33)(H,31,32)(H,34,35)/p
    +1/t18-,21+/m1/s1;
    AGZZKFCNWHLQQG-NQIIRXRSSA-O    		 CC[C@@H](C)NC(=O)c1ccccc1C[NH+](CC=C)Cc2
    ccc3c(c2C(=O)O)OC[C@@H](O3)CCC(=O)O; CC[
    CH](C)NC(=O)c1ccccc1C[NH+](CC=C)Cc2ccc3O
    [CH](CCC(O)=O)COc3c2C(O)=O; CCC(C)NC(=O)
    c1ccccc1C[NH+](CC=C)Cc2ccc3c(c2C(=O)O)OC
    C(O3)CCC(=O)O; CC[C@@H](C)NC(=O)c1ccccc1
    C[NH+](CC=C)Cc2ccc3O[C@@H](CCC(O)=O)COc3
    c2C(O)=O    		 (R)-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl-[[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium
    45454
    ZSX
    ZINC000004202290    		 0 C9 H11 N O3 InChI=1S/C9H11NO3/c1-13-7
    -4-2-6(3-5-7)8(10)9(11)12
    /h2-5,8H,10H2,1H3,(H,11,1
    2)/t8-/m1/s1;
    GXUAKXUIILGDKW-MRVPVSSYSA-N    		 COc1ccc(cc1)[CH](N)C(O)=O; COc1ccc(cc1)C
    (C(=O)O)N; COc1ccc(cc1)[C@H](C(=O)O)N; C
    Oc1ccc(cc1)[C@@H](N)C(O)=O; COc1ccc(cc1)
    C(N)C(=O)O    		 (2R)-amino(4-methoxyphenyl)acetic acid
    45455
    ZSY
    ZINC000071839240    		 1 C19 H17 N3 O3 InChI=1S/C19H17N3O3/c23-1
    8-15(8-9-16(21-18)17-5-3-
    11-25-17)19(24)22(14-6-7-
    14)12-13-4-1-2-10-20-13/h
    1-5,8-11,14H,6-7,12H2,(H,
    21,23);
    VTYIZPVGHMMFAO-UHFFFAOYSA-N    		 Oc1nc(ccc1C(=O)N(Cc2ccccn2)C3CC3)c4occc4
    ; O=C(c1ccc(nc1O)c1ccco1)N(Cc1ccccn1)C1C
    C1; c1ccnc(c1)CN(C2CC2)C(=O)c3ccc(nc3O)c
    4ccco4    		 N-cyclopropyl-6-(furan-2-yl)-2-hydroxy-N-[(pyridin-2-yl)methyl]pyridine-3-carboxamide
    45456
    ZT0    		 4 C26 H27 N2 O6 InChI=1S/C26H26N2O6/c1-28
    (15-19-9-12-22-24(34-16-3
    3-22)23(19)26(30)31)14-18
    -5-3-4-6-21(18)25(29)27-1
    3-17-7-10-20(32-2)11-8-17
    /h3-12H,13-16H2,1-2H3,(H,
    27,29)(H,30,31)/p+1;
    YWMUPSLVZDTDIZ-UHFFFAOYSA-O    		 COc1ccc(CNC(=O)c2ccccc2C[NH+](C)Cc3ccc4O
    COc4c3C(O)=O)cc1; C[NH+](Cc1ccccc1C(=O)N
    Cc2ccc(cc2)OC)Cc3ccc4c(c3C(=O)O)OCO4; O=
    C(NCc1ccc(OC)cc1)c2ccccc2C[NH+](C)Cc3ccc
    4OCOc4c3C(=O)O    		 (4-CARBOXY-1,3-BENZODIOXOL-5-YL)-N-{2-[(4-METHOXYBENZYL)CARBAMOYL]BENZYL}-N-METHYLMETHANAMINIUM
    45457
    ZT1    		 0 C14 H26 N4 O2 InChI=1S/C14H26N4O2/c1-11
    (2)18(9-12-8-16-10-17(12)
    3)7-5-4-6-13(15)14(19)20/
    h8,10-11,13H,4-7,9,15H2,1
    -3H3,(H,19,20)/t13-/m0/s1;
    LXXPOZGLFXPWOY-ZDUSSCGKSA-N    		 CC(C)N(CCCC[C@@H](C(=O)O)N)Cc1cncn1C; CC
    (C)N(CCCC[C@H](N)C(O)=O)Cc1cncn1C; Cn1cn
    cc1CN(CCCCC(N)C(=O)O)C(C)C; CC(C)N(CCCCC
    (C(=O)O)N)Cc1cncn1C; CC(C)N(CCCC[CH](N)C
    (O)=O)Cc1cncn1C    		 N~6~-[(1-methyl-1H-imidazol-5-yl)methyl]-N~6~-propan-2-yl-L-lysine
    45458
    ZT2
    ZINC000095920890    		 16 C18 H12 O5 InChI=1S/C18H12O5/c19-14-
    8-10-3-1-2-4-12(10)13(14)
    7-11-5-6-15-17(23-9-22-15
    )16(11)18(20)21/h1-7H,8-9
    H2,(H,20,21)/b13-7+;
    WRNAEMYUELGDPO-NTUHNPAUSA-N    		 c1ccc\2c(c1)CC(=O)/C2=C/c3ccc4c(c3C(=O)O
    )OCO4; OC(=O)c1c2OCOc2ccc1\C=C/3C(=O)Cc4
    ccccc/34; O=C2C(\c1ccccc1C2)=C\c3ccc4OCO
    c4c3C(=O)O; OC(=O)c1c2OCOc2ccc1C=C3C(=O)
    Cc4ccccc34; c1ccc2c(c1)CC(=O)C2=Cc3ccc4c
    (c3C(=O)O)OCO4    		 5-[(E)-(2-OXO-2,3-DIHYDRO-1H-INDEN-1-YLIDENE)METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
    45459
    ZT3    		 6 C25 H28 N4 O InChI=1S/C25H28N4O/c1-16-
    8-13-21-22(17(16)2)29(15-
    18-7-6-14-26-23(18)28-21)
    24(30)27-20-11-9-19(10-12
    -20)25(3,4)5/h6-14H,15H2,
    1-5H3,(H,26,28)(H,27,30);
    RHGZKBFOWYGLDJ-UHFFFAOYSA-N    		 CC(C)(C)c1ccc(cc1)NC(=O)N1Cc2cccnc2Nc2cc
    c(C)c(C)c21; Cc1ccc2c(c1C)N(Cc3cccnc3N2)
    C(=O)Nc4ccc(cc4)C(C)(C)C; Cc1ccc2Nc3nccc
    c3CN(C(=O)Nc4ccc(cc4)C(C)(C)C)c2c1C    		 N-(4-tert-butylphenyl)-7,8-dimethyl-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepine-6-carboxamide
    45460
    ZT4
    ZINC000095920888    		 4 C18 H14 O5 InChI=1S/C18H14O5/c19-14-
    8-10-3-1-2-4-12(10)13(14)
    7-11-5-6-15-17(23-9-22-15
    )16(11)18(20)21/h1-7,14,1
    9H,8-9H2,(H,20,21)/b13-7+
    /t14-/m0/s1;
    SLQGUUWKGRSNCG-GUNGLEHYSA-N    		 O[CH]1Cc2ccccc2C1=Cc3ccc4OCOc4c3C(O)=O;
    O[C@H]1Cc2ccccc2\C1=C/c3ccc4OCOc4c3C(O)=
    O; c1ccc2c(c1)CC(C2=Cc3ccc4c(c3C(=O)O)OC
    O4)O; O=C(O)c1c(ccc2OCOc12)/C=C4\c3ccccc
    3CC4O    		 5-{(E)-[(2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLIDENE]METHYL}-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
    45461
    ZT6    		 0 C18 H30 Cl N O4 Si InChI=1S/C18H30ClNO4Si/c1
    -10(2)25(11(3)4,12(5)6)24
    -17(16(20)18(22)23)13-7-8
    -15(21)14(19)9-13/h7-12,1
    6-17,21H,20H2,1-6H3,(H,22
    ,23)/t16-,17+/m0/s1;
    FNRYKHQDTZHUJG-DLBZAZTESA-N    		 CC(C)[Si](O[CH]([CH](N)C(O)=O)c1ccc(O)c(
    Cl)c1)(C(C)C)C(C)C; CC(C)[Si](C(C)C)(C(C
    )C)O[C@H](c1ccc(c(c1)Cl)O)[C@@H](C(=O)O)
    N; Oc1ccc(cc1Cl)C(O[Si](C(C)C)(C(C)C)C(C
    )C)C(N)C(=O)O; CC(C)[Si](C(C)C)(C(C)C)OC
    (c1ccc(c(c1)Cl)O)C(C(=O)O)N; CC(C)[Si](O
    [C@@H]([C@H](N)C(O)=O)c1ccc(O)c(Cl)c1)(C
    (C)C)C(C)C    		 (betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-L-tyrosine
    45462
    ZT7    		 2 C10 H10 N2 O InChI=1S/C10H10N2O/c1-7(1
    3)12-5-8-2-3-10(11)4-9(8)
    6-12/h2-6H,11H2,1H3;
    QUEOWOVPZRUSRH-UHFFFAOYSA-N    		 CC(=O)n1cc2ccc(N)cc2c1; CC(=O)n1cc2ccc(c
    c2c1)N    		 1-(5-amino-2H-isoindol-2-yl)ethan-1-one
    45463
    ZT9    		 0 C9 H11 N O2 S InChI=1S/C9H11NO2S/c1-12-
    7-4-2-6(3-5-7)8(10)9(11)1
    3/h2-5,8H,10H2,1H3,(H,11,
    13)/t8-/m1/s1;
    INSVIGJTBISSTF-MRVPVSSYSA-N    		 COc1ccc(cc1)C(C(=S)O)N; COc1ccc(cc1)C(N)
    C(O)=S; COc1ccc(cc1)[C@@H](N)C(O)=S; COc
    1ccc(cc1)[C@H](C(=S)O)N; COc1ccc(cc1)[CH
    ](N)C(O)=S    		 (2R)-amino(4-methoxyphenyl)ethanethioic O-acid
    45464
    ZTA    		 1 C15 H10 O3 InChI=1S/C15H10O3/c16-9-1
    3-12-8-11(15-2-1-7-18-15)
    4-3-10(12)5-6-14(13)17/h1
    -9,17H;
    VJXXMWQMXRJRKS-UHFFFAOYSA-N    		 Oc1ccc2ccc(cc2c1C=O)c3occc3; O=Cc1c2cc(c
    cc2ccc1O)c1ccco1; c1cc(oc1)c2ccc3ccc(c(c
    3c2)C=O)O    		 (7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde
    45465
    ZTC
    ZINC000004202366    		 0 C10 H13 N O4 InChI=1S/C10H13NO4/c1-14-
    7-3-6(9(11)10(12)13)4-8(5
    -7)15-2/h3-5,9H,11H2,1-2H
    3,(H,12,13)/t9-/m0/s1;
    PUDUIVFPKSOBOR-VIFPVBQESA-N    		 COc1cc(OC)cc(c1)[CH](N)C(O)=O; COc1cc(cc
    (OC)c1)C(N)C(=O)O; COc1cc(cc(c1)OC)C(C(=
    O)O)N; COc1cc(cc(c1)OC)[C@@H](C(=O)O)N;
    COc1cc(OC)cc(c1)[C@H](N)C(O)=O    		 (2S)-amino(3,5-dimethoxyphenyl)acetic acid
    45466
    ZTD
    ZINC000095921110    		 4 C20 H23 N3 O6 InChI=1S/C20H23N3O6/c1-12
    -7-16(29-22-12)9-18(25)23
    -11-15(24)8-17(23)19(26)2
    1-10-13-3-5-14(6-4-13)20(
    27)28-2/h3-7,15,17,24H,8-
    11H2,1-2H3,(H,21,26)/t15-
    ,17+/m1/s1;
    HMFSOBWOOWBCBL-WBVHZDCISA-N    		 O=C(N2C(C(=O)NCc1ccc(C(=O)OC)cc1)CC(O)C2
    )Cc3onc(c3)C; Cc1cc(on1)CC(=O)N2C[C@@H](
    C[C@H]2C(=O)NCc3ccc(cc3)C(=O)OC)O; COC(=
    O)c1ccc(CNC(=O)[CH]2C[CH](O)CN2C(=O)Cc3o
    nc(C)c3)cc1; COC(=O)c1ccc(CNC(=O)[C@@H]2
    C[C@@H](O)CN2C(=O)Cc3onc(C)c3)cc1; Cc1cc
    (on1)CC(=O)N2CC(CC2C(=O)NCc3ccc(cc3)C(=O
    )OC)O    		 METHYL 4-[({(4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLYL}AMINO)METHYL]BENZOATE
    45467
    ZTE    		 4 C16 H16 N6 O4 S2 InChI=1S/C16H16N6O4S2/c17
    -10(5-13(18)23)16(24)22-2
    8(25,26)9-3-1-2-8(4-9)12-
    6-11-14(27-12)15(19)21-7-
    20-11/h1-4,6-7,10H,5,17H2
    ,(H2,18,23)(H,22,24)(H2,1
    9,20,21)/t10-/m0/s1;
    YYLYXTNPSXPFAU-JTQLQIEISA-N    		 c1cc(cc(c1)S(=O)(=O)NC(=O)C(CC(=O)N)N)c2
    cc3c(s2)c(ncn3)N; N[CH](CC(N)=O)C(=O)N[S
    ](=O)(=O)c1cccc(c1)c2sc3c(N)ncnc3c2; NC(
    =O)CC(N)C(=O)NS(=O)(=O)c1cccc(c1)c1cc2nc
    nc(N)c2s1; c1cc(cc(c1)S(=O)(=O)NC(=O)[C@
    H](CC(=O)N)N)c2cc3c(s2)c(ncn3)N; N[C@@H]
    (CC(N)=O)C(=O)N[S](=O)(=O)c1cccc(c1)c2sc
    3c(N)ncnc3c2    		 N~1~-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-aspartamide
    45468
    ZTG    		 0 C18 H30 Cl N O4 Si InChI=1S/C18H30ClNO4Si/c1
    -10(2)25(11(3)4,12(5)6)24
    -17(16(20)18(22)23)13-7-8
    -15(21)14(19)9-13/h7-12,1
    6-17,21H,20H2,1-6H3,(H,22
    ,23)/t16-,17-/m1/s1;
    FNRYKHQDTZHUJG-IAGOWNOFSA-N    		 CC(C)[Si](O[CH]([CH](N)C(O)=O)c1ccc(O)c(
    Cl)c1)(C(C)C)C(C)C; Oc1ccc(cc1Cl)C(O[Si]
    (C(C)C)(C(C)C)C(C)C)C(N)C(=O)O; CC(C)[Si
    ](O[C@@H]([C@@H](N)C(O)=O)c1ccc(O)c(Cl)c
    1)(C(C)C)C(C)C; CC(C)[Si](C(C)C)(C(C)C)O
    C(c1ccc(c(c1)Cl)O)C(C(=O)O)N; CC(C)[Si](
    C(C)C)(C(C)C)O[C@H](c1ccc(c(c1)Cl)O)[C@H
    ](C(=O)O)N    		 (betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-D-tyrosine
    45469
    ZTH
    ZINC000058649877    		 0 C8 H13 N2 O7 P InChI=1S/C8H13N2O7P/c1-5-
    2-10(8(13)9-7(5)12)3-6(11
    )4-17-18(14,15)16/h2,6,11
    H,3-4H2,1H3,(H,9,12,13)(H
    2,14,15,16)/t6-/m0/s1;
    WWYWEFRSGDVKHI-LURJTMIESA-N    		 O=P(O)(O)OCC(O)CN1C=C(C(=O)NC1=O)C; CC1=
    CN(C[CH](O)CO[P](O)(O)=O)C(=O)NC1=O; CC1
    =CN(C[C@H](O)CO[P](O)(O)=O)C(=O)NC1=O; C
    C1=CN(C(=O)NC1=O)CC(COP(=O)(O)O)O; CC1=C
    N(C(=O)NC1=O)C[C@@H](COP(=O)(O)O)O    		 (S)-1'-(2',3'-DIHYDROXYPROPYL)-THYMINE
    45470
    ZTI
    CHEMBL3104427
    ZINC000000813401    		 1 C8 H7 N3 S InChI=1S/C8H7N3S/c9-8-11-
    7(5-12-8)6-3-1-2-4-10-6/h
    1-5H,(H2,9,11);
    BLKHMTAXNXLDJP-UHFFFAOYSA-N    		 c1ccnc(c1)c2csc(n2)N; Nc1scc(n1)c2ccccn2 4-pyridin-2-yl-1,3-thiazol-2-amine
    45471
    ZTK
    CHEMBL4172293
    ZINC000000901380    		 0 C4 H6 N2 O2 InChI=1S/C4H6N2O2/c5-2-1-
    3(6)4(7)8/h3H,1,6H2,(H,7,
    8)/t3-/m0/s1;
    BXRLWGXPSRYJDZ-VKHMYHEASA-N    		 C(C#N)C(C(=O)O)N; N[CH](CC#N)C(O)=O; N[C
    @@H](CC#N)C(O)=O; C(C#N)[C@@H](C(=O)O)N;
    N#CCC(N)C(=O)O    		 (2S)-2-amino-3-cyanopropanoic acid
    45472
    ZTL    		 2 C24 H34 N2 O InChI=1S/C24H34N2O/c25-15
    -16-6-8-21(9-7-16)26-23(2
    7)22-18-10-17-11-19(22)14
    -24(12-17,13-18)20-4-2-1-
    3-5-20/h1-5,16-19,21-22H,
    6-15,25H2,(H,26,27)/t16-,
    17-,18-,19+,21-,22-,24-;
    IRIFICPLNIURJD-IXFKACPXSA-N    		 c1ccc(cc1)C23C[C@H]4CC(C2)C[C@@H](C3)C4C
    (=O)NC5CCC(CC5)CN; NC[CH]1CC[CH](CC1)NC(
    =O)[CH]2[CH]3CC4C[CH]2CC(C4)(C3)c5ccccc5
    ; c1ccc(cc1)C23CC4CC(C2)C(C(C4)C3)C(=O)N
    C5CCC(CC5)CN; O=C(NC1CCC(CC1)CN)C1C2CC3C
    C1CC(C3)(C2)c1ccccc1; NC[C@H]1CC[C@@H](C
    C1)NC(=O)[C@@H]2[C@@H]3CC4C[C@H]2CC(C4)(
    C3)c5ccccc5    		 (1R,2s,3S,5s,7s)-N-[(1r,4r)-4-(aminomethyl)cyclohexyl]-5-phenyladamantane-2-carboxamide
    45473
    ZTM    		 0 Ac InChI=1S/Ac/q+3;
    NBPXRFNLHVPTNL-UHFFFAOYSA-N    		 [Ac+3] Actinium Ion
    45474
    ZTN
    ZINC000000409209    		 2 C6 H4 F2 O InChI=1S/C6H4F2O/c7-4-2-1
    -3-5(9)6(4)8/h1-3,9H;
    RPEPGIOVXBBUMJ-UHFFFAOYSA-N    		 Oc1cccc(F)c1F; c1cc(c(c(c1)F)F)O 2,3-bis(fluoranyl)phenol
    45475
    ZTO    		 2 C23 H19 F N2 O3 InChI=1S/C23H19FN2O3/c1-2
    9-18-8-5-15(6-9-18)22(27)
    25-17-4-2-3-14(11-17)12-2
    0-19-13-16(24)7-10-21(19)
    26-23(20)28/h2-11,13,20H,
    12H2,1H3,(H,25,27)(H,26,2
    8)/t20-/m1/s1;
    PMXAOPMAOYNZJP-HXUWFJFHSA-N    		 COc1ccc(cc1)C(=O)Nc2cccc(c2)CC3c4cc(ccc4
    NC3=O)F; COc1ccc(cc1)C(=O)Nc2cccc(C[CH]3
    C(=O)Nc4ccc(F)cc34)c2; COc1ccc(cc1)C(=O)
    Nc1cccc(c1)CC1c2cc(F)ccc2NC1=O; COc1ccc(
    cc1)C(=O)Nc2cccc(c2)C[C@@H]3c4cc(ccc4NC3
    =O)F; COc1ccc(cc1)C(=O)Nc2cccc(C[C@H]3C(
    =O)Nc4ccc(F)cc34)c2    		 N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide
    45476
    ZTP
    ZINC000062227954    		 4 C40 H68 O7 P2 InChI=1S/C40H68O7P2/c1-33
    (2)17-10-18-34(3)19-11-20
    -35(4)21-12-22-36(5)23-13
    -24-37(6)25-14-26-38(7)27
    -15-28-39(8)29-16-30-40(9
    )31-32-46-49(44,45)47-48(
    41,42)43/h17,19,21,23,25,
    27,29,31H,10-16,18,20,22,
    24,26,28,30,32H2,1-9H3,(H
    ,44,45)(H2,41,42,43)/b34-
    19-,35-21-,36-23-,37-25-,
    38-27-,39-29-,40-31-;
    IKKLDISSULFFQO-DLTKSLTJSA-N    		 CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/
    C(=C\CC/C(=C\CC/C(=C\CO[P@@](=O)(O)OP(=O
    )(O)O)/C)/C)/C)/C)/C)/C)/C)C; CC(C)=CCC\
    C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\
    C(C)=C/CC\C(C)=C/CC\C(C)=C/CO[P](O)(=O)O
    [P](O)(O)=O; O=P(O)(O)OP(=O)(OC/C=C(/C)C
    C/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)C
    C/C=C(/C)CC/C=C(/C)CC\C=C(/C)C)O; CC(=CC
    CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=
    CCOP(=O)(O)OP(=O)(O)O)C)C)C)C)C)C)C)C; C
    C(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC
    C(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O
    )(O)=O    		 (2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate
    45477
    ZTQ
    ZINC000003063328    		 2 C15 H14 O3 InChI=1S/C15H14O3/c1-11(1
    5(16)17)18-14-9-7-13(8-10
    -14)12-5-3-2-4-6-12/h2-11
    H,1H3,(H,16,17)/t11-/m0/s
    1;
    FUPGQEMJIGUBGO-NSHDSACASA-N    		 CC(C(=O)O)Oc1ccc(cc1)c2ccccc2; C[C@@H](C
    (=O)O)Oc1ccc(cc1)c2ccccc2; C[CH](Oc1ccc(
    cc1)c2ccccc2)C(O)=O; C[C@H](Oc1ccc(cc1)c
    2ccccc2)C(O)=O; CC(Oc1ccc(cc1)c1ccccc1)C
    (=O)O    		 (2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid
    45478
    ZTR    		 0 C9 H11 N O2 InChI=1S/C9H11NO2/c10-6-8
    -4-2-1-3-7(8)5-9(11)12/h1
    -4H,5-6,10H2,(H,11,12);
    VLOIVYPDUSVCLZ-UHFFFAOYSA-N    		 NCc1ccccc1CC(O)=O; NCc1ccccc1CC(=O)O; c1
    ccc(c(c1)CC(=O)O)CN    		 [2-(aminomethyl)phenyl]acetic acid
    45479
    ZTS    		 2 C10 H13 N2 O8 P InChI=1S/C10H13N2O8P/c1-5
    -8(13)7(3-12-9(14)10(15)1
    6)6(2-11-5)4-20-21(17,18)
    19/h2,13H,3-4H2,1H3,(H,12
    ,14)(H,15,16)(H2,17,18,19
    );
    UBNNJGPDPGHCQB-UHFFFAOYSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(CNC(=O)C(O)=O)c1O
    ; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=O)C(=O)O
    )O; Oc1c(CNC(=O)C(=O)O)c(cnc1C)COP(=O)(O
    )O    		 [({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino](oxo)acetic acid
    45480
    ZTT    		 4 C26 H28 N2 O4 InChI=1S/C26H28N2O4/c1-17
    -23-7-5-21(15-19(23)9-11-
    27(3)25(17)29)31-13-14-32
    -22-6-8-24-18(2)26(30)28(
    4)12-10-20(24)16-22/h5-12
    ,15-18H,13-14H2,1-4H3;
    HXVCPXGIAZLACO-UHFFFAOYSA-N    		 C[C@@H]1c2ccc(cc2C=CN(C1=O)C)OCCOc3ccc4c
    (c3)C=CN(C(=O)[C@@H]4C)C; C[CH]1C(=O)N(C
    )C=Cc2cc(OCCOc3ccc4[CH](C)C(=O)N(C)C=Cc4
    c3)ccc12; C[C@H]1C(=O)N(C)C=Cc2cc(OCCOc3
    ccc4[C@@H](C)C(=O)N(C)C=Cc4c3)ccc12; CC1
    c2ccc(cc2C=CN(C1=O)C)OCCOc3ccc4c(c3)C=CN
    (C(=O)C4C)C    		 (1R)-7-[2-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1H-3-benzazepin-2-one;
    (1R,1'R)-7,7'-(ethane-1,2-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one)
    45481
    ZTV    		 1 C21 H26 N6 O2 InChI=1S/C21H26N6O2/c1-14
    -12-28-9-7-26(14)17-11-18
    (27-8-10-29-13-15(27)2)23
    -21-19(17)24-20(25-21)16-
    5-3-4-6-22-16/h3-6,11,14-
    15H,7-10,12-13H2,1-2H3,(H
    ,23,24,25)/t14-,15+/m1/s1;
    WJWKTGFLLWKVGW-CABCVRRESA-N    		 C[CH]1COCCN1c2cc(N3CCOC[CH]3C)c4[nH]c(nc
    4n2)c5ccccn5; CC1COCCN1c1cc(nc2nc([NH]c2
    1)c1ccccn1)N1CCOCC1C; C[C@H]1COCCN1c2cc(
    N3CCOC[C@H]3C)c4[nH]c(nc4n2)c5ccccn5; CC
    1COCCN1c2cc(nc3c2[nH]c(n3)c4ccccn4)N5CCO
    CC5C; C[C@@H]1COCCN1c2cc(nc3c2[nH]c(n3)c
    4ccccn4)N5CCOC[C@@H]5C    		 (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine
    45482
    ZTW
    CHEMBL431698
    DB08773
    ZINC000003581478    		 2 C14 H10 O2 S InChI=1S/C14H10O2S/c15-11
    -4-1-9(2-5-11)13-7-10-3-6
    -12(16)8-14(10)17-13/h1-8
    ,15-16H;
    MDGWZLQPNOETLH-UHFFFAOYSA-N    		 Oc3ccc(c2sc1cc(O)ccc1c2)cc3; Oc1ccc(cc1)
    c2sc3cc(O)ccc3c2; c1cc(ccc1c2cc3ccc(cc3s
    2)O)O    		 RALOXIFENE CORE
    45483
    ZTX
    CHEMBL4649424    		 2 C24 H26 N6 O2 InChI=1S/C24H26N6O2/c1-28
    -20-6-4-3-5-19(20)23(32)2
    9(2)21-15-25-24(27-22(21)
    28)26-16-7-9-17(10-8-16)3
    0-13-11-18(31)12-14-30/h3
    -10,15,18,31H,11-14H2,1-2
    H3,(H,25,26,27);
    DFQAJLQXPSPNJE-UHFFFAOYSA-N    		 CN1C(=O)c2ccccc2N(C)c3nc(Nc4ccc(cc4)N5CC
    C(O)CC5)ncc13; O=C2c5ccccc5N(c1nc(ncc1N2
    C)Nc3ccc(cc3)N4CCC(O)CC4)C; CN1c2ccccc2C
    (=O)N(c3c1nc(nc3)Nc4ccc(cc4)N5CCC(CC5)O)
    C    		 2-((4-(4-HYDROXYPIPERIDIN-1-YL)PHENYL)AMINO)-5,11-DIMETHYL-5H-BENZO[E]PYRIMIDO [5,4-B][1,4]DIAZEPIN-6(11H)-ONE
    45484
    ZTY    		 2 C29 H34 N2 O4 InChI=1S/C29H34N2O4/c1-20
    -26-10-8-24(18-22(26)12-1
    4-30(3)28(20)32)34-16-6-5
    -7-17-35-25-9-11-27-21(2)
    29(33)31(4)15-13-23(27)19
    -25/h8-15,18-21H,5-7,16-1
    7H2,1-4H3/t20-,21-/m1/s1;
    LPZBOHUHUQVYMM-NHCUHLMSSA-N    		 CC1c2ccc(cc2C=CN(C1=O)C)OCCCCCOc3ccc4c(c
    3)C=CN(C(=O)C4C)C; C[CH]1C(=O)N(C)C=Cc2c
    c(OCCCCCOc3ccc4[CH](C)C(=O)N(C)C=Cc4c3)c
    cc12; C[C@H]1C(=O)N(C)C=Cc2cc(OCCCCCOc3c
    cc4[C@@H](C)C(=O)N(C)C=Cc4c3)ccc12; C[C@
    @H]1c2ccc(cc2C=CN(C1=O)C)OCCCCCOc3ccc4c(
    c3)C=CN(C(=O)[C@@H]4C)C    		 (1R)-7-[5-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]pentoxy]-1,3-dimethyl-1H-3-benzazepin-2-one;
    (1R,1'R)-7,7'-(pentane-1,5-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one)
    45485
    ZU0
    ZINC000000404775    		 0 C8 H17 N O3 InChI=1S/C8H17NO3/c1-5(6(
    9)7(10)11)12-8(2,3)4/h5-6
    H,9H2,1-4H3,(H,10,11)/t5-
    ,6+/m1/s1;
    NMJINEMBBQVPGY-RITPCOANSA-N    		 CC(C(C(=O)O)N)OC(C)(C)C; C[CH](OC(C)(C)C
    )[CH](N)C(O)=O; C[C@@H](OC(C)(C)C)[C@H](
    N)C(O)=O; O=C(O)C(N)C(OC(C)(C)C)C; C[C@H
    ]([C@@H](C(=O)O)N)OC(C)(C)C    		 O-tert-butyl-L-threonine
    45486
    ZU3
    ZINC000058649879    		 2 C32 H49 N5 O7 InChI=1S/C32H49N5O7/c1-20
    (2)16-25(28(40)35-24(13-1
    2-21(3)38)17-23-14-15-33-
    27(23)39)36-29(41)26(18-3
    4-30(42)32(4,5)6)37-31(43
    )44-19-22-10-8-7-9-11-22/
    h7-11,20,23-26H,12-19H2,1
    -6H3,(H,33,39)(H,34,42)(H
    ,35,40)(H,36,41)(H,37,43)
    /t23-,24+,25-,26-/m0/s1;
    IEQRDAZPCPYZAJ-QYOOZWMWSA-N    		 O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=
    O)NCC2)CCC(=O)C)CC(C)C)CNC(=O)C(C)(C)C;
    CC(C)CC(C(=O)NC(CCC(=O)C)CC1CCNC1=O)NC(=
    O)C(CNC(=O)C(C)(C)C)NC(=O)OCc2ccccc2; CC
    (C)C[CH](NC(=O)[CH](CNC(=O)C(C)(C)C)NC(=
    O)OCc1ccccc1)C(=O)N[CH](CCC(C)=O)C[CH]2C
    CNC2=O; CC(C)C[C@H](NC(=O)[C@H](CNC(=O)C
    (C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC
    (C)=O)C[C@@H]2CCNC2=O; CC(C)C[C@@H](C(=O
    )N[C@H](CCC(=O)C)C[C@@H]1CCNC1=O)NC(=O)[
    C@H](CNC(=O)C(C)(C)C)NC(=O)OCc2ccccc2    		 N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}pentyl]-L-leucinamide;
    TG-0204998
    45487
    ZU4
    ZINC000095921220    		 1 C18 H22 Cl N O InChI=1S/C18H22ClNO/c1-2-
    3-4-5-8-15-11-12-20(18(21
    )13-15)14-16-9-6-7-10-17(
    16)19/h6-7,9-13H,2-5,8,14
    H2,1H3;
    PJBRBZYHOXOPFM-UHFFFAOYSA-N    		 CCCCCCC1=CC(=O)N(C=C1)Cc2ccccc2Cl; CCCCC
    CC1=CC(=O)N(Cc2ccccc2Cl)C=C1; Clc1c(cccc
    1)CN2C=CC(=CC2=O)CCCCCC    		 1-(2-CHLOROBENZYL)-4-HEXYLPYRIDIN-2(1H)-ONE
    45488
    ZU5
    ZINC000058649880    		 1 C34 H52 N4 O7 InChI=1S/C34H52N4O7/c1-21
    (2)18-27(31(41)36-26(14-1
    5-28(39)24-12-13-24)19-25
    -16-17-35-30(25)40)37-32(
    42)29(22(3)45-34(4,5)6)38
    -33(43)44-20-23-10-8-7-9-
    11-23/h7-11,21-22,24-27,2
    9H,12-20H2,1-6H3,(H,35,40
    )(H,36,41)(H,37,42)(H,38,
    43)/t22-,25+,26-,27+,29+/
    m1/s1;
    QIMPWBPEAHOISN-XSLDCGIXSA-N    		 C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N
    [C@H](CCC(=O)C1CC1)C[C@@H]2CCNC2=O)NC(=O
    )OCc3ccccc3)OC(C)(C)C; O=C(OCc1ccccc1)NC
    (C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)C3C
    C3)CC(C)C)C(OC(C)(C)C)C; CC(C)CC(C(=O)NC
    (CCC(=O)C1CC1)CC2CCNC2=O)NC(=O)C(C(C)OC(
    C)(C)C)NC(=O)OCc3ccccc3; CC(C)C[CH](NC(=
    O)[CH](NC(=O)OCc1ccccc1)[CH](C)OC(C)(C)C
    )C(=O)N[CH](CCC(=O)C2CC2)C[CH]3CCNC3=O;
    CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc
    1)[C@@H](C)OC(C)(C)C)C(=O)N[C@H](CCC(=O)
    C2CC2)C[C@@H]3CCNC3=O    		 N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-[(1R)-4-cyclopropyl-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}butyl]-L-leucinamide;
    TG-0205486
    45489
    ZU6    		 1 C14 H15 N3 O4 InChI=1S/C14H15N3O4/c1-15
    -12(18)8-17-11(6-7-13(19)
    20)16-10-5-3-2-4-9(10)14(
    17)21/h2-5H,6-8H2,1H3,(H,
    15,18)(H,19,20);
    DEMTVGMQPPAESO-UHFFFAOYSA-N    		 CNC(=O)CN1C(=Nc2ccccc2C1=O)CCC(=O)O; O=C
    (O)CCC1=Nc2ccccc2C(=O)N1CC(=O)NC; CNC(=O
    )CN1C(=O)c2ccccc2N=C1CCC(O)=O    		 3-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid
    45490
    ZU7
    ZINC000019371019    		 0 C12 H16 F N3 O InChI=1S/C12H16FN3O/c13-1
    0-1-3-11(4-2-10)15-12(17)
    9-16-7-5-14-6-8-16/h1-4,1
    4H,5-9H2,(H,15,17);
    ICEIGLHBKQEEMG-UHFFFAOYSA-N    		 Fc1ccc(NC(=O)CN2CCNCC2)cc1; O=C(CN1CCNCC
    1)Nc1ccc(F)cc1; c1cc(ccc1NC(=O)CN2CCNCC2
    )F    		 N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide
    45491
    ZU9    		 1 C20 H19 N3 O4 InChI=1S/C20H19N3O4/c24-1
    8(21-12-14-6-2-1-3-7-14)1
    3-23-17(10-11-19(25)26)22
    -16-9-5-4-8-15(16)20(23)2
    7/h1-9H,10-13H2,(H,21,24)
    (H,25,26);
    QZFFZTYIGSWGJT-UHFFFAOYSA-N    		 c1ccc(cc1)CNC(=O)CN2C(=Nc3ccccc3C2=O)CCC
    (=O)O; O=C(O)CCC1=Nc2ccccc2C(=O)N1CC(=O)
    NCc1ccccc1; OC(=O)CCC1=Nc2ccccc2C(=O)N1C
    C(=O)NCc3ccccc3    		 3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid
    45492
    ZUC
    ZINC000097233745    		 1 C13 H11 F N2 O2 InChI=1S/C13H11FN2O2/c1-8
    -3-2-4-11(17)12(8)16-13(1
    8)9-5-6-15-7-10(9)14/h2-7
    ,17H,1H3,(H,16,18);
    PDGRBWXZTBUJKY-UHFFFAOYSA-N    		 Cc1cccc(O)c1NC(=O)c2ccncc2F; O=C(Nc1c(C)
    cccc1O)c1ccncc1F; Cc1cccc(c1NC(=O)c2ccnc
    c2F)O    		 3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide
    45493
    ZUD    		 2 C25 H36 N6 O4 S InChI=1S/C25H36N6O4S/c1-5
    -8-20-22-23(31(4)29-20)25
    (32)28-24(27-22)19-16-18(
    10-11-21(19)35-15-6-2)36(
    33,34)26-13-12-17-9-7-14-
    30(17)3/h10-11,16-17,26H,
    5-9,12-15H2,1-4H3,(H,27,2
    8,32)/t17-/m1/s1;
    IYFNEFQTYQPVOC-QGZVFWFLSA-N    		 CCCOc1ccc(cc1C2=NC(=O)c3n(C)nc(CCC)c3N2)
    [S](=O)(=O)NCC[CH]4CCCN4C; CN1CCCC1CCNS(
    =O)(=O)c1cc(C2=NC(=O)c3c(N2)c(nn3C)CCC)c
    (OCCC)cc1; CCCc1c2c(n(n1)C)C(=O)N=C(N2)c
    3cc(ccc3OCCC)S(=O)(=O)NCCC4CCCN4C; CCCc1
    c2c(n(n1)C)C(=O)N=C(N2)c3cc(ccc3OCCC)S(=
    O)(=O)NCC[C@H]4CCCN4C; CCCOc1ccc(cc1C2=N
    C(=O)c3n(C)nc(CCC)c3N2)[S](=O)(=O)NCC[C@
    H]4CCCN4C    		 Udenafil;
    (3P)-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}-4-propoxybenzene-1-sulfonamide
    45494
    ZUE    		 1 C21 H20 Cl N3 O5 InChI=1S/C21H20ClN3O5/c1-
    30-16-8-3-2-5-13(16)11-23
    -18(26)12-25-17(9-10-19(2
    7)28)24-20-14(21(25)29)6-
    4-7-15(20)22/h2-8H,9-12H2
    ,1H3,(H,23,26)(H,27,28);
    YLHSFRZHEMHKAF-UHFFFAOYSA-N    		 COc1ccccc1CNC(=O)CN1C(=Nc2c(cccc2Cl)C1=O
    )CCC(=O)O; COc1ccccc1CNC(=O)CN2C(=Nc3c(c
    ccc3Cl)C2=O)CCC(=O)O; COc1ccccc1CNC(=O)C
    N2C(=O)c3cccc(Cl)c3N=C2CCC(O)=O    		 3-[8-chloro-3-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanoic acid
    45495
    ZUF
    CHEMBL546826
    ZINC000000613579    		 1 C13 H9 Cl N4 S InChI=1S/C13H9ClN4S/c14-9
    -4-5-12(16-7-9)18-13-17-1
    1(8-19-13)10-3-1-2-6-15-1
    0/h1-8H,(H,16,17,18);
    XIMLXPRKZACEAD-UHFFFAOYSA-N    		 Clc1ccc(Nc2scc(n2)c3ccccn3)nc1; c1ccnc(c
    1)c2csc(n2)Nc3ccc(cn3)Cl    		 ~{N}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
    45496
    ZUG
    ZINC000004208850    		 5 C7 H10 N2 O2 S InChI=1S/C7H10N2O2S/c1-9(
    2)12(10,11)7-4-3-5-8-6-7/
    h3-6H,1-2H3;
    HGZULNNLLFYOFI-UHFFFAOYSA-N    		 CN(C)[S](=O)(=O)c1cccnc1; O=S(=O)(c1cccn
    c1)N(C)C; CN(C)S(=O)(=O)c1cccnc1    		 N,N-dimethylpyridine-3-sulfonamide
    45497
    ZUI
    CHEMBL4874579    		 2 C22 H23 Cl N4 O3 InChI=1S/C22H23ClN4O3/c1-
    15-13-27(22(29)25-21(15)2
    8)18-5-7-26(8-6-18)14-16-
    9-20(12-24-11-16)30-19-4-
    2-3-17(23)10-19/h2-4,9-13
    ,18H,5-8,14H2,1H3,(H,25,2
    8,29);
    RNTPQXGZOHDUAY-UHFFFAOYSA-N    		 CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cc(cnc3)O
    c4cccc(c4)Cl; CC1=CN(C2CCN(CC2)Cc3cncc(O
    c4cccc(Cl)c4)c3)C(=O)NC1=O    		 1-[1-[[5-(3-chloranylphenoxy)pyridin-3-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione
    45498
    ZUJ    		 1 C17 H16 N2 O6 S InChI=1S/C17H16N2O6S/c18-
    26(22,23)14-6-3-12(4-7-14
    )19-16(20)10-24-13-5-1-11
    -2-8-17(21)25-15(11)9-13/
    h1,3-7,9H,2,8,10H2,(H,19,
    20)(H2,18,22,23);
    VZWHIVSDDFPQBV-UHFFFAOYSA-N    		 NS(=O)(=O)c1ccc(cc1)NC(=O)COc1ccc2CCC(=O
    )Oc2c1; N[S](=O)(=O)c1ccc(NC(=O)COc2ccc3
    CCC(=O)Oc3c2)cc1; c1cc(ccc1NC(=O)COc2ccc
    3c(c2)OC(=O)CC3)S(=O)(=O)N    		 2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide;
    coumarin benzene sulfonamide SG1-51
    45499
    ZUK
    ZINC000058649883    		 0 C9 H13 N3 O2 InChI=1S/C9H13N3O2/c10-7(
    9(13)14)3-1-4-8-11-5-2-6-
    12-8/h2,5-7H,1,3-4,10H2,(
    H,13,14)/t7-/m1/s1;
    UREVLRRGQRTHIJ-SSDOTTSWSA-N    		 c1cnc(nc1)CCC[C@H](C(=O)O)N; N[C@H](CCCc
    1ncccn1)C(O)=O; O=C(O)C(N)CCCc1ncccn1; N
    [CH](CCCc1ncccn1)C(O)=O; c1cnc(nc1)CCCC(
    C(=O)O)N    		 5-pyrimidin-2-yl-D-norvaline
    45500
    ZUL    		 1 C19 H14 F N O2 InChI=1S/C19H14FNO2/c20-1
    5-9-10-17(19(22)23)18(12-
    15)21-16-8-4-7-14(11-16)1
    3-5-2-1-3-6-13/h1-12,21H,
    (H,22,23);
    JGUSPMKKPPHSQY-UHFFFAOYSA-N    		 c1ccc(cc1)c2cccc(c2)Nc3cc(ccc3C(=O)O)F;
    OC(=O)c1ccc(F)cc1Nc2cccc(c2)c3ccccc3    		 4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid
    45501
    ZUN    		 4 C18 H22 N4 O6 InChI=1S/C18H22N4O6/c1-11
    -6-15(28-20-11)8-17(24)21
    -10-14(23)7-16(21)18(25)1
    9-9-12-2-4-13(5-3-12)22(2
    6)27/h2-6,14,16,23,26-27H
    ,7-10H2,1H3,(H,19,25)/t14
    -,16+/m1/s1;
    WJYVXCQUWDPFNN-ZBFHGGJFSA-N    		 Cc1cc(on1)CC(=O)N2CC(CC2C(=O)NCc3ccc(cc3
    )N(O)O)O; Cc1cc(on1)CC(=O)N2C[C@@H](C[C@
    H]2C(=O)NCc3ccc(cc3)N(O)O)O; O=C(N2C(C(=
    O)NCc1ccc(N(O)O)cc1)CC(O)C2)Cc3onc(c3)C;
    Cc1cc(CC(=O)N2C[CH](O)C[CH]2C(=O)NCc3cc
    c(cc3)N(O)O)on1; Cc1cc(CC(=O)N2C[C@H](O)
    C[C@H]2C(=O)NCc3ccc(cc3)N(O)O)on1    		 (4R)-N-[4-(DIHYDROXYAMINO)BENZYL]-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE
    45502
    ZUO    		 1 C19 H25 N7 O2 InChI=1S/C19H25N7O2/c1-12
    -10-27-7-5-25(12)15-9-16(
    26-6-8-28-11-13(26)2)21-1
    9-17(15)22-18(23-19)14-3-
    4-20-24-14/h3-4,9,12-13H,
    5-8,10-11H2,1-2H3,(H,20,2
    4)(H,21,22,23)/t12-,13+/m
    1/s1;
    LXQPWBFVIIXOMV-OLZOCXBDSA-N    		 C[C@H]1COCCN1c2cc(N3CCOC[C@H]3C)c4nc([nH
    ]c4n2)c5cc[nH]n5; CC1COCCN1c1cc(nc2[NH]c
    (nc21)c1cc[NH]n1)N1CCOCC1C; CC1COCCN1c2c
    c(nc3c2nc([nH]3)c4cc[nH]n4)N5CCOCC5C; C[
    C@@H]1COCCN1c2cc(nc3c2nc([nH]3)c4cc[nH]n
    4)N5CCOC[C@@H]5C; C[CH]1COCCN1c2cc(N3CCO
    C[CH]3C)c4nc([nH]c4n2)c5cc[nH]n5    		 (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine
    45503
    ZUP    		 2 C20 H18 N2 O3 InChI=1S/C20H18N2O3/c23-2
    0(24)18-10-5-12-21-19(18)
    22-16-8-4-9-17(14-16)25-1
    3-11-15-6-2-1-3-7-15/h1-1
    0,12,14H,11,13H2,(H,21,22
    )(H,23,24);
    RPAUBABQNGCBRR-UHFFFAOYSA-N    		 OC(=O)c1cccnc1Nc2cccc(OCCc3ccccc3)c2; c1
    ccc(cc1)CCOc2cccc(c2)Nc3c(cccn3)C(=O)O    		 2-[[3-(2-phenylethoxy)phenyl]amino]pyridine-3-carboxylic acid
    45504
    ZUQ
    CHEMBL3818173
    ZINC000584905725    		 1 C15 H13 Cl N4 O3 InChI=1S/C15H13ClN4O3/c16
    -10-6-18-15-13(22-7-23-15
    )12(10)19-9-3-4-17-11(5-9
    )20-14(21)8-1-2-8/h3-6,8H
    ,1-2,7H2,(H2,17,18,19,20,
    21);
    WJASKODGMHBDFO-UHFFFAOYSA-N    		 c1cnc(cc1Nc2c(cnc3c2OCO3)Cl)NC(=O)C4CC4;
    Clc1cnc2OCOc2c1Nc3ccnc(NC(=O)C4CC4)c3    		 N-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-2-pyridyl]cyclopropanecarboxamide
    45505
    ZUS    		 1 C18 H16 N2 O6 S InChI=1S/C18H16N2O6S/c19-
    27(23,24)15-6-1-12(2-7-15
    )10-20-17(21)11-25-14-5-3
    -13-4-8-18(22)26-16(13)9-
    14/h1-9H,10-11H2,(H,20,21
    )(H2,19,23,24);
    HEUYOCWZUGZHBD-UHFFFAOYSA-N    		 c1cc(ccc1CNC(=O)COc2ccc3c(c2)OC(=O)C=C3)
    S(=O)(=O)N; NS(=O)(=O)c1ccc(cc1)CNC(=O)C
    Oc1ccc2C=CC(=O)Oc2c1; N[S](=O)(=O)c1ccc(
    CNC(=O)COc2ccc3C=CC(=O)Oc3c2)cc1    		 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
    45506
    ZUT    		 1 C20 H16 F N O3 InChI=1S/C20H16FNO3/c21-1
    5-9-10-18(20(23)24)19(11-
    15)22-16-7-4-8-17(12-16)2
    5-13-14-5-2-1-3-6-14/h1-1
    2,22H,13H2,(H,23,24);
    SPDQLJLHAQECOP-UHFFFAOYSA-N    		 c1ccc(cc1)COc2cccc(c2)Nc3cc(ccc3C(=O)O)F
    ; OC(=O)c1ccc(F)cc1Nc2cccc(OCc3ccccc3)c2    		 4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid
    45507
    ZUV    		 4 C17 H31 F N O4 P InChI=1S/C17H31FNO4P/c1-3
    -5-14-19-17(20)22-15-12-1
    0-8-6-7-9-11-13-16-24(18,
    21)23-4-2/h1H,4-16H2,2H3,
    (H,19,20)/t24-/m1/s1;
    XPLTVISHLDPSGW-XMMPIXPASA-N    		 CCO[P](F)(=O)CCCCCCCCCCOC(=O)NCCC#C; CCO
    [P@](F)(=O)CCCCCCCCCCOC(=O)NCCC#C; CCO[P
    @](=O)(CCCCCCCCCCOC(=O)NCCC#C)F; FP(=O)(
    CCCCCCCCCCOC(=O)NCCC#C)OCC; CCOP(=O)(CCC
    CCCCCCCOC(=O)NCCC#C)F    		 ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate
    45508
    ZUW
    ZINC000064541990    		 1 C11 H13 N O2 InChI=1S/C11H13NO2/c1-9(1
    3)12-6-7-14-11-5-3-2-4-10
    (11)8-12/h2-5H,6-8H2,1H3;
    SCYVZWVJHDZYSQ-UHFFFAOYSA-N    		 CC(=O)N1Cc2ccccc2OCC1; CC(=O)N1CCOc2cccc
    c2C1    		 1-(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)ethan-1-one
    45509
    ZUY    		 5 C19 H21 N5 S InChI=1S/C19H21N5S/c1-5-6
    -7-8-24-18-15(17(20)21-11
    -22-18)23-19(24)25-16-13(
    3)9-12(2)10-14(16)4/h1,9-
    11H,6-8H2,2-4H3,(H2,20,21
    ,22);
    FFJTXDGAXOSYBK-UHFFFAOYSA-N    		 Cc1cc(C)c(Sc2nc3c(N)ncnc3n2CCCC#C)c(C)c1
    ; Cc1cc(C)cc(C)c1Sc1nc2c(N)ncnc2n1CCCC#C
    ; Cc1cc(c(c(c1)C)Sc2nc3c(ncnc3n2CCCC#C)N
    )C    		 9-(pent-4-yn-1-yl)-8-[(2,4,6-trimethylphenyl)sulfanyl]-9H-purin-6-amine
    45510
    ZUZ
    ZINC000001467774    		 1 C10 H17 N O3 InChI=1S/C10H17NO3/c1-14-
    9(12)7-11-10(13)8-5-3-2-4
    -6-8/h8H,2-7H2,1H3,(H,11,
    13);
    ANWVRESNPYHPKG-UHFFFAOYSA-N    		 O=C(NCC(=O)OC)C1CCCCC1; COC(=O)CNC(=O)C1
    CCCCC1    		 methyl N-(cyclohexanecarbonyl)glycinate
    45511
    ZV1    		 2 C23 H26 F N5 O6 InChI=1S/C23H26FN5O6/c24-
    15-12-13(5-6-14(15)20(32)
    26-17(22(34)35)7-8-18(30)
    31)4-2-1-3-10-29-11-9-16-
    19(29)21(33)28-23(25)27-1
    6/h5-6,9,11-12,17H,1-4,7-
    8,10H2,(H,26,32)(H,30,31)
    (H,34,35)(H3,25,27,28,33)
    /t17-/m1/s1;
    SPSKTOLBULFCQW-QGZVFWFLSA-N    		 NC1=Nc2ccn(CCCCCc3ccc(c(F)c3)C(=O)N[C@H]
    (CCC(O)=O)C(O)=O)c2C(=O)N1; c1cc(c(cc1CC
    CCCn2ccc3c2C(=O)NC(=N3)N)F)C(=O)NC(CCC(=
    O)O)C(=O)O; NC1=Nc2ccn(CCCCCc3ccc(c(F)c3
    )C(=O)N[CH](CCC(O)=O)C(O)=O)c2C(=O)N1; O
    =C(O)C(CCC(=O)O)NC(=O)c1ccc(cc1F)CCCCCn1
    ccc2N=C(N)NC(=O)c21; c1cc(c(cc1CCCCCn2cc
    c3c2C(=O)NC(=N3)N)F)C(=O)N[C@H](CCC(=O)O
    )C(=O)O    		 N-{4-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]-2-fluorobenzoyl}-D-glutamic acid
    45512
    ZV2    		 2 C11 H11 F N3 O S InChI=1S/C11H11FN3OS/c12-
    8-1-3-9(4-2-8)14-10(16)7-
    15-5-6-17-11(15)13/h1-6H,
    7,13H2,(H,14,16);
    DBANAUMFACXVKZ-UHFFFAOYSA-N    		 Nc1scc[n]1CC(=O)Nc2ccc(F)cc2; c1cc(ccc1N
    C(=O)C[N]2=C(SC=C2)N)F    		 2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide
    45513
    ZV4
    ZINC000013650361    		 0 C9 H12 N O5 P InChI=1S/C9H12NO5P/c10-8(
    9(11)12)5-6-1-3-7(4-2-6)1
    6(13,14)15/h1-4,8H,5,10H2
    ,(H,11,12)(H2,13,14,15)/t
    8-/m0/s1;
    DGIHNAYKZDFPPV-QMMMGPOBSA-N    		 N[C@@H](Cc1ccc(cc1)[P](O)(O)=O)C(O)=O; c
    1cc(ccc1C[C@@H](C(=O)O)N)P(=O)(O)O; N[CH
    ](Cc1ccc(cc1)[P](O)(O)=O)C(O)=O; c1cc(cc
    c1CC(C(=O)O)N)P(=O)(O)O    		 (2S)-2-azanyl-3-(4-phosphonophenyl)propanoic acid;
    phosphophenylalanine
    45514
    ZV5
    ZINC000022014935    		 5 C7 H11 N3 O2 InChI=1S/C7H11N3O2/c11-5-
    7(10-6(12)9-5)2-1-3-8-4-7
    /h8H,1-4H2,(H2,9,10,11,12
    )/t7-/m1/s1;
    PLFDWSDBRBNQLQ-SSDOTTSWSA-N    		 O=C1NC(=O)[C]2(CCCNC2)N1; C1CC2(CNC1)C(=
    O)NC(=O)N2; C1C[C@@]2(CNC1)C(=O)NC(=O)N2
    ; O=C1NC(=O)NC21CCCNC2; O=C1NC(=O)[C@]2(
    CCCNC2)N1    		 (5R)-1,3,7-triazaspiro[4.5]decane-2,4-dione
    45515
    ZV7    		 0 C5 H9 Cl N2 O2 InChI=1S/C5H9ClN2O2/c6-4-
    5(10)8(7)2-1-3-9/h3H,1-2,
    4,7H2;
    QFHNLZAUZFBCAM-UHFFFAOYSA-N    		 C(CN(C(=O)CCl)N)C=O; NN(CCC=O)C(=O)CCl;
    ClCC(=O)N(N)CCC=O    		 2-chloro-N-(3-oxopropyl)acetohydrazide
    45516
    ZV8
    ZINC000095910876    		 1 C11 H17 N3 InChI=1S/C11H17N3/c1-11(2
    ,3)10-13-7-8-6-12-5-4-9(8
    )14-10/h7,12H,4-6H2,1-3H3;
    TXNXUFABOGCLLO-UHFFFAOYSA-N    		 CC(C)(C)c1ncc2CNCCc2n1; CC(C)(C)c1ncc2c(
    n1)CCNC2    		 2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
    45517
    ZVA    		 4 C21 H24 F N7 O2 InChI=1S/C21H24FN7O2/c1-1
    2(2)28-16-6-18(29-19-14(9
    -27-29)5-13(7-23)8-25-19)
    24-10-15(16)20(30)26-11-1
    7(22)21(3,4)31/h5-6,8-10,
    12,17,31H,11H2,1-4H3,(H,2
    4,28)(H,26,30)/t17-/m1/s1;
    KXZCEDGLILHLAT-QGZVFWFLSA-N    		 CC(C)Nc1cc(ncc1C(=O)NCC(C(C)(C)O)F)n2c3c
    (cc(cn3)C#N)cn2; CC(C)Nc1cc(ncc1C(=O)NC[
    CH](F)C(C)(C)O)n2ncc3cc(cnc23)C#N; CC(C)
    Nc1cc(ncc1C(=O)NC[C@H](C(C)(C)O)F)n2c3c(
    cc(cn3)C#N)cn2; CC(C)Nc1cc(ncc1C(=O)NC[C
    @@H](F)C(C)(C)O)n2ncc3cc(cnc23)C#N; CC(C
    )(O)C(F)CNC(=O)c1cnc(cc1NC(C)C)n1ncc2cc(
    cnc21)C#N    		 (6M)-6-(5-cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide
    45518
    ZVB    		 0 C10 H12 N2 InChI=1S/C10H12N2/c1-7(2)
    9-6-10-8(12-9)4-3-5-11-10
    /h3-7,12H,1-2H3;
    OKEHFANNANVSEO-UHFFFAOYSA-N    		 CC(C)c1cc2c([nH]1)cccn2; CC(C)c1cc2ncccc
    2[NH]1; CC(C)c1[nH]c2cccnc2c1    		 2-(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine
    45519
    ZVD    		 4 C18 H24 F2 N6 O2 InChI=1S/C18H24F2N6O2/c1-
    10(2)25-13-5-15(26-16-12(
    19)7-21-9-24-16)22-6-11(1
    3)17(27)23-8-14(20)18(3,4
    )28/h5-7,9-10,14,28H,8H2,
    1-4H3,(H,23,27)(H2,21,22,
    24,25,26)/t14-/m1/s1;
    STMUIBGUZVAURD-CQSZACIVSA-N    		 CC(C)Nc1cc(Nc2ncncc2F)ncc1C(=O)NC[C@@H](
    F)C(C)(C)O; CC(C)Nc1cc(ncc1C(=O)NCC(C(C)
    (C)O)F)Nc2c(cncn2)F; CC(C)Nc1cc(ncc1C(=O
    )NC[C@H](C(C)(C)O)F)Nc2c(cncn2)F; CC(C)N
    c1cc(Nc2ncncc2F)ncc1C(=O)NC[CH](F)C(C)(C
    )O; Fc1cncnc1Nc1cc(NC(C)C)c(cn1)C(=O)NCC
    (F)C(C)(C)O    		 N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(5-fluoropyrimidin-4-yl)amino]-4-[(propan-2-yl)amino]pyridine-3-carboxamide
    45520
    ZVE
    ZINC000238860517    		 1 C10 H14 F3 N3 InChI=1S/C10H14F3N3/c1-16
    -6-8(10(11,12)13)15-9(16)
    7-3-2-4-14-5-7/h6-7,14H,2
    -5H2,1H3/t7-/m1/s1;
    ZPUMPEAGLZCEBQ-SSDOTTSWSA-N    		 Cn1cc(nc1C1CNCCC1)C(F)(F)F; Cn1cc(nc1C2C
    CCNC2)C(F)(F)F; Cn1cc(nc1[C@@H]2CCCNC2)C
    (F)(F)F; Cn1cc(nc1[CH]2CCCNC2)C(F)(F)F    		 (3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
    45521
    ZVG    		 2 C19 H24 F N7 O2 InChI=1S/C19H24FN7O2/c1-1
    1(2)26-14-5-16(27-18-24-7
    -12(6-21)8-25-18)22-9-13(
    14)17(28)23-10-15(20)19(3
    ,4)29/h5,7-9,11,15,29H,10
    H2,1-4H3,(H,23,28)(H2,22,
    24,25,26,27)/t15-/m1/s1;
    UFIWUTUQZFYHKK-OAHLLOKOSA-N    		 CC(C)Nc1cc(ncc1C(=O)NC[C@H](C(C)(C)O)F)N
    c2ncc(cn2)C#N; CC(C)Nc1cc(Nc2ncc(cn2)C#N
    )ncc1C(=O)NC[C@@H](F)C(C)(C)O; CC(C)Nc1c
    c(Nc2ncc(cn2)C#N)ncc1C(=O)NC[CH](F)C(C)(
    C)O; CC(C)Nc1cc(ncc1C(=O)NCC(C(C)(C)O)F)
    Nc2ncc(cn2)C#N; CC(C)(O)C(F)CNC(=O)c1cnc
    (Nc2ncc(cn2)C#N)cc1NC(C)C    		 6-[(5-cyanopyrimidin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide
    45522
    ZVH    		 1 C10 H12 O2 S InChI=1S/C10H12O2S/c11-10
    (12)9-3-1-2-8(9)7-4-5-13-
    6-7/h4-6,8-9H,1-3H2,(H,11
    ,12)/t8-,9-/m0/s1;
    GTNCFHPRVUWUBC-IUCAKERBSA-N    		 c1cscc1C2CCCC2C(=O)O; OC(=O)[C@H]1CCC[C@
    H]1c2cscc2; O=C(O)C1CCCC1c1ccsc1; OC(=O)
    [CH]1CCC[CH]1c2cscc2; c1cscc1[C@@H]2CCC[
    C@@H]2C(=O)O    		 (1S,2R)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid
    45523
    ZVJ
    CHEMBL389390
    ZINC000000057321    		 1 C17 H21 N O4 InChI=1S/C17H21NO4/c1-11(
    6-12-2-4-14(19)5-3-12)18-
    10-17(22)13-7-15(20)9-16(
    21)8-13/h2-5,7-9,11,17-22
    H,6,10H2,1H3/t11-,17+/m0/
    s1;
    LSLYOANBFKQKPT-APPDUMDISA-N    		 CC(Cc1ccc(cc1)O)NCC(c2cc(cc(c2)O)O)O; C[
    C@@H](Cc1ccc(cc1)O)NC[C@H](c2cc(cc(c2)O)
    O)O; C[CH](Cc1ccc(O)cc1)NC[CH](O)c2cc(O)
    cc(O)c2; Oc1cc(cc(O)c1)C(O)CNC(C)Cc1ccc(
    O)cc1; C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c
    2cc(O)cc(O)c2    		 Fenoterol
    45524
    ZVK    		 0 C12 H18 N2 S InChI=1S/C12H18N2S/c1-4-1
    0-6-8-11(9-7-10)14-12(13-
    3)15-5-2/h6-9H,4-5H2,1-3H
    3,(H,13,14);
    ZUMALHSBJIUQMI-UHFFFAOYSA-N    		 CCSC(NC)=Nc1ccc(CC)cc1; CNC(/SCC)=N/c1cc
    c(cc1)CC; CCc1ccc(cc1)N=C(NC)SCC; CCc1cc
    c(cc1)/N=C(/NC)\SCC    		 ethyl N'-(4-ethylphenyl)-N-methylcarbamimidothioate
    45525
    ZVM    		 1 C22 H21 N3 O2 InChI=1S/C22H21N3O2/c1-24
    -17-13-6-5-12-16(17)19(26
    )18-21(24)23-20(14-8-7-9-
    14)25(22(18)27)15-10-3-2-
    4-11-15/h2-6,10-14,18,20H
    ,7-9H2,1H3/t18?,20-/m0/s1;
    HIWASGKNWCATJA-IJHRGXPZSA-N    		 O=C1C2C(=O)c3ccccc3N(C)C2=NC(C2CCC2)N1c1
    ccccc1; CN1c2ccccc2C(=O)C3C1=NC(N(C3=O)c
    4ccccc4)C5CCC5; CN1c2ccccc2C(=O)[CH]3C(=
    O)N([CH](N=C13)C4CCC4)c5ccccc5; CN1c2ccc
    cc2C(=O)[C@H]3C(=O)N([C@H](N=C13)C4CCC4)
    c5ccccc5    		 (2S,4aS)-2-cyclobutyl-10-methyl-3-phenyl-2,10-dihydropyrimido[4,5-b]quinoline-4,5(3H,4aH)-dione
    45526
    ZVN
    CHEMBL1702558
    ZINC000000242024    		 1 C11 H13 N3 S InChI=1S/C11H13N3S/c1-2-4
    -10-9(3-1)13-11(15-10)14-
    7-5-12-6-8-14/h1-4,12H,5-
    8H2;
    LLQMZXMBCQNMJV-UHFFFAOYSA-N    		 c1ccc2c(c1)nc(s2)N3CCNCC3; c1cccc2sc(nc1
    2)N1CCNCC1; C1CN(CCN1)c2sc3ccccc3n2    		 2-(piperazin-1-yl)-1,3-benzothiazole
    45527
    ZVO
    ZINC000584905718    		 1 C8 H8 N6 InChI=1S/C8H8N6/c1-14-8-5
    -4(6(9)13-14)2-10-7(5)11-
    3-12-8/h2-3H,1H3,(H2,9,13
    )(H,10,11,12);
    AJJBAXSCYXENBJ-UHFFFAOYSA-N    		 CN1N=C(N)c2c[nH]c3ncnc1c23; CN1c2c3c(c[n
    H]c3ncn2)C(=N1)N    		 5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine
    45528
    ZVP    		 2 C26 H24 N4 O5 S InChI=1S/C26H24N4O5S/c31-
    20-12-22(30-6-4-27-5-7-30
    )35-24-19(15-36-25(20)24)
    17-10-18(23-21(11-17)33-8
    -9-34-23)26(32)29-14-16-2
    -1-3-28-13-16/h1-3,10-13,
    15,27H,4-9,14H2,(H,29,32);
    AECKABHTJWABMG-UHFFFAOYSA-N    		 c1cc(cnc1)CNC(=O)c2cc(cc3c2OCCO3)c4csc5c
    4OC(=CC5=O)N6CCNCC6; C6Oc1c(cc(cc1C(NCc2
    cnccc2)=O)c5c4c(C(C=C(N3CCNCC3)O4)=O)sc5
    )OC6; O=C(NCc1cccnc1)c2cc(cc3OCCOc23)c4c
    sc5C(=O)C=C(Oc45)N6CCNCC6    		 7-[7-oxo-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
    45529
    ZVR    		 6 C21 H22 F N5 O6 InChI=1S/C21H22FN5O6/c22-
    13-10-11(2-1-8-27-9-7-14-
    17(27)19(31)26-21(23)25-1
    4)3-4-12(13)18(30)24-15(2
    0(32)33)5-6-16(28)29/h3-4
    ,7,9-10,15H,1-2,5-6,8H2,(
    H,24,30)(H,28,29)(H,32,33
    )(H3,23,25,26,31)/t15-/m0
    /s1;
    VOXSIQHYUGLGIP-HNNXBMFYSA-N    		 NC1=Nc2ccn(CCCc3ccc(c(F)c3)C(=O)N[CH](CC
    C(O)=O)C(O)=O)c2C(=O)N1; O=C(O)C(CCC(=O)
    O)NC(=O)c1ccc(cc1F)CCCn1ccc2N=C(N)NC(=O)
    c21; c1cc(c(cc1CCCn2ccc3c2C(=O)NC(=N3)N)
    F)C(=O)NC(CCC(=O)O)C(=O)O; c1cc(c(cc1CCC
    n2ccc3c2C(=O)NC(=N3)N)F)C(=O)N[C@@H](CCC
    (=O)O)C(=O)O; NC1=Nc2ccn(CCCc3ccc(c(F)c3
    )C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2C(=O)N1    		 N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]-2-fluorobenzoyl}-L-glutamic acid
    45530
    ZVS
    ZINC000015001346    		 1 C21 H20 F4 N4 O2 S InChI=1S/C21H20F4N4O2S/c1
    -13(26-19(30)16-5-3-4-6-1
    7(16)21(23,24)25)18-27-28
    -20(29(18)2)32-12-11-31-1
    5-9-7-14(22)8-10-15/h3-10
    ,13H,11-12H2,1-2H3,(H,26,
    30)/t13-/m0/s1;
    MFAPRDBSWRWQBP-ZDUSSCGKSA-N    		 C[CH](NC(=O)c1ccccc1C(F)(F)F)c2nnc(SCCOc
    3ccc(F)cc3)n2C; C[C@H](NC(=O)c1ccccc1C(F
    )(F)F)c2nnc(SCCOc3ccc(F)cc3)n2C; C[C@@H]
    (c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccccc
    3C(F)(F)F; FC(F)(F)c1ccccc1C(=O)NC(c3nnc
    (SCCOc2ccc(F)cc2)n3C)C; CC(c1nnc(n1C)SCC
    Oc2ccc(cc2)F)NC(=O)c3ccccc3C(F)(F)F    		 N-[1-(5-{[2-(4-FLUOROPHENOXY)ETHYL]SULFANYL}-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)ETHYL]-2-(TRIFLUOROMETHYL)BENZAMIDE
    45531
    ZVT
    ZINC000095920543    		 2 C20 H20 Cl F N4 O2 S InChI=1S/C20H20ClFN4O2S/c
    1-13(23-19(27)16-5-3-4-6-
    17(16)21)18-24-25-20(26(1
    8)2)29-12-11-28-15-9-7-14
    (22)8-10-15/h3-10,13H,11-
    12H2,1-2H3,(H,23,27)/t13-
    /m0/s1;
    AJRDSERGUKXARL-ZDUSSCGKSA-N    		 CC(c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccc
    cc3Cl; Clc1ccccc1C(=O)NC(c3nnc(SCCOc2ccc
    (F)cc2)n3C)C; C[C@@H](c1nnc(n1C)SCCOc2cc
    c(cc2)F)NC(=O)c3ccccc3Cl; C[CH](NC(=O)c1
    ccccc1Cl)c2nnc(SCCOc3ccc(F)cc3)n2C; C[C@
    H](NC(=O)c1ccccc1Cl)c2nnc(SCCOc3ccc(F)cc
    3)n2C    		 2-chloro-N-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide
    45532
    ZVU
    ZINC000095920541    		 2 C20 H18 F4 N4 O S InChI=1S/C20H18F4N4OS/c1-
    12(25-18(29)15-5-3-4-6-16
    (15)20(22,23)24)17-26-27-
    19(28(17)2)30-11-13-7-9-1
    4(21)10-8-13/h3-10,12H,11
    H2,1-2H3,(H,25,29)/t12-/m
    0/s1;
    WAMHSAKMZVUOGV-LBPRGKRZSA-N    		 CC(c1nnc(n1C)SCc2ccc(cc2)F)NC(=O)c3ccccc
    3C(F)(F)F; C[C@@H](c1nnc(n1C)SCc2ccc(cc2
    )F)NC(=O)c3ccccc3C(F)(F)F; C[CH](NC(=O)c
    1ccccc1C(F)(F)F)c2nnc(SCc3ccc(F)cc3)n2C;
    C[C@H](NC(=O)c1ccccc1C(F)(F)F)c2nnc(SCc
    3ccc(F)cc3)n2C; FC(F)(F)c1ccccc1C(=O)NC(
    c3nnc(SCc2ccc(F)cc2)n3C)C    		 N-[1-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide
    45533
    ZVV
    ZINC000095921162    		 2 C22 H23 F3 N4 O2 S InChI=1S/C22H23F3N4O2S/c1
    -14-8-4-7-11-18(14)31-12-
    13-32-21-28-27-19(29(21)3
    )15(2)26-20(30)16-9-5-6-1
    0-17(16)22(23,24)25/h4-11
    ,15H,12-13H2,1-3H3,(H,26,
    30)/t15-/m0/s1;
    AERPCBWEQRGXHO-HNNXBMFYSA-N    		 C[CH](NC(=O)c1ccccc1C(F)(F)F)c2nnc(SCCOc
    3ccccc3C)n2C; Cc1ccccc1OCCSc2nnc(n2C)C(C
    )NC(=O)c3ccccc3C(F)(F)F; FC(F)(F)c1ccccc
    1C(=O)NC(c3nnc(SCCOc2ccccc2C)n3C)C; Cc1c
    cccc1OCCSc2nnc(n2C)[C@H](C)NC(=O)c3ccccc
    3C(F)(F)F; C[C@H](NC(=O)c1ccccc1C(F)(F)F
    )c2nnc(SCCOc3ccccc3C)n2C    		 N-[1-(4-methyl-5-{[2-(2-methylphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide
    45534
    ZVW
    ZINC000098209682    		 2 C27 H23 F5 N4 O2 S InChI=1S/C27H23F5N4O2S/c1
    -17(33-25(37)22-4-2-3-5-2
    3(22)27(30,31)32)24-34-35
    -26(36(24)16-18-6-8-19(28
    )9-7-18)39-15-14-38-21-12
    -10-20(29)11-13-21/h2-13,
    17H,14-16H2,1H3,(H,33,37)
    /t17-/m0/s1;
    SZVUNXFRJYHQBI-KRWDZBQOSA-N    		 C[CH](NC(=O)c1ccccc1C(F)(F)F)c2nnc(SCCOc
    3ccc(F)cc3)n2Cc4ccc(F)cc4; CC(c1nnc(n1Cc
    2ccc(cc2)F)SCCOc3ccc(cc3)F)NC(=O)c4ccccc
    4C(F)(F)F; C[C@@H](c1nnc(n1Cc2ccc(cc2)F)
    SCCOc3ccc(cc3)F)NC(=O)c4ccccc4C(F)(F)F;
    C[C@H](NC(=O)c1ccccc1C(F)(F)F)c2nnc(SCCO
    c3ccc(F)cc3)n2Cc4ccc(F)cc4; FC(F)(F)c1cc
    ccc1C(=O)NC(c3nnc(SCCOc2ccc(F)cc2)n3Cc4c
    cc(F)cc4)C    		 N-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide
    45535
    ZVX
    ZINC000095920542    		 2 C20 H19 F3 N4 O2 S InChI=1S/C20H19F3N4O2S/c1
    -12(24-19(28)17-15(22)4-3
    -5-16(17)23)18-25-26-20(2
    7(18)2)30-11-10-29-14-8-6
    -13(21)7-9-14/h3-9,12H,10
    -11H2,1-2H3,(H,24,28)/t12
    -/m0/s1;
    OUIZIUPLGXONEI-LBPRGKRZSA-N    		 CC(c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3c(c
    ccc3F)F; C[C@H](NC(=O)c1c(F)cccc1F)c2nnc
    (SCCOc3ccc(F)cc3)n2C; C[C@@H](c1nnc(n1C)
    SCCOc2ccc(cc2)F)NC(=O)c3c(cccc3F)F; C[CH
    ](NC(=O)c1c(F)cccc1F)c2nnc(SCCOc3ccc(F)c
    c3)n2C; Fc1cccc(F)c1C(=O)NC(c3nnc(SCCOc2
    ccc(F)cc2)n3C)C    		 2,6-difluoro-N-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide
    45536
    ZVY
    ZINC000095920926    		 2 C25 H24 N4 O3 InChI=1S/C25H24N4O3/c26-1
    6-19-4-6-20(7-5-19)23-9-8
    -22(32-18-25(30)31)15-21(
    23)17-28-11-13-29(14-12-2
    8)24-3-1-2-10-27-24/h1-10
    ,15H,11-14,17-18H2,(H,30,
    31);
    AKNGILSRJWORBU-UHFFFAOYSA-N    		 O=C(O)COc2cc(c(c1ccc(C#N)cc1)cc2)CN4CCN(
    c3ncccc3)CC4; c1ccnc(c1)N2CCN(CC2)Cc3cc(
    ccc3c4ccc(cc4)C#N)OCC(=O)O; OC(=O)COc1cc
    c(c(CN2CCN(CC2)c3ccccn3)c1)c4ccc(cc4)C#N    		 2-[4-(4-cyanophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]acetic acid
    45537
    ZVZ
    ZINC000095921404    		 2 C26 H27 N5 O2 InChI=1S/C26H27N5O2/c1-28
    -26(32)19-33-23-9-10-24(2
    1-7-5-20(17-27)6-8-21)22(
    16-23)18-30-12-14-31(15-1
    3-30)25-4-2-3-11-29-25/h2
    -11,16H,12-15,18-19H2,1H3
    ,(H,28,32);
    MATAFJDAEJJYTE-UHFFFAOYSA-N    		 CNC(=O)COc1ccc(c(c1)CN2CCN(CC2)c3ccccn3)
    c4ccc(cc4)C#N; CNC(=O)COc1ccc(c(CN2CCN(C
    C2)c3ccccn3)c1)c4ccc(cc4)C#N; N#Cc4ccc(c
    1c(cc(OCC(=O)NC)cc1)CN3CCN(c2ncccc2)CC3)
    cc4    		 2-[4-(4-CYANOPHENYL)-3-{[4-(PYRIDIN-2-YL)PIPERAZIN-1-YL]METHYL}PHENOXY]-N-METHYLACETAMIDE
    45538
    ZW0    		 1 C23 H31 N5 O7 S InChI=1S/C23H31N5O7S/c29-
    22(30)20-6-1-4-18(24-20)1
    6-27-11-9-26(8-3-15-36(33
    ,34)35)10-12-28(14-13-27)
    17-19-5-2-7-21(25-19)23(3
    1)32/h1-2,4-7H,3,8-17H2,(
    H,29,30)(H,31,32)(H,33,34
    ,35);
    YYZIWWSBAADROW-UHFFFAOYSA-N    		 OC(=O)c1cccc(CN2CCN(CCC[S](O)(=O)=O)CCN(
    CC2)Cc3cccc(n3)C(O)=O)n1; c1cc(nc(c1)C(=
    O)O)CN2CCN(CCN(CC2)Cc3cccc(n3)C(=O)O)CCC
    S(=O)(=O)O    		 6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-(3-sulfopropyl)-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid
    45539
    ZW2
    CHEMBL4172336    		 2 C13 H10 N2 O3 S InChI=1S/C13H10N2O3S/c16-
    12-10-7-9(6-8-4-2-1-3-5-8
    )19-11(10)14-13(17)15(12)
    18/h1-5,7,18H,6H2,(H,14,1
    7);
    BATRIMGMBZXTOT-UHFFFAOYSA-N    		 C1(=O)N(C(=O)Nc2c1cc(s2)Cc3ccccc3)O; ON1
    C(=O)Nc2sc(Cc3ccccc3)cc2C1=O; c1ccc(cc1)
    Cc2cc3c(s2)NC(=O)N(C3=O)O    		 6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
    45540
    ZW3
    CHEMBL1914475
    ZINC000073162622    		 1 C13 H10 N4 O3 S InChI=1S/C13H10N4O3S/c1-7
    (18)14-10-6-17-5-8(2-3-11
    (17)15-10)4-9-12(19)16-13
    (20)21-9/h2-6H,1H3,(H,14,
    18)(H,16,19,20)/b9-4-;
    CCECKHDWHUIQQG-WTKPLQERSA-N    		 CC(=O)Nc1cn2cc(ccc2n1)C=C3SC(=O)NC3=O; C
    C(=O)Nc1cn2cc(ccc2n1)\C=C3/SC(=O)NC3=O;
    CC(=O)Nc1cn2cc(ccc2n1)C=C3C(=O)NC(=O)S3;
    CC(=O)Nc1cn2cc(ccc2n1)/C=C\3/C(=O)NC(=O
    )S3; O=C1C(\SC(=O)N1)=C\c3ccc2nc(NC(=O)C
    )cn2c3    		 N-{6-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]imidazo[1,2-a]pyridin-2-yl}acetamide
    45541
    ZW4    		 2 C23 H27 Cl2 F N4 O3 S InChI=1S/C23H27Cl2FN4O3S/
    c1-28(2)12-16-13-30(14-16
    )34(26,32)27-18-10-19(24)
    22(20(25)11-18)23(31)29-8
    -9-33-21(15-29)17-6-4-3-5
    -7-17/h3-7,10-11,16,21H,8
    -9,12-15H2,1-2H3/t21-,34-
    /m1/s1;
    CSVDOHTVDZZGEP-JTMIDMFHSA-N    		 CN(C)CC1CN(C1)[S@@](=Nc2cc(c(c(c2)Cl)C(=
    O)N3CCO[C@H](C3)c4ccccc4)Cl)(=O)F; CN(C)
    CC1CN(C1)[S](F)(=O)=Nc2cc(Cl)c(c(Cl)c2)C
    (=O)N3CCO[CH](C3)c4ccccc4; CN(C)CC1CN(C1
    )[S@](F)(=O)=Nc2cc(Cl)c(c(Cl)c2)C(=O)N3C
    CO[C@H](C3)c4ccccc4; O=C(N1CC(OCC1)c1ccc
    cc1)c1c(Cl)cc(N=S(F)(=O)N2CC(CN(C)C)C2)c
    c1Cl; CN(C)CC1CN(C1)S(=Nc2cc(c(c(c2)Cl)C
    (=O)N3CCOC(C3)c4ccccc4)Cl)(=O)F    		 (S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride
    45542
    ZW5
    ZINC000019230012    		 1 C12 H17 F N2 O InChI=1S/C12H17FN2O/c1-16
    -12-3-2-10(8-11(12)13)9-1
    5-6-4-14-5-7-15/h2-3,8,14
    H,4-7,9H2,1H3;
    DOHKJEHZIZZYLD-UHFFFAOYSA-N    		 COc1ccc(CN2CCNCC2)cc1F; COc1ccc(cc1F)CN1
    CCNCC1; COc1ccc(cc1F)CN2CCNCC2    		 1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
    45543
    ZW7    		 2 C29 H24 F6 N2 O3 InChI=1S/C29H24F6N2O3/c30
    -28(31,32)18-10-8-16(9-11
    -18)20-6-1-2-7-21(20)26(3
    9)36-25(17-4-3-5-19(12-17
    )29(33,34)35)27(40)37-13-
    22-23(14-37)24(22)15-38/h
    1-12,22-25,38H,13-15H2,(H
    ,36,39)/t22-,23+,24+,25-/
    m0/s1;
    LLNURPOWMDHYAG-LIONHTAISA-N    		 OCC1[C@@H]2CN(C[C@H]12)C(=O)[C@@H](NC(=O
    )c3ccccc3c4ccc(cc4)C(F)(F)F)c5cccc(c5)C(
    F)(F)F; O=C(C(NC(=O)c1ccccc1c1ccc(cc1)C(
    F)(F)F)c1cccc(c1)C(F)(F)F)N1CC2C(CO)C2C1
    ; c1ccc(c(c1)c2ccc(cc2)C(F)(F)F)C(=O)N[C
    @@H](c3cccc(c3)C(F)(F)F)C(=O)N4C[C@@H]5[
    C@H](C4)C5CO; OCC1[CH]2CN(C[CH]12)C(=O)[
    CH](NC(=O)c3ccccc3c4ccc(cc4)C(F)(F)F)c5c
    ccc(c5)C(F)(F)F; c1ccc(c(c1)c2ccc(cc2)C(
    F)(F)F)C(=O)NC(c3cccc(c3)C(F)(F)F)C(=O)N
    4CC5C(C4)C5CO    		 N-{(1S)-2-[(1R,5S,6S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide
    45544
    ZWA    		 2 C29 H27 F6 N3 O2 InChI=1S/C29H27F6N3O2/c1-
    37(2)27(40)25(20-6-5-7-22
    (14-20)38-16-18(17-38)15-
    28(30,31)32)36-26(39)24-9
    -4-3-8-23(24)19-10-12-21(
    13-11-19)29(33,34)35/h3-1
    4,18,25H,15-17H2,1-2H3,(H
    ,36,39)/t25-/m0/s1;
    DGNFHHFZLNEVEL-VWLOTQADSA-N    		 CN(C)C(=O)C(c1cccc(c1)N2CC(C2)CC(F)(F)F)
    NC(=O)c3ccccc3c4ccc(cc4)C(F)(F)F; CN(C)C
    (=O)[CH](NC(=O)c1ccccc1c2ccc(cc2)C(F)(F)
    F)c3cccc(c3)N4CC(C4)CC(F)(F)F; CN(C)C(=O
    )[C@@H](NC(=O)c1ccccc1c2ccc(cc2)C(F)(F)F
    )c3cccc(c3)N4CC(C4)CC(F)(F)F; CN(C)C(=O)
    [C@H](c1cccc(c1)N2CC(C2)CC(F)(F)F)NC(=O)
    c3ccccc3c4ccc(cc4)C(F)(F)F; FC(F)(F)c1cc
    c(cc1)c1ccccc1C(=O)NC(c1cccc(c1)N1CC(C1)
    CC(F)(F)F)C(=O)N(C)C    		 N-[(1S)-2-(dimethylamino)-2-oxo-1-{3-[3-(2,2,2-trifluoroethyl)azetidin-1-yl]phenyl}ethyl]-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide
    45545
    ZWD
    CHEMBL463
    DB00345
    ZINC000000119344    		 0 C9 H10 N2 O3 InChI=1S/C9H10N2O3/c10-7-
    3-1-6(2-4-7)9(14)11-5-8(1
    2)13/h1-4H,5,10H2,(H,11,1
    4)(H,12,13);
    HSMNQINEKMPTIC-UHFFFAOYSA-N    		 Nc1ccc(cc1)C(=O)NCC(O)=O; O=C(NCC(=O)O)c
    1ccc(N)cc1; c1cc(ccc1C(=O)NCC(=O)O)N    		 N-(4-aminobenzoyl)glycine;
    Para-aminohippuric acid
    45546
    ZWE    		 4 C16 H12 F5 N5 O2 InChI=1S/C16H12F5N5O2/c1-
    6-9-2-7(17)3-10(18)12(9)2
    8-11(6)13(16(19,20)21)26-
    15(27)25-8-4-23-14(22)24-
    5-8/h2-5,13H,1H3,(H2,22,2
    3,24)(H2,25,26,27)/t13-/m
    1/s1;
    LGPNQALKGDDVBD-CYBMUJFWSA-N    		 Cc1c2cc(cc(c2oc1C(C(F)(F)F)NC(=O)Nc3cnc(
    nc3)N)F)F; Cc1c(oc2c(F)cc(F)cc12)[C@@H](
    NC(=O)Nc3cnc(N)nc3)C(F)(F)F; Cc1c(oc2c(F
    )cc(F)cc12)[CH](NC(=O)Nc3cnc(N)nc3)C(F)(
    F)F; Cc1c2cc(cc(c2oc1[C@H](C(F)(F)F)NC(=
    O)Nc3cnc(nc3)N)F)F; Nc1ncc(cn1)NC(=O)NC(
    c1oc2c(F)cc(F)cc2c1C)C(F)(F)F    		 N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea
    45547
    ZWG    		 1 C19 H22 N4 O InChI=1S/C19H22N4O/c1-12(
    2)11-17(20)19(24)23-14-5-
    3-13(4-6-14)15-7-9-21-18-
    16(15)8-10-22-18/h3-10,12
    ,17H,11,20H2,1-2H3,(H,21,
    22)(H,23,24)/t17-/m1/s1;
    DQDRFKODMABANK-QGZVFWFLSA-N    		 CC(C)CC(C(=O)Nc1ccc(cc1)c2ccnc3c2cc[nH]3
    )N; CC(C)C[C@@H](N)C(=O)Nc1ccc(cc1)c2ccn
    c3[nH]ccc23; CC(C)CC(N)C(=O)Nc1ccc(cc1)c
    1ccnc2[NH]ccc12; CC(C)C[C@H](C(=O)Nc1ccc
    (cc1)c2ccnc3c2cc[nH]3)N; CC(C)C[CH](N)C(
    =O)Nc1ccc(cc1)c2ccnc3[nH]ccc23    		 N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide
    45548
    ZWH    		 1 C23 H28 N2 O10 Ru2 InChI=1S/C13H12N2.2C4H6O4
    .C2H4O2.2Ru/c1-3-7-12(8-4
    -1)14-11-15-13-9-5-2-6-10
    -13;2*5-3(6)1-2-4(7)8;1-2
    (3)4;;/h1-10H,11H2;2*3H,1
    -2H2,(H,7,8);2H,1H3;;/q4*
    -2;2*+4;
    GPMJGBXYFGQHON-UHFFFAOYSA-N    		 C[CH]1O[Ru]23O[CH](CCC(O)=O)O[Ru](O1)(O[
    CH](CCC(O)=O)O2)N(CN3c4ccccc4)c5ccccc5;
    C[C@H]1O[Ru]23O[C@H](CCC(O)=O)O[Ru](O1)(
    O[C@@H](CCC(O)=O)O2)N(CN3c4ccccc4)c5cccc
    c5; CC1O[Ru]234N(CN([Ru]2(O1)(OC(O3)CCC(
    =O)O)OC(O4)CCC(=O)O)c5ccccc5)c6ccccc6    		 [Ru2Cl(N,N'-bis(4-fluorophenyl)formamidinate)(1,1-ethanediol)(succinic acid)2]
    45549
    ZWI
    CHEMBL1213508    		 4 C15 H33 N O3 S InChI=1S/C15H33NO3S/c1-4-
    5-6-7-8-9-10-11-13-16(2,3
    )14-12-15-20(17,18)19/h4-
    15H2,1-3H3;
    WKALLSVICJPZTM-UHFFFAOYSA-N    		 CCCCCCCCCC[N+](C)(C)CCC[S]([O-])(=O)=O;
    [O-]S(=O)(=O)CCC[N+](C)(CCCCCCCCCC)C; CC
    CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]    		 3-[decyl(dimethyl)ammonio]propane-1-sulfonate
    45550
    ZWK    		 4 C20 H21 N5 O InChI=1S/C20H21N5O/c1-14-
    4-2-3-5-17(14)20(26)25-10
    -8-24(9-11-25)16-6-7-18-1
    5(12-16)13-22-23-19(18)21
    /h2-7,12-13H,8-11H2,1H3,(
    H2,21,23);
    COJCNHAXOZJCNU-UHFFFAOYSA-N    		 Cc1ccccc1C(=O)N2CCN(CC2)c3ccc4c(N)nncc4c
    3; Cc1ccccc1C(=O)N2CCN(CC2)c3ccc4c(c3)cn
    nc4N; O=C(c1ccccc1C)N1CCN(CC1)c1cc2cnnc(
    N)c2cc1    		 [4-(1-aminophthalazin-6-yl)piperazin-1-yl](2-methylphenyl)methanone
    45551
    ZWL    		 1 C15 H14 N2 O5 Ru2 InChI=1S/C13H12N2.CH2O3.C
    H2O2.2Ru/c1-3-7-12(8-4-1)
    14-11-15-13-9-5-2-6-10-13
    ;2-1(3)4;2-1-3;;/h1-10H,1
    1H2;(H2,2,3,4);1H2;;/q-2;
    ;-2;2*+3/p-2;
    BRHWNNYPQHZNLT-UHFFFAOYSA-L    		 O=C1O[Ru]23OCO[Ru]2(O1)N(CN3c4ccccc4)c5c
    cccc5; c1ccc(cc1)N2CN([Ru]34[Ru]2(OCO3)O
    C(=O)O4)c5ccccc5; O=C1O[Ru@]23OCO[Ru@@]2
    (O1)N(CN3c4ccccc4)c5ccccc5    		 [Ru2(DPhF)(Formate)(CO3)]
    45552
    ZWN
    CHEMBL451532
    DB16859
    ZINC000008143604    		 2 C27 H32 O14 InChI=1S/C27H32O14/c1-10-
    20(32)22(34)24(36)26(37-1
    0)41-25-23(35)21(33)18(9-
    28)40-27(25)38-13-6-14(30
    )19-15(31)8-16(39-17(19)7
    -13)11-2-4-12(29)5-3-11/h
    2-7,10,16,18,20-30,32-36H
    ,8-9H2,1H3/t10-,16-,18+,2
    0-,21+,22+,23-,24+,25+,26
    -,27+/m0/s1;
    DFPMSGMNTNDNHN-ZPHOTFPESA-N    		 CC1C(C(C(C(O1)OC2C(C(C(OC2Oc3cc(c4c(c3)O
    C(CC4=O)c5ccc(cc5)O)O)CO)O)O)O)O)O; C[CH
    ]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH
    ]2Oc3cc(O)c4C(=O)C[CH](Oc4c3)c5ccc(O)cc5
    )[CH](O)[CH](O)[CH]1O; C[C@@H]1O[C@@H](O
    [C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]
    2Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c5ccc(O)cc5
    )[C@H](O)[C@H](O)[C@H]1O; Oc1ccc(cc1)C1C
    C(=O)c2c(O)cc(cc2O1)OC1OC(CO)C(O)C(O)C1O
    C1OC(C)C(O)C(O)C1O; C[C@H]1[C@@H]([C@H](
    [C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@
    H](O[C@H]2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5c
    cc(cc5)O)O)CO)O)O)O)O)O    		 (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside;
    Naringin
    45553
    ZWO    		 1 C16 H12 N2 O9 Ru2 InChI=1S/C13H12N2.3CH2O3.
    2Ru/c1-3-7-12(8-4-1)14-11
    -15-13-9-5-2-6-10-13;3*2-
    1(3)4;;/h1-10H,11H2;3*(H2
    ,2,3,4);;/q-2;;;;2*+4/p-6;
    TZCHHEUOTVFLIC-UHFFFAOYSA-H    		 c1ccc(cc1)N2CN([Ru]345[Ru]2(OC(=O)O3)(OC
    (=O)O4)OC(=O)O5)c6ccccc6; O=C1O[Ru]23OC(
    =O)O[Ru](O1)(OC(=O)O2)N(CN3c4ccccc4)c5cc
    ccc5    		 Ru2(DPhF)(CO3)3
    45554
    ZWP    		 1 C21 H21 N3 O InChI=1S/C21H21N3O/c1-4-2
    1(2,3)19-16(15-8-5-6-9-17
    (15)23-19)12-14-13-24-11-
    7-10-18(24)20(25)22-14/h4
    -9,11,13,23H,1,10,12H2,2-
    3H3;
    DUPBTPHDPVCZPP-UHFFFAOYSA-N    		 CC(C)(C=C)c1[nH]c2ccccc2c1Cc3c[n+]4C=CCc
    4c([O-])n3; c1cccc4c1c(Cc2c[n+]3c(c(n2)[
    O-])CC=C3)c(C(C)(C)\C=C)n4; CC(C)(C=C)c1
    c(c2ccccc2[nH]1)Cc3c[n+]4c(c(n3)[O-])CC=
    C4    		 3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate
    45555
    ZWS    		 2 C23 H29 N3 O7 InChI=1S/C23H29N3O7/c1-4-
    15(2)18-11-16-7-8-24(23(3
    1)33-10-9-32-3)13-19(16)2
    6(22(18)30)17-5-6-20(27)2
    5(12-17)14-21(28)29/h5-6,
    11-12,15H,4,7-10,13-14H2,
    1-3H3,(H,28,29)/t15-/m1/s
    1;
    XFTKAVIYFGOXSI-OAHLLOKOSA-N    		 CCC(C)C1=CC2=C(CN(CC2)C(=O)OCCOC)N(C1=O)
    C3=CN(C(=O)C=C3)CC(=O)O; CC[C@@H](C)C1=C
    C2=C(CN(CC2)C(=O)OCCOC)N(C1=O)C3=CN(C(=O
    )C=C3)CC(=O)O; CC[C@@H](C)C1=CC2=C(CN(CC
    2)C(=O)OCCOC)N(C1=O)C3=CN(CC(O)=O)C(=O)C
    =C3; O=C(O)CN1C=C(C=CC1=O)N1C(=O)C(=CC=2
    CCN(CC1=2)C(=O)OCCOC)C(C)CC; CC[CH](C)C1
    =CC2=C(CN(CC2)C(=O)OCCOC)N(C1=O)C3=CN(CC
    (O)=O)C(=O)C=C3    		 [(5P)-5-{3-[(2R)-butan-2-yl]-7-[(2-methoxyethoxy)carbonyl]-2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1(2H)-yl}-2-oxopyridin-1(2H)-yl]acetic acid
    45556
    ZWV    		 4 C28 H42 N8 O3 InChI=1S/C28H42N8O3/c1-3-
    4-21(7-12-37)32-27-26-23(
    33-28(29)34-27)17-31-36(2
    6)18-24-25(38-2)15-20(16-
    30-24)19-5-10-35(11-6-19)
    22-8-13-39-14-9-22/h15-17
    ,19,21-22,37H,3-14,18H2,1
    -2H3,(H3,29,32,33,34)/t21
    -/m0/s1;
    RZRJLAWKPZNKQG-NRFANRHFSA-N    		 CCCC(CCO)Nc1c2c(cnn2Cc3c(cc(cn3)C4CCN(CC
    4)C5CCOCC5)OC)nc(n1)N; CCC[C@@H](CCO)Nc1
    nc(N)nc2cnn(Cc3ncc(cc3OC)C4CCN(CC4)C5CCO
    CC5)c12; CCC[C@@H](CCO)Nc1c2c(cnn2Cc3c(c
    c(cn3)C4CCN(CC4)C5CCOCC5)OC)nc(n1)N; CCC
    [CH](CCO)Nc1nc(N)nc2cnn(Cc3ncc(cc3OC)C4C
    CN(CC4)C5CCOCC5)c12; CCCC(CCO)Nc1nc(N)nc
    2cnn(Cc3ncc(cc3OC)C3CCN(CC3)C3CCOCC3)c12    		 (3S)-3-{[5-amino-1-({3-methoxy-5-[1-(oxan-4-yl)piperidin-4-yl]pyridin-2-yl}methyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino}hexan-1-ol
    45557
    ZWW    		 2 C50 H57 N5 O20 InChI=1S/C50H57N5O20/c1-2
    2-28(12-46(66)67)24(3-8-4
    2(58)59)34(52-22)18-38-31
    (15-49(72)73)26(5-10-44(6
    2)63)36(54-38)20-40-32(16
    -50(74)75)27(6-11-45(64)6
    5)37(55-40)19-39-30(14-48
    (70)71)25(4-9-43(60)61)35
    (53-39)17-33-29(13-47(68)
    69)23(21-51-33)2-7-41(56)
    57/h21,51-55H,2-20H2,1H3,
    (H,56,57)(H,58,59)(H,60,6
    1)(H,62,63)(H,64,65)(H,66
    ,67)(H,68,69)(H,70,71)(H,
    72,73)(H,74,75);
    HFYKODBGFFMGCY-UHFFFAOYSA-N    		 Cc1c(c(c([nH]1)Cc2c(c(c([nH]2)Cc3c(c(c([
    nH]3)Cc4c(c(c([nH]4)Cc5c(c(c[nH]5)CCC(=O
    )O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(
    =O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O;
    Cc1[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(Cc5[
    nH]cc(CCC(O)=O)c5CC(O)=O)c(CCC(O)=O)c4CC
    (O)=O)c(CCC(O)=O)c3CC(O)=O)c(CCC(O)=O)c2
    CC(O)=O)c(CCC(O)=O)c1CC(O)=O    		 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid
    45558
    ZWY
    CHEMBL259898
    DB05804
    ZINC000004096458    		 32 C19 H28 O5 S InChI=1S/C19H28O5S/c1-18-
    9-7-13(24-25(21,22)23)11-
    12(18)3-4-14-15-5-6-17(20
    )19(15,2)10-8-16(14)18/h3
    ,13-16H,4-11H2,1-2H3,(H,2
    1,22,23)/t13-,14-,15-,16-
    ,18-,19-/m0/s1;
    CZWCKYRVOZZJNM-USOAJAOKSA-N    		 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]
    34C)O[S](O)(=O)=O)[C@@H]1CCC2=O; C[C@]12
    CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(
    CC[C@@H](C4)OS(=O)(=O)O)C; C[C]12CC[CH]3
    [CH](CC=C4C[CH](CC[C]34C)O[S](O)(=O)=O)[
    CH]1CCC2=O; CC12CCC3C(C1CCC2=O)CC=C4C3(C
    CC(C4)OS(=O)(=O)O)C; O=S(=O)(O)OC1CCC2(C
    )C3CCC4(C)C(CCC4=O)C3CC=C2C1    		 17-oxoandrost-5-en-3beta-yl hydrogen sulfate;
    Dehydroepiandrosterone sulfate;
    DHEA sulfate;
    DHEA-S
    45559
    ZWZ    		 2 C7 H16 N2 O3 InChI=1S/C7H16N2O3/c1-3-5
    (10)7(12)6(11)4(2-8)9-3/h
    3-7,9-12H,2,8H2,1H3/t3-,4
    +,5+,6+,7+/m0/s1;
    AKIVXVRDQKFDJC-CQOGJGKDSA-N    		 CC1C(C(C(C(N1)CN)O)O)O; C[C@H]1[C@H]([C@
    H]([C@@H]([C@H](N1)CN)O)O)O; C[C@@H]1N[C
    @H](CN)[C@@H](O)[C@H](O)[C@@H]1O; C[CH]1
    N[CH](CN)[CH](O)[CH](O)[CH]1O; OC1C(O)C(
    O)C(NC1CN)C    		 (2R,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol
    45560
    ZX0
    ZINC000058639118    		 1 C12 H22 N4 O6 S InChI=1S/C12H22N4O6S/c17-
    11(18)10-9(15-23(20,21)22
    )4-7-16(10)12(19)14-8-2-1
    -5-13-6-3-8/h8-10,13,15H,
    1-7H2,(H,14,19)(H,17,18)(
    H,20,21,22)/t8-,9+,10-/m0
    /s1;
    WWLDRJMXWRULQB-AEJSXWLSSA-N    		 C1CC(CCNC1)NC(=O)N2CCC(C2C(=O)O)NS(=O)(=
    O)O; C1C[C@@H](CCNC1)NC(=O)N2CC[C@H]([C@
    H]2C(=O)O)NS(=O)(=O)O; O=S(=O)(O)NC2C(C(
    =O)O)N(C(=O)NC1CCCNCC1)CC2; OC(=O)[CH]1[
    CH](CCN1C(=O)N[CH]2CCCNCC2)N[S](O)(=O)=O
    ; OC(=O)[C@@H]1[C@@H](CCN1C(=O)N[C@H]2CC
    CNCC2)N[S](O)(=O)=O    		 (3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline
    45561
    ZX1
    ZINC000058649659    		 1 C12 H22 N4 O6 S InChI=1S/C12H22N4O6S/c17-
    11(18)10-9(15-23(20,21)22
    )4-7-16(10)12(19)14-8-2-1
    -5-13-6-3-8/h8-10,13,15H,
    1-7H2,(H,14,19)(H,17,18)(
    H,20,21,22)/t8-,9-,10+/m1
    /s1;
    WWLDRJMXWRULQB-BBBLOLIVSA-N    		 C1CC(CCNC1)NC(=O)N2CCC(C2C(=O)O)NS(=O)(=
    O)O; OC(=O)[C@@H]1[C@@H](CCN1C(=O)N[C@@H
    ]2CCCNCC2)N[S](O)(=O)=O; O=S(=O)(O)NC2C(
    C(=O)O)N(C(=O)NC1CCCNCC1)CC2; C1C[C@H](C
    CNC1)NC(=O)N2CC[C@H]([C@H]2C(=O)O)NS(=O)
    (=O)O; OC(=O)[CH]1[CH](CCN1C(=O)N[CH]2CC
    CNCC2)N[S](O)(=O)=O    		 (3R)-1-[(4R)-AZEPAN-4-YLCARBAMOYL]-3-(SULFOAMINO)-L-PROLINE
    45562
    ZX3    		 1 C26 H37 N7 O4 InChI=1S/C26H37N7O4/c1-2-
    20-25-28-18-5-7-32(8-6-18
    )9-12-36-15-16-37-22-17-1
    9(29-26(31-25)23(30-20)24
    (27)34)3-4-21(22)33-10-13
    -35-14-11-33/h3-4,17-18H,
    2,5-16H2,1H3,(H2,27,34)(H
    2,28,29,31);
    LXUHFRDECMQRJE-UHFFFAOYSA-N    		 CCc1c2nc(c(n1)C(=O)N)Nc3ccc(c(c3)OCCOCCN
    4CCC(N2)CC4)N5CCOCC5; CCc1nc(C(N)=O)c2Nc
    3ccc(N4CCOCC4)c(OCCOCCN5CCC(CC5)Nc1n2)c3    		 3^3-ethyl-5^4-morpholino-6,9-dioxa-2,4-diaza-3(2,6)-pyrazina-1(4,1)-piperidina-5(1,3)-benzenacycloundecaphane-3^5-carboxamide
    45563
    ZX4    		 1 C25 H32 N10 O6 S InChI=1S/C25H32N10O6S/c26
    -19-16-21(30-9-29-19)35(1
    0-31-16)23-18(37)17(36)14
    (41-23)8-42-12-3-5-34(13(
    6-12)24(39)40)4-1-2-11-7-
    28-20-15(11)22(38)33-25(2
    7)32-20/h7,9-10,12-14,17-
    18,23,36-37H,1-6,8H2,(H,3
    9,40)(H2,26,29,30)(H4,27,
    28,32,33,38)/t12-,13-,14-
    ,17-,18-,23-/m1/s1;
    AOZGSZXCWJDLPF-LVEUASCASA-N    		 c1c(c2c([nH]1)N=C(NC2=O)N)CCCN3CC[C@H](C
    [C@@H]3C(=O)O)SC[C@@H]4[C@H]([C@H]([C@@H
    ](O4)n5cnc6c5ncnc6N)O)O; O=C(O)C1CC(CCN1
    CCCc1c[NH]c2N=C(N)NC(=O)c21)SCC1OC(n2cnc
    3c(N)ncnc32)C(O)C1O; c1c(c2c([nH]1)N=C(N
    C2=O)N)CCCN3CCC(CC3C(=O)O)SCC4C(C(C(O4)n
    5cnc6c5ncnc6N)O)O; NC1=Nc2[nH]cc(CCCN3CC
    [CH](C[CH]3C(O)=O)SC[CH]4O[CH]([CH](O)[C
    H]4O)n5cnc6c(N)ncnc56)c2C(=O)N1; NC1=Nc2
    [nH]cc(CCCN3CC[C@H](C[C@@H]3C(O)=O)SC[C@
    H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncn
    c56)c2C(=O)N1    		 5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine
    45564
    ZX5
    CHEMBL1236988
    ZINC000038230544    		 2 C18 H25 N3 O4 InChI=1S/C18H25N3O4/c1-10
    -16(23)18(25)17(24)14(21-
    10)9-20-15(22)7-6-11-8-19
    -13-5-3-2-4-12(11)13/h2-5
    ,8,10,14,16-19,21,23-25H,
    6-7,9H2,1H3,(H,20,22)/t10
    -,14+,16+,17+,18+/m0/s1;
    QUTVJEWHGONWDR-YCIWZXPNSA-N    		 CC1C(C(C(C(N1)CNC(=O)CCc2c[nH]c3c2cccc3)
    O)O)O; O=C(NCC1NC(C(O)C(O)C1O)C)CCc3c2cc
    ccc2nc3; C[C@H]1[C@H]([C@H]([C@@H]([C@H]
    (N1)CNC(=O)CCc2c[nH]c3c2cccc3)O)O)O; C[C
    H]1N[CH](CNC(=O)CCc2c[nH]c3ccccc23)[CH](
    O)[CH](O)[CH]1O; C[C@@H]1N[C@H](CNC(=O)C
    Cc2c[nH]c3ccccc23)[C@@H](O)[C@H](O)[C@@H
    ]1O    		 3-(1H-indol-3-yl)-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}propanamide
    45565
    ZX6
    ZINC000058649661    		 2 C17 H23 N3 O4 InChI=1S/C17H23N3O4/c1-9-
    15(22)17(24)16(23)13(20-9
    )8-19-14(21)6-10-7-18-12-
    5-3-2-4-11(10)12/h2-5,7,9
    ,13,15-18,20,22-24H,6,8H2
    ,1H3,(H,19,21)/t9-,13+,15
    +,16+,17+/m0/s1;
    SIWZFSDAFLUSGA-CXQPTDBTSA-N    		 C[C@@H]1N[C@H](CNC(=O)Cc2c[nH]c3ccccc23)
    [C@@H](O)[C@H](O)[C@@H]1O; C[C@H]1[C@H](
    [C@H]([C@@H]([C@H](N1)CNC(=O)Cc2c[nH]c3c
    2cccc3)O)O)O; O=C(NCC1NC(C(O)C(O)C1O)C)C
    c3c2ccccc2nc3; CC1C(C(C(C(N1)CNC(=O)Cc2c
    [nH]c3c2cccc3)O)O)O; C[CH]1N[CH](CNC(=O)
    Cc2c[nH]c3ccccc23)[CH](O)[CH](O)[CH]1O    		 2-(1H-indol-3-yl)-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide
    45566
    ZX7
    ZINC000058649664    		 2 C16 H21 N3 O4 InChI=1S/C16H21N3O4/c1-8-
    13(20)15(22)14(21)12(18-8
    )7-17-16(23)11-6-9-4-2-3-
    5-10(9)19-11/h2-6,8,12-15
    ,18-22H,7H2,1H3,(H,17,23)
    /t8-,12+,13+,14+,15+/m0/s
    1;
    VHAWVXPAMQXIGT-LMYWXWJPSA-N    		 C[C@@H]1N[C@H](CNC(=O)c2[nH]c3ccccc3c2)[
    C@@H](O)[C@H](O)[C@@H]1O; O=C(NCC1NC(C(O
    )C(O)C1O)C)c3cc2ccccc2n3; C[CH]1N[CH](CN
    C(=O)c2[nH]c3ccccc3c2)[CH](O)[CH](O)[CH]
    1O; CC1C(C(C(C(N1)CNC(=O)c2cc3ccccc3[nH]
    2)O)O)O; C[C@H]1[C@H]([C@H]([C@@H]([C@H]
    (N1)CNC(=O)c2cc3ccccc3[nH]2)O)O)O    		 N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1H-indole-2-carboxamide
    45567
    ZX8
    ZINC000058649675    		 2 C16 H20 N2 O5 InChI=1S/C16H20N2O5/c1-8-
    13(19)15(21)14(20)10(18-8
    )7-17-16(22)12-6-9-4-2-3-
    5-11(9)23-12/h2-6,8,10,13
    -15,18-21H,7H2,1H3,(H,17,
    22)/t8-,10+,13+,14+,15+/m
    0/s1;
    WSXUKLGXIBOXHU-QFJYNZAASA-N    		 C[CH]1N[CH](CNC(=O)c2oc3ccccc3c2)[CH](O)
    [CH](O)[CH]1O; C[C@@H]1N[C@H](CNC(=O)c2o
    c3ccccc3c2)[C@@H](O)[C@H](O)[C@@H]1O; CC
    1C(C(C(C(N1)CNC(=O)c2cc3ccccc3o2)O)O)O;
    C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=
    O)c2cc3ccccc3o2)O)O)O; O=C(c2oc1ccccc1c2
    )NCC3NC(C)C(O)C(O)C3O    		 N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1-benzofuran-2-carboxamide
    45568
    ZX9
    ZINC000036417106    		 2 C20 H30 N2 O4 InChI=1S/C20H30N2O4/c1-12
    -17(23)19(25)18(24)15(22-
    12)11-21-20(26)16(14-9-5-
    6-10-14)13-7-3-2-4-8-13/h
    2-4,7-8,12,14-19,22-25H,5
    -6,9-11H2,1H3,(H,21,26)/t
    12-,15+,16+,17+,18+,19+/m
    0/s1;
    USPGDBVOHJFDBD-YFRSTRBHSA-N    		 CC1C(C(C(C(N1)CNC(=O)C(c2ccccc2)C3CCCC3)
    O)O)O; C[C@H]1[C@H]([C@H]([C@@H]([C@H](N
    1)CNC(=O)[C@H](c2ccccc2)C3CCCC3)O)O)O; C
    [C@@H]1N[C@H](CNC(=O)[C@@H](C2CCCC2)c3cc
    ccc3)[C@@H](O)[C@H](O)[C@@H]1O; O=C(NCC1
    NC(C(O)C(O)C1O)C)C(c2ccccc2)C3CCCC3; C[C
    H]1N[CH](CNC(=O)[CH](C2CCCC2)c3ccccc3)[C
    H](O)[CH](O)[CH]1O    		 (2S)-2-cyclopentyl-2-phenyl-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}ethanamide
    45569
    ZXA
    CHEMBL1236993    		 2 C9 H18 N2 O4 InChI=1S/C9H18N2O4/c1-4-7
    (13)9(15)8(14)6(11-4)3-10
    -5(2)12/h4,6-9,11,13-15H,
    3H2,1-2H3,(H,10,12)/t4-,6
    +,7+,8+,9+/m0/s1;
    PCXCXTZASITUBF-GDJKBKKHSA-N    		 C[CH]1N[CH](CNC(C)=O)[CH](O)[CH](O)[CH]1
    O; C[C@@H]1N[C@H](CNC(C)=O)[C@@H](O)[C@H
    ](O)[C@@H]1O; CC1C(C(C(C(N1)CNC(=O)C)O)O
    )O; C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)C
    NC(=O)C)O)O)O; O=C(NCC1NC(C(O)C(O)C1O)C)
    C    		 N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide
    45570
    ZXB
    ZINC000058638590    		 2 C12 H17 N O3 InChI=1S/C12H17NO3/c14-10
    -7-13-9(11(15)12(10)16)6-
    8-4-2-1-3-5-8/h1-5,9-16H,
    6-7H2/t9-,10+,11+,12-/m0/
    s1;
    NDQBRGWFAQLRFZ-QCNOEVLYSA-N    		 O[CH]1CN[CH](Cc2ccccc2)[CH](O)[CH]1O; O[
    C@@H]1CN[C@@H](Cc2ccccc2)[C@@H](O)[C@H]1
    O; c1ccc(cc1)CC2C(C(C(CN2)O)O)O; OC1C(NC
    C(O)C1O)Cc2ccccc2; c1ccc(cc1)C[C@H]2[C@H
    ]([C@H]([C@@H](CN2)O)O)O    		 (2S,3R,4S,5R)-2-benzylpiperidine-3,4,5-triol
    45571
    ZXC
    ZINC000006093591    		 1 C10 H7 N5 O S InChI=1S/C10H7N5OS/c16-10
    (6-2-1-3-17-6)15-9-7-8(12
    -4-11-7)13-5-14-9/h1-5H,(
    H2,11,12,13,14,15,16);
    AARNVVCHOMHOPP-UHFFFAOYSA-N    		 c1cc(sc1)C(=O)Nc2c3c([nH]cn3)ncn2; O=C(N
    c1ncnc2[nH]cnc12)c3sccc3    		 N-(9H-purin-6-yl)thiophene-2-carboxamide
    45572
    ZXD    		 2 C8 H17 N O3 InChI=1S/C8H17NO3/c1-4(2)
    6-8(12)7(11)5(10)3-9-6/h4
    -12H,3H2,1-2H3/t5-,6+,7+,
    8-/m1/s1;
    WNBLNSHOIGFFFW-VGRMVHKJSA-N    		 CC(C)C1C(C(C(CN1)O)O)O; CC(C)[C@@H]1NC[C
    @@H](O)[C@H](O)[C@@H]1O; CC(C)[C@H]1[C@H
    ]([C@H]([C@@H](CN1)O)O)O; CC(C)[CH]1NC[C
    H](O)[CH](O)[CH]1O; OC1C(NCC(O)C1O)C(C)C    		 (2S,3R,4S,5R)-2-(1-methylethyl)piperidine-3,4,5-triol
    45573
    ZXE    		 1 C16 H14 N2 O8 Ru2 InChI=1S/C13H12N2.2CH2O3.
    CH2O2.2Ru/c1-3-7-12(8-4-1
    )14-11-15-13-9-5-2-6-10-1
    3;2*2-1(3)4;2-1-3;;/h1-10
    H,11H2;2*(H2,2,3,4);1H2;;
    /q-2;;;-2;2*+4/p-4;
    VXNQBXDONZSVPB-UHFFFAOYSA-J    		 c1ccc(cc1)N2CN([Ru]345[Ru]2(OCO3)(OC(=O)
    O4)OC(=O)O5)c6ccccc6; O=C1O[Ru]23OCO[Ru]
    (O1)(OC(=O)O2)N(CN3c4ccccc4)c5ccccc5    		 Ru2(DPhF)(CO3)2(Formate)
    45574
    ZXG
    ZINC000082430252    		 1 C15 H12 Br4 O5 S InChI=1S/C15H12Br4O5S/c1-
    15(2,7-3-9(16)13(20)10(17
    )4-7)8-5-11(18)14(12(19)6
    -8)24-25(21,22)23/h3-6,20
    H,1-2H3,(H,21,22,23);
    ZFFYEAWOYUGBMP-UHFFFAOYSA-N    		 Brc1cc(cc(Br)c1OS(=O)(=O)O)C(c2cc(Br)c(O
    )c(Br)c2)(C)C; CC(C)(c1cc(c(c(c1)Br)O)Br
    )c2cc(c(c(c2)Br)OS(=O)(=O)O)Br; CC(C)(c1
    cc(Br)c(O)c(Br)c1)c2cc(Br)c(O[S](O)(=O)=
    O)c(Br)c2    		 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl hydrogen sulfate
    45575
    ZXH    		 1 C23 H28 Cl N3 O3 InChI=1S/C23H28ClN3O3/c1-
    23(13-30-12-20(23)28)27-6
    -4-14(5-7-27)18-8-16-10-2
    1(26-22(29)15-2-3-15)25-1
    1-17(16)9-19(18)24/h8-11,
    14-15,20,28H,2-7,12-13H2,
    1H3,(H,25,26,29)/t20-,23+
    /m0/s1;
    AUWBKRNKWPJDOB-NZQKXSOJSA-N    		 C[C]1(COC[CH]1O)N2CCC(CC2)c3cc4cc(NC(=O)
    C5CC5)ncc4cc3Cl; CC1(COCC1O)N2CCC(CC2)c3
    cc4cc(ncc4cc3Cl)NC(=O)C5CC5; C[C@]1(COC[
    C@@H]1O)N2CCC(CC2)c3cc4cc(ncc4cc3Cl)NC(=
    O)C5CC5; C[C@]1(COC[C@@H]1O)N2CCC(CC2)c3
    cc4cc(NC(=O)C5CC5)ncc4cc3Cl; OC1COCC1(C)
    N1CCC(CC1)c1cc2cc(NC(=O)C3CC3)ncc2cc1Cl    		 N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide
    45576
    ZXI
    ZINC000002563302    		 1 C7 H8 I N InChI=1S/C7H8IN/c8-7-3-1-
    6(5-9)2-4-7/h1-4H,5,9H2;
    KCGZGJOBKAXVSU-UHFFFAOYSA-N    		 c1cc(ccc1CN)I; NCc1ccc(I)cc1; C(c1ccc(cc
    1)I)N    		 1-(4-iodophenyl)methanamine;
    4-Iodobenzylamine
    45577
    ZXJ    		 1 C15 H14 O2 S InChI=1S/C15H14O2S/c1-15(
    2)8-9-7-12(14(16)17)18-13
    (9)10-5-3-4-6-11(10)15/h3
    -7H,8H2,1-2H3,(H,16,17);
    PTOBLWZWMMBLGH-UHFFFAOYSA-N    		 CC1(Cc2cc(sc2-c3c1cccc3)C(=O)O)C; O=C(O)
    c1cc2CC(C)(C)c3ccccc3c2s1; CC1(C)Cc2cc(s
    c2c3ccccc13)C(O)=O    		 (9aM)-5,5-dimethyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid
    45578
    ZXL    		 2 C27 H32 Cl N5 O3 InChI=1S/C27H32ClN5O3/c1-
    27(15-36-14-24(27)34)33-5
    -3-16(4-6-33)21-7-17-9-25
    (29-11-18(17)8-23(21)28)3
    1-26(35)22-10-20(22)19-12
    -30-32(2)13-19/h7-9,11-13
    ,16,20,22,24,34H,3-6,10,1
    4-15H2,1-2H3,(H,29,31,35)
    /t20-,22+,24+,27-/m1/s1;
    ZQNPWSJRKWOXCM-LQZFSELZSA-N    		 Cn1cc(cn1)[CH]2C[CH]2C(=O)Nc3cc4cc(C5CCN
    (CC5)[C]6(C)COC[CH]6O)c(Cl)cc4cn3; C[C@]
    1(COC[C@@H]1O)N2CCC(CC2)c3cc4cc(ncc4cc3C
    l)NC(=O)[C@H]5C[C@@H]5c6cnn(c6)C; CC1(CO
    CC1O)N2CCC(CC2)c3cc4cc(ncc4cc3Cl)NC(=O)C
    5CC5c6cnn(c6)C; Cn1cc(cn1)[C@H]2C[C@@H]2
    C(=O)Nc3cc4cc(C5CCN(CC5)[C@]6(C)COC[C@@H
    ]6O)c(Cl)cc4cn3; OC1COCC1(C)N1CCC(CC1)c1
    cc2cc(NC(=O)C3CC3c3cn(C)nc3)ncc2cc1Cl    		 (1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
    45579
    ZXM
    CHEMBL3586553
    ZINC000207098125    		 10 C11 H13 B N4 O5 S InChI=1S/C11H13BN4O5S/c17
    -10(4-7-2-1-3-22-7)13-9(1
    2(20)21)6-16-5-8(11(18)19
    )14-15-16/h1-3,5,9,20-21H
    ,4,6H2,(H,13,17)(H,18,19)
    /t9-/m0/s1;
    ZXGRTNOGXAKRBS-VIFPVBQESA-N    		 B(C(Cn1cc(nn1)C(=O)O)NC(=O)Cc2cccs2)(O)O
    ; OB(O)[C@H](Cn1cc(nn1)C(O)=O)NC(=O)Cc2s
    ccc2; O=C(NC(B(O)O)Cn1nnc(C(=O)O)c1)Cc2s
    ccc2; B([C@H](Cn1cc(nn1)C(=O)O)NC(=O)Cc2
    cccs2)(O)O; OB(O)[CH](Cn1cc(nn1)C(O)=O)N
    C(=O)Cc2sccc2    		 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid
    45580
    ZXN    		 3 C14 H16 N3 O5 P InChI=1S/C14H16N3O5P/c1-1
    0-14(18)13(8-16-17-12-5-3
    -2-4-6-12)11(7-15-10)9-22
    -23(19,20)21/h2-8,17-18H,
    9H2,1H3,(H2,19,20,21)/b16
    -8+;
    VZZGBIJWEDOPQL-LZYBPNLTSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/Nc2ccccc2)
    O; Cc1c(c(c(cn1)COP(=O)(O)O)C=NNc2ccccc2
    )O; Cc1ncc(CO[P](O)(O)=O)c(C=NNc2ccccc2)
    c1O; Cc1ncc(CO[P](O)(O)=O)c(/C=N/Nc2cccc
    c2)c1O    		 [6-methyl-5-oxidanyl-4-[(2-phenylhydrazinyl)methyl]pyridin-3-yl]methyl dihydrogen phosphate
    45581
    ZXP    		 1 C26 H33 Cl N4 O4 InChI=1S/C26H33ClN4O4/c1-
    25(16-35-15-22(25)32)31-6
    -4-30(5-7-31)21-11-17-12-
    23(28-14-18(17)10-20(21)2
    7)29-24(33)19-13-26(19)2-
    8-34-9-3-26/h10-12,14,19,
    22,32H,2-9,13,15-16H2,1H3
    ,(H,28,29,33)/t19-,22+,25
    -/m1/s1;
    ISEBFQYGEPKLRU-RZTXVSJASA-N    		 C[C]1(COC[CH]1O)N2CCN(CC2)c3cc4cc(NC(=O)
    [CH]5CC56CCOCC6)ncc4cc3Cl; CC1(COCC1O)N2
    CCN(CC2)c3cc4cc(ncc4cc3Cl)NC(=O)C5CC56CC
    OCC6; C[C@]1(COC[C@@H]1O)N2CCN(CC2)c3cc4
    cc(NC(=O)[C@H]5CC56CCOCC6)ncc4cc3Cl; C[C
    @]1(COC[C@@H]1O)N2CCN(CC2)c3cc4cc(ncc4cc
    3Cl)NC(=O)[C@H]5CC56CCOCC6; OC1COCC1(C)N
    1CCN(CC1)c1cc2cc(NC(=O)C3CC43CCOCC4)ncc2
    cc1Cl    		 (1S)-N-(7-chloro-6-{4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl}isoquinolin-3-yl)-6-oxaspiro[2.5]octane-1-carboxamide
    45582
    ZXQ
    CHEMBL5172356    		 3 C13 H16 B N O5 S InChI=1S/C13H16BNO5S/c16-
    12(8-10-4-2-6-21-10)15-11
    -5-1-3-9(7-13(17)18)20-14
    (11)19/h1-4,6,9,11,19H,5,
    7-8H2,(H,15,16)(H,17,18)/
    t9-,11+/m1/s1;
    JQVILEFLUQMOSI-KOLCDFICSA-N    		 B1(C(CC=CC(O1)CC(=O)O)NC(=O)Cc2cccs2)O;
    OB1O[CH](CC(O)=O)C=CC[CH]1NC(=O)Cc2sccc2
    ; OB1O[C@@H](CC(O)=O)C=CC[C@@H]1NC(=O)Cc
    2sccc2; O=C(NC1CC=CC(CC(=O)O)OB1O)Cc1ccc
    s1; B1([C@H](CC=C[C@@H](O1)CC(=O)O)NC(=O
    )Cc2cccs2)O    		 {(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid
    45583
    ZXT    		 1 C17 H22 N4 O3 S2 InChI=1S/C17H22N4O3S2/c1-
    12-11-18-17(25-12)19-16(2
    2)14-10-13(26(23,24)20(2)
    3)6-7-15(14)21-8-4-5-9-21
    /h6-7,10-11H,4-5,8-9H2,1-
    3H3,(H,18,19,22);
    QPKGRLIYJGBKJL-UHFFFAOYSA-N    		 Cc1cnc(s1)NC(=O)c2cc(ccc2N3CCCC3)S(=O)(=
    O)N(C)C; CN(C)[S](=O)(=O)c1ccc(N2CCCC2)c
    (c1)C(=O)Nc3sc(C)cn3    		 5-(dimethylsulfamoyl)-~{N}-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-benzamide
    45584
    ZXU    		 1 C36 H32 N2 O12 InChI=1S/C36H32N2O12/c39-
    22-7-2-19(3-8-22)14-24(38
    -31(46)11-5-20-4-9-25(41)
    27(43)15-20)36(48)37-12-1
    -13-49-35-33(47)32-29(45)
    17-23(40)18-30(32)50-34(3
    5)21-6-10-26(42)28(44)16-
    21/h2-11,15-18,24,39-45H,
    1,12-14H2,(H,37,48)(H,38,
    46)/b11-5+/t24-/m0/s1;
    IRVRXEMGBYHLMY-REHZOHHSSA-N    		 c1cc(ccc1C[C@@H](C(=O)NCCCOC2=C(Oc3cc(cc
    (c3C2=O)O)O)c4ccc(c(c4)O)O)NC(=O)/C=C/c5
    ccc(c(c5)O)O)O; c1cc(ccc1CC(C(=O)NCCCOC2
    =C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)NC
    (=O)C=Cc5ccc(c(c5)O)O)O; Oc1ccc(C[CH](NC
    (=O)C=Cc2ccc(O)c(O)c2)C(=O)NCCCOC3=C(Oc4
    cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)cc1; N(C
    (C(=O)NCCCOC=1C(=O)c3c(OC=1c2ccc(c(c2)O)
    O)cc(cc3O)O)Cc4ccc(cc4)O)C(=O)[C@H]=[C@H
    ]c5ccc(c(c5)O)O; Oc1ccc(C[C@H](NC(=O)/C=
    C/c2ccc(O)c(O)c2)C(=O)NCCCOC3=C(Oc4cc(O)
    cc(O)c4C3=O)c5ccc(O)c(O)c5)cc1    		 N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-Nalpha-[(2E)-3-(3,4-dihydroxyphenyl )prop-2-enoyl]-L-tyrosinamide;
    synthetic Montbretin A analogue
    45585
    ZXW    		 0 C15 H24 N7 O15 P3 S InChI=1S/C15H24N7O15P3S/c
    16-6(15(26)27)1-18-8(23)3
    -41-40(32,33)37-39(30,31)
    36-38(28,29)34-2-7-10(24)
    11(25)14(35-7)22-5-21-9-1
    2(17)19-4-20-13(9)22/h4-7
    ,10-11,14,24-25H,1-3,16H2
    ,(H,18,23)(H,26,27)(H,28,
    29)(H,30,31)(H,32,33)(H2,
    17,19,20)/t6-,7+,10+,11+,
    14+/m0/s1;
    XOFIPCWNRZKVRI-LTOLZBHSSA-N    		 N[C@@H](CNC(=O)CS[P](O)(=O)O[P](O)(=O)O[
    P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O
    )n2cnc3c(N)ncnc23)C(O)=O; c1nc(c2c(n1)n(
    cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)
    (O)SCC(=O)NCC(C(=O)O)N)O)O)N; c1nc(c2c(n
    1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP
    (=O)(O)OP(=O)(O)OP(=O)(O)SCC(=O)NC[C@@H]
    (C(=O)O)N)O)O)N; NC(CNC(CSP(OP(OP(=O)(O)
    OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)(=O)O)(O
    )=O)=O)C=O; N[CH](CNC(=O)CS[P](O)(=O)O[P
    ](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[
    CH]1O)n2cnc3c(N)ncnc23)C(O)=O    		 5'-O-[(S)-{[(R)-{[(R)-[(2-{[(2S)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
    45586
    ZXX    		 1 C22 H32 N4 O6 InChI=1S/C22H32N4O6/c1-13
    (2)19(23-14(3)27)20(29)24
    -18(12-15-7-5-8-16(28)11-
    15)21(30)26-10-6-9-17(25-
    26)22(31)32-4/h5,7-8,11,1
    3,17-19,25,28H,6,9-10,12H
    2,1-4H3,(H,23,27)(H,24,29
    )/t17-,18-,19-/m0/s1;
    IUZKEOQGDGPKJY-FHWLQOOXSA-N    		 COC(=O)[CH]1CCCN(N1)C(=O)[CH](Cc2cccc(O)
    c2)NC(=O)[CH](NC(C)=O)C(C)C; O=C(N1CCCC(
    N1)C(=O)OC)C(Cc1cccc(O)c1)NC(=O)C(NC(C)=
    O)C(C)C; COC(=O)[C@@H]1CCCN(N1)C(=O)[C@H
    ](Cc2cccc(O)c2)NC(=O)[C@@H](NC(C)=O)C(C)
    C; CC(C)[C@@H](C(=O)N[C@@H](Cc1cccc(c1)O
    )C(=O)N2CCC[C@H](N2)C(=O)OC)NC(=O)C; CC(
    C)C(C(=O)NC(Cc1cccc(c1)O)C(=O)N2CCCC(N2)
    C(=O)OC)NC(=O)C    		 methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate
    45587
    ZXY    		 1 C32 H30 N2 O11 InChI=1S/C32H30N2O11/c35-
    19-15-25(40)28-26(16-19)4
    5-30(18-6-8-22(37)24(39)1
    4-18)31(29(28)42)44-12-2-
    10-33-32(43)20-3-1-11-34(
    20)27(41)9-5-17-4-7-21(36
    )23(38)13-17/h4-9,13-16,2
    0,35-40H,1-3,10-12H2,(H,3
    3,43)/b9-5+/t20-/m0/s1;
    MYJPTGWVMBCTRI-MRSBXDGLSA-N    		 N4(C(C(=O)NCCCOC=1C(c3c(OC=1c2ccc(c(c2)O
    )O)cc(cc3O)O)=O)CCC4)C(=O)[C@H]=[C@H]c5c
    cc(c(c5)O)O; Oc1cc(O)c2C(=O)C(=C(Oc2c1)c
    3ccc(O)c(O)c3)OCCCNC(=O)[CH]4CCCN4C(=O)C
    =Cc5ccc(O)c(O)c5; Oc1cc(O)c2C(=O)C(=C(Oc
    2c1)c3ccc(O)c(O)c3)OCCCNC(=O)[C@@H]4CCCN
    4C(=O)/C=C/c5ccc(O)c(O)c5; c1cc(c(cc1/C=
    C/C(=O)N2CCC[C@H]2C(=O)NCCCOC3=C(Oc4cc(c
    c(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O; c1cc(c(
    cc1C=CC(=O)N2CCCC2C(=O)NCCCOC3=C(Oc4cc(c
    c(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O    		 N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide;
    Montbretin A analogue M06-MbA
    45588
    ZXZ
    CHEMBL60376
    ZINC000000032147    		 4 C11 H11 N O InChI=1S/C11H11NO/c1-8-7-
    11(13)12(2)10-6-4-3-5-9(8
    )10/h3-7H,1-2H3;
    CEONKCOBRZOYJS-UHFFFAOYSA-N    		 CC1=CC(=O)N(c2c1cccc2)C; CN1C(=O)C=C(C)c
    2ccccc12; O=C2C=C(c1c(cccc1)N2C)C    		 1,4-dimethylquinolin-2(1H)-one
    45589
    ZY0
    CHEMBL501958
    ZINC000038998461    		 1 C34 H35 F3 N4 O3 InChI=1S/C34H35F3N4O3/c1-
    2-24-13-14-39-32-27(24)18
    -25(19-29(32)41-15-7-12-3
    1(41)43)33(44)40-28(17-22
    -8-4-3-5-9-22)30(42)21-38
    -20-23-10-6-11-26(16-23)3
    4(35,36)37/h3-6,8-11,13-1
    4,16,18-19,28,30,38,42H,2
    ,7,12,15,17,20-21H2,1H3,(
    H,40,44)/t28-,30+/m0/s1;
    YDNCUOPJVVQEMT-MFMCTBQISA-N    		 FC(F)(F)c1cccc(c1)CNCC(O)C(NC(=O)c3cc2c(
    nccc2CC)c(c3)N4C(=O)CCC4)Cc5ccccc5; CCc1
    ccnc2c(cc(cc12)C(=O)N[CH](Cc3ccccc3)[CH]
    (O)CNCc4cccc(c4)C(F)(F)F)N5CCCC5=O; CCc1
    ccnc2c1cc(cc2N3CCCC3=O)C(=O)NC(Cc4ccccc4
    )C(CNCc5cccc(c5)C(F)(F)F)O; CCc1ccnc2c1c
    c(cc2N3CCCC3=O)C(=O)N[C@@H](Cc4ccccc4)[C
    @@H](CNCc5cccc(c5)C(F)(F)F)O; CCc1ccnc2c
    (cc(cc12)C(=O)N[C@@H](Cc3ccccc3)[C@H](O)
    CNCc4cccc(c4)C(F)(F)F)N5CCCC5=O    		 N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-4-ETHYL-8-(2-OXOPYRROLIDIN-1-YL)QUINOLINE-6-CARBOXAMIDE
    45590
    ZY1
    CHEMBL539436
    ZINC000038998652    		 1 C32 H38 N4 O5 S InChI=1S/C32H38N4O5S/c1-4
    -24-21-36-13-14-42(39,40)
    35(2)29-18-25(17-27(24)31
    (29)36)32(38)34-28(16-22-
    9-6-5-7-10-22)30(37)20-33
    -19-23-11-8-12-26(15-23)4
    1-3/h5-12,15,17-18,21,28,
    30,33,37H,4,13-14,16,19-2
    0H2,1-3H3,(H,34,38)/t28-,
    30+/m0/s1;
    MNGUVHPNHVMEDL-MFMCTBQISA-N    		 O=C(c2cc3c1n(cc(c1c2)CC)CCS(=O)(=O)N3C)N
    C(Cc4ccccc4)C(O)CNCc5cccc(OC)c5; CCc1cn2
    c3c1cc(cc3N(S(=O)(=O)CC2)C)C(=O)NC(Cc4cc
    ccc4)C(CNCc5cccc(c5)OC)O; CCc1cn2CC[S](=
    O)(=O)N(C)c3cc(cc1c23)C(=O)N[CH](Cc4cccc
    c4)[CH](O)CNCc5cccc(OC)c5; CCc1cn2CC[S](
    =O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc4c
    cccc4)[C@H](O)CNCc5cccc(OC)c5; CCc1cn2c3
    c1cc(cc3[N@](S(=O)(=O)CC2)C)C(=O)N[C@@H]
    (Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O    		 N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide
    45591
    ZY2
    ZINC000038998944    		 1 C32 H41 N5 O5 S InChI=1S/C32H41N5O5S/c1-4
    -36-13-14-37-15-16-43(40,
    41)35(2)28-19-25(20-29(36
    )31(28)37)32(39)34-27(18-
    23-9-6-5-7-10-23)30(38)22
    -33-21-24-11-8-12-26(17-2
    4)42-3/h5-12,17,19-20,27,
    30,33,38H,4,13-16,18,21-2
    2H2,1-3H3,(H,34,39)/t27-,
    30+/m0/s1;
    UKAHVQYVCSVAKY-BHBYDHKZSA-N    		 CCN1CCN2CCS(=O)(=O)N(c3c2c1cc(c3)C(=O)NC
    (Cc4ccccc4)C(CNCc5cccc(c5)OC)O)C; CCN1CC
    N2CCS(=O)(=O)[N@](c3c2c1cc(c3)C(=O)N[C@@
    H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O)C;
    O=C(NC(Cc1ccccc1)C(O)CNCc2cccc(OC)c2)c5
    cc4c3c(N(CCN3CCS(=O)(=O)N4C)CC)c5; CCN1C
    CN2CC[S](=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C
    @@H](Cc4ccccc4)[C@H](O)CNCc5cccc(OC)c5;
    CCN1CCN2CC[S](=O)(=O)N(C)c3cc(cc1c23)C(=
    O)N[CH](Cc4ccccc4)[CH](O)CNCc5cccc(OC)c5    		 N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-8-ETHYL-1-METHYL-3,4,7,8-TETRAHYDRO-1H,6H-[1,2,5]THIADIAZEPINO[5,4,3-DE]QUINOXALINE-10-CARBOXAMIDE 2,2-DIOXIDE
    45592
    ZY3
    ZINC000038998991    		 1 C31 H40 N4 O5 S InChI=1S/C31H40N4O5S/c1-4
    -33-27-18-24(19-29-26(27)
    14-9-15-41(38,39)35(29)2)
    31(37)34-28(17-22-10-6-5-
    7-11-22)30(36)21-32-20-23
    -12-8-13-25(16-23)40-3/h5
    -8,10-13,16,18-19,28,30,3
    2-33,36H,4,9,14-15,17,20-
    21H2,1-3H3,(H,34,37)/t28-
    ,30+/m0/s1;
    JAQQVYMOVUUAHB-MFMCTBQISA-N    		 CCNc1cc(cc2N(C)[S](=O)(=O)CCCc12)C(=O)N[
    CH](Cc3ccccc3)[CH](O)CNCc4cccc(OC)c4; CC
    Nc1cc(cc2N(C)[S](=O)(=O)CCCc12)C(=O)N[C@
    @H](Cc3ccccc3)[C@H](O)CNCc4cccc(OC)c4; C
    CNc1cc(cc2c1CCCS(=O)(=O)N2C)C(=O)N[C@@H]
    (Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O; O=C
    (c1cc2c(c(NCC)c1)CCCS(=O)(=O)N2C)NC(Cc3c
    cccc3)C(O)CNCc4cccc(OC)c4; CCNc1cc(cc2c1
    CCCS(=O)(=O)N2C)C(=O)NC(Cc3ccccc3)C(CNCc
    4cccc(c4)OC)O    		 N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-6-(ETHYLAMINO)-1-METHYL-1,3,4,5-TETRAHYDRO-2,1-BENZOTHIAZEPINE-8-CARBOXAMIDE 2,2-DIOXIDE
    45593
    ZY4
    ZINC000038998945    		 1 C29 H38 N4 O6 S InChI=1S/C29H38N4O6S/c1-3
    -33-18-21-11-14-40(37,38)
    32(2)24-16-22(17-25(33)27
    (21)24)28(34)31-26(15-20-
    7-5-4-6-8-20)29(35,36)19-
    30-23-9-12-39-13-10-23/h4
    -8,16-18,23,26,30,35-36H,
    3,9-15,19H2,1-2H3,(H,31,3
    4)/t26-/m0/s1;
    LMEDJLLRHRUTJN-SANMLTNESA-N    		 CCn1cc2c3c1cc(cc3N(S(=O)(=O)CC2)C)C(=O)N
    C(Cc4ccccc4)C(CNC5CCOCC5)(O)O; CCn1cc2CC
    [S](=O)(=O)N(C)c3cc(cc1c23)C(=O)N[CH](Cc
    4ccccc4)C(O)(O)CNC5CCOCC5; O=C(NC(Cc1ccc
    cc1)C(O)(O)CNC2CCOCC2)c5cc3n(cc4c3c(N(C)
    S(=O)(=O)CC4)c5)CC; CCn1cc2c3c1cc(cc3N(S
    (=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)C(C
    NC5CCOCC5)(O)O; CCn1cc2CC[S](=O)(=O)N(C)
    c3cc(cc1c23)C(=O)N[C@@H](Cc4ccccc4)C(O)(
    O)CNC5CCOCC5    		 N-[(1S)-1-BENZYL-2,2-DIHYDROXY-3-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)PROPYL]-6-ETHYL-1-METHYL-1,3,4,6-TETRAHYDRO[1,2]THIAZEPINO[5,4,3-CD]INDOLE-8-CARBOXAMIDE 2,2-DIOXIDE
    45594
    ZY5
    CHEMBL1162395
    ZINC000040950313    		 10 C18 H18 N2 O2 InChI=1S/C18H18N2O2/c1-22
    -17-11-16(21)7-6-13(17)10
    -14-4-3-9-20-18(14)15-5-2
    -8-19-12-15/h2,5-8,10-12,
    21H,3-4,9H2,1H3/b14-10+;
    KXAAIPFSUGPVMQ-GXDHUFHOSA-N    		 COc1cc(O)ccc1\C=C2/CCCN=C2c3cccnc3; COc1
    cc(ccc1\C=C\2/CCCN=C2c3cccnc3)O; Oc1ccc(
    c(OC)c1)\C=C2\C(=NCCC2)c3cccnc3; COc1cc(
    O)ccc1C=C2CCCN=C2c3cccnc3; COc1cc(ccc1C=
    C2CCCN=C2c3cccnc3)O    		 4-[(E)-5,6-DIHYDRO-2,3'-BIPYRIDIN-3(4H)-YLIDENEMETHYL]-3-METHOXYPHENOL
    45595
    ZY6
    CHEMBL562314
    DB08774
    ZINC000039001862    		 1 C17 H19 N5 O InChI=1S/C17H19N5O/c18-8-
    13-11-22(6-7-23-13)16-14(
    12-4-2-1-3-5-12)9-19-17-1
    5(16)10-20-21-17/h1-5,9-1
    0,13H,6-8,11,18H2,(H,19,2
    0,21)/t13-/m0/s1;
    YBRZCAKSBYWZTC-ZDUSSCGKSA-N    		 n2cc1c(c(cnc1n2)c3ccccc3)N4CC(OCC4)CN; c
    1ccc(cc1)c2cnc3c(c2N4CCO[C@H](C4)CN)cn[n
    H]3; NC[C@H]1CN(CCO1)c2c3cn[nH]c3ncc2c4c
    cccc4; NC[CH]1CN(CCO1)c2c3cn[nH]c3ncc2c4
    ccccc4; c1ccc(cc1)c2cnc3c(c2N4CCOC(C4)CN
    )cn[nH]3    		 1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine
    45596
    ZY7
    CHEMBL134713
    DB05708
    ZINC000000000860    		 10 C19 H20 N2 O2 InChI=1S/C19H20N2O2/c1-22
    -17-8-7-14(18(12-17)23-2)
    11-15-5-4-10-21-19(15)16-
    6-3-9-20-13-16/h3,6-9,11-
    13H,4-5,10H2,1-2H3/b15-11
    +;
    RPYWXZCFYPVCNQ-RVDMUPIBSA-N    		 COc1ccc(\C=C2/CCCN=C2c3cccnc3)c(OC)c1; O
    (c1ccc(c(OC)c1)\C=C2\C(=NCCC2)c3cccnc3)C
    ; COc1ccc(c(c1)OC)\C=C\2/CCCN=C2c3cccnc3
    ; COc1ccc(c(c1)OC)C=C2CCCN=C2c3cccnc3; C
    Oc1ccc(C=C2CCCN=C2c3cccnc3)c(OC)c1    		 (3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLIDENE]-3,4,5,6-TETRAHYDRO-2,3'-BIPYRIDINE
    45597
    ZY8
    CHEMBL100940
    ZINC000003874478    		 8 C26 H25 N O4 InChI=1S/C26H25NO4/c28-18
    -8-7-15-11-20-26(29)12-17
    -16-3-1-2-4-19(16)30-22(1
    7)24-25(26,21(15)23(18)31
    -24)9-10-27(20)13-14-5-6-
    14/h1-4,7-8,14,20,24,28-2
    9H,5-6,9-13H2/t20-,24+,25
    +,26-/m1/s1;
    ZHVWWEYETMPAMX-IFKAHUTRSA-N    		 c1ccc2c(c1)c3c(o2)C4C56CCN(C(C5(C3)O)Cc7
    c6c(c(cc7)O)O4)CC8CC8; Oc1ccc2C[CH]3N(CC
    [C]45[CH](Oc1c24)c6oc7ccccc7c6C[C]35O)CC
    8CC8; c1ccc2c(c1)c3c(o2)[C@H]4[C@@]56CCN
    ([C@@H]([C@@]5(C3)O)Cc7c6c(c(cc7)O)O4)CC
    8CC8; Oc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc
    1c24)c6oc7ccccc7c6C[C@@]35O)CC8CC8; OC12
    Cc3c(oc4ccccc43)C3Oc4c(O)ccc5CC1N(CC1CC1
    )CCC32c54    		 (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol
    45598
    ZY9
    ZINC000035269649    		 0 C7 H8 N2 O2 InChI=1S/C7H8N2O2/c8-4-5-
    2-1-3-6(9-5)7(10)11/h1-3H
    ,4,8H2,(H,10,11);
    KKWKBQBRQWNTPN-UHFFFAOYSA-N    		 NCc1cccc(n1)C(O)=O; c1cc(nc(c1)C(=O)O)CN 6-(aminomethyl)pyridine-2-carboxylic acid
    45599
    ZYA
    CHEMBL68828
    DB08775
    ZINC000026272137    		 1 C21 H23 F N2 O5 InChI=1S/C21H23FN2O5/c1-1
    4(19(26)12-22)23-20(27)18
    (11-15-7-9-17(25)10-8-15)
    24-21(28)29-13-16-5-3-2-4
    -6-16/h2-10,14,18,25H,11-
    13H2,1H3,(H,23,27)(H,24,2
    8)/t14-,18-/m0/s1;
    RYABQRLJLIHDIP-KSSFIOAISA-N    		 CC(C(=O)CF)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=
    O)OCc2ccccc2; C[C@H](NC(=O)[C@H](Cc1ccc(
    O)cc1)NC(=O)OCc2ccccc2)C(=O)CF; C[CH](NC
    (=O)[CH](Cc1ccc(O)cc1)NC(=O)OCc2ccccc2)C
    (=O)CF; FCC(=O)C(NC(=O)C(NC(=O)OCc1ccccc
    1)Cc2ccc(O)cc2)C; CC(C(=O)CF)NC(=O)C(Cc1
    ccc(cc1)O)NC(=O)OCc2ccccc2    		 BENZOYL-TYROSINE-ALANINE-FLUORO-METHYL KETONE;
    Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-L-tyrosinamide
    45600
    ZYB
    ZINC000012649842    		 0 C7 H7 F N2 O InChI=1S/C7H7FN2O/c8-6-3-
    1-5(2-4-6)7(9)10-11/h1-4,
    11H,(H2,9,10);
    OSUPWUQRPLIJKX-UHFFFAOYSA-N    		 NC(=N\O)/c1ccc(F)cc1; NC(=NO)c1ccc(F)cc1
    ; c1cc(ccc1C(=NO)N)F; c1cc(ccc1/C(=N/O)/
    N)F; Fc1ccc(C(=N\O)\N)cc1    		 4-Fluorobenzamidoxime
    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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