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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
    43601
    Z63
    CHEMBL2377853
    ZINC000095920620    		 1 C12 H12 N4 O S InChI=1S/C12H12N4OS/c1-2-
    5-15-12-16-11(13)10(18-12
    )9(17)8-3-6-14-7-4-8/h2-4
    ,6-7H,1,5,13H2,(H,15,16);
    JYLDWTJXERPEGH-UHFFFAOYSA-N    		 Nc1nc(NCC=C)sc1C(=O)c2ccncc2; C=CCNc1nc(
    c(s1)C(=O)c2ccncc2)N; O=C(c1sc(nc1N)NC\C
    =C)c2ccncc2    		 [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-4-yl)methanone
    43602
    Z64
    CHEMBL1236930
    ZINC000058650871    		 1 C18 H21 N7 O InChI=1S/C18H21N7O/c1-12-
    13(15(24-23-12)14-7-5-9-2
    6-14)6-3-4-8-25(2)18-16-1
    7(20-10-19-16)21-11-22-18
    /h5,7,9-11H,3-4,6,8H2,1-2
    H3,(H,23,24)(H,19,20,21,2
    2);
    PBUASXAIYKZEKU-UHFFFAOYSA-N    		 Cc1c(c([nH]n1)c2ccco2)CCCCN(C)c3c4c(nc[n
    H]4)ncn3; CN(CCCCc1c(C)n[nH]c1c2occc2)c3
    ncnc4nc[nH]c34; n1c(c(c(n1)c2occc2)CCCCN
    (c4ncnc3ncnc34)C)C    		 N-[4-(5-furan-2-yl-3-methyl-1H-pyrazol-4-yl)butyl]-N-methyl-7H-purin-6-amine
    43603
    Z67
    ZINC000095920669    		 1 C16 H13 F2 N5 O3 S2 InChI=1S/C16H13F2N5O3S2/c
    17-10-2-1-3-11(18)12(10)2
    2-15(24)13-14(19)23-16(27
    -13)21-8-4-6-9(7-5-8)28(2
    0,25)26/h1-7H,19H2,(H,21,
    23)(H,22,24)(H2,20,25,26);
    FQEUBNKUJIJESK-UHFFFAOYSA-N    		 c1cc(c(c(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3
    )S(=O)(=O)N)N)F; Fc1cccc(F)c1NC(=O)c2sc(
    nc2N)Nc3ccc(cc3)S(=O)(=O)N; Nc1nc(Nc2ccc
    (cc2)[S](N)(=O)=O)sc1C(=O)Nc3c(F)cccc3F    		 4-amino-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
    43604
    Z68
    ZINC000095920697    		 1 C16 H18 N4 O3 S InChI=1S/C16H18N4O3S/c17-
    15-14(13(21)10-5-4-8-12(9
    -10)20(22)23)24-16(19-15)
    18-11-6-2-1-3-7-11/h4-5,8
    -9,11H,1-3,6-7,17H2,(H,18
    ,19);
    FLLZFUOEZYWLNJ-UHFFFAOYSA-N    		 Nc1nc(NC2CCCCC2)sc1C(=O)c3cccc(c3)[N+]([
    O-])=O; c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c
    (nc(s2)NC3CCCCC3)N; [O-][N+](=O)c1cccc(c
    1)C(=O)c2sc(nc2N)NC3CCCCC3    		 [4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone
    43605
    Z69    		 1 C72 H141 O24 P InChI=1S/C72H141O24P/c1-5
    -8-11-14-17-19-21-23-25-2
    7-29-35-41-46-57(75)89-51
    -55-60(78)62(80)67(85)72(
    93-55)95-69-65(83)63(81)6
    4(82)68(94-71-66(84)61(79
    )59(77)54(48-73)92-71)70(
    69)96-97(86,87)90-50-53(9
    1-58(76)47-42-37-30-28-26
    -24-22-20-18-15-12-9-6-2)
    49-88-56(74)45-40-36-32-3
    1-34-39-44-52(4)43-38-33-
    16-13-10-7-3/h52-85H,5-51
    H2,1-4H3,(H,86,87)/t52-,5
    3+,54-,55-,56-,57+,58-,59
    -,60+,61-,62-,63-,64+,65+
    ,66-,67-,68+,69-,70-,71-,
    72+/m0/s1;
    BAUIYLWUNSEMCF-OVJHHBNUSA-N    		 CCCCCCCCCCCCCCC[C@H](O)OC[C@@H]1O[C@H](O
    [C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O
    [C@@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]
    3O)[C@@H]2O[P](O)(=O)OC[C@@H](CO[C@H](O)
    CCCCCCCC[C@@H](C)CCCCCCCC)O[C@H](O)CCCCC
    CCCCCCCCCC)[C@@H](O)[C@@H](O)[C@@H]1O; C
    CCCCCCCCCCCCCC[CH](O)OC[CH]1O[CH](O[CH]2
    [CH](O)[CH](O)[CH](O)[CH](O[CH]3O[CH](CO
    )[CH](O)[CH](O)[CH]3O)[CH]2O[P](O)(=O)OC
    [CH](CO[CH](O)CCCCCCCC[CH](C)CCCCCCCC)O[
    CH](O)CCCCCCCCCCCCCCC)[CH](O)[CH](O)[CH]
    1O; CCCCCCCCCCCCCCCC(O)OCC1C(C(C(C(O1)OC
    2C(C(C(C(C2OP(=O)(O)OCC(COC(CCCCCCCCC(C)
    CCCCCCCC)O)OC(CCCCCCCCCCCCCCC)O)OC3C(C(C
    (C(O3)CO)O)O)O)O)O)O)O)O)O; O=P(OCC(OC(O
    )CCCCCCCCCCCCCCC)COC(O)CCCCCCCCC(C)CCCCC
    CCC)(O)OC3C(OC1OC(C(O)C(O)C1O)COC(O)CCCC
    CCCCCCCCCCC)C(O)C(O)C(O)C3OC2OC(CO)C(O)C
    (O)C2O; CCCCCCCCCCCCCCC[C@H](O)OC[C@H]1[
    C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H
    ]([C@H]([C@H]([C@H]([C@@H]2O[P@](=O)(O)O
    C[C@@H](CO[C@@H](CCCCCCCC[C@@H](C)CCCCCC
    CC)O)O[C@@H](CCCCCCCCCCCCCCC)O)O[C@H]3[C
    @H]([C@H]([C@H]([C@@H](O3)CO)O)O)O)O)O)O
    )O)O)O
    43606
    Z6F    		 1 C19 H26 Cl F N4 O3 InChI=1S/C19H26ClFN4O3/c1
    -23-4-6-24(7-5-23)19(28)2
    5-10-13(12-26)8-14(11-25)
    18(27)22-15-2-3-16(20)17(
    21)9-15/h2-3,9,13-14,26H,
    4-8,10-12H2,1H3,(H,22,27)
    /t13-,14+/m1/s1;
    YJQIDERPUXKPOK-KGLIPLIRSA-N    		 CN1CCN(CC1)C(=O)N2CC(CC(C2)C(=O)Nc3ccc(c
    (c3)F)Cl)CO; CN1CCN(CC1)C(=O)N2C[CH](CO)
    C[CH](C2)C(=O)Nc3ccc(Cl)c(F)c3; CN1CCN(C
    C1)C(=O)N2C[C@H](CO)C[C@@H](C2)C(=O)Nc3c
    cc(Cl)c(F)c3; O=C(N1CCN(C)CC1)N1CC(CC(CO
    )C1)C(=O)Nc1ccc(Cl)c(F)c1; CN1CCN(CC1)C(
    =O)N2C[C@@H](C[C@@H](C2)C(=O)Nc3ccc(c(c3
    )F)Cl)CO    		 (3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide
    43607
    Z6G    		 0 C6 H14 N O3 InChI=1S/C6H13NO3/c1-3-6(
    9)4(7)2-5(8)10-3/h3-6,8-9
    H,2,7H2,1H3/p+1/t3-,4-,5+
    ,6-/m0/s1;
    BBMKQGIZNKEDOX-AZGQCCRYSA-O    		 CC1C(C(CC(O1)O)[NH3+])O; C[C@H]1[C@@H]([
    C@H](C[C@@H](O1)O)[NH3+])O; C[CH]1O[CH](
    O)C[CH]([NH3+])[CH]1O; C[C@@H]1O[C@@H](O
    )C[C@H]([NH3+])[C@H]1O; OC1C(OC(O)CC1[NH
    3+])C    		 3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranose
    43608
    Z6H
    ZINC000000896167    		 2 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3-,4-,5+,6+/m
    0/s1;
    WQZGKKKJIJFFOK-FQJSGBEDSA-N    		 OC[C@@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H
    ]1O; C(C1C(C(C(C(O1)O)O)O)O)O; C([C@H]1[
    C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O;
    OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O; OC1
    C(O)C(OC(O)C1O)CO    		 alpha-L-altropyranose;
    alpha-L-altrose;
    L-altrose;
    altrose
    43609
    Z6I
    ZINC000082403329    		 1 C9 H15 N3 InChI=1S/C9H15N3/c1-7-9(6
    -11-12-7)8-2-4-10-5-3-8/h
    6,8,10H,2-5H2,1H3,(H,11,1
    2);
    RUDBDQGQYSXYGD-UHFFFAOYSA-N    		 Cc1[nH]ncc1C2CCNCC2; Cc1c(cn[nH]1)C2CCNC
    C2; Cc1[NH]ncc1C1CCNCC1    		 4-(5-methyl-1H-pyrazol-4-yl)piperidine
    43610
    Z6J
    ZINC000000895052    		 5 C5 H10 O5 InChI=1S/C5H10O5/c6-1-2-3
    (7)4(8)5(9)10-2/h2-9H,1H2
    /t2-,3-,4-,5+/m0/s1;
    HMFHBZSHGGEWLO-NEEWWZBLSA-N    		 C([C@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O;
    OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H]1O; C(
    C1C(C(C(O1)O)O)O)O; OC[CH]1O[CH](O)[CH](
    O)[CH]1O; OC1C(OC(O)C1O)CO    		 alpha-L-ribofuranose;
    alpha-L-ribose;
    L-ribose;
    ribose
    43611
    Z6P
    CHEMBL4869882    		 1 C24 H22 F2 N4 O3 InChI=1S/C24H22F2N4O3/c1-
    12-6-18(30-24(33)21(31)13
    -7-15(25)10-16(26)8-13)4-
    5-19(12)14-9-20(22(27)28-
    11-14)23(32)29-17-2-3-17/
    h4-11,17,21,31H,2-3H2,1H3
    ,(H2,27,28)(H,29,32)(H,30
    ,33)/t21-/m1/s1;
    ZAEWPVUVQVUGEE-OAQYLSRUSA-N    		 Cc1cc(NC(=O)[CH](O)c2cc(F)cc(F)c2)ccc1c3
    cnc(N)c(c3)C(=O)NC4CC4; O=C(NC1CC1)c1cc(
    cnc1N)c1ccc(NC(=O)C(O)c2cc(F)cc(F)c2)cc1
    C; Cc1cc(ccc1c2cc(c(nc2)N)C(=O)NC3CC3)NC
    (=O)[C@@H](c4cc(cc(c4)F)F)O; Cc1cc(NC(=O
    )[C@H](O)c2cc(F)cc(F)c2)ccc1c3cnc(N)c(c3
    )C(=O)NC4CC4; Cc1cc(ccc1c2cc(c(nc2)N)C(=
    O)NC3CC3)NC(=O)C(c4cc(cc(c4)F)F)O    		 2-amino-N-cyclopropyl-5-(4-{[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide
    43612
    Z6V
    CHEMBL5095202
    DB17520    		 1 C23 H25 N7 O2 InChI=1S/C23H25N7O2/c1-14
    (2)27-23-25-12-18(22(31)3
    0(23)5)19-6-7-21(15(3)28-
    19)32-17-8-9-24-20(10-17)
    16-11-26-29(4)13-16/h6-14
    H,1-5H3,(H,25,27);
    TVGAHWWPABTBCX-UHFFFAOYSA-N    		 Cn1cc(cn1)c1nccc(Oc2ccc(nc2C)C2=CN=C(NC(
    C)C)N(C)C2=O)c1; Cc1c(ccc(n1)C2=CN=C(N(C
    2=O)C)NC(C)C)Oc3ccnc(c3)c4cnn(c4)C; CC(C
    )NC1=NC=C(C(=O)N1C)c2ccc(Oc3ccnc(c3)c4cn
    n(C)c4)c(C)n2    		 Vimseltinib;
    3-methyl-5-(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)-2-[(propan-2-yl)amino]pyrimidin-4(3H)-one
    43613
    Z6W    		 1 C14 H28 O6 InChI=1S/C14H28O6/c1-2-3-
    4-5-6-7-10(16)8-11-12(17)
    13(18)14(19,9-15)20-11/h1
    0-13,15-19H,2-9H2,1H3/t10
    -,11-,12-,13+,14-/m1/s1;
    ACFOUPJNYNVPQE-XGFWRYKXSA-N    		 CCCCCCCC(C[C@@H]1[C@H]([C@@H]([C@](O1)(C
    O)O)O)O)O; OC1C(O)C(OC1(O)CO)CC(O)CCCCCC
    C; CCCCCCC[C@@H](O)C[C@H]1O[C@](O)(CO)[C
    @@H](O)[C@@H]1O; CCCCCCCC(CC1C(C(C(O1)(C
    O)O)O)O)O; CCCCCCC[CH](O)C[CH]1O[C](O)(C
    O)[CH](O)[CH]1O    		 (5R)-5-[(2R)-2-hydroxynonyl]-beta-D-xylulofuranose
    43614
    Z6X
    ZINC000032838976    		 2 C14 H26 O3 InChI=1S/C14H26O3/c1-2-3-
    4-5-6-7-8-9-10-11-13(15)1
    2-14(16)17/h2-12H2,1H3,(H
    ,16,17);
    XLKOZYOVXNPWGT-UHFFFAOYSA-N    		 O=C(CCCCCCCCCCC)CC(=O)O; CCCCCCCCCCCC(=O
    )CC(O)=O; CCCCCCCCCCCC(=O)CC(=O)O    		 3-oxotetradecanoic acid
    43615
    Z70
    CHEMBL1099168
    ZINC000049089469    		 2 C7 H12 N4 O2 InChI=1S/C7H12N4O2/c8-5(6
    (12)13)2-1-4-3-10-7(9)11-
    4/h3,5H,1-2,8H2,(H,12,13)
    (H3,9,10,11)/t5-/m0/s1;
    FXIIKDXCDODGRI-YFKPBYRVSA-N    		 N[C@@H](CCc1[nH]c(N)nc1)C(O)=O; O=C(O)C(
    N)CCc1cnc(N)n1; c1c([nH]c(n1)N)CC[C@@H](
    C(=O)O)N; N[CH](CCc1[nH]c(N)nc1)C(O)=O;
    c1c([nH]c(n1)N)CCC(C(=O)O)N    		 (2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic acid;
    2-aminohomohistidine
    43616
    Z71
    ZINC000095920773    		 1 C16 H13 F2 N5 O3 S2 InChI=1S/C16H13F2N5O3S2/c
    17-8-5-9(18)7-11(6-8)21-1
    5(24)13-14(19)23-16(27-13
    )22-10-1-3-12(4-2-10)28(2
    0,25)26/h1-7H,19H2,(H,21,
    24)(H,22,23)(H2,20,25,26);
    XTIMXWZYVZMPGC-UHFFFAOYSA-N    		 Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)Nc
    3cc(F)cc(F)c3; c1cc(ccc1Nc2nc(c(s2)C(=O)
    Nc3cc(cc(c3)F)F)N)S(=O)(=O)N; Fc1cc(cc(F
    )c1)NC(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O)
    N    		 4-amino-N-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide
    43617
    Z72
    CHEMBL1096812
    ZINC000100103896    		 8 C20 H18 Cl2 N2 O4 InChI=1S/C20H18Cl2N2O4/c1
    -26-16-7-6-12-15(24-18-13
    (21)9-23-10-14(18)22)8-17
    (25)28-19(12)20(16)27-11-
    4-2-3-5-11/h6-11H,2-5H2,1
    H3,(H,23,24);
    YUTTWVBLGONANE-UHFFFAOYSA-N    		 COc1ccc2C(=CC(=O)Oc2c1OC3CCCC3)Nc4c(Cl)c
    ncc4Cl; COc1ccc2c(c1OC3CCCC3)OC(=O)C=C2N
    c4c(cncc4Cl)Cl; Clc1cncc(Cl)c1NC=2c4c(OC
    (=O)C=2)c(OC3CCCC3)c(OC)cc4    		 8-(cyclopentyloxy)-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxy-2H-chromen-2-one
    43618
    Z73
    CHEMBL1086110
    ZINC000043206679    		 5 C15 H18 N4 O InChI=1S/C15H18N4O/c1-5-6
    -12-17-10(3)14-9(2)16-11-
    7-8-13(20-4)18-15(11)19(1
    2)14/h7-8H,5-6H2,1-4H3;
    YNADXFWEXJTQSZ-UHFFFAOYSA-N    		 n2c1c(nc(OC)cc1)n3c(c2C)c(nc3CCC)C; CCCc
    1nc(C)c2n1c3nc(OC)ccc3nc2C; CCCc1nc(c2n1
    c3c(ccc(n3)OC)nc2C)C    		 2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine
    43619
    Z74
    CHEMBL1097319
    ZINC000049784328    		 2 C34 H42 F2 N4 O5 S InChI=1S/C34H42F2N4O5S/c1
    -4-12-39(13-5-2)34(43)26-
    16-23(3)15-25(20-26)33(42
    )38-30(19-24-17-27(35)21-
    28(36)18-24)32(41)31-22-4
    0(14-11-37-31)46(44,45)29
    -9-7-6-8-10-29/h6-10,15-1
    8,20-21,30-32,37,41H,4-5,
    11-14,19,22H2,1-3H3,(H,38
    ,42)/t30-,31+,32-/m0/s1;
    KDRUCCZCGHVXGH-QAXCHELISA-N    		 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(c
    c(c2)F)F)C(C3CN(CCN3)S(=O)(=O)c4ccccc4)O
    )C; CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H
    ](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN
    3)S(=O)(=O)c4ccccc4)O)C; O=S(=O)(c1ccccc
    1)N2CC(NCC2)C(O)C(NC(=O)c3cc(cc(C(=O)N(C
    CC)CCC)c3)C)Cc4cc(F)cc(F)c4; CCCN(CCC)C(
    =O)c1cc(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc(F)
    c2)[CH](O)[CH]3CN(CCN3)[S](=O)(=O)c4cccc
    c4; CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@
    @H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]3CN(CCN
    3)[S](=O)(=O)c4ccccc4    		 N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
    43620
    Z75
    CHEMBL1097356
    ZINC000049783893    		 2 C35 H44 F2 N4 O3 InChI=1S/C35H44F2N4O3/c1-
    4-12-41(13-5-2)35(44)28-1
    6-24(3)15-27(20-28)34(43)
    39-31(19-26-17-29(36)21-3
    0(37)18-26)33(42)32-23-40
    (14-11-38-32)22-25-9-7-6-
    8-10-25/h6-10,15-18,20-21
    ,31-33,38,42H,4-5,11-14,1
    9,22-23H2,1-3H3,(H,39,43)
    /t31-,32+,33-/m0/s1;
    ZHZSBUKNHGZRTJ-DSPMFFIESA-N    		 CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(c
    c(c2)F)F)C(C3CN(CCN3)Cc4ccccc4)O)C; CCCN
    (CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(
    cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN3)Cc4ccc
    cc4)O)C; CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O
    )N[CH](Cc2cc(F)cc(F)c2)[CH](O)[CH]3CN(CC
    N3)Cc4ccccc4; CCCN(CCC)C(=O)c1cc(C)cc(c1
    )C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C
    @H]3CN(CCN3)Cc4ccccc4    		 N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
    43621
    Z76
    CHEMBL1097342
    ZINC000049802648    		 2 C35 H42 F2 N4 O6 S InChI=1S/C35H42F2N4O6S/c1
    -22-6-4-8-30(14-22)48(45,
    46)40-11-9-38-32(20-40)33
    (42)31(17-24-15-27(36)19-
    28(37)16-24)39-34(43)25-1
    2-23(2)13-26(18-25)35(44)
    41-10-5-7-29(41)21-47-3/h
    4,6,8,12-16,18-19,29,31-3
    3,38,42H,5,7,9-11,17,20-2
    1H2,1-3H3,(H,39,43)/t29-,
    31+,32-,33+/m1/s1;
    CQQMWBPWYUPVOC-PPESYSCFSA-N    		 Cc1cccc(c1)S(=O)(=O)[N@]2CCN[C@H](C2)[C@
    H]([C@H](Cc3cc(cc(c3)F)F)NC(=O)c4cc(cc(c
    4)C(=O)N5CCC[C@@H]5COC)C)O; COC[CH]1CCCN
    1C(=O)c2cc(C)cc(c2)C(=O)N[CH](Cc3cc(F)cc
    (F)c3)[CH](O)[CH]4CN(CCN4)[S](=O)(=O)c5c
    ccc(C)c5; COC[C@H]1CCCN1C(=O)c2cc(C)cc(c
    2)C(=O)N[C@@H](Cc3cc(F)cc(F)c3)[C@H](O)[
    C@H]4CN(CCN4)[S](=O)(=O)c5cccc(C)c5; Cc1
    cccc(c1)S(=O)(=O)N2CCNC(C2)C(C(Cc3cc(cc(
    c3)F)F)NC(=O)c4cc(cc(c4)C(=O)N5CCCC5COC)
    C)O    		 N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide
    43622
    Z77
    CHEMBL1236932
    ZINC000000920091    		 2 C22 H25 N3 O3 S InChI=1S/C22H25N3O3S/c1-1
    4-9-16-11-17(21(27)24-20(
    16)10-15(14)2)13-25(7-8-2
    6)22(29)23-18-5-4-6-19(12
    -18)28-3/h4-6,9-12,26H,7-
    8,13H2,1-3H3,(H,23,29)(H,
    24,27);
    ANZIHXJDZSQUFB-UHFFFAOYSA-N    		 Cc1cc2c(cc1C)NC(=O)C(=C2)CN(CCO)C(=S)Nc3
    cccc(c3)OC; COc1cccc(NC(=S)N(CCO)CC2=Cc3
    cc(C)c(C)cc3NC2=O)c1    		 1-[(6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(3-methoxyphenyl)thiourea
    43623
    Z78
    CHEMBL1236933
    ZINC000001353006    		 2 C20 H20 F N3 O3 InChI=1S/C20H20FN3O3/c1-1
    3-6-7-17-14(10-13)11-15(1
    9(26)22-17)12-24(8-9-25)2
    0(27)23-18-5-3-2-4-16(18)
    21/h2-7,10-11,25H,8-9,12H
    2,1H3,(H,22,26)(H,23,27);
    IZEKTGGQNDYMPR-UHFFFAOYSA-N    		 Cc1ccc2NC(=O)C(=Cc2c1)CN(CCO)C(=O)Nc3ccc
    cc3F; Cc1ccc2c(c1)C=C(C(=O)N2)CN(CCO)C(=
    O)Nc3ccccc3F    		 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]urea
    43624
    Z79
    CHEMBL83508
    ZINC000010450351    		 2 C9 H12 N2 O5 S InChI=1S/C9H12N2O5S/c1-16
    -7-2-4-8(5-3-7)17(14,15)1
    0-6-9(12)11-13/h2-5,10,13
    H,6H2,1H3,(H,11,12);
    WLZISXXOYYGJNT-UHFFFAOYSA-N    		 COc1ccc(cc1)[S](=O)(=O)NCC(=O)NO; COc1cc
    c(cc1)S(=O)(=O)NCC(=O)NO    		 N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
    43625
    Z7D
    CHEMBL4644629    		 1 C24 H23 F O3 S InChI=1S/C24H23FO3S/c25-2
    1-10-14-23(15-11-21)29(26
    ,27)24(16-4-5-17-24)20-8-
    12-22(13-9-20)28-18-19-6-
    2-1-3-7-19/h1-3,6-15H,4-5
    ,16-18H2;
    IXMWLTXJOWOLAW-UHFFFAOYSA-N    		 Fc1ccc(cc1)[S](=O)(=O)C2(CCCC2)c3ccc(OCc
    4ccccc4)cc3; c1ccc(cc1)COc2ccc(cc2)C3(CC
    CC3)S(=O)(=O)c4ccc(cc4)F; c2c(OCc1ccccc1
    )ccc(c2)C3(CCCC3)S(c4ccc(cc4)F)(=O)=O    		 1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene
    43626
    Z7F    		 1 C33 H32 Cl F2 N O6 S InChI=1S/C33H32ClF2NO6S/c
    34-28-2-1-3-29(36)26(28)1
    9-43-24-11-14-27-22(18-24
    )8-15-30-33(27,44(41,42)2
    5-12-9-23(35)10-13-25)16-
    17-37(30)31(38)20-4-6-21(
    7-5-20)32(39)40/h1-3,9-14
    ,18,20-21,30H,4-8,15-17,1
    9H2,(H,39,40)/t20-,21-,30
    -,33-/m1/s1;
    MWCCYYVYYDJWMW-KYNBKCAXSA-N    		 c1cc(c(c(c1)Cl)COc2ccc3c(c2)CCC4C3(CCN4C
    (=O)C5CCC(CC5)C(=O)O)S(=O)(=O)c6ccc(cc6)
    F)F; c1cc(c(c(c1)Cl)COc2ccc3c(c2)CC[C@@H
    ]4[C@]3(CCN4C(=O)C5CCC(CC5)C(=O)O)S(=O)(
    =O)c6ccc(cc6)F)F; c2(OCc1c(cccc1F)Cl)cc3
    c(cc2)C4(C(CC3)N(CC4)C(=O)C5CCC(CC5)C(=O
    )O)S(c6ccc(cc6)F)(=O)=O; OC(=O)[CH]1CC[C
    H](CC1)C(=O)N2CC[C]3([CH]2CCc4cc(OCc5c(F
    )cccc5Cl)ccc34)[S](=O)(=O)c6ccc(F)cc6; O
    C(=O)[C@H]1CC[C@@H](CC1)C(=O)N2CC[C@@]3(
    [C@H]2CCc4cc(OCc5c(F)cccc5Cl)ccc34)[S](=
    O)(=O)c6ccc(F)cc6    		 trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid
    43627
    Z7G
    CHEMBL4797657
    ZINC000038287605    		 1 C17 H18 Cl2 O3 InChI=1S/C17H18Cl2O3/c1-1
    0(2)13-8-12(4-5-16(13)21-
    3)22-17-14(18)6-11(9-20)7
    -15(17)19/h4-8,10,20H,9H2
    ,1-3H3;
    YJBUGSRJCVSLKC-UHFFFAOYSA-N    		 COc1ccc(Oc2c(Cl)cc(CO)cc2Cl)cc1C(C)C; c1
    (c(Cl)cc(cc1Cl)CO)Oc2ccc(c(c2)C(C)C)OC;
    CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)CO)Cl    		 {3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol
    43628
    Z7H
    CHEMBL4784974    		 1 C23 H22 Cl2 N2 O3 InChI=1S/C23H22Cl2N2O3/c1
    -14(2)18-12-17(6-7-21(18)
    29-3)30-23-19(24)10-16(11
    -20(23)25)27-22(28)9-15-5
    -4-8-26-13-15/h4-8,10-14H
    ,9H2,1-3H3,(H,27,28);
    NSQNWKUVCNRXBW-UHFFFAOYSA-N    		 CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)NC(=O)Cc3
    cccnc3)Cl; COc1ccc(Oc2c(Cl)cc(NC(=O)Cc3c
    ccnc3)cc2Cl)cc1C(C)C; c1(cnccc1)CC(Nc3cc
    (c(Oc2ccc(c(c2)C(C)C)OC)c(c3)Cl)Cl)=O    		 N-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide
    43629
    Z7I
    CHEMBL4796044    		 1 C23 H29 Cl2 N3 O5 S InChI=1S/C23H29Cl2N3O5S/c
    1-14(2)18-12-17(13-26-23(
    18)32-3)33-22-19(24)10-16
    (11-20(22)25)27-21(29)9-1
    5-5-7-28(8-6-15)34(4,30)3
    1/h10-15H,5-9H2,1-4H3,(H,
    27,29);
    CMWKFXBFRJPOBS-UHFFFAOYSA-N    		 c1(c(ncc(c1)Oc2c(Cl)cc(cc2Cl)NC(=O)CC3CC
    N(S(C)(=O)=O)CC3)OC)C(C)C; CC(C)c1cc(cnc
    1OC)Oc2c(cc(cc2Cl)NC(=O)CC3CCN(CC3)S(=O)
    (=O)C)Cl; COc1ncc(Oc2c(Cl)cc(NC(=O)CC3CC
    N(CC3)[S](C)(=O)=O)cc2Cl)cc1C(C)C    		 N-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide
    43630
    Z7N    		 1 C21 H30 Cl F N4 O3 InChI=1S/C21H30ClFN4O3/c1
    -13-8-26(9-14(2)25(13)3)2
    1(30)27-10-15(12-28)6-16(
    11-27)20(29)24-17-4-5-18(
    22)19(23)7-17/h4-5,7,13-1
    6,28H,6,8-12H2,1-3H3,(H,2
    4,29)/t13-,14+,15-,16+/m1
    /s1;
    ICLRAUCRFDHWBU-QXSJWSMHSA-N    		 CC1CN(CC(N1C)C)C(=O)N2CC(CC(C2)C(=O)Nc3c
    cc(c(c3)F)Cl)CO; C[C@@H]1CN(C[C@@H](N1C)
    C)C(=O)N2C[C@@H](C[C@@H](C2)C(=O)Nc3ccc(
    c(c3)F)Cl)CO; C[CH]1CN(C[CH](C)N1C)C(=O)
    N2C[CH](CO)C[CH](C2)C(=O)Nc3ccc(Cl)c(F)c
    3; C[C@@H]1CN(C[C@H](C)N1C)C(=O)N2C[C@H]
    (CO)C[C@@H](C2)C(=O)Nc3ccc(Cl)c(F)c3; CC
    1CN(CC(C)N1C)C(=O)N1CC(CC(CO)C1)C(=O)Nc1
    ccc(Cl)c(F)c1    		 (3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide
    43631
    Z7P    		 8 C23 H33 N4 O20 P3 InChI=1S/C23H33N4O20P3/c1
    -9-16(29)12(11(5-24-9)7-4
    2-48(35,36)37)6-25-15-10(
    2)44-22(20(33)18(15)31)46
    -50(40,41)47-49(38,39)43-
    8-13-17(30)19(32)21(45-13
    )27-4-3-14(28)26-23(27)34
    /h3-6,10,13,15,17-22,29-3
    3H,7-8H2,1-2H3,(H,38,39)(
    H,40,41)(H,26,28,34)(H2,3
    5,36,37)/b25-6+/t10-,13-,
    15-,17-,18+,19-,20-,21-,2
    2-/m1/s1;
    YCGRRMXEGFNOLB-XUIBUIKDSA-N    		 O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O
    )OC2OC(C)C(/N=C/c3c(COP(=O)(O)O)cnc(C)c3
    O)C(O)C2O)C(O)C1O; C[C@H]1O[C@H](O[P](O)
    (=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C
    @@H]2O)N3C=CC(=O)NC3=O)[C@H](O)[C@@H](O)
    [C@@H]1N=Cc4c(O)c(C)ncc4CO[P](O)(O)=O; C
    c1c(c(c(cn1)COP(=O)(O)O)C=NC2C(OC(C(C2O)
    O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(
    =O)NC4=O)O)O)C)O; Cc1c(c(c(cn1)COP(=O)(O
    )O)/C=N/[C@@H]2[C@H](O[C@@H]([C@@H]([C@H
    ]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([
    C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)C)O;
    C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]
    2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH
    ](O)[CH](O)[CH]1N=Cc4c(O)c(C)ncc4CO[P](O
    )(O)=O    		 (2R,3R,4S,5S,6R)-3,4-dihydroxy-5-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyloxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
    43632
    Z7S    		 1 C9 H18 N2 O5 InChI=1S/C9H18N2O5/c1-4(1
    4)10-7-5(2-12)11-6(3-13)8
    (15)9(7)16/h5-9,11-13,15-
    16H,2-3H2,1H3,(H,10,14)/t
    5-,6-,7+,8-,9-/m1/s1;
    GYKHMAHAJKZLAT-SYHAXYEDSA-N    		 CC(=O)NC1C(NC(C(C1O)O)CO)CO; CC(=O)N[C@H
    ]1[C@H](N[C@@H]([C@H]([C@@H]1O)O)CO)CO;
    CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)N[CH]1
    CO; OC1C(O)C(NC(C)=O)C(CO)NC1CO; CC(=O)N
    [C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N[C@@H
    ]1CO    		 N-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide
    43633
    Z7T    		 1 C11 H15 N3 O InChI=1S/C11H15N3O/c12-11
    (15)8-5-6-13-10(7-8)14-9-
    3-1-2-4-9/h5-7,9H,1-4H2,(
    H2,12,15)(H,13,14);
    VCDXBFXIABGZKP-UHFFFAOYSA-N    		 NC(=O)c1ccnc(NC2CCCC2)c1; c1cnc(cc1C(=O)
    N)NC2CCCC2    		 2-(cyclopentylamino)pyridine-4-carboxamide
    43634
    Z7Z
    CHEMBL107057
    ZINC000000157472    		 2 C13 H10 O2 InChI=1S/C13H10O2/c14-13(
    15)12-8-6-11(7-9-12)10-4-
    2-1-3-5-10/h1-9H,(H,14,15
    );
    NNJMFJSKMRYHSR-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccc(cc2)C(=O)O; OC(=O)c1ccc(
    cc1)c2ccccc2; O=C(O)c2ccc(c1ccccc1)cc2    		 biphenyl-4-carboxylic acid
    43635
    Z80
    CHEMBL71
    DB00477
    ZINC000000044027    		 25 C17 H19 Cl N2 S InChI=1S/C17H19ClN2S/c1-1
    9(2)10-5-11-20-14-6-3-4-7
    -16(14)21-17-9-8-13(18)12
    -15(17)20/h3-4,6-9,12H,5,
    10-11H2,1-2H3;
    ZPEIMTDSQAKGNT-UHFFFAOYSA-N    		 CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13; CN(C)C
    CCN1c2ccccc2Sc3c1cc(cc3)Cl    		 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine;
    Chlorpromazine
    43636
    Z81
    CHEMBL1092788
    ZINC000049070014    		 1 C21 H16 F2 N4 O InChI=1S/C21H16F2N4O/c1-2
    7-19(28)21(26-20(27)24,14
    -7-9-25-10-8-14)15-4-2-3-
    13(11-15)17-12-16(22)5-6-
    18(17)23/h2-12H,1H3,(H2,2
    4,26)/t21-/m1/s1;
    RKYFABJLGJZOBA-OAQYLSRUSA-N    		 CN1C(=N[C@](C1=O)(c2ccncc2)c3cccc(c3)c4c
    c(F)ccc4F)N; CN1C(=N[C](C1=O)(c2ccncc2)c
    3cccc(c3)c4cc(F)ccc4F)N; CN1C(=O)C(N=C1N
    )(c2ccncc2)c3cccc(c3)c4cc(ccc4F)F; CN1C(
    =O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cc(
    ccc4F)F    		 (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one;
    4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID
    43637
    Z82
    CHEMBL22051
    ZINC000000388063    		 9 C7 H5 Br O2 InChI=1S/C7H5BrO2/c8-6-3-
    1-5(2-4-6)7(9)10/h1-4H,(H
    ,9,10);
    TUXYZHVUPGXXQG-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)O)Br; OC(=O)c1ccc(Br)cc1 4-bromobenzoic acid
    43638
    Z83
    CHEMBL1738942
    ZINC000066156453    		 1 C19 H21 N5 O3 S InChI=1S/C19H21N5O3S/c1-1
    9(2,3)14-11-15(21-17(27)2
    2-18-20-8-9-28-18)24(23-1
    4)13-6-4-12(5-7-13)10-16(
    25)26/h4-9,11H,10H2,1-3H3
    ,(H,25,26)(H2,20,21,22,27
    );
    RBPOVRMRESQJOZ-UHFFFAOYSA-N    		 CC(C)(C)c1cc(NC(=O)Nc2sccn2)n(n1)c3ccc(C
    C(O)=O)cc3; CC(C)(C)c1cc(n(n1)c2ccc(cc2)
    CC(=O)O)NC(=O)Nc3nccs3    		 (4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid;
    2-(4-(3-tert-butyl-5-(3-thiazol-2-ylureido)-1H-pyrazol-1-yl)phenyl)acetic acid
    43639
    Z84
    CHEMBL1738943
    ZINC000066156894    		 1 C26 H30 N6 O2 S InChI=1S/C26H30N6O2S/c1-1
    8-5-7-21(8-6-18)32-23(15-
    22(31-32)26(2,3)4)29-24(3
    3)30-25-28-20(17-35-25)11
    -14-34-16-19-9-12-27-13-1
    0-19/h5-10,12-13,15,17H,1
    1,14,16H2,1-4H3,(H2,28,29
    ,30,33);
    DZVQBRGQNWDWIG-UHFFFAOYSA-N    		 Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3scc(CCOCc4cc
    ncc4)n3)C(C)(C)C; Cc1ccc(cc1)n2c(cc(n2)C
    (C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4ccncc4    		 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea;
    1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2-(pyridin-4-ylmethoxy)ethyl)thiazol-2-yl)urea
    43640
    Z85
    CHEMBL1738944
    ZINC000066156896    		 1 C27 H31 N5 O2 S InChI=1S/C27H31N5O2S/c1-1
    9-10-12-22(13-11-19)32-24
    (16-23(31-32)27(2,3)4)29-
    25(33)30-26-28-21(18-35-2
    6)14-15-34-17-20-8-6-5-7-
    9-20/h5-13,16,18H,14-15,1
    7H2,1-4H3,(H2,28,29,30,33
    );
    MZGQVTBIULKWER-UHFFFAOYSA-N    		 Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3n
    c(cs3)CCOCc4ccccc4; Cc1ccc(cc1)n2nc(cc2N
    C(=O)Nc3scc(CCOCc4ccccc4)n3)C(C)(C)C    		 1-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea;
    1-(4-(2-(benzyloxy)ethyl)thiazol-2-yl)-3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea
    43641
    Z86
    CHEMBL1738945
    ZINC000066156898    		 1 C28 H31 N5 O4 S InChI=1S/C28H31N5O4S/c1-2
    8(2,3)23-16-24(33(32-23)2
    2-11-9-19(10-12-22)15-25(
    34)35)30-26(36)31-27-29-2
    1(18-38-27)13-14-37-17-20
    -7-5-4-6-8-20/h4-12,16,18
    H,13-15,17H2,1-3H3,(H,34,
    35)(H2,29,30,31,36);
    QUOWKTGPIJLRIN-UHFFFAOYSA-N    		 CC(C)(C)c1cc(NC(=O)Nc2scc(CCOCc3ccccc3)n
    2)n(n1)c4ccc(CC(O)=O)cc4; CC(C)(C)c1cc(n
    (n1)c2ccc(cc2)CC(=O)O)NC(=O)Nc3nc(cs3)CC
    OCc4ccccc4    		 (4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1H-pyrazol-1-yl}phenyl)acetic acid;
    2-(4-(5-(3-(4-(2-(benzyloxy)ethyl)thiazol-2-yl)ureido)-3-tert-butyl-1H-pyrazol-1-yl)phenyl)acetic acid
    43642
    Z87
    CHEMBL1738946
    ZINC000066156998    		 1 C18 H21 N5 O S InChI=1S/C18H21N5OS/c1-12
    -5-7-13(8-6-12)23-15(11-1
    4(22-23)18(2,3)4)20-16(24
    )21-17-19-9-10-25-17/h5-1
    1H,1-4H3,(H2,19,20,21,24);
    YHFISDMDEBLKPE-UHFFFAOYSA-N    		 Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3sccn3)C(C)(C
    )C; Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)
    Nc3nccs3    		 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea;
    1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(thiazol-2-yl)urea
    43643
    Z88
    ZINC000000242755    		 2 C8 H8 Br N O3 S InChI=1S/C8H8BrNO3S/c1-6(
    11)10-14(12,13)8-4-2-7(9)
    3-5-8/h2-5H,1H3,(H,10,11);
    GUSSBUVTIMQOBB-UHFFFAOYSA-N    		 CC(=O)NS(=O)(=O)c1ccc(cc1)Br; CC(=O)N[S]
    (=O)(=O)c1ccc(Br)cc1    		 N-[(4-bromophenyl)sulfonyl]acetamide
    43644
    Z89
    ZINC000003077615    		 5 C15 H9 Br N2 O6 S2 InChI=1S/C15H9BrN2O6S2/c1
    6-5-1-2-7-6(3-5)10(12(21)
    17-7)11-13(22)18(15(25)26
    -11)8(14(23)24)4-9(19)20/
    h1-3,8H,4H2,(H,17,21)(H,1
    9,20)(H,23,24)/b11-10-/t8
    -/m1/s1;
    QGNRETMYLHRUBB-OZEWEUHLSA-N    		 c1cc2c(cc1Br)C(=C3C(=O)N(C(=S)S3)C(CC(=O
    )O)C(=O)O)C(=O)N2; c1cc2c(cc1Br)/C(=C/3\
    C(=O)N(C(=S)S3)[C@H](CC(=O)O)C(=O)O)/C(=
    O)N2; OC(=O)C[C@@H](N1C(=S)SC(/C1=O)=C/2
    C(=O)Nc3ccc(Br)cc/23)C(O)=O; OC(=O)C[CH]
    (N1C(=S)SC(C1=O)=C2C(=O)Nc3ccc(Br)cc23)C
    (O)=O    		 (2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid;
    N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE
    43645
    Z8A
    ZINC000087495993    		 7 C44 H89 N O4 InChI=1S/C44H89NO4/c1-3-5
    -7-9-11-13-15-17-18-19-20
    -21-22-23-24-25-26-27-29-
    31-33-35-37-39-43(48)45-4
    1(40-46)44(49)42(47)38-36
    -34-32-30-28-16-14-12-10-
    8-6-4-2/h41-42,44,46-47,4
    9H,3-40H2,1-2H3,(H,45,48)
    /t41-,42+,44-/m0/s1;
    GKRXVCWVXYHWOD-KZRDWULCSA-N    		 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(
    CCCCCCCCCCCCCC)O)O; CCCCCCCCCCCCCCCCCCCC
    CCCCCC(=O)N[CH](CO)[CH](O)[CH](O)CCCCCCC
    CCCCCCC; CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N
    [C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
    ; O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCC
    CCCCCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCC
    CCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCC
    CCCCCCCCCCC)O)O    		 N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide
    43646
    Z8B
    ZINC000081957324    		 3 C10 H11 Br N8 O3 InChI=1S/C10H11BrN8O3/c11
    -10-17-4-7(12)14-2-15-8(4
    )19(10)9-6(21)5(20)3(22-9
    )1-16-18-13/h2-3,5-6,9,20
    -21H,1H2,(H2,12,14,15)/t3
    -,5-,6-,9-/m1/s1;
    USVISQHKGJAQDS-UUOKFMHZSA-N    		 Brc2nc1c(ncnc1n2C3OC(C(O)C3O)C\N=[N+]=[N
    -])N; Nc1ncnc2n([CH]3O[CH](CN=[N+]=[N-])
    [CH](O)[CH]3O)c(Br)nc12; c1nc(c2c(n1)n(c
    (n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[
    N+]=[N-])O)O)N; Nc1ncnc2n([C@@H]3O[C@H](
    CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(Br)nc12;
    c1nc(c2c(n1)n(c(n2)Br)C3C(C(C(O3)CN=[N+
    ]=[N-])O)O)N    		 5'-azido-8-bromo-5'-deoxyadenosine
    43647
    Z8G
    CHEMBL4761772    		 1 C26 H25 F8 N O4 S InChI=1S/C26H25F8NO4S/c1-
    22(2,37)21(36)35-20-11-12
    -23(40(38,39)17-7-5-16(27
    )6-8-17)18-10-4-15(13-14(
    18)3-9-19(20)23)24(28,25(
    29,30)31)26(32,33)34/h4-8
    ,10,13,19-20,37H,3,9,11-1
    2H2,1-2H3,(H,35,36)/t19-,
    20+,23+/m0/s1;
    JZUVTKBHDNIOHD-MIZPHKNDSA-N    		 CC(C)(O)C(=O)N[CH]1CC[C]2([CH]1CCc3cc(cc
    c23)C(F)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c4
    ccc(F)cc4; CC(C)(O)C(=O)N[C@@H]1CC[C@@]2
    ([C@H]1CCc3cc(ccc23)C(F)(C(F)(F)F)C(F)(F
    )F)[S](=O)(=O)c4ccc(F)cc4; CC(C)(C(=O)N[
    C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(c3)C(C(F)
    (F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O;
    CC(C)(C(=O)NC1CCC2(C1CCc3c2ccc(c3)C(C(F
    )(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O
    ; c1(C(C(F)(F)F)(F)C(F)(F)F)cc2c(cc1)C3(
    C(CC2)C(CC3)NC(=O)C(O)(C)C)S(=O)(c4ccc(c
    c4)F)=O    		 N-[(3R,3aS,9bS)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide
    43648
    Z8H
    ZINC000000896168    		 0 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3+,4-,5-,6-/m
    0/s1;
    WQZGKKKJIJFFOK-GNFDWLABSA-N    		 C([C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O
    )O)O)O; C(C1C(C(C(C(O1)O)O)O)O)O; OC[C@@
    H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O;
    OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O; OC1
    C(O)C(OC(O)C1O)CO    		 beta-L-gulopyranose;
    beta-L-gulose;
    L-gulose;
    gulose
    43649
    Z8I
    CHEMBL4782326    		 1 C30 H29 F9 N2 O5 S InChI=1S/C30H29F9N2O5S/c1
    -26(2,44)15-41-22(14-21(3
    2)24(41)42)25(43)40-12-11
    -27(47(45,46)19-7-5-18(31
    )6-8-19)20-9-4-17(13-16(2
    0)3-10-23(27)40)28(33,29(
    34,35)36)30(37,38)39/h4-9
    ,13,21-23,44H,3,10-12,14-
    15H2,1-2H3/t21-,22+,23-,2
    7-/m1/s1;
    NETWYXYMXZLUOG-QSGNWFJVSA-N    		 CC(C)(CN1C(CC(C1=O)F)C(=O)N2CCC3(C2CCc4c
    3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)
    c5ccc(cc5)F)O; CC(C)(CN1[C@@H](C[C@H](C1
    =O)F)C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)
    C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc
    5)F)O; CC(C)(O)CN1[C@@H](C[C@@H](F)C1=O)
    C(=O)N2CC[C@@]3([C@H]2CCc4cc(ccc34)C(F)(
    C(F)(F)F)C(F)(F)F)[S](=O)(=O)c5ccc(F)cc5
    ; C2CN(C(=O)C1N(C(C(C1)F)=O)CC(O)(C)C)C3
    CCc5cc(C(C(F)(F)F)(F)C(F)(F)F)ccc5C23S(c
    4ccc(cc4)F)(=O)=O; CC(C)(O)CN1[CH](C[CH]
    (F)C1=O)C(=O)N2CC[C]3([CH]2CCc4cc(ccc34)
    C(F)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c5ccc(
    F)cc5    		 (3R,5S)-3-fluoro-5-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one
    43650
    Z8O
    CHEMBL5268152    		 4 C24 H19 N3 O2 InChI=1S/C24H19N3O2/c28-2
    2(27-14-13-17-5-1-4-8-21(
    17)27)15-16-9-11-18(12-10
    -16)23-19-6-2-3-7-20(19)2
    4(29)26-25-23/h1-12H,13-1
    5H2,(H,26,29);
    COYVFENBIAJDFY-UHFFFAOYSA-N    		 O=C(Cc1ccc(cc1)C2=NNC(=O)c3ccccc23)N4CCc
    5ccccc45; O=C(Cc1ccc(cc1)C1=NNC(=O)c2ccc
    cc21)N1CCc2ccccc21; c1ccc2c(c1)CCN2C(=O)
    Cc3ccc(cc3)C4=NNC(=O)c5c4cccc5    		 4-{4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]phenyl}phthalazin-1(2H)-one
    43651
    Z8R
    CHEMBL4167242    		 4 C15 H15 N O4 S InChI=1S/C15H15NO4S/c1-21
    (19,20)16-10-11-5-7-12(8-
    6-11)13-3-2-4-14(9-13)15(
    17)18/h2-9,16H,10H2,1H3,(
    H,17,18);
    GDROHHKTEPPNSN-UHFFFAOYSA-N    		 C[S](=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(O)=O
    ; CS(=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(=O)O    		 3-[4-(methylsulfonylaminomethyl)phenyl]benzoic acid
    43652
    Z8T
    ZINC000001532520    		 3 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3-,4+,5-,6-/m
    0/s1;
    WQZGKKKJIJFFOK-QYESYBIKSA-N    		 C(C1C(C(C(C(O1)O)O)O)O)O; OC[C@@H]1O[C@H
    ](O)[C@@H](O)[C@H](O)[C@H]1O; OC[CH]1O[C
    H](O)[CH](O)[CH](O)[CH]1O; C([C@H]1[C@@H
    ]([C@H]([C@@H]([C@H](O1)O)O)O)O)O; OC1C(
    O)C(OC(O)C1O)CO    		 beta-L-glucopyranose;
    beta-L-glucose;
    L-glucose;
    glucose
    43653
    Z8V    		 1 C9 H18 N2 O5 InChI=1S/C9H18N2O5/c1-4(1
    4)10-7-5(2-12)11-6(3-13)8
    (15)9(7)16/h5-9,11-13,15-
    16H,2-3H2,1H3,(H,10,14)/t
    5-,6+,7-,8+,9+/m0/s1;
    GYKHMAHAJKZLAT-KVEIKIFDSA-N    		 CC(=O)NC1C(NC(C(C1O)O)CO)CO; CC(=O)N[CH]
    1[CH](O)[CH](O)[CH](CO)N[CH]1CO; OC1C(O)
    C(NC(C)=O)C(CO)NC1CO; CC(=O)N[C@@H]1[C@@
    H](O)[C@H](O)[C@@H](CO)N[C@H]1CO; CC(=O)
    N[C@H]1[C@@H](N[C@@H]([C@H]([C@@H]1O)O)C
    O)CO    		 N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide
    43654
    Z8Z
    CHEMBL2347184
    ZINC000095602460    		 1 C37 H48 N6 O5 S InChI=1S/C37H48N6O5S/c1-2
    5(2)33(42-36(45)43(5)21-3
    1-23-49-35(40-31)26(3)4)3
    4(44)39-29(18-27-12-8-6-9
    -13-27)16-17-30(19-28-14-
    10-7-11-15-28)41-37(46)47
    -22-32-20-38-24-48-32/h6-
    15,20,23-26,29-30,33H,16-
    19,21-22H2,1-5H3,(H,39,44
    )(H,41,46)(H,42,45)/t29-,
    30-,33+/m1/s1;
    ZBUUPRZMJYAPQF-QSCLJHCWSA-N    		 CC(C)[CH](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O
    )N[CH](CC[CH](Cc2ccccc2)NC(=O)OCc3ocnc3)
    Cc4ccccc4; O=C(OCc1ocnc1)NC(Cc2ccccc2)CC
    C(NC(=O)C(NC(=O)N(Cc3nc(sc3)C(C)C)C)C(C)
    C)Cc4ccccc4; CC(C)c1nc(cs1)CN(C)C(=O)N[C
    @@H](C(C)C)C(=O)N[C@H](CC[C@H](Cc2ccccc2
    )NC(=O)OCc3cnco3)Cc4ccccc4; CC(C)c1nc(cs
    1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CCC(Cc2cccc
    c2)NC(=O)OCc3cnco3)Cc4ccccc4; CC(C)[C@H]
    (NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C
    C[C@H](Cc2ccccc2)NC(=O)OCc3ocnc3)Cc4cccc
    c4    		 N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5R)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenylhexan-2-yl]-L-valinamide
    43655
    Z90
    CHEMBL1236936
    DB16126
    ZINC000003934935    		 5 C36 H39 N O5 InChI=1S/C36H39NO5/c38-35
    (39)12-6-7-24-37(26-30-19
    -21-33(22-20-30)36(40)41)
    25-23-32-10-4-5-11-34(32)
    42-27-31-17-15-29(16-18-3
    1)14-13-28-8-2-1-3-9-28/h
    1-5,8-11,15-22H,6-7,12-14
    ,23-27H2,(H,38,39)(H,40,4
    1);
    WPYWMXNXEZFMAK-UHFFFAOYSA-N    		 OC(=O)CCCCN(CCc1ccccc1OCc2ccc(CCc3ccccc3
    )cc2)Cc4ccc(cc4)C(O)=O; c1ccc(cc1)CCc2cc
    c(cc2)COc3ccccc3CC[N@@](CCCCC(=O)O)Cc4cc
    c(cc4)C(=O)O; c1ccc(cc1)CCc2ccc(cc2)COc3
    ccccc3CCN(CCCCC(=O)O)Cc4ccc(cc4)C(=O)O    		 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid;
    4-((4-carboxybutyl)(2-((4-phenethylbenzol)oxy) phenethyl) amino)methyl(benzoic) acid)
    43656
    Z92
    CHEMBL1088012
    ZINC000034008497    		 2 C17 H15 Cl N4 O3 InChI=1S/C17H15ClN4O3/c1-
    24-13-8-3-10(9-14(13)25-2
    )15-16(17(23)22-20-15)21-
    19-12-6-4-11(18)5-7-12/h3
    -9,19H,1-2H3,(H,21,22,23);
    UXJPKQXTZFNBHT-UHFFFAOYSA-N    		 COc1ccc(cc1OC)C\2=NNC(=O)C\2=N/Nc3ccc(Cl
    )cc3; COc1ccc(cc1OC)C2=NNC(=O)C2=NNc3ccc
    (cc3)Cl; COc1ccc(cc1OC)C\2=NNC(=O)/C2=N/
    Nc3ccc(cc3)Cl; COc1ccc(cc1OC)C2=NNC(=O)C
    2=NNc3ccc(Cl)cc3    		 (4E)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one;
    (4Z)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2H-pyrazol-3-one
    43657
    Z93    		 2 C24 H19 N4 O4 InChI=1S/C24H18N4O4/c1-32
    -19-9-6-17-13-28(21(29)20
    (17)11-19)14-24(22(30)26-
    23(31)27-24)18-7-4-15(5-8
    -18)16-3-2-10-25-12-16/h2
    -13H,14H2,1H3,(H-,26,27,3
    0,31)/p+1/t24-/m0/s1;
    IPWWTFLYEBQOPS-DEOSSOPVSA-O    		 COc1ccc2c(c1)C(=O)[N+](=C2)CC3(C(=O)NC(=
    O)N3)c4ccc(cc4)c5cccnc5; COc1ccc2c(c1)C(
    =O)[N+](=C2)C[C@@]3(C(=O)NC(=O)N3)c4ccc(
    cc4)c5cccnc5; COc1ccc2C=[N+](C[C]3(NC(=O
    )NC3=O)c4ccc(cc4)c5cccnc5)C(=O)c2c1; COc
    1ccc2C=[N+](C[C@]3(NC(=O)NC3=O)c4ccc(cc4
    )c5cccnc5)C(=O)c2c1    		 2-{[(4R)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1H-isoindolium;
    N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE
    43658
    Z94
    ZINC000039334731    		 1 C11 H11 N3 O3 InChI=1S/C11H11N3O3/c1-6(
    15)12-8-4-2-7(3-5-8)9-10(
    16)14-11(17)13-9/h2-5,9H,
    1H3,(H,12,15)(H2,13,14,16
    ,17)/t9-/m0/s1;
    GUTQNQMNYWTMBT-VIFPVBQESA-N    		 CC(=O)Nc1ccc(cc1)[CH]2NC(=O)NC2=O; CC(=O
    )Nc1ccc(cc1)[C@H]2C(=O)NC(=O)N2; CC(=O)N
    c1ccc(cc1)[C@@H]2NC(=O)NC2=O; CC(=O)Nc1c
    cc(cc1)C2C(=O)NC(=O)N2    		 N-{4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl}acetamide;
    2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID
    43659
    Z96
    CHEMBL601202
    ZINC000044460009    		 1 C28 H32 Cl N5 O3 InChI=1S/C28H32ClN5O3/c1-
    28(2,3)37-27(36)34-12-10-
    33(11-13-34)25-20-8-7-19(
    29)15-21(20)22(14-18-6-5-
    9-31-24(18)25)26(35)23-16
    -30-17-32(23)4/h5-9,14-17
    ,25-26,35H,10-13H2,1-4H3/
    t25-,26+/m0/s1;
    YZFYPECRJZGSGJ-IZZNHLLZSA-N    		 CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3C(=Cc
    4c2nccc4)C(c5cncn5C)O)Cl; CC(C)(C)OC(=O)
    N1CCN(CC1)[C@H]2c3ccc(cc3C(=Cc4c2nccc4)[
    C@H](c5cncn5C)O)Cl; Cn1cncc1[CH](O)C2=Cc
    3cccnc3[CH](N4CCN(CC4)C(=O)OC(C)(C)C)c5c
    cc(Cl)cc25; Cn1cncc1[C@H](O)C2=Cc3cccnc3
    [C@@H](N4CCN(CC4)C(=O)OC(C)(C)C)c5ccc(Cl
    )cc25    		 tert-butyl 4-{(11S)-8-chloro-6-[(R)-hydroxy(1-methyl-1H-imidazol-5-yl)methyl]-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl}piperazine-1-carboxylate;
    1,1-DIMETHYLETHYL 4-[8-CHLORO-6-[HYDROXY(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-11H-BENZO[5,6]CYCLOHEPTA[1,2-b]PYRIDIN-11(S)-YL]-1-PIPERAZINECARBOXYLATE
    43660
    Z97
    ZINC000058651042    		 8 C13 H20 N3 O7 P InChI=1S/C13H20N3O7P/c1-8
    -12(17)10(6-15-4-2-3-11(1
    4)13(18)19)9(5-16-8)7-23-
    24(20,21)22/h5-6,11,17H,2
    -4,7,14H2,1H3,(H,18,19)(H
    2,20,21,22)/b15-6+/t11-/m
    0/s1;
    RMKYDMCVWSLEGI-DMSFABOWSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=NCCC[CH](N)C(O)
    =O)c1O; Cc1ncc(CO[P](O)(O)=O)c(C=NCCC[C@
    H](N)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)
    O)C=NCCCC(C(=O)O)N)O; Cc1c(c(c(cn1)COP(=
    O)(O)O)/C=N/CCC[C@@H](C(=O)O)N)O    		 (E)-N~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-ornithine
    43661
    Z98
    ZINC000058649364    		 8 C12 H18 N3 O7 P InChI=1S/C12H18N3O7P/c1-7
    -11(16)9(5-14-3-2-10(13)1
    2(17)18)8(4-15-7)6-22-23(
    19,20)21/h4-5,10,16H,2-3,
    6,13H2,1H3,(H,17,18)(H2,1
    9,20,21)/b14-5-/t10-/m0/s
    1;
    BBWBZEWRKQXPMM-YXBHYIBOSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCC(C(=O)O)N
    )O; Cc1ncc(CO[P](O)(O)=O)c(C=NCC[CH](N)C
    (O)=O)c1O; Cc1ncc(CO[P](O)(O)=O)c(C=NCC[
    C@H](N)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(
    O)O)/C=N\CC[C@@H](C(=O)O)N)O    		 (2S)-2-amino-4-{[(1Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}butanoic acid
    43662
    Z99
    CHEMBL432038
    ZINC000003826602    		 30 C20 H19 N O5 InChI=1S/C20H19NO5/c21-20
    (19(24)25,15-9-13(15)18(2
    2)23)10-14-11-5-1-3-7-16(
    11)26-17-8-4-2-6-12(14)17
    /h1-8,13-15H,9-10,21H2,(H
    ,22,23)(H,24,25)/t13-,15-
    ,20-/m0/s1;
    VLZBRVJVCCNPRJ-KPHUOKFYSA-N    		 c1ccc2c(c1)C(c3ccccc3O2)C[C@]([C@H]4C[C@
    @H]4C(=O)O)(C(=O)O)N; N[C@@](CC1c2ccccc2
    Oc3ccccc13)([C@H]4C[C@@H]4C(O)=O)C(O)=O;
    c1ccc2c(c1)C(c3ccccc3O2)CC(C4CC4C(=O)O)
    (C(=O)O)N; N[C](CC1c2ccccc2Oc3ccccc13)([
    CH]4C[CH]4C(O)=O)C(O)=O    		 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine;
    (1S,2S)-2-[(2S)-2-amino-1-hydroxy-1-oxo-3-(9H-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid
    43663
    Z9A    		 1 C18 H24 Br N3 O5 InChI=1S/C18H24BrN3O5/c1-
    11(18(26)27-2)21-17(25)14
    (10-15(20)23)22-16(24)5-3
    -4-12-6-8-13(19)9-7-12/h6
    -9,11,14H,3-5,10H2,1-2H3,
    (H2,20,23)(H,21,25)(H,22,
    24)/t11-,14+/m0/s1;
    UMJYMQGCXBKOHD-SMDDNHRTSA-N    		 COC(=O)[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=
    O)CCCc1ccc(Br)cc1; C[C@@H](C(=O)OC)NC(=O
    )[C@@H](CC(=O)N)NC(=O)CCCc1ccc(cc1)Br; C
    C(C(=O)OC)NC(=O)C(CC(=O)N)NC(=O)CCCc1ccc
    (cc1)Br; COC(=O)[CH](C)NC(=O)[CH](CC(N)=
    O)NC(=O)CCCc1ccc(Br)cc1; Brc1ccc(CCCC(=O
    )NC(CC(N)=O)C(=O)NC(C)C(=O)OC)cc1    		 methyl N~2~-[4-(4-bromophenyl)butanoyl]-D-asparaginyl-L-alaninate
    43664
    Z9D
    ZINC000005851334    		 1 C6 H12 O5 InChI=1S/C6H12O5/c7-2-3-1
    -4(8)5(9)6(10)11-3/h3-10H
    ,1-2H2/t3-,4-,5+,6+/m0/s1;
    HDEMQQHXNOJATE-UNTFVMJOSA-N    		 C1C(OC(C(C1O)O)O)CO; OC[CH]1C[CH](O)[CH]
    (O)[CH](O)O1; C1[C@H](O[C@H]([C@@H]([C@H
    ]1O)O)O)CO; OC[C@@H]1C[C@H](O)[C@@H](O)[
    C@H](O)O1; OC1CC(OC(O)C1O)CO    		 4-deoxy-beta-D-xylo-hexopyranose
    43665
    Z9E
    ZINC000013545755    		 1 C6 H12 O5 S InChI=1S/C6H12O5S/c7-1-2-
    3(8)4(9)5(10)6(12)11-2/h2
    -10,12H,1H2/t2-,3-,4+,5-,
    6-/m1/s1;
    JUSMHIGDXPKSID-VFUOTHLCSA-N    		 OC[C@H]1O[C@H](S)[C@H](O)[C@@H](O)[C@@H]
    1O; OC1C(O)C(OC(S)C1O)CO; C(C1C(C(C(C(O1
    )S)O)O)O)O; C([C@@H]1[C@H]([C@@H]([C@H](
    [C@H](O1)S)O)O)O)O; OC[CH]1O[CH](S)[CH](
    O)[CH](O)[CH]1O    		 1-thio-alpha-D-glucopyranose
    43666
    Z9G    		 1 C14 H17 Br N2 O4 InChI=1S/C14H17BrN2O4/c15
    -10-6-4-9(5-7-10)2-1-3-13
    (19)17-11(14(20)21)8-12(1
    6)18/h4-7,11H,1-3,8H2,(H2
    ,16,18)(H,17,19)(H,20,21)
    /t11-/m1/s1;
    VRZHKETUQBKIPG-LLVKDONJSA-N    		 NC(=O)C[CH](NC(=O)CCCc1ccc(Br)cc1)C(O)=O
    ; c1cc(ccc1CCCC(=O)N[C@H](CC(=O)N)C(=O)O
    )Br; Brc1ccc(CCCC(=O)NC(CC(N)=O)C(=O)O)c
    c1; NC(=O)C[C@@H](NC(=O)CCCc1ccc(Br)cc1)
    C(O)=O; c1cc(ccc1CCCC(=O)NC(CC(=O)N)C(=O
    )O)Br    		 N~2~-[4-(4-bromophenyl)butanoyl]-D-asparagine
    43667
    Z9H    		 7 C8 H16 O12 S2 InChI=1S/C8H16O12S2/c1-16
    -5-4(3-18-21(10,11)12)19-
    8(9)7(6(5)17-2)20-22(13,1
    4)15/h4-9H,3H2,1-2H3,(H,1
    0,11,12)(H,13,14,15)/t4-,
    5-,6+,7-,8+/m1/s1;
    KXJTXUUGBKCQJT-CBQIKETKSA-N    		 CO[CH]1[CH](CO[S](O)(=O)=O)O[CH](O)[CH](
    O[S](O)(=O)=O)[CH]1OC; CO[C@@H]1[C@@H](C
    O[S](O)(=O)=O)O[C@H](O)[C@H](O[S](O)(=O)
    =O)[C@H]1OC; CO[C@@H]1[C@H](O[C@@H]([C@@
    H]([C@H]1OC)OS(=O)(=O)O)O)COS(=O)(=O)O;
    O=S(=O)(O)OCC1OC(O)C(OS(=O)(=O)O)C(OC)C1
    OC; COC1C(OC(C(C1OC)OS(=O)(=O)O)O)COS(=O
    )(=O)O    		 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose
    43668
    Z9I
    ZINC000082591546    		 2 C6 H14 N2 O2 S InChI=1S/C6H14N2O2S/c1-11
    (9,10)8-4-2-3-6(8)5-7/h6H
    ,2-5,7H2,1H3/t6-/m1/s1;
    RYZYXPKYSJEBDD-ZCFIWIBFSA-N    		 CS(=O)(=O)N1CCCC1CN; CS(=O)(=O)N1CCC[C@@
    H]1CN; C[S](=O)(=O)N1CCC[C@@H]1CN; NCC1C
    CCN1S(=O)(C)=O; C[S](=O)(=O)N1CCC[CH]1CN    		 1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine
    43669
    Z9J    		 0 C13 H19 N O2 S2 InChI=1S/C13H19NO2S2/c14-
    5-7-18-10-12-3-1-2-11(8-1
    2)9-17-6-4-13(15)16/h1-3,
    8H,4-7,9-10,14H2,(H,15,16
    );
    HDBIDFYDMNICRF-UHFFFAOYSA-N    		 c1cc(cc(c1)CSCCN)CSCCC(=O)O; NCCSCc1cccc
    (CSCCC(O)=O)c1    		 3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}phenyl)methyl]sulfanyl}propanoic acid;
    3-[[3-(2-azanylethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid
    43670
    Z9K    		 5 C7 H12 O10 S InChI=1S/C7H12O10S/c1-15-
    3-2(8)4(6(9)10)16-7(11)5(
    3)17-18(12,13)14/h2-5,7-8
    ,11H,1H3,(H,9,10)(H,12,13
    ,14)/t2-,3-,4+,5+,7+/m0/s
    1;
    ANYCAUYSISUNKI-QVVHOTIMSA-N    		 COC1C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O; CO[
    C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(
    =O)O)O)C(=O)O)O; CO[CH]1[CH](O)[CH](O[CH
    ](O)[CH]1O[S](O)(=O)=O)C(O)=O; O=C(O)C1O
    C(O)C(OS(=O)(=O)O)C(OC)C1O; CO[C@H]1[C@H
    ](O)[C@@H](O[C@@H](O)[C@@H]1O[S](O)(=O)=
    O)C(O)=O    		 3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid
    43671
    Z9L    		 8 C7 H14 O15 S3 InChI=1S/C7H14O15S3/c1-18
    -7-6(22-25(15,16)17)5(21-
    24(12,13)14)4(8)3(20-7)2-
    19-23(9,10)11/h3-8H,2H2,1
    H3,(H,9,10,11)(H,12,13,14
    )(H,15,16,17)/t3-,4-,5+,6
    -,7+/m1/s1;
    KOFWJYYHIXJXAE-ZFYZTMLRSA-N    		 CO[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[
    C@H](O[S](O)(=O)=O)[C@H]1O[S](O)(=O)=O;
    CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO
    S(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O; CO
    [CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O[
    S](O)(=O)=O)[CH]1O[S](O)(=O)=O; O=S(=O)(
    O)OCC1OC(OC)C(OS(=O)(=O)O)C(OS(=O)(=O)O)
    C1O; COC1C(C(C(C(O1)COS(=O)(=O)O)O)OS(=O
    )(=O)O)OS(=O)(=O)O    		 methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside
    43672
    Z9M
    DB02865
    ZINC000005830009    		 12 C6 H14 N O8 P InChI=1S/C6H14NO8P/c7-3-4
    (9)5(15-16(11,12)13)2(1-8
    )14-6(3)10/h2-6,8-10H,1,7
    H2,(H2,11,12,13)/t2-,3-,4
    -,5-,6-/m1/s1;
    QWDBGVNDGYUIAC-QZABAPFNSA-N    		 C(C1C(C(C(C(O1)O)N)O)OP(=O)(O)O)O; N[CH]
    1[CH](O)O[CH](CO)[CH](O[P](O)(O)=O)[CH]1
    O; N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[P](
    O)(O)=O)[C@@H]1O; C([C@@H]1[C@H]([C@@H](
    [C@H]([C@@H](O1)O)N)O)OP(=O)(O)O)O; O=P(
    O)(O)OC1C(OC(O)C(N)C1O)CO    		 2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose;
    4-O-phosphono-beta-D-glucosamine;
    2-amino-2-deoxy-4-O-phosphono-beta-D-glucose;
    2-amino-2-deoxy-4-O-phosphono-D-glucose;
    2-amino-2-deoxy-4-O-phosphono-glucose
    43673
    Z9N
    CHEMBL4748482
    ZINC000003830876    		 18 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3-4
    (9)5(10)6(11,2-8)12-3/h3-
    5,7-11H,1-2H2/t3-,4-,5+,6
    +/m1/s1;
    RFSUNEUAIZKAJO-ZXXMMSQZSA-N    		 OC1C(O)C(OC1(O)CO)CO; C([C@@H]1[C@H]([C@
    @H]([C@@](O1)(CO)O)O)O)O; OC[CH]1O[C](O)
    (CO)[CH](O)[CH]1O; C(C1C(C(C(O1)(CO)O)O)
    O)O; OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H
    ]1O    		 alpha-D-fructofuranose;
    alpha-D-fructose;
    D-fructose;
    fructose
    43674
    Z9W    		 0 C8 H15 N O5 InChI=1S/C8H15NO5/c1-3-6(
    11)7(12)5(8(13)14-3)9-4(2
    )10/h3,5-8,11-13H,1-2H3,(
    H,9,10)/t3-,5-,6-,7-,8-/m
    1/s1;
    XOCCAGJZGBCJME-PNAXYBNRSA-N    		 C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1O
    ; C[C@H]1O[C@@H](O)[C@H](NC(C)=O)[C@@H](
    O)[C@@H]1O; O=C(NC1C(O)C(O)C(OC1O)C)C; C
    [C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC
    (=O)C)O)O; CC1C(C(C(C(O1)O)NC(=O)C)O)O    		 2-acetamido-2-deoxy-beta-D-quinovopyranose;
    2-acetamido-2,6-deoxy-beta-D-glucopyranose;
    6-deoxy-N-acetyl-beta-D-glucosamine;
    N-acetyl-beta-D-quinosamine;
    2-acetamido-2-deoxy-beta-D-quinovose;
    2-acetamido-2-deoxy-D-quinovose;
    2-acetamido-2-deoxy-quinovose;
    2-(acetylamino)-2,6-dideoxy-beta-D-glucopyranose
    43675
    Z9Z
    ZINC000098209657    		 1 C39 H50 N6 O4 S InChI=1S/C39H50N6O4S/c1-2
    7(2)35(44-38(47)45(5)24-3
    4-26-50-37(42-34)28(3)4)3
    6(46)41-32(21-29-13-8-6-9
    -14-29)18-19-33(22-30-15-
    10-7-11-16-30)43-39(48)49
    -25-31-17-12-20-40-23-31/
    h6-17,20,23,26-28,32-33,3
    5H,18-19,21-22,24-25H2,1-
    5H3,(H,41,46)(H,43,48)(H,
    44,47)/t32-,33+,35+/m0/s1;
    DXYIYKUZINROPB-VUHKNJSWSA-N    		 CC(C)c1nc(cs1)CN(C)C(=O)NC(C(C)C)C(=O)NC
    (CCC(Cc2ccccc2)NC(=O)OCc3cccnc3)Cc4ccccc
    4; CC(C)[CH](NC(=O)N(C)Cc1csc(n1)C(C)C)C
    (=O)N[CH](CC[CH](Cc2ccccc2)NC(=O)OCc3ccc
    nc3)Cc4ccccc4; O=C(OCc1cccnc1)NC(Cc2cccc
    c2)CCC(NC(=O)C(NC(=O)N(Cc3nc(sc3)C(C)C)C
    )C(C)C)Cc4ccccc4; CC(C)[C@@H](NC(=O)N(C)
    Cc1csc(n1)C(C)C)C(=O)N[C@@H](CC[C@H](Cc2
    ccccc2)NC(=O)OCc3cccnc3)Cc4ccccc4; CC(C)
    c1nc(cs1)CN(C)C(=O)N[C@H](C(C)C)C(=O)N[C
    @@H](CC[C@H](Cc2ccccc2)NC(=O)OCc3cccnc3)
    Cc4ccccc4    		 pyridin-3-ylmethyl [(2R,5S)-5-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-D-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
    43676
    ZA2
    ZINC000199226722    		 2 C8 H10 B Cl N O4 InChI=1S/C8H10BClNO4/c10-
    7-4-2-1-3-6(7)8(12)11-5-9
    (13,14)15/h1-4,13-15H,5H2
    ,(H,11,12)/q-1;
    QHCGFAIMVLWXJG-UHFFFAOYSA-N    		 O[B-](O)(O)CNC(=O)c1ccccc1Cl; [B-](CNC(=
    O)c1ccccc1Cl)(O)(O)O    		 [(2-CHLOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON;
    2-CHLOROBENZAMIDOMETHYLBORONIC ACID
    43677
    ZA3
    ZINC000199226740    		 5 C8 H10 B N2 O6 InChI=1S/C8H10BN2O6/c12-8
    (10-5-9(13,14)15)6-3-1-2-
    4-7(6)11(16)17/h1-4,13-15
    H,5H2,(H,10,12)/q-1;
    YKMUZZUWSQWVEH-UHFFFAOYSA-N    		 O[B-](O)(O)CNC(=O)c1ccccc1[N+]([O-])=O;
    [B-](CNC(=O)c1ccccc1[N+](=O)[O-])(O)(O)O    		 TRIHYDROXY-[[(2-NITROPHENYL)CARBONYLAMINO]METHYL]BORON
    43678
    ZA4
    ZINC000199226759    		 1 C8 H10 B F N O4 InChI=1S/C8H10BFNO4/c10-7
    -4-2-1-3-6(7)8(12)11-5-9(
    13,14)15/h1-4,13-15H,5H2,
    (H,11,12)/q-1;
    GSERMWXQEOLTTB-UHFFFAOYSA-N    		 [B-](CNC(=O)c1ccccc1F)(O)(O)O; O[B-](O)(
    O)CNC(=O)c1ccccc1F    		 [(2-FLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
    43679
    ZA5
    ZINC000199226777    		 1 C8 H9 B F2 N O4 InChI=1S/C8H9BF2NO4/c10-5
    -2-1-3-6(11)7(5)8(13)12-4
    -9(14,15)16/h1-3,14-16H,4
    H2,(H,12,13)/q-1;
    WTOJBPXTZMRWEB-UHFFFAOYSA-N    		 [B-](CNC(=O)c1c(cccc1F)F)(O)(O)O; O[B-](
    O)(O)CNC(=O)c1c(F)cccc1F    		 [(2,6-DIFLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON
    43680
    ZA6
    ZINC000023338508    		 1 C23 H23 N3 O S InChI=1S/C23H23N3OS/c1-17
    (20-14-9-15-28-20)26(2)16
    -21-24-23(25-27-21)22(18-
    10-5-3-6-11-18)19-12-7-4-
    8-13-19/h3-15,17,22H,16H2
    ,1-2H3/t17-/m0/s1;
    YMVZNLFSCPAPNW-KRWDZBQOSA-N    		 CC(c1cccs1)N(C)Cc2nc(no2)C(c3ccccc3)c4cc
    ccc4; C[C@@H](c1cccs1)N(C)Cc2nc(no2)C(c3
    ccccc3)c4ccccc4; C[C@H](N(C)Cc1onc(n1)C(
    c2ccccc2)c3ccccc3)c4sccc4; CC(N(C)Cc1nc(
    no1)C(c1ccccc1)c1ccccc1)c1cccs1; C[CH](N
    (C)Cc1onc(n1)C(c2ccccc2)c3ccccc3)c4sccc4    		 (1S)-N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-1-(thiophen-2-yl)ethan-1-amine
    43681
    ZA9
    ZINC000033884898    		 2 C13 H16 N2 InChI=1S/C13H16N2/c1-4-11
    (10-3-2-7-14-9-10)12-6-8-
    15-13(12)5-1/h1,4-6,8,10,
    14-15H,2-3,7,9H2/t10-/m1/
    s1;
    JWMGZQMVMZBMFM-SNVBAGLBSA-N    		 c1cc(c2cc[nH]c2c1)C3CCCNC3; C1CNC[CH](C1
    )c2cccc3[nH]ccc23; C1CNC[C@@H](C1)c2cccc
    3[nH]ccc23; c1cc(c2cc[nH]c2c1)[C@@H]3CCC
    NC3; c1c[NH]c2cccc(c12)C1CCCNC1    		 4-[(3S)-piperidin-3-yl]-1H-indole
    43682
    ZAA
    CHEMBL491751    		 1 C29 H26 N4 O4 InChI=1S/C29H26N4O4/c1-20
    -25(30-29(37-20)22-10-4-2
    -5-11-22)15-16-36-24-14-8
    -9-21(17-24)18-26-27(19-2
    8(34)35)32-33(31-26)23-12
    -6-3-7-13-23/h2-14,17H,15
    -16,18-19H2,1H3,(H,34,35);
    QIGYDDWEDSMCSH-UHFFFAOYSA-N    		 Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c3)Cc4c(nn
    (n4)c5ccccc5)CC(=O)O; O=C(O)Cc1nn(nc1Cc4
    cc(OCCc2nc(oc2C)c3ccccc3)ccc4)c5ccccc5;
    Cc1oc(nc1CCOc2cccc(Cc3nn(nc3CC(O)=O)c4cc
    ccc4)c2)c5ccccc5    		 (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid;
    2-(5-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)ACETIC ACID
    43683
    ZAB
    ZINC000103562504    		 0 C15 H15 N3 O2 InChI=1S/C15H15N3O2/c16-1
    0-12-4-2-6-14(8-12)18-17-
    13-5-1-3-11(7-13)9-15(19)
    20/h1-8H,9-10,16H2,(H,19,
    20)/b18-17-;
    RHNJRPYVLIXHAK-ZCXUNETKSA-N    		 c1cc(cc(c1)N=Nc2cccc(c2)CN)CC(=O)O; O=C(
    O)Cc2cccc(\N=N/c1cccc(c1)CN)c2; NCc1cccc
    (c1)N=Nc2cccc(CC(O)=O)c2    		 (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID
    43684
    ZAD
    ZINC000058649580    		 0 C8 H12 N5 O5 P InChI=1S/C8H12N5O5P/c9-7-
    6-8(11-3-10-7)13(4-12-6)1
    -5(14)2-18-19(15,16)17/h3
    -5,14H,1-2H2,(H2,9,10,11)
    (H2,15,16,17)/t5-/m0/s1;
    IDXHXXLVPICOPG-YFKPBYRVSA-N    		 Nc1ncnc2n(C[C@H](O)CO[P](O)(O)=O)cnc12;
    c1nc(c2c(n1)n(cn2)C[C@@H](COP(=O)(O)O)O)
    N; Nc1ncnc2n(C[CH](O)CO[P](O)(O)=O)cnc12
    ; c1nc(c2c(n1)n(cn2)CC(COP(=O)(O)O)O)N;
    O=P(O)(O)OCC(O)Cn1c2ncnc(c2nc1)N    		 (S)-1'-(2',3'-DIHYDROXYPROPYL)-ADENINE
    43685
    ZAE
    ZINC000012954903    		 0 C10 H13 N O2 InChI=1S/C10H13NO2/c1-11-
    9(10(12)13)7-8-5-3-2-4-6-
    8/h2-6,9,11H,7H2,1H3,(H,1
    2,13)/t9-/m1/s1;
    SCIFESDRCALIIM-SECBINFHSA-N    		 CNC(Cc1ccccc1)C(=O)O; CN[C@H](Cc1ccccc1)
    C(=O)O; CN[C@H](Cc1ccccc1)C(O)=O; CN[CH]
    (Cc1ccccc1)C(O)=O; O=C(O)C(NC)Cc1ccccc1    		 N-methyl-D-phenylalanine
    43686
    ZAF
    DB08762
    ZINC000039313129    		 1 C22 H27 N2 O8 P InChI=1S/C22H27N2O8P/c1-1
    5(23-22(28)31-14-18-11-7-
    4-8-12-18)20(25)24-16(2)3
    3(29,30)32-19(21(26)27)13
    -17-9-5-3-6-10-17/h3-12,1
    5-16,19H,13-14H2,1-2H3,(H
    ,23,28)(H,24,25)(H,26,27)
    (H,29,30)/t15-,16+,19-/m0
    /s1;
    UPJNMOBJDSFRTI-FCEWJHQRSA-N    		 C[C@@H](C(=O)N[C@@H](C)[P@@](=O)(O)O[C@@
    H](Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2; C[
    C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)[P@
    ](O)(=O)O[C@@H](Cc2ccccc2)C(O)=O; O=C(O)
    C(OP(=O)(O)C(NC(=O)C(NC(=O)OCc1ccccc1)C)
    C)Cc2ccccc2; C[CH](NC(=O)OCc1ccccc1)C(=O
    )N[CH](C)[P](O)(=O)O[CH](Cc2ccccc2)C(O)=
    O; CC(C(=O)NC(C)P(=O)(O)OC(Cc1ccccc1)C(=
    O)O)NC(=O)OCc2ccccc2    		 O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC ACID
    43687
    ZAH
    DB04033
    ZINC000001575977    		 4 C16 H20 N2 O5 InChI=1S/C16H20N2O5/c1-11
    (14(19)18-9-5-8-13(18)15(
    20)21)17-16(22)23-10-12-6
    -3-2-4-7-12/h2-4,6-7,11,1
    3H,5,8-10H2,1H3,(H,17,22)
    (H,20,21)/t11-,13-/m0/s1;
    RSSOZTMMMIWOJB-AAEUAGOBSA-N    		 CC(C(=O)N1CCCC1C(=O)O)NC(=O)OCc2ccccc2;
    C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCc
    2ccccc2; C[CH](NC(=O)OCc1ccccc1)C(=O)N2C
    CC[CH]2C(O)=O; C[C@H](NC(=O)OCc1ccccc1)C
    (=O)N2CCC[C@H]2C(O)=O; O=C(O)C2N(C(=O)C(
    NC(=O)OCc1ccccc1)C)CCC2    		 N-[(BENZYLOXY)CARBONYL]-L-ALANYL-L-PROLINE;
    Z-ALA PROLINAL
    43688
    ZAI    		 0 C17 H29 N4 O9 P S InChI=1S/C17H29N4O9PS/c1-
    9-14(22)13(10(6-20-9)7-30
    -31(27,28)29)15(21-12(8-3
    2)17(25)26)19-5-3-2-4-11(
    18)16(23)24/h6,11-12,15,1
    9,21-22,32H,2-5,7-8,18H2,
    1H3,(H,23,24)(H,25,26)(H2
    ,27,28,29)/t11-,12+,15+/m
    0/s1;
    ZOOIRKLCYJDYSX-YWPYICTPSA-N    		 Cc1ncc(CO[P](O)(O)=O)c([C@H](NCCCC[C@H](
    N)C(O)=O)N[C@H](CS)C(O)=O)c1O; Cc1c(c(c(
    cn1)COP(=O)(O)O)[C@H](NCCCC[C@@H](C(=O)O
    )N)N[C@H](CS)C(=O)O)O; Cc1ncc(CO[P](O)(O
    )=O)c([CH](NCCCC[CH](N)C(O)=O)N[CH](CS)C
    (O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)C(NC
    CCCC(C(=O)O)N)NC(CS)C(=O)O)O    		 (2~{S})-2-azanyl-6-[[(~{R})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-[[(2~{S})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]methyl]amino]hexanoic acid
    43689
    ZAL
    CHEMBL441123
    ZINC000012502778    		 0 C9 H17 N O2 InChI=1S/C9H17NO2/c10-8(9
    (11)12)6-7-4-2-1-3-5-7/h7
    -8H,1-6,10H2,(H,11,12)/t8
    -/m1/s1;
    ORQXBVXKBGUSBA-MRVPVSSYSA-N    		 N[C@H](CC1CCCCC1)C(O)=O; O=C(O)C(N)CC1CC
    CCC1; C1CCC(CC1)CC(C(=O)O)N; N[CH](CC1CC
    CCC1)C(O)=O; C1CCC(CC1)C[C@H](C(=O)O)N    		 3-cyclohexyl-D-alanine
    43690
    ZAM
    CHEMBL109420
    DB03534
    ZINC000000591143    		 2 C22 H26 N4 O2 InChI=1S/C22H26N4O2/c1-15
    (27)24(2)13-18-11-17(9-10
    -20(18)23)22(28)25(3)14-1
    9-12-16-7-5-6-8-21(16)26(
    19)4/h5-12H,13-14,23H2,1-
    4H3;
    AWTBJNJPBKTHEV-UHFFFAOYSA-N    		 CN(Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C)
    C(C)=O; CC(=O)N(C)Cc1cc(ccc1N)C(=O)N(C)C
    c2cc3ccccc3n2C; O=C(N(C)Cc1c(N)ccc(c1)C(
    =O)N(C)Cc3cc2ccccc2n3C)C    		 3-[(ACETYL-METHYL-AMINO)-METHYL]-4-AMINO-N-METHYL-N-(1-METHYL-1H-INDOL-2-YLMETHYL)-BENZAMIDE
    43691
    ZAN
    ZINC000034177510    		 8 C10 H17 N6 O12 P3 InChI=1S/C10H17N6O12P3/c1
    1-8-5-9(13-2-12-8)16(3-14
    -5)10-7(18)6(17)4(27-10)1
    -26-29(19,20)15-30(21,22)
    28-31(23,24)25/h2-4,6-7,1
    0,17-18H,1H2,(H2,11,12,13
    )(H2,23,24,25)(H3,15,19,2
    0,21,22)/t4-,6-,7-,10-/m1
    /s1;
    WUPFAKUEHUVIDK-KQYNXXCUSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O
    )N; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)
    (NP(=O)(O)OP(=O)(O)O)O)O)O)N; Nc1ncnc2n(
    cnc12)[C@@H]3O[C@H](CO[P](O)(=O)N[P](O)(
    =O)O[P](O)(O)=O)[C@@H](O)[C@H]3O; Nc1ncn
    c2n(cnc12)[CH]3O[CH](CO[P](O)(=O)N[P](O)
    (=O)O[P](O)(O)=O)[CH](O)[CH]3O; O=P(O)(O
    )OP(=O)(O)NP(=O)(O)OCC3OC(n2cnc1c(ncnc12
    )N)C(O)C3O    		 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine
    43692
    ZAP
    DB08763
    ZINC000031260847    		 2 C16 H18 N3 O5 P InChI=1S/C16H18N3O5P/c17-
    14(18)12-6-8-13(9-7-12)15
    (25(21,22)23)19-16(20)24-
    10-11-4-2-1-3-5-11/h1-9,1
    5H,10H2,(H3,17,18)(H,19,2
    0)(H2,21,22,23)/t15-/m1/s
    1;
    FSNDLCSOLUMYRH-OAHLLOKOSA-N    		 NC(=N)c1ccc(cc1)[C@H](NC(=O)OCc2ccccc2)[
    P](O)(O)=O; [H]/N=C(\c1ccc(cc1)[C@H](NC(
    =O)OCc2ccccc2)P(=O)(O)O)/N; O=P(O)(O)C(c
    1ccc(C(=[N@H])N)cc1)NC(=O)OCc2ccccc2; NC
    (=N)c1ccc(cc1)[CH](NC(=O)OCc2ccccc2)[P](
    O)(O)=O; [H]N=C(c1ccc(cc1)C(NC(=O)OCc2cc
    ccc2)P(=O)(O)O)N    		 [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE;
    Z-AMIDINOPHENYLMETHANE-PHOSPHONATE
    43693
    ZAR
    CHEMBL313842
    DB02918
    ZINC000009230249    		 14 C12 H10 F2 N2 O3 InChI=1S/C12H10F2N2O3/c1-
    18-10-6-7(2-4-9(10)19-12(
    13)14)8-3-5-11(17)16-15-8
    /h2-6,12H,1H3,(H,16,17);
    HJMQDJPMQIHLPB-UHFFFAOYSA-N    		 O=C1C=CC(=NN1)c2cc(OC)c(OC(F)F)cc2; COc1
    cc(ccc1OC(F)F)C2=NNC(=O)C=C2    		 6-(4-DIFLUOROMETHOXY-3-METHOXY-PHENYL)-2H-PYRIDAZIN-3-ONE
    43694
    ZAS    		 3 C10 H12 N8 O3 InChI=1S/C10H12N8O3/c11-8
    -5-9(14-2-13-8)18(3-15-5)
    10-7(20)6(19)4(21-10)1-16
    -17-12/h2-4,6-7,10,19-20H
    ,1H2,(H2,11,13,14)/t4-,6-
    ,7-,10-/m1/s1;
    SKWSYTVBPHWKHX-KQYNXXCUSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CN=[N+]=[N-])O)O)N; Nc1ncnc2n(cnc
    12)[C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[
    C@H]3O; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN=
    [N+]=[N-])O)O)N; Nc1ncnc2n(cnc12)[CH]3O[
    CH](CN=[N+]=[N-])[CH](O)[CH]3O; Nc1ncnc2
    c1ncn2C1OC(C/N=[N+]=[N-])C(O)C1O    		 5'-azido-5'-deoxyadenosine
    43695
    ZAT
    CHEMBL142485
    ZINC000013981739    		 1 C19 H24 N10 O InChI=1S/C19H24N10O/c1-11
    (26-28-17(20)21)13-3-7-15
    (8-4-13)24-19(30)25-16-9-
    5-14(6-10-16)12(2)27-29-1
    8(22)23/h3-10H,1-2H3,(H4,
    20,21,28)(H4,22,23,29)(H2
    ,24,25,30)/b26-11+,27-12+;
    HCAQGQIHBFVVIX-LYXAAFRTSA-N    		 CC(=NNC(N)=N)c1ccc(NC(=O)Nc2ccc(cc2)C(C)
    =NNC(N)=N)cc1; C\C(=N/NC(N)=N)c1ccc(NC(=
    O)Nc2ccc(cc2)\C(C)=N\NC(N)=N)cc1; O=C(Nc
    1ccc(cc1)\C(=N\NC(=[N@H])N)C)Nc2ccc(\C(=
    N\NC(=[N@H])N)C)cc2; [H]N=C(N)NN=C(C)c1c
    cc(cc1)NC(=O)Nc2ccc(cc2)C(=NNC(=N[H])N)C
    ; [H]/N=C(\N)/N/N=C(\C)/c1ccc(cc1)NC(=O)
    Nc2ccc(cc2)/C(=N/N/C(=N/[H])/N)/C    		 4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE)
    43696
    ZAW
    CHEMBL1604922
    ZINC000000346100    		 0 C11 H8 N2 O InChI=1S/C11H8N2O/c14-11(
    9-3-1-5-12-7-9)10-4-2-6-1
    3-8-10/h1-8H;
    AQLPDLOXKZRZEV-UHFFFAOYSA-N    		 c1cc(cnc1)C(=O)c2cccnc2; O=C(c1cccnc1)c2
    cccnc2    		 di(pyridin-3-yl)methanone
    43697
    ZAZ
    ZINC000001702866    		 1 C11 H22 O InChI=1S/C11H22O/c12-10-6
    -2-5-9-11-7-3-1-4-8-11/h1
    1-12H,1-10H2;
    DOUCFSUZXLHVHJ-UHFFFAOYSA-N    		 C1CCC(CC1)CCCCCO; OCCCCCC1CCCCC1 5-cyclohexylpentan-1-ol
    43698
    ZB0    		 1 C8 H16 O6 InChI=1S/C8H16O6/c1-12-6-
    5(10)4(3-9)14-8(11)7(6)13
    -2/h4-11H,3H2,1-2H3/t4-,5
    -,6+,7-,8+/m1/s1;
    SQYIWHJCOMWKNU-CBQIKETKSA-N    		 CO[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@
    H]1OC; O(C)C1C(OC)C(O)C(OC1O)CO; CO[CH]1
    [CH](O)O[CH](CO)[CH](O)[CH]1OC; COC1C(C(
    OC(C1OC)O)CO)O; CO[C@H]1[C@@H]([C@H](O[C
    @@H]([C@@H]1OC)O)CO)O    		 2,3-di-O-methyl-alpha-D-glucopyranose
    43699
    ZB1
    ZINC000003861772    		 5 C7 H14 O6 InChI=1S/C7H14O6/c1-12-6-
    4(9)3(2-8)13-7(11)5(6)10/
    h3-11H,2H2,1H3/t3-,4-,5-,
    6+,7+/m1/s1;
    SCBBSJMAPKXHAH-OVHBTUCOSA-N    		 CO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@
    H]1O; COC1C(C(OC(C1O)O)CO)O; CO[C@H]1[C@
    @H]([C@H](O[C@@H]([C@@H]1O)O)CO)O; CO[CH
    ]1[CH](O)[CH](O)O[CH](CO)[CH]1O; O(C1C(O
    )C(OC(O)C1O)CO)C    		 3-O-methyl-alpha-D-glucopyranose
    43700
    ZB2
    ZINC000034191099    		 0 C7 H14 O6 InChI=1S/C7H14O6/c1-12-6-
    5(10)4(9)3(2-8)13-7(6)11/
    h3-11H,2H2,1H3/t3-,4-,5+,
    6-,7+/m1/s1;
    UMPNFVHHMOSNAC-ZFYZTMLRSA-N    		 CO[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O; CO
    [C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O
    )O; O(C)C1C(O)C(O)C(OC1O)CO; COC1C(C(C(O
    C1O)CO)O)O; CO[C@H]1[C@@H](O)O[C@H](CO)[
    C@@H](O)[C@@H]1O    		 2-O-methyl-alpha-D-glucopyranose
    43701
    ZB3    		 0 C8 H16 O6 InChI=1S/C8H16O6/c1-12-3-
    4-5(9)6(10)7(13-2)8(11)14
    -4/h4-11H,3H2,1-2H3/t4-,5
    -,6+,7-,8+/m1/s1;
    CJUQCEZPMNQPIV-CBQIKETKSA-N    		 O(C)C1C(O)C(O)C(OC1O)COC; COC[CH]1O[CH](
    O)[CH](OC)[CH](O)[CH]1O; COC[C@H]1O[C@H]
    (O)[C@H](OC)[C@@H](O)[C@@H]1O; COCC1C(C(
    C(C(O1)O)OC)O)O; COC[C@@H]1[C@H]([C@@H](
    [C@H]([C@H](O1)O)OC)O)O    		 2,6-di-O-methyl-alpha-D-glucopyranose
    43702
    ZB4
    CHEMBL4856175
    ZINC000058085799    		 8 C23 H31 N3 O3 S InChI=1S/C23H31N3O3S/c1-2
    9-23-14-8-7-13-22(23)26-1
    7-15-25(16-18-26)21-12-6-
    5-11-20(21)24-30(27,28)19
    -9-3-2-4-10-19/h2-4,7-10,
    13-14,20-21,24H,5-6,11-12
    ,15-18H2,1H3/t20-,21-/m0/
    s1;
    OVTXOMMQHRIKGL-SFTDATJTSA-N    		 COc1ccccc1N2CCN(CC2)C3CCCCC3NS(=O)(=O)c4
    ccccc4; COc1ccccc1N2CCN(CC2)[C@H]3CCCC[C
    @@H]3NS(=O)(=O)c4ccccc4; COc1ccccc1N2CCN
    (CC2)[CH]3CCCC[CH]3N[S](=O)(=O)c4ccccc4;
    O=S(=O)(NC1CCCCC1N1CCN(CC1)c1ccccc1OC)c
    1ccccc1; COc1ccccc1N2CCN(CC2)[C@H]3CCCC[
    C@@H]3N[S](=O)(=O)c4ccccc4    		 N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide
    43703
    ZB6
    ZINC000000235512    		 1 C10 H17 N O3 S InChI=1S/C10H17NO3S/c1-7-
    3-2-4-8(10(13)14)11(7)9(1
    2)5-6-15/h7-8,15H,2-6H2,1
    H3,(H,13,14)/t7-,8-/m1/s1;
    UHIOKYGCFGNNCU-HTQZYQBOSA-N    		 C[C@@H]1CCC[C@@H](N1C(=O)CCS)C(=O)O; CC1
    CCCC(N1C(=O)CCS)C(=O)O; O=C(N1C(C(=O)O)C
    CCC1C)CCS; C[CH]1CCC[CH](N1C(=O)CCS)C(O)
    =O; C[C@@H]1CCC[C@@H](N1C(=O)CCS)C(O)=O    		 (2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid
    43704
    ZB9
    CHEMBL5276931    		 1 C20 H22 Cl2 N6 O InChI=1S/C20H22Cl2N6O/c1-
    27(20-17-4-5-23-19(17)25-
    12-26-20)16-3-2-6-28(11-1
    6)18(29)10-24-15-8-13(21)
    7-14(22)9-15/h4-5,7-9,12,
    16,24H,2-3,6,10-11H2,1H3,
    (H,23,25,26)/t16-/m1/s1;
    RXWBGONJVWQVFN-MRXNPFEDSA-N    		 CN([CH]1CCCN(C1)C(=O)CNc2cc(Cl)cc(Cl)c2)
    c3ncnc4[nH]ccc34; CN([C@@H]1CCCN(C1)C(=O
    )CNc2cc(Cl)cc(Cl)c2)c3ncnc4[nH]ccc34; CN
    (c1c2cc[nH]c2ncn1)[C@@H]3CCCN(C3)C(=O)CN
    c4cc(cc(c4)Cl)Cl; O=C(CNc1cc(Cl)cc(Cl)c1
    )N1CCCC(C1)N(C)c1ncnc2[NH]ccc21; CN(c1c2
    cc[nH]c2ncn1)C3CCCN(C3)C(=O)CNc4cc(cc(c4
    )Cl)Cl    		 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}ethan-1-one
    43705
    ZBA
    ZINC000058649583    		 5 C24 H32 O9 InChI=1S/C24H32O9/c1-12(2
    )7-18(27)32-16-9-23(10-29
    -14(4)25)17(8-13(16)3)33-
    21-19(28)20(31-15(5)26)22
    (23,6)24(21)11-30-24/h8,1
    6-17,19-21,28H,1,7,9-11H2
    ,2-6H3/t16-,17+,19+,20+,2
    1+,22+,23+,24-/m0/s1;
    JESYGVLQSIZOBZ-QYWOHJEZSA-N    		 CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(=C)C)(
    [C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O
    )OC(=O)C)C)COC(=O)C; O=C(OC4C(=CC3OC2C1(
    OC1)C(C(OC(=O)C)C2O)(C)C3(COC(=O)C)C4)C)
    CC(=C)\C; CC(=C)CC(=O)O[C@H]1C[C@@]2(COC
    (C)=O)[C@H](O[C@@H]3[C@H](O)[C@@H](OC(C)
    =O)[C@@]2(C)[C@]34CO4)C=C1C; CC(=C)CC(=O
    )O[CH]1C[C]2(COC(C)=O)[CH](O[CH]3[CH](O)
    [CH](OC(C)=O)[C]2(C)[C]34CO4)C=C1C; CC1=
    CC2C(CC1OC(=O)CC(=C)C)(C3(C(C(C(C34CO4)O
    2)O)OC(=O)C)C)COC(=O)C    		 12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate
    43706
    ZBC
    ZINC000058649731    		 0 C7 H11 Br N3 O6 P InChI=1S/C7H11BrN3O6P/c8-
    5-2-11(7(13)10-6(5)9)1-4(
    12)3-17-18(14,15)16/h2,4,
    12H,1,3H2,(H2,9,10,13)(H2
    ,14,15,16)/t4-/m0/s1;
    VBQHVDIFDLFEIT-BYPYZUCNSA-N    		 C1=C(C(=NC(=O)N1C[C@@H](COP(=O)(O)O)O)N)
    Br; NC1=NC(=O)N(C[CH](O)CO[P](O)(O)=O)C=
    C1Br; C1=C(C(=NC(=O)N1CC(COP(=O)(O)O)O)N
    )Br; O=C1N=C(C(Br)=CN1CC(O)COP(=O)(O)O)N
    ; NC1=NC(=O)N(C[C@H](O)CO[P](O)(O)=O)C=C
    1Br    		 (2S)-3-(4-AMINO-5-BROMO-2-OXOPYRIMIDIN-1(2H)-YL)-2-HYDROXYPROPYL DIHYDROGEN PHOSPHATE
    43707
    ZBD
    ZINC000231374928    		 1 C25 H29 F6 N3 O5 S InChI=1S/C25H29F6N3O5S/c1
    -17(13-15-35)32(2)22(36)8
    -5-14-33-20-6-3-4-7-21(20
    )34(40(33,38)39)16-18-9-1
    1-19(12-10-18)23(37,24(26
    ,27)28)25(29,30)31/h3-4,6
    -7,9-12,17,35,37H,5,8,13-
    16H2,1-2H3/t17-/m1/s1;
    SULHDXFOLGGHOR-QGZVFWFLSA-N    		 C[CH](CCO)N(C)C(=O)CCCN1c2ccccc2N(Cc3ccc
    (cc3)C(O)(C(F)(F)F)C(F)(F)F)[S]1(=O)=O;
    C[C@H](CCO)N(C)C(=O)CCCN1c2ccccc2N(Cc3cc
    c(cc3)C(O)(C(F)(F)F)C(F)(F)F)[S]1(=O)=O;
    C[C@H](CCO)N(C)C(=O)CCCN1c2ccccc2N(S1(=
    O)=O)Cc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O;
    N2(c1ccccc1N(S2(=O)=O)CCCC(N(C(C)CCO)C)=
    O)Cc3ccc(cc3)C(C(F)(F)F)(O)C(F)(F)F; CC(
    CCO)N(C)C(=O)CCCN1c2ccccc2N(S1(=O)=O)Cc3
    ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O    		 4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl}-N-[(2R)-4-hydroxybutan-2-yl]-N-methylbutanamide
    43708
    ZBF
    CHEMBL4436073
    ZINC000210264517    		 4 C20 H24 N4 O8 InChI=1S/C20H24N4O8/c1-2-
    12-4-3-5-13(10-12)24(32)1
    7(26)9-7-15(19(29)22-11-1
    8(27)28)23-16(25)8-6-14(2
    1)20(30)31/h1,3-5,10,14-1
    5,32H,6-9,11,21H2,(H,22,2
    9)(H,23,25)(H,27,28)(H,30
    ,31)/t14-,15-/m0/s1;
    DNHXPPJCZZCCCC-GJZGRUSLSA-N    		 C#Cc1cccc(c1)N(C(=O)CCC(C(=O)NCC(=O)O)NC
    (=O)CCC(C(=O)O)N)O; N[CH](CCC(=O)N[CH](C
    CC(=O)N(O)c1cccc(c1)C#C)C(=O)NCC(O)=O)C(
    O)=O; N[C@@H](CCC(=O)N[C@@H](CCC(=O)N(O)
    c1cccc(c1)C#C)C(=O)NCC(O)=O)C(O)=O; C#Cc
    1cccc(c1)N(C(=O)CC[C@@H](C(=O)NCC(=O)O)N
    C(=O)CC[C@@H](C(=O)O)N)O; O=C(O)C(N)CCC(
    =O)NC(C(=O)NCC(=O)O)CCC(=O)N(O)c1cc(C#C)
    ccc1    		 L-gamma-glutamyl-N-(3-ethynylphenyl)-N-hydroxy-L-glutaminylglycine
    43709
    ZBH
    ZINC000170689220    		 0 C10 H14 N2 O S InChI=1S/C10H14N2OS/c1-6-
    12-9-7(10(13)11-2)4-3-5-8
    (9)14-6/h7H,3-5H2,1-2H3,(
    H,11,13)/t7-/m0/s1;
    VHNBWPBVIQVVTE-ZETCQYMHSA-N    		 Cc1nc2c(s1)CCC[C@@H]2C(=O)NC; CNC(=O)[CH
    ]1CCCc2sc(C)nc12; Cc1nc2c(s1)CCCC2C(=O)N
    C; CNC(=O)[C@H]1CCCc2sc(C)nc12; CNC(=O)C
    1CCCc2sc(C)nc21    		 (4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
    43710
    ZBL    		 1 C25 H27 Cl N2 O7 InChI=1S/C25H27ClN2O7/c26
    -15-3-4-17-13(9-15)1-2-14
    -10-16(29)11-27-19(14)18(
    17)12-5-7-28(8-6-12)24-22
    (32)20(30)21(31)23(35-24)
    25(33)34/h3-4,9-11,20-24,
    29-32H,1-2,5-8H2,(H,33,34
    )/t20-,21-,22+,23-,24+/m0
    /s1;
    ABXRQJRQHLGUBH-OSFFKXSWSA-N    		 c1cc2c(cc1Cl)CCc3cc(cnc3C2=C4CCN(CC4)[C@
    H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O
    )O)O)O; c1cc2c(cc1Cl)CCc3cc(cnc3C2=C4CCN
    (CC4)C5C(C(C(C(O5)C(=O)O)O)O)O)O; O[C@@H
    ]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O
    )N2CC\C(CC2)=C3/c4ccc(Cl)cc4CCc5cc(O)cnc
    35; O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=
    O)N2CCC(CC2)=C3c4ccc(Cl)cc4CCc5cc(O)cnc3
    5; Clc1cc2CCc3cc(O)cnc3C(\c2cc1)=C1/CCN(
    CC1)C1OC(C(O)C(O)C1O)C(=O)O    		 8-chloro-11-(1-beta-D-glucopyranuronosylpiperidin-4-ylidene)-3-hydroxy-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
    43711
    ZBR
    ZINC000003121805    		 0 C9 H9 Br3 InChI=1S/C9H9Br3/c10-4-7-
    1-8(5-11)3-9(2-7)6-12/h1-
    3H,4-6H2;
    GHITVUOBZBZMND-UHFFFAOYSA-N    		 c1c(cc(cc1CBr)CBr)CBr; BrCc1cc(CBr)cc(CB
    r)c1; BrCc1cc(cc(c1)CBr)CBr    		 1,3,5-tris(bromomethyl)benzene
    43712
    ZBS
    CHEMBL4466771
    ZINC000219752308    		 1 C26 H26 N6 O2 S2 InChI=1S/C26H26N6O2S2/c33
    -21(14-17-8-3-1-4-9-17)27
    -25-31-29-23(35-25)19-12-
    7-13-20(16-19)24-30-32-26
    (36-24)28-22(34)15-18-10-
    5-2-6-11-18/h1-6,8-11,19-
    20H,7,12-16H2,(H,27,31,33
    )(H,28,32,34)/t19-,20-/m0
    /s1;
    CZRVPWLXPUBTMI-PMACEKPBSA-N    		 c1ccc(cc1)CC(=O)Nc2nnc(s2)[C@H]3CCC[C@@H
    ](C3)c4nnc(s4)NC(=O)Cc5ccccc5; O=C(Cc1cc
    ccc1)Nc2sc(nn2)[CH]3CCC[CH](C3)c4sc(NC(=
    O)Cc5ccccc5)nn4; c1ccc(cc1)CC(=O)Nc2nnc(
    s2)C3CCCC(C3)c4nnc(s4)NC(=O)Cc5ccccc5; O
    =C(Cc1ccccc1)Nc2sc(nn2)[C@H]3CCC[C@@H](C
    3)c4sc(NC(=O)Cc5ccccc5)nn4    		 2-phenyl-~{N}-[5-[(1~{S},3~{S})-3-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamide
    43713
    ZBT
    ZINC000005924623    		 1 C7 H13 N S InChI=1S/C7H13NS/c1-3-6(2
    )7-8-4-5-9-7/h6H,3-5H2,1-
    2H3/t6-/m0/s1;
    SAWWKXMIPYUIBW-LURJTMIESA-N    		 CC[C@H](C)C1=NCCS1; CC[CH](C)C1=NCCS1; C
    CC(C)C1=NCCS1    		 2-[(1S)-1-methylpropyl]-4,5-dihydro-1,3-thiazole;
    2-sec-butyl-4,5-dihydrothiazole
    43714
    ZBU
    ZINC000066156999    		 0 C7 H10 Br N2 O7 P InChI=1S/C7H10BrN2O7P/c8-
    5-2-10(7(13)9-6(5)12)1-4(
    11)3-17-18(14,15)16/h2,4,
    11H,1,3H2,(H,9,12,13)(H2,
    14,15,16)/t4-/m0/s1;
    FBWWPOSBYNOMBJ-BYPYZUCNSA-N    		 O[CH](CO[P](O)(O)=O)CN1C=C(Br)C(=O)NC1=O
    ; O[C@H](CO[P](O)(O)=O)CN1C=C(Br)C(=O)NC
    1=O; C1=C(C(=O)NC(=O)N1CC(COP(=O)(O)O)O)
    Br; O=P(O)(O)OCC(O)CN1C=C(Br)C(=O)NC1=O;
    C1=C(C(=O)NC(=O)N1C[C@@H](COP(=O)(O)O)O
    )Br    		 (S)-1'-(2',3'-DIHYDROXYPROPYL)-5-BROMO-URACIL
    43715
    ZBX    		 1 C23 H22 O8 InChI=1S/C23H22O8/c1-4-23
    (29)9-13(24)15-11(18(23)2
    2(28)31-3)8-12-17(20(15)2
    6)21(27)16-10(19(12)25)6-
    5-7-14(16)30-2/h5-8,13,18
    ,24,26,29H,4,9H2,1-3H3/t1
    3-,18-,23+/m0/s1;
    NTDFHDOMIWPJES-PUMRXTBWSA-N    		 CC[C@@]1(O)C[C@H](O)c2c(O)c3C(=O)c4c(OC)
    cccc4C(=O)c3cc2[C@H]1C(=O)OC; CC[C@]1(C[
    C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4OC)C3=O
    )[C@H]1C(=O)OC)O)O; CC[C]1(O)C[CH](O)c2c
    (O)c3C(=O)c4c(OC)cccc4C(=O)c3cc2[CH]1C(=
    O)OC; CCC1(CC(c2c(cc3c(c2O)C(=O)c4c(cccc
    4OC)C3=O)C1C(=O)OC)O)O    		 methyl (1R,2R,4S)-2-ethyl-7-methoxy-2,4,5-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate
    43716
    ZBZ
    CHEMBL1561060
    ZINC000003954221    		 0 C10 H11 N O3 S InChI=1S/C10H11NO3S/c11-8
    (9(12)13)6-15-10(14)7-4-2
    -1-3-5-7/h1-5,8H,6,11H2,(
    H,12,13)/t8-/m0/s1;
    OWZIPHGMKGSDNS-QMMMGPOBSA-N    		 O=C(O)C(N)CSC(=O)c1ccccc1; c1ccc(cc1)C(=
    O)SC[C@@H](C(=O)O)N; c1ccc(cc1)C(=O)SCC(
    C(=O)O)N; N[CH](CSC(=O)c1ccccc1)C(O)=O;
    N[C@@H](CSC(=O)c1ccccc1)C(O)=O    		 S-(phenylcarbonyl)-L-cysteine
    43717
    ZC0
    CHEMBL3287379
    DB12796    		 0 C18 H15 F3 N4 O4 InChI=1S/C18H15F3N4O4/c19
    -12-7-13(15(20)16(21)17(1
    2)24-4-1-10(26)2-5-24)25-
    9-11(29-18(25)27)8-22-14-
    3-6-28-23-14/h1,3-4,6-7,1
    1H,2,5,8-9H2,(H,22,23)/t1
    1-/m0/s1;
    SULYVXZZUMRQAX-NSHDSACASA-N    		 c1conc1NC[C@H]2CN(C(=O)O2)c3cc(c(c(c3F)F
    )N4CCC(=O)C=C4)F; c1conc1NCC2CN(C(=O)O2)
    c3cc(c(c(c3F)F)N4CCC(=O)C=C4)F; Fc1cc(N2
    C[CH](CNc3ccon3)OC2=O)c(F)c(F)c1N4CCC(=O
    )C=C4; Fc1cc(N2C[C@H](CNc3ccon3)OC2=O)c(
    F)c(F)c1N4CCC(=O)C=C4; C1C(C=CN(C1)c2c(F
    )cc(c(c2F)F)N3CC(OC3=O)CNc4ccon4)=O    		 Contezolid;
    MRX-I
    43718
    ZC3
    CHEMBL4754469
    ZINC000584905719    		 4 C9 H7 F N2 O S InChI=1S/C9H7FN2OS/c1-5(1
    3)11-9-12-7-4-6(10)2-3-8(
    7)14-9/h2-4H,1H3,(H,11,12
    ,13);
    DPZGAHUPXGKUDW-UHFFFAOYSA-N    		 CC(=O)Nc1nc2cc(ccc2s1)F; CC(=O)Nc1sc2ccc
    (F)cc2n1    		 N-(5-FLUORANYL-1,3-BENZOTHIAZOL-2-YL)ETHANAMIDE
    43719
    ZC9
    ZINC000143636950    		 2 C8 H6 F N3 InChI=1S/C8H6FN3/c9-6-1-2
    -7(10-5-6)8-3-4-11-12-8/h
    1-5H,(H,11,12);
    ADBMBWBQQBJNNZ-UHFFFAOYSA-N    		 c1cc(ncc1F)c2ccn[nH]2; Fc1cnc(cc1)c1ccn[
    NH]1; Fc1ccc(nc1)c2[nH]ncc2    		 (2P)-5-fluoro-2-(1H-pyrazol-5-yl)pyridine
    43720
    ZCD
    ZINC000004097152    		 0 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3+,4-,5+,6+/m
    1/s1;
    WQZGKKKJIJFFOK-RDQKPOQOSA-N    		 OC[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1
    O; C(C1C(C(C(C(O1)O)O)O)O)O; OC[CH]1O[CH
    ](O)[CH](O)[CH](O)[CH]1O; C([C@@H]1[C@@H
    ]([C@H]([C@@H]([C@H](O1)O)O)O)O)O; OC1C(
    O)C(OC(O)C1O)CO    		 alpha-D-idopyranose;
    alpha-D-idose;
    D-idose;
    idose
    43721
    ZCF
    CHEMBL1598041    		 1 C21 H27 N5 O InChI=1S/C21H27N5O/c1-16-
    6-8-18(9-7-16)21(10-4-5-1
    1-21)20-23-19(27-24-20)15
    -25(2)13-17-12-22-26(3)14
    -17/h6-9,12,14H,4-5,10-11
    ,13,15H2,1-3H3;
    PYOPUXIDJFMOTI-UHFFFAOYSA-N    		 CN(Cc1cnn(C)c1)Cc2onc(n2)C3(CCCC3)c4ccc(
    C)cc4; Cn1cc(cn1)CN(C)Cc1nc(no1)C1(CCCC1
    )c1ccc(C)cc1; Cc1ccc(cc1)C2(CCCC2)c3nc(o
    n3)CN(C)Cc4cnn(c4)C    		 N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]methanamine
    43722
    ZCI
    CHEMBL292042
    ZINC000002577854    		 3 C3 H3 Br N2 InChI=1S/C3H3BrN2/c4-3-5-
    1-2-6-3/h1-2H,(H,5,6);
    AXHRGVJWDJDYPO-UHFFFAOYSA-N    		 Brc1[nH]ccn1; Brc1ncc[NH]1; c1cnc([nH]1)
    Br    		 2-bromo-1H-imidazole
    43723
    ZCL
    CHEMBL4866247
    ZINC000001652104    		 0 C9 H9 Cl2 N O2 InChI=1S/C9H9Cl2NO2/c10-6
    -2-1-5(3-7(6)11)4-8(12)9(
    13)14/h1-3,8H,4,12H2,(H,1
    3,14)/t8-/m0/s1;
    NRCSJHVDTAAISV-QMMMGPOBSA-N    		 c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)Cl; c1cc(c
    (cc1CC(C(=O)O)N)Cl)Cl; Clc1ccc(cc1Cl)CC(
    C(=O)O)N; N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(O)
    =O; N[CH](Cc1ccc(Cl)c(Cl)c1)C(O)=O    		 3,4-dichloro-L-phenylalanine
    43724
    ZCM    		 0 Cm InChI=1S/Cm/q+3;
    NIWWFAAXEMMFMS-UHFFFAOYSA-N    		 [Cm+3] CURIUM ION
    43725
    ZCQ
    CHEMBL13888
    ZINC000001576887    		 3 C6 H5 N O3 InChI=1S/C6H5NO3/c8-6-3-1
    -2-5(4-6)7(9)10/h1-4,8H;
    RTZZCYNQPHTPPL-UHFFFAOYSA-N    		 O=[N+]([O-])c1cccc(O)c1; c1cc(cc(c1)O)[N
    +](=O)[O-]; Oc1cccc(c1)[N+]([O-])=O    		 3-nitrophenol
    43726
    ZCT
    ZINC000058649733    		 9 C32 H26 O14 InChI=1S/C32H26O14/c1-9-2
    1-15(3-11(45-9)5-19(35)36
    )29(41)23-17(33)7-13(27(3
    9)25(23)31(21)43)14-8-18(
    34)24-26(28(14)40)32(44)2
    2-10(2)46-12(6-20(37)38)4
    -16(22)30(24)42/h7-12,33-
    34,39-40H,3-6H2,1-2H3,(H,
    35,36)(H,37,38)/t9-,10-,1
    1+,12+/m1/s1;
    VTIKDEXOEJDMJP-WYUUTHIRSA-N    		 C[C@@H]1C2=C(C[C@H](O1)CC(=O)O)C(=O)c3c(
    cc(c(c3C2=O)O)c4cc(c5c(c4O)C(=O)C6=C(C5=
    O)C[C@H](O[C@@H]6C)CC(=O)O)O)O; C[CH]1O[
    CH](CC(O)=O)CC2=C1C(=O)c3c(O)c(cc(O)c3C2
    =O)c4cc(O)c5C(=O)C6=C([CH](C)O[CH](CC(O)
    =O)C6)C(=O)c5c4O; O=C(O)CC6OC(C5=C(C(=O)
    c4c(O)cc(c2cc(O)c1C(=O)C3=C(C(=O)c1c2O)C
    (OC(C3)CC(=O)O)C)c(O)c4C5=O)C6)C; C[C@H]
    1O[C@H](CC(O)=O)CC2=C1C(=O)c3c(O)c(cc(O)
    c3C2=O)c4cc(O)c5C(=O)C6=C([C@@H](C)O[C@H
    ](CC(O)=O)C6)C(=O)c5c4O; CC1C2=C(CC(O1)C
    C(=O)O)C(=O)c3c(cc(c(c3C2=O)O)c4cc(c5c(c
    4O)C(=O)C6=C(C5=O)CC(OC6C)CC(=O)O)O)O    		 2,2'-[(1R,1'R,3S,3'S)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1H,1'H-8,8'-bibenzo[g]isochromene-3,3'-diyl]diacetic acid
    43727
    ZCW
    CHEMBL226545
    ZINC000000003252    		 13 C10 H11 N O InChI=1S/C10H11NO/c12-6-5
    -8-7-11-10-4-2-1-3-9(8)10
    /h1-4,7,11-12H,5-6H2;
    MBBOMCVGYCRMEA-UHFFFAOYSA-N    		 OCCc1c[nH]c2ccccc12; OCCc2c1ccccc1nc2; c
    1ccc2c(c1)c(c[nH]2)CCO    		 2-(1H-indol-3-yl)ethanol
    43728
    ZCY
    ZINC000058649738    		 0 C7 H12 N3 O6 P InChI=1S/C7H12N3O6P/c8-6-
    1-2-10(7(12)9-6)3-5(11)4-
    16-17(13,14)15/h1-2,5,11H
    ,3-4H2,(H2,8,9,12)(H2,13,
    14,15)/t5-/m0/s1;
    IQHBYFSDRWZBDG-YFKPBYRVSA-N    		 O=C1N=C(C=CN1CC(O)COP(=O)(O)O)N; NC1=NC(
    =O)N(C[CH](O)CO[P](O)(O)=O)C=C1; C1=CN(C
    (=O)N=C1N)C[C@@H](COP(=O)(O)O)O; C1=CN(C
    (=O)N=C1N)CC(COP(=O)(O)O)O; NC1=NC(=O)N(
    C[C@H](O)CO[P](O)(O)=O)C=C1    		 (S)-1'-(2',3'-DIHYDROXYPROPYL)-CYTOSINE
    43729
    ZCZ    		 1 C11 H21 N O7 InChI=1S/C11H21NO7/c1-5-7
    (12-10(16)6(14)3-4-13)8(1
    5)9(18-2)11(17)19-5/h5-9,
    11,13-15,17H,3-4H2,1-2H3,
    (H,12,16)/t5-,6-,7-,8+,9+
    ,11+/m1/s1;
    BYURRTCQJAPYFR-CWJAVHARSA-N    		 CO[CH]1[CH](O)O[CH](C)[CH](NC(=O)[CH](O)
    CCO)[CH]1O; CC1C(C(C(C(O1)O)OC)O)NC(=O)C
    (CCO)O; CO[C@@H]1[C@@H](O)O[C@H](C)[C@@H
    ](NC(=O)[C@H](O)CCO)[C@@H]1O; O=C(NC1C(O
    C(O)C(OC)C1O)C)C(O)CCO; C[C@@H]1[C@H]([C
    @@H]([C@@H]([C@H](O1)O)OC)O)NC(=O)[C@@H]
    (CCO)O    		 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranose
    43730
    ZD0    		 1 C11 H21 N O7 InChI=1S/C11H21NO7/c1-5-7
    (12-10(17)6(14)3-4-13)8(1
    5)9(16)11(18-2)19-5/h5-9,
    11,13-16H,3-4H2,1-2H3,(H,
    12,17)/t5-,6-,7-,8+,9+,11
    +/m1/s1;
    ASFHRCHAPWVLRF-CWJAVHARSA-N    		 CC1C(C(C(C(O1)OC)O)O)NC(=O)C(CCO)O; CO[C
    @H]1O[C@H](C)[C@@H](NC(=O)[C@H](O)CCO)[C
    @H](O)[C@@H]1O; O=C(NC1C(OC(OC)C(O)C1O)C
    )C(O)CCO; C[C@@H]1[C@H]([C@@H]([C@@H]([C
    @H](O1)OC)O)O)NC(=O)[C@@H](CCO)O; CO[CH]
    1O[CH](C)[CH](NC(=O)[CH](O)CCO)[CH](O)[C
    H]1O    		 methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-alpha-D-mannopyranoside
    43731
    ZD1    		 2 C13 H23 N O9 InChI=1S/C13H23NO9/c14-5-
    1-4(2-15)12(10(20)7(5)17)
    23-13-11(21)9(19)8(18)6(3
    -16)22-13/h1,5-13,15-21H,
    2-3,14H2/t5-,6+,7-,8+,9-,
    10+,11+,12+,13+/m0/s1;
    UINFOZNGFLXUEC-QHWKHWDXSA-N    		 N[C@H]1C=C(CO)[C@@H](O[C@H]2O[C@H](CO)[C
    @@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O;
    C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O[C@
    @H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)
    O)CO; N[CH]1C=C(CO)[CH](O[CH]2O[CH](CO)[
    CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O; OCC1=
    CC(N)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O; C1=
    C(C(C(C(C1N)O)O)OC2C(C(C(C(O2)CO)O)O)O)C
    O    		 (1R,4S,5S,6R)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside
    43732
    ZD2
    ZINC000015203321    		 4 C9 H11 N5 O3 InChI=1S/C9H11N5O3/c10-7-
    6-8(12-3-11-7)14(4-13-6)2
    -1-5(15)9(16)17/h3-5,15H,
    1-2H2,(H,16,17)(H2,10,11,
    12)/t5-/m0/s1;
    NWPWVFAEENVVJM-YFKPBYRVSA-N    		 Nc1ncnc2n(CC[CH](O)C(O)=O)cnc12; Nc1ncnc
    2n(CC[C@H](O)C(O)=O)cnc12; c1nc(c2c(n1)n
    (cn2)CCC(C(=O)O)O)N; c1nc(c2c(n1)n(cn2)C
    C[C@@H](C(=O)O)O)N; O=C(O)C(CCn2c1ncnc(c
    1nc2)N)O    		 (2S)-4-(6-amino-9H-purin-9-yl)-2-hydroxybutanoic acid
    43733
    ZD3    		 1 C16 H18 F3 N3 O InChI=1S/C16H18F3N3O/c1-1
    0-2-3-13-12(6-10)14(7-15(
    21-13)16(17,18)19)22-5-4-
    20-11(8-22)9-23/h2-3,6-7,
    11,20,23H,4-5,8-9H2,1H3/t
    11-/m0/s1;
    BWADWGMLGZVJNC-NSHDSACASA-N    		 Cc1ccc2nc(cc(N3CCN[C@H](CO)C3)c2c1)C(F)(
    F)F; Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCN[
    C@@H](C3)CO; FC(F)(F)c1cc(c2cc(C)ccc2n1)
    N1CC(NCC1)CO; Cc1ccc2c(c1)c(cc(n2)C(F)(F
    )F)N3CCNC(C3)CO; Cc1ccc2nc(cc(N3CCN[CH](
    CO)C3)c2c1)C(F)(F)F    		 {(2S)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol
    43734
    ZD4    		 1 C10 H14 Cl N5 O10 P2 InChI=1S/C10H14ClN5O10P2/
    c11-10-14-7(12)4-8(15-10)
    16(2-13-4)9-6(18)5(17)3(2
    5-9)1-24-28(22,23)26-27(1
    9,20)21/h2-3,5-6,9,17-18H
    ,1H2,(H,22,23)(H2,12,14,1
    5)(H2,19,20,21)/t3-,5-,6-
    ,9-/m1/s1;
    POWNGKCXGCOKLX-UUOKFMHZSA-N    		 c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H]
    (O3)COP(=O)(O)OP(=O)(O)O)O)O)Cl)N; Nc1nc
    (Cl)nc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O
    )O[P](O)(O)=O)[C@@H](O)[C@H]3O; O=P(O)(O
    )OP(=O)(O)OCC1OC(n2cnc3c(N)nc(Cl)nc32)C(
    O)C1O; c1nc2c(nc(nc2n1C3C(C(C(O3)COP(=O)
    (O)OP(=O)(O)O)O)O)Cl)N; Nc1nc(Cl)nc2n(cn
    c12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)
    [CH](O)[CH]3O    		 2-chloroadenosine 5'-(trihydrogen diphosphate)
    43735
    ZD5    		 1 C16 H18 F3 N3 O InChI=1S/C16H18F3N3O/c1-1
    0-2-3-13-12(6-10)14(7-15(
    21-13)16(17,18)19)22-5-4-
    20-11(8-22)9-23/h2-3,6-7,
    11,20,23H,4-5,8-9H2,1H3/t
    11-/m1/s1;
    BWADWGMLGZVJNC-LLVKDONJSA-N    		 Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCN[C@H](
    C3)CO; FC(F)(F)c1cc(c2cc(C)ccc2n1)N1CC(N
    CC1)CO; Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3C
    CNC(C3)CO; Cc1ccc2nc(cc(N3CCN[CH](CO)C3)
    c2c1)C(F)(F)F; Cc1ccc2nc(cc(N3CCN[C@@H](
    CO)C3)c2c1)C(F)(F)F    		 {(2R)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol
    43736
    ZD6
    CHEMBL24828
    DB05294
    ZINC000053683345    		 1 C22 H24 Br F N4 O2 InChI=1S/C22H24BrFN4O2/c1
    -28-7-5-14(6-8-28)12-30-2
    1-11-19-16(10-20(21)29-2)
    22(26-13-25-19)27-18-4-3-
    15(23)9-17(18)24/h3-4,9-1
    1,13-14H,5-8,12H2,1-2H3,(
    H,25,26,27);
    UHTHHESEBZOYNR-UHFFFAOYSA-N    		 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(
    C)CC4; CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)
    Nc4ccc(cc4F)Br    		 Vandetanib;
    ZD6474
    43737
    ZD7
    CHEMBL159096
    ZINC000003784334    		 1 C26 H26 N6 O InChI=1S/C26H26N6O/c1-3-1
    9-15-24-22(23(4-2)27-19)1
    3-14-25(33)32(24)16-17-9-
    11-18(12-10-17)20-7-5-6-8
    -21(20)26-28-30-31-29-26/
    h5-12,15H,3-4,13-14,16H2,
    1-2H3,(H,28,29,30,31);
    BFVNEYDCFJNLGN-UHFFFAOYSA-N    		 CCc1cc2N(Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C
    (=O)CCc2c(CC)n1; O=C2N(c1cc(nc(c1CC2)CC)
    CC)Cc5ccc(c3ccccc3c4nnnn4)cc5; CCc1cc2c(
    c(n1)CC)CCC(=O)N2Cc3ccc(cc3)c4ccccc4c5[n
    H]nnn5    		 5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one
    43738
    ZD9
    ZINC000095920937    		 2 C14 H15 N3 O InChI=1S/C14H15N3O/c1-4-5
    -15-8-11-7-12-13(6-9(11)2
    )16-10(3)17-14(12)18/h6-7
    ,15H,8H2,1-3H3,(H,16,17,1
    8);
    VHJQNTIPWBTKDM-UHFFFAOYSA-N    		 CC#CNCc1cc2c(cc1C)N=C(NC2=O)C; CC#CNCc1c
    c2C(=O)NC(=Nc2cc1C)C; O=C1c2cc(c(cc2N=C(
    N1)C)C)CNC#CC    		 2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3H)-one
    43739
    ZDA
    CHEMBL1162355
    ZINC000013829365    		 8 C10 H16 N5 O11 P3 InChI=1S/C10H16N5O11P3/c1
    -5-6(24-28(19,20)26-29(21
    ,22)25-27(16,17)18)2-7(23
    -5)15-4-14-8-9(11)12-3-13
    -10(8)15/h3-7H,2H2,1H3,(H
    ,19,20)(H,21,22)(H2,11,12
    ,13)(H2,16,17,18)/t5-,6+,
    7-/m1/s1;
    ZJGUOEYCABTFNH-DSYKOEDSSA-N    		 C[C@H]1O[C@H](C[C@@H]1O[P](O)(=O)O[P](O)
    (=O)O[P](O)(O)=O)n2cnc3c(N)ncnc23; O=P(O
    )(O)OP(=O)(O)OP(=O)(O)OC3C(OC(n2cnc1c(nc
    nc12)N)C3)C; C[CH]1O[CH](C[CH]1O[P](O)(=
    O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3c(N)ncnc
    23; C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncn
    c3N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O; CC1C(C
    C(O1)n2cnc3c2ncnc3N)OP(=O)(O)OP(=O)(O)OP
    (=O)(O)O    		 2',5'-dideoxyadenosine 3'-(tetrahydrogen triphosphate);
    2',5'-DIDEOXYADENOSINE 3'-TRIPHOSPHATE
    43740
    ZDC
    ZINC000166514822    		 113 C8 H14 O6 InChI=1S/C8H14O6/c1-3-6(1
    1)8(13)7(12)4(14-3)2-5(9)
    10/h3-4,6-8,11-13H,2H2,1H
    3,(H,9,10)/t3-,4-,6+,7+,8
    +/m0/s1;
    YTZUDUWVQZSKNN-OASCRQMUSA-N    		 O=C(O)CC1OC(C(O)C(O)C1O)C; CC1C(C(C(C(O1
    )CC(=O)O)O)O)O; C[C@@H]1O[C@@H](CC(O)=O)
    [C@@H](O)[C@H](O)[C@@H]1O; C[CH]1O[CH](C
    C(O)=O)[CH](O)[CH](O)[CH]1O; C[C@H]1[C@H
    ]([C@H]([C@@H]([C@@H](O1)CC(=O)O)O)O)O    		 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid
    43741
    ZDF
    ZINC000011817504    		 1 C22 H29 N5 O InChI=1S/C22H29N5O/c1-3-2
    6(15-16-27-14-6-13-23-27)
    17-20-24-21(25-28-20)22(1
    1-4-5-12-22)19-9-7-18(2)8
    -10-19/h6-10,13-14H,3-5,1
    1-12,15-17H2,1-2H3;
    CIGIIVQVOWUOHH-UHFFFAOYSA-N    		 CCN(CCn1cccn1)Cc2onc(n2)C3(CCCC3)c4ccc(C
    )cc4; Cc1ccc(cc1)C1(CCCC1)c1nc(CN(CC)CCn
    2cccn2)on1; CCN(CCn1cccn1)Cc2nc(no2)C3(C
    CCC3)c4ccc(cc4)C    		 N-ethyl-N-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(1H-pyrazol-1-yl)ethan-1-amine
    43742
    ZDG
    CHEMBL5267903
    ZINC000114342050    		 1 C26 H25 Cl2 N5 O4 InChI=1S/C26H25Cl2N5O4/c1
    -18-24(26(34)30-31-14-4-2
    -5-15-31)29-32(23-13-12-2
    1(27)17-22(23)28)25(18)20
    -10-8-19(9-11-20)7-3-6-16
    -37-33(35)36/h8-13,17H,2,
    4-6,14-16H2,1H3,(H,30,34);
    KXXKUWQMQUYUSE-UHFFFAOYSA-N    		 Cc1c(nn(c2ccc(Cl)cc2Cl)c1c3ccc(cc3)C#CCC
    O[N+]([O-])=O)C(=O)NN4CCCCC4; Cc1c(n(nc1
    C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)
    C#CCCO[N+](=O)[O-]    		 4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate
    43743
    ZDJ
    CHEMBL3808433
    ZINC000001713866    		 0 C10 H13 N O3 InChI=1S/C10H13NO3/c1-6-4
    -7(2-3-9(6)12)5-8(11)10(1
    3)14/h2-4,8,12H,5,11H2,1H
    3,(H,13,14)/t8-/m0/s1;
    MQHLULPKDLJASZ-QMMMGPOBSA-N    		 Cc1cc(CC(N)C(=O)O)ccc1O; Cc1cc(ccc1O)CC(
    C(=O)O)N; Cc1cc(ccc1O)C[C@@H](C(=O)O)N;
    Cc1cc(C[CH](N)C(O)=O)ccc1O; Cc1cc(C[C@H]
    (N)C(O)=O)ccc1O    		 3-methyl-L-tyrosine
    43744
    ZDK    		 1 C23 H27 N3 O2 InChI=1S/C23H27N3O2/c1-27
    -17-18-12-14-26(15-13-18)
    16-21-24-23(25-28-21)22(1
    9-8-4-2-5-9-19)20-10-6-3-
    7-11-20/h2-11,18,22H,12-1
    7H2,1H3;
    XYPQCOBQQQTCFN-UHFFFAOYSA-N    		 COCC1CCN(CC1)Cc1nc(no1)C(c1ccccc1)c1cccc
    c1; COCC1CCN(CC1)Cc2nc(no2)C(c3ccccc3)c4
    ccccc4; COCC1CCN(CC1)Cc2onc(n2)C(c3ccccc
    3)c4ccccc4    		 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine
    43745
    ZDL    		 1 C5 H12 N2 InChI=1S/C5H12N2/c1-6-3-4
    -7(2)5-6/h3-5H2,1-2H3;
    SMWUDAKKCDQTPV-UHFFFAOYSA-N    		 CN1CCN(C1)C; CN1CCN(C)C1 1,3-dimethylimidazolidine
    43746
    ZDM
    CHEMBL1738948
    ZINC000066157001    		 9 C21 H40 O11 InChI=1S/C21H40O11/c1-2-3
    -4-5-6-7-8-9-29-20-18(28)
    16(26)19(13(11-23)31-20)3
    2-21-17(27)15(25)14(24)12
    (10-22)30-21/h12-28H,2-11
    H2,1H3/t12-,13-,14-,15+,1
    6-,17-,18-,19-,20-,21-/m1
    /s1;
    KCCBGPCYGBPHBR-ZESVGKPKSA-N    		 CCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)
    CO)O)O)O)O)O; CCCCCCCCCO[CH]1O[CH](CO)[C
    H](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[
    CH](O)[CH]1O; CCCCCCCCCO[C@@H]1O[C@H](CO
    )[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](
    O)[C@H]2O)[C@H](O)[C@H]1O; O(CCCCCCCCC)C
    2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO; C
    CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H]
    (O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H]
    (O2)CO)O)O)O)O)O    		 nonyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside;
    nonyl-beta-D-maltoside
    43747
    ZDO    		 7 C7 H15 N O11 S2 InChI=1S/C7H15NO11S2/c1-1
    7-7-4(8-20(11,12)13)6(10)
    5(9)3(19-7)2-18-21(14,15)
    16/h3-10H,2H2,1H3,(H,11,1
    2,13)(H,14,15,16)/t3-,4-,
    5-,6-,7+/m1/s1;
    UWLKUQLVRABNAG-GKHCUFPYSA-N    		 COC1C(C(C(C(O1)COS(=O)(=O)O)O)O)NS(=O)(=
    O)O; O=S(=O)(O)OCC1OC(OC)C(NS(=O)(=O)O)C
    (O)C1O; CO[CH]1O[CH](CO[S](O)(=O)=O)[CH]
    (O)[CH](O)[CH]1N[S](O)(=O)=O; CO[C@H]1O[
    C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@
    H]1N[S](O)(=O)=O; CO[C@@H]1[C@@H]([C@H](
    [C@@H]([C@H](O1)COS(=O)(=O)O)O)O)NS(=O)(
    =O)O    		 methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside
    43748
    ZDP    		 7 C8 H16 N2 O4 InChI=1S/C8H16N2O4/c1-8(1
    0,7(13)14)4-2-3-5(9)6(11)
    12/h5H,2-4,9-10H2,1H3,(H,
    11,12)(H,13,14)/t5-,8-/m0
    /s1;
    TVZGBXIJPFGQBJ-XNCJUZBTSA-N    		 C[C@](CCC[C@@H](C(=O)O)N)(C(=O)O)N; C[C]
    (N)(CCC[CH](N)C(O)=O)C(O)=O; CC(CCCC(C(=
    O)O)N)(C(=O)O)N; C[C@](N)(CCC[C@H](N)C(O
    )=O)C(O)=O; O=C(O)C(N)(CCCC(N)C(=O)O)C    		 (2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID
    43749
    ZDR    		 7 C8 H16 N2 O4 InChI=1S/C8H16N2O4/c1-8(1
    0,7(13)14)4-2-3-5(9)6(11)
    12/h5H,2-4,9-10H2,1H3,(H,
    11,12)(H,13,14)/t5-,8+/m0
    /s1;
    TVZGBXIJPFGQBJ-YLWLKBPMSA-N    		 C[C](N)(CCC[CH](N)C(O)=O)C(O)=O; CC(CCCC
    (C(=O)O)N)(C(=O)O)N; C[C@@](N)(CCC[C@H](
    N)C(O)=O)C(O)=O; O=C(O)C(N)(CCCC(N)C(=O)
    O)C; C[C@@](CCC[C@@H](C(=O)O)N)(C(=O)O)N    		 (2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID
    43750
    ZDU
    ZINC000058649875    		 0 C12 H20 N3 O8 P InChI=1S/C12H20N3O8P/c13-
    3-1-2-7-5-15(12(18)14-11(
    7)17)10-4-8(16)9(23-10)6-
    22-24(19,20)21/h5,8-10,16
    H,1-4,6,13H2,(H,14,17,18)
    (H2,19,20,21)/t8-,9+,10+/
    m0/s1;
    DPQBGKUKUKNQCZ-IVZWLZJFSA-N    		 NCCCC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=
    O)O2)C(=O)NC1=O; O=C1NC(=O)N(C=C1CCCN)C2
    OC(C(O)C2)COP(=O)(O)O; C1[C@@H]([C@H](O[
    C@H]1N2C=C(C(=O)NC2=O)CCCN)COP(=O)(O)O)O
    ; C1C(C(OC1N2C=C(C(=O)NC2=O)CCCN)COP(=O)
    (O)O)O; NCCCC1=CN([C@H]2C[C@H](O)[C@@H](
    CO[P](O)(O)=O)O2)C(=O)NC1=O    		 5-(3-AMINOPROPYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
    43751
    ZDV
    CHEMBL12722
    ZINC000000152271    		 0 C7 H8 F N InChI=1S/C7H8FN/c8-7-3-1-
    2-6(4-7)5-9/h1-4H,5,9H2;
    QVSVMNXRLWSNGS-UHFFFAOYSA-N    		 c1cc(cc(c1)F)CN; NCc1cccc(F)c1; Fc1cc(cc
    c1)CN    		 1-(3-fluorophenyl)methanamine
    43752
    ZE0
    ZINC000102192298    		 35 C40 H56 O InChI=1S/C40H56O/c1-33(2)
    19-13-22-36(5)25-16-28-37
    (6)26-14-23-34(3)20-11-12
    -21-35(4)24-15-27-38(7)29
    -17-30-39(8)31-18-32-40(9
    ,10)41/h11-17,19-30,41H,1
    8,31-32H2,1-10H3/b12-11+,
    22-13+,23-14+,24-15+,28-1
    6+,29-17+,34-20+,35-21+,3
    6-25+,37-26+,38-27+,39-30
    +;
    SBVLKWMQRFTYPE-WRNKADOOSA-N    		 CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C
    /C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/CCCC(C
    )(C)O; OC(C)(C)CCCC(=C\C=C\C(=C\C=C\C(=C
    \C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\C=C(\C)C
    )C)C)C)C)C)\C; CC(=CC=CC(=CC=CC(=CC=CC(=
    CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)
    C)C)C)C; CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(=
    C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC
    CC(C)(C)O)/C)/C)/C)C; CC(C)=CC=CC(C)=CC=
    CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C
    (C)CCCC(C)(C)O    		 (3'E)-3',4'-didehydro-1,2-dihydro-psi,psi-caroten-1-ol
    43753
    ZE2
    ZINC000067490685    		 1 C17 H25 N O5 S InChI=1S/C17H25NO5S/c1-23
    -15-6-7-16(14-5-3-2-4-13(
    14)15)24(21,22)18-10-8-17
    (20,12-19)9-11-18/h6-7,19
    -20H,2-5,8-12H2,1H3;
    HMRYHSCJKFERQE-UHFFFAOYSA-N    		 COc1ccc(c2CCCCc12)[S](=O)(=O)N3CCC(O)(CO
    )CC3; OC1(CCN(CC1)S(=O)(=O)c1ccc(OC)c2CC
    CCc21)CO; COc1ccc(c2c1CCCC2)S(=O)(=O)N3C
    CC(CC3)(CO)O    		 4-(hydroxymethyl)-1-(4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonyl)piperidin-4-ol
    43754
    ZE7    		 4 C12 H24 O InChI=1S/C12H24O/c13-11-7
    -2-1-4-8-12-9-5-3-6-10-12
    /h12-13H,1-11H2;
    SRWKSFRBHIWJSD-UHFFFAOYSA-N    		 OCCCCCCC1CCCCC1; C1CCC(CC1)CCCCCCO 6-cyclohexylhexan-1-ol
    43755
    ZE8
    CHEMBL504567
    DB03068
    ZINC000006119090    		 1 C9 H12 N2 O5 InChI=1S/C9H12N2O5/c12-4-
    5-6(13)7(14)8(16-5)11-3-1
    -2-10-9(11)15/h1-3,5-8,12
    -14H,4H2/t5-,6-,7-,8-/m1/
    s1;
    RPQZTTQVRYEKCR-WCTZXXKLSA-N    		 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC=N
    C2=O; O=C1N=CC=CN1C2OC(C(O)C2O)CO; OC[CH
    ]1O[CH]([CH](O)[CH]1O)N2C=CC=NC2=O; C1=C
    N(C(=O)N=C1)C2C(C(C(O2)CO)O)O; C1=CN(C(=
    O)N=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O
    )O    		 Zebularine
    43756
    ZE9    		 2 C14 H16 N2 O3 InChI=1S/C14H16N2O3/c1-9-
    5-6-13(19-9)11-8-12(14-4-
    3-7-18-14)16(15-11)10(2)1
    7/h3-7,11-12,15H,8H2,1-2H
    3/t11-,12-/m1/s1;
    PRJVEKCLDLKKGJ-VXGBXAGGSA-N    		 CC(=O)N1N[C@H](C[C@@H]1c2occc2)c3oc(C)cc
    3; Cc1ccc(o1)C2CC(N(N2)C(=O)C)c3ccco3; C
    C(=O)N1NC(CC1c1ccco1)c1ccc(C)o1; Cc1ccc(
    o1)C2C[C@@H](N(N2)C(=O)C)c3ccco3; CC(=O)
    N1N[CH](C[CH]1c2occc2)c3oc(C)cc3    		 1-[(3R,5R)-5-(furan-2-yl)-3-(5-methylfuran-2-yl)pyrazolidin-1-yl]ethan-1-one
    43757
    ZEA
    CHEMBL525239
    DB11337
    ZINC000004492895    		 38 C10 H13 N5 O InChI=1S/C10H13N5O/c1-7(4
    -16)2-3-11-9-8-10(13-5-12
    -8)15-6-14-9/h2,5-6,16H,3
    -4H2,1H3,(H2,11,12,13,14,
    15)/b7-2+;
    UZKQTCBAMSWPJD-FARCUNLSSA-N    		 CC(=CCNc1c2c([nH]cn2)ncn1)CO; C/C(=C\CNc
    1c2c([nH]cn2)ncn1)/CO; CC(/CO)=C\CNc1ncn
    c2[nH]cnc12; CC(CO)=CCNc1ncnc2[nH]cnc12;
    n2c1c(ncn1)c(nc2)NC\C=C(/C)CO    		 (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol;
    TRANS-ZEATIN
    43758
    ZEB
    ZINC000005835192    		 1 C9 H14 N2 O6 InChI=1S/C9H14N2O6/c12-3-
    4-6(14)7(15)8(17-4)11-2-1
    -5(13)10-9(11)16/h1-2,4-8
    ,12-15H,3H2,(H,10,16)/t4-
    ,5-,6-,7-,8-/m1/s1;
    LUOTYVSEHPPZEM-FMDGEEDCSA-N    		 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C[C@
    @H](O)NC2=O; C1=CN(C(=O)NC1O)C2C(C(C(O2)
    CO)O)O; C1=CN(C(=O)N[C@@H]1O)C2[C@@H]([C
    @@H]([C@H](O2)CO)O)O; OC[CH]1O[CH]([CH](
    O)[CH]1O)N2C=C[CH](O)NC2=O; O=C1NC(O)C=C
    N1C2OC(C(O)C2O)CO    		 4-HYDROXY-3,4-DIHYDRO-ZEBULARINE
    43759
    ZEC
    CHEMBL6685
    DB08765    		 8 C7 H6 N2 O3 S2 InChI=1S/C7H6N2O3S2/c8-14
    (11,12)7-9-5-2-1-4(10)3-6
    (5)13-7/h1-3,10H,(H2,8,11
    ,12);
    NOOBQTYVTDBXTL-UHFFFAOYSA-N    		 c1cc2c(cc1O)sc(n2)S(=O)(=O)N; O=S(=O)(c1
    nc2ccc(O)cc2s1)N; N[S](=O)(=O)c1sc2cc(O)
    ccc2n1    		 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE
    43760
    ZED
    CHEMBL16332
    DB08766
    ZINC000003780852    		 1 C15 H19 N O3 S2 InChI=1S/C15H19NO3S2/c1-1
    0(9-20)14(17)16-8-12(7-13
    (16)15(18)19)21-11-5-3-2-
    4-6-11/h2-6,10,12-13,20H,
    7-9H2,1H3,(H,18,19)/t10-,
    12+,13+/m1/s1;
    UQWLOWFDKAFKAP-WXHSDQCUSA-N    		 C[CH](CS)C(=O)N1C[CH](C[CH]1C(O)=O)Sc2cc
    ccc2; O=C(N2C(C(=O)O)CC(Sc1ccccc1)C2)C(C
    )CS; CC(CS)C(=O)N1CC(CC1C(=O)O)Sc2ccccc2
    ; C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)
    Sc2ccccc2; C[C@H](CS)C(=O)N1C[C@H](C[C@H
    ]1C(O)=O)Sc2ccccc2    		 L-PROLINE, 1-[(2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)-, 4S;
    ZOFENOPRILAT
    43761
    ZEE
    ZINC000003581097    		 0 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3+,4+,5+,6-/m
    0/s1;
    WQZGKKKJIJFFOK-BSQWINAVSA-N    		 C(C1C(C(C(C(O1)O)O)O)O)O; C([C@H]1[C@H](
    [C@H]([C@H]([C@H](O1)O)O)O)O)O; OC[CH]1O
    [CH](O)[CH](O)[CH](O)[CH]1O; OC[C@@H]1O[
    C@H](O)[C@H](O)[C@H](O)[C@@H]1O; OC1C(O)
    C(OC(O)C1O)CO    		 beta-L-talopyranose;
    beta-L-talose;
    L-talose;
    talose;
    L-talopyranose
    43762
    ZEG
    ZINC000008225552    		 1 C19 H17 F N2 O3 S2 InChI=1S/C19H17FN2O3S2/c2
    0-16-5-1-15(2-6-16)19-21-
    18(13-26-19)14-3-7-17(8-4
    -14)27(23,24)22-9-11-25-1
    2-10-22/h1-8,13H,9-12H2;
    JYTYZKKXJTUPJO-UHFFFAOYSA-N    		 Fc1ccc(cc1)c2scc(n2)c3ccc(cc3)[S](=O)(=O
    )N4CCOCC4; c1cc(ccc1c2nc(cs2)c3ccc(cc3)S
    (=O)(=O)N4CCOCC4)F; O=S(=O)(N1CCOCC1)c1c
    cc(cc1)c1csc(n1)c1ccc(F)cc1    		 4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine
    43763
    ZEI
    CHEMBL122413
    ZINC000000009321    		 4 C16 H14 Cl N O2 InChI=1S/C16H14ClNO2/c1-2
    0-15-4-2-3-14(11-15)18-16
    (19)10-7-12-5-8-13(17)9-6
    -12/h2-11H,1H3,(H,18,19)/
    b10-7+;
    RYAMDQKWNKKFHD-JXMROGBWSA-N    		 COc1cccc(NC(=O)C=Cc2ccc(Cl)cc2)c1; Clc1c
    cc(/C=C/C(=O)Nc2cccc(OC)c2)cc1; COc1cccc
    (c1)NC(=O)C=Cc2ccc(cc2)Cl; COc1cccc(NC(=
    O)/C=C/c2ccc(Cl)cc2)c1; COc1cccc(c1)NC(=
    O)/C=C/c2ccc(cc2)Cl    		 (2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide;
    SB-366791
    43764
    ZEK
    ZINC000013630571    		 1 C10 H12 N2 O2 InChI=1S/C10H12N2O2/c1-7(
    13)12-9-5-3-4-8(6-9)10(14
    )11-2/h3-6H,1-2H3,(H,11,1
    4)(H,12,13);
    FLRVBCQOMWVNPY-UHFFFAOYSA-N    		 O=C(C)Nc1cc(ccc1)C(=O)NC; CNC(=O)c1cccc(
    NC(C)=O)c1; CC(=O)Nc1cccc(c1)C(=O)NC    		 3-acetamido-N-methylbenzamide
    43765
    ZEL
    ZINC000012358689    		 4 C7 H14 O6 InChI=1S/C7H14O6/c1-12-7-
    6(11)5(10)4(9)3(2-8)13-7/
    h3-11H,2H2,1H3/t3-,4-,5-,
    6+,7-/m1/s1;
    HOVAGTYPODGVJG-BNWJMWRWSA-N    		 CO[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)
    O)O)O; OC1C(O)C(O)C(OC1OC)CO; CO[C@@H]1O
    [C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O; CO[
    CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O; COC1C
    (C(C(C(O1)CO)O)O)O    		 methyl beta-D-altropyranoside
    43766
    ZEM    		 1 C34 H32 N4 O5 Zn InChI=1S/C34H34N4O5.Zn/c1
    -7-20-16(3)24-14-27-21(8-
    2)18(5)32(37-27)34(43)33-
    19(6)23(10-12-31(41)42)29
    (38-33)15-28-22(9-11-30(3
    9)40)17(4)25(36-28)13-26(
    20)35-24;/h7-8,13-15H,1-2
    ,9-12H2,3-6H3,(H5,35,36,3
    7,38,39,40,41,42,43);/q;+
    2/p-2/b24-14-,25-13-,26-1
    3-,27-14-,28-15-,29-15-,3
    4-32+,34-33+;;
    GKGQUBKNYNPVCL-GYHFSKQYSA-L    		 CC1=C(CCC(O)=O)C2=Cc3n4[Zn][N@]5C(=CC6=N
    C(=C(O)c4c(C)c3CCC(O)=O)C(=C6C=C)C)C(=C(
    C=C)C5=CC1=N2)C; Cc1c(c2n3c1C(=C4C(=C(C5
    =[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C
    )C(=C(C7=C2)CCC(=O)O)C)C=C)C)O)CCC(=O)O;
    CC1=C(CCC(O)=O)C2=Cc3n4[Zn][N]5C(=CC6=N
    C(=C(O)c4c(C)c3CCC(O)=O)C(=C6C=C)C)C(=C(
    C=C)C5=CC1=N2)C    		 20-OXO-PROTOPORPHYRIN IX CONTAINING ZN(II);
    ZN(II)-(20-OXO-PROTOPORPHYRIN IX)
    43767
    ZEN
    CHEMBL270527
    DB01836
    ZINC000003581069    		 5 C25 H27 Cl N4 O3 S InChI=1S/C25H27ClN4O3S/c2
    6-22-3-1-21-18-24(4-2-20(
    21)17-22)34(32,33)30-15-1
    3-29(14-16-30)25(31)19-7-
    11-28(12-8-19)23-5-9-27-1
    0-6-23/h1-6,9-10,17-19H,7
    -8,11-16H2;
    ZLAKCKVFSRSENR-UHFFFAOYSA-N    		 Clc2ccc1cc(ccc1c2)S(=O)(=O)N5CCN(C(=O)C4
    CCN(c3ccncc3)CC4)CC5; c1cc(cc2c1cc(cc2)C
    l)S(=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)c5cc
    ncc5; Clc1ccc2cc(ccc2c1)[S](=O)(=O)N3CCN
    (CC3)C(=O)C4CCN(CC4)c5ccncc5    		 [4-(6-CHLORO-NAPHTHALENE-2-SULFONYL)-PIPERAZIN-1-YL]- (3,4,5,6-TETRAHYDRO-2H-[1,4']BIPYRIDINYL-4-YL)- METHANONE
    43768
    ZEP    		 1 C20 H21 F N2 O2 S2 InChI=1S/C20H21FN2O2S2/c1
    -3-23(4-2)27(24,25)17-11-
    9-15(10-12-17)19-14-26-20
    (22-19)13-16-7-5-6-8-18(1
    6)21/h5-12,14H,3-4,13H2,1
    -2H3;
    PZNJPNGENGJLBG-UHFFFAOYSA-N    		 CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(n2)Cc3cc
    ccc3F; CCN(CC)S(=O)(=O)c1ccc(cc1)c1csc(C
    c2ccccc2F)n1; CCN(CC)[S](=O)(=O)c1ccc(cc
    1)c2csc(Cc3ccccc3F)n2    		 N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide
    43769
    ZER
    CHEMBL454173
    ZINC000003881412    		 20 C18 H22 O5 InChI=1S/C18H22O5/c1-12-6
    -5-9-14(19)8-4-2-3-7-13-1
    0-15(20)11-16(21)17(13)18
    (22)23-12/h3,7,10-12,20-2
    1H,2,4-6,8-9H2,1H3/b7-3+/
    t12-/m0/s1;
    MBMQEIFVQACCCH-QBODLPLBSA-N    		 CC1CCCC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)O;
    O=C1OC(CCCC(=O)CCCC=Cc2cc(O)cc(O)c12)C;
    C[C@H]1CCCC(=O)CCC/C=C/c2cc(cc(c2C(=O)O1
    )O)O; C[C@H]1CCCC(=O)CCC\C=C\c2cc(O)cc(O
    )c2C(=O)O1; C[CH]1CCCC(=O)CCCC=Cc2cc(O)c
    c(O)c2C(=O)O1    		 (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione;
    Zearalenone
    43770
    ZES
    CHEMBL10413
    DB02132
    ZINC000000596737    		 1 C17 H11 Br Cl F N2 O4 InChI=1S/C17H11BrClFN2O4/
    c18-10-2-1-9(13(20)5-10)7
    -22-16(25)12-4-3-11(19)6-
    14(12)21(17(22)26)8-15(23
    )24/h1-6H,7-8H2,(H,23,24);
    SXONDGSPUVNZLO-UHFFFAOYSA-N    		 OC(=O)CN1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c3cc
    c(Cl)cc13; c1cc2c(cc1Cl)N(C(=O)N(C2=O)Cc
    3ccc(cc3F)Br)CC(=O)O; Brc1ccc(c(F)c1)CN3
    C(=O)c2c(cc(Cl)cc2)N(C3=O)CC(=O)O    		 [3-(4-BROMO-2-FLUORO-BENZYL)-7-CHLORO-2,4-DIOXO-3,4-DIHYDRO-2H-QUINAZOLIN-1-YL]-ACETIC ACID
    43771
    ZEU
    ZINC000002569273    		 0 C9 H18 O3 InChI=1S/C9H18O3/c10-8-6-
    4-2-1-3-5-7-9(11)12/h10H,
    1-8H2,(H,11,12);
    AFZMICRBFKZNIH-UHFFFAOYSA-N    		 O=C(O)CCCCCCCCO; C(CCCCO)CCCC(=O)O; OCCC
    CCCCCC(O)=O    		 9-hydroxynonanoic acid
    43772
    ZEV    		 1 C20 H20 F2 N10 O9 P2 S2 InChI=1S/C20H22F2N10O9P2S
    2/c21-8-6-1-36-42(34,44)4
    0-12-7(39-18(9(12)22)31-4
    -27-10-14(23)25-3-26-15(1
    0)31)2-37-43(35,45)41-13(
    8)19(38-6)32-5-28-11-16(3
    2)29-20(24)30-17(11)33/h3
    -9,12-13,18-19H,1-2H2,(H,
    34,44)(H,35,45)(H2,23,25,
    26)(H3,24,29,30,33)/p-2/t
    6-,7-,8-,9+,12-,13-,18-,1
    9-,42-,43-/m1/s1;
    YSUIQYOGTINQIN-CLMXYZJCSA-L    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@@H]4CO[P
    @@]([O-])(=S)O[C@H]5[C@H](F)[C@@H](O[C@@
    H]5CO[P@@]([O-])(=S)O[C@@H]3[C@@H]4F)n6c
    nc7c(N)ncnc67; c1nc(c2c(n1)n(cn2)[C@H]3[
    C@H]([C@H]4[C@H](O3)CO[P@@](=S)(O[C@@H]5
    [C@@H]([C@@H](CO[P@@](=S)(O4)[O-])O[C@H]
    5n6cnc7c6N=C(NC7=O)N)F)[O-])F)N; c1nc(c2
    c(n1)n(cn2)C3C(C4C(O3)COP(=S)(OC5C(C(COP
    (=S)(O4)[O-])OC5n6cnc7c6N=C(NC7=O)N)F)[O
    -])F)N; NC1=Nc2c(ncn2C2OC3COP([O-])(=S)O
    C4C(F)C(OC4COP([O-])(=S)OC2C3F)n2cnc3c(N
    )ncnc32)C(=O)N1; NC1=Nc2n(cnc2C(=O)N1)[C
    H]3O[CH]4CO[P]([O-])(=S)O[CH]5[CH](F)[CH
    ](O[CH]5CO[P]([O-])(=S)O[CH]3[CH]4F)n6cn
    c7c(N)ncnc67    		 (2R,5R,7R,8S,10R,12aR,14R,15S,15aR,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-difluoro-2,10-bis(sulfanyl)octahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
    43773
    ZEX    		 191 C40 H56 O2 InChI=1S/C40H56O2/c1-29(1
    7-13-19-31(3)21-23-35-25-
    34(6)38(42)28-39(35,7)8)1
    5-11-12-16-30(2)18-14-20-
    32(4)22-24-37-33(5)26-36(
    41)27-40(37,9)10/h11-25,3
    4,36,38,41-42H,26-28H2,1-
    10H3/b12-11+,17-13+,18-14
    +,23-21+,24-22+,29-15+,30
    -16+,31-19+,32-20+/t34-,3
    6-,38+/m0/s1;
    YRMDXLDAZBQLBK-WIHRHFSMSA-N    		 C[CH]1C=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=C
    C=C(C)C=CC2=C(C)C[CH](O)CC2(C)C)C(C)(C)C
    [CH]1O; CC1C=C(C(CC1O)(C)C)C=CC(=C\C=C\C
    (=CC=CC=C(C)C=C\C=C(/C)\C=CC2=C(C[C@@H](
    CC2(C)C)O)C)C)C; OC2CC(=C(\C=C\C(=C\C=C\
    C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=CC(C)C(O)C
    C1(C)C)C)C)C)C)C(C)(C)C2)C; CC1C=C(C(CC1
    O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C
    =CC2=C(CC(CC2(C)C)O)C)C)C; C[C@H]1C=C(/C
    =C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(
    C)/C=C/C2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C[
    C@H]1O    		 (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol
    43774
    ZEZ
    ZINC000013523718    		 2 C10 H13 N5 O InChI=1S/C10H13N5O/c1-7(4
    -16)2-3-11-9-8-10(13-5-12
    -8)15-6-14-9/h2,5-6,16H,3
    -4H2,1H3,(H2,11,12,13,14,
    15)/b7-2-;
    UZKQTCBAMSWPJD-UQCOIBPSSA-N    		 CC(=CCNc1c2c([nH]cn2)ncn1)CO; n2c1c(ncn1
    )c(nc2)NC/C=C(/C)CO; CC(CO)=CCNc1ncnc2[n
    H]cnc12; C\C(CO)=C\CNc1ncnc2[nH]cnc12; C
    /C(=C/CNc1c2c([nH]cn2)ncn1)/CO    		 (2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol;
    CIS-ZEATIN
    43775
    ZF0
    CHEMBL274573
    ZINC000002015949    		 0 C8 H11 N InChI=1S/C8H11N/c1-7-3-2-
    4-8(5-7)6-9/h2-5H,6,9H2,1
    H3;
    RGXUCUWVGKLACF-UHFFFAOYSA-N    		 Cc1cccc(c1)CN; NCc1cccc(c1)C; Cc1cccc(CN
    )c1    		 1-(3-methylphenyl)methanamine
    43776
    ZF1
    CHEMBL8145
    DB13182
    ZINC000018847034    		 4 C15 H10 O4 InChI=1S/C15H10O4/c16-10-
    3-1-9(2-4-10)13-8-19-14-7
    -11(17)5-6-12(14)15(13)18
    /h1-8,16-17H;
    ZQSIJRDFPHDXIC-UHFFFAOYSA-N    		 c1cc(ccc1C2=COc3cc(ccc3C2=O)O)O; O=C1c3c
    (OC=C1c2ccc(O)cc2)cc(O)cc3; Oc1ccc(cc1)C
    2=COc3cc(O)ccc3C2=O    		 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
    43777
    ZF7    		 1 C28 H31 F6 N O3 InChI=1S/C28H31F6NO3/c1-1
    5(35-20-7-8-21(35)13-18(1
    2-20)26(36)37)17-3-2-16-4
    -11-24(25(23(16)14-17)28(
    32,33)34)38-22-9-5-19(6-1
    0-22)27(29,30)31/h2-4,11,
    14-15,18-22H,5-10,12-13H2
    ,1H3,(H,36,37)/t15-,18-,1
    9-,20+,21-,22+/m0/s1;
    PZASAAIJIFDWSB-CUWQMCGTSA-N    		 CC(c1ccc2ccc(c(c2c1)C(F)(F)F)OC3CCC(CC3)
    C(F)(F)F)N4C5CCC4CC(C5)C(=O)O; C[C@H](N1
    [C@@H]2CC[C@H]1C[C@H](C2)C(O)=O)c3ccc4cc
    c(O[C@@H]5CC[C@@H](CC5)C(F)(F)F)c(c4c3)C
    (F)(F)F; FC(F)(F)C1CCC(CC1)Oc1ccc2ccc(cc
    2c1C(F)(F)F)C(C)N1C2CC(CC1CC2)C(=O)O; C[
    C@@H](c1ccc2ccc(c(c2c1)C(F)(F)F)OC3CCC(C
    C3)C(F)(F)F)N4[C@@H]5CC[C@H]4CC(C5)C(=O)
    O; C[CH](N1[CH]2CC[CH]1C[CH](C2)C(O)=O)c
    3ccc4ccc(O[CH]5CC[CH](CC5)C(F)(F)F)c(c4c
    3)C(F)(F)F    		 (1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid;
    BIO-32546
    43778
    ZF9    		 4 C10 H19 N5 O22 P6 InChI=1S/C10H19N5O22P6/c1
    1-8-5-9(13-2-12-8)15(3-14
    -5)10-7(17)6(16)4(32-10)1
    -31-39(21,22)34-41(25,26)
    36-43(29,30)37-42(27,28)3
    5-40(23,24)33-38(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)(H2,11
    ,12,13)(H2,18,19,20)/t4-,
    6-,7-,10-/m1/s1;
    MCJDQUICRUJHMC-KQYNXXCUSA-N    		 O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=
    O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(
    O)C1O; 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)[CH](O)[CH]3O; 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)[C@@H](O)[C@H]3O; c1nc(
    c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)
    (O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
    )O)O)N; c1nc(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)O)O)O)N    		 adenosine 5'-hexaphosphate
    43779
    ZFB
    DB02766
    ZINC000103562579    		 4 C18 H18 N3 O3 InChI=1S/C18H17N3O3/c19-2
    0-12-17(22)16(11-14-7-3-1
    -4-8-14)21-18(23)24-13-15
    -9-5-2-6-10-15/h1-10,16H,
    11-13H2/p+1/t16-/m1/s1;
    VLIGBVLLNSWVMI-MRXNPFEDSA-O    		 c1ccc(cc1)CC(C(=O)C[N+]#N)NC(=O)OCc2cccc
    c2; N#[N+]CC(=O)C(NC(=O)OCc1ccccc1)Cc2cc
    ccc2; O=C(N[C@H](Cc1ccccc1)C(=O)C[N+]#N)
    OCc2ccccc2; O=C(N[CH](Cc1ccccc1)C(=O)C[N
    +]#N)OCc2ccccc2; c1ccc(cc1)C[C@H](C(=O)C
    [N+]#N)NC(=O)OCc2ccccc2    		 (3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}-2-OXO-4-PHENYLBUTANE-1-DIAZONIUM
    43780
    ZFC
    CHEMBL444525
    ZINC000001596062    		 10 C11 H24 O InChI=1S/C11H24O/c1-2-3-4
    -5-6-7-8-9-10-11-12/h12H,
    2-11H2,1H3;
    KJIOQYGWTQBHNH-UHFFFAOYSA-N    		 OCCCCCCCCCCC; CCCCCCCCCCCO undecan-1-ol
    43781
    ZFG    		 4 C16 H19 N S InChI=1S/C16H19NS/c1-5-12
    (2)15-10-11-16(18-15)13-6
    -8-14(9-7-13)17(3)4/h5-11
    H,1-4H3/b12-5+;
    AMMZMSCAYJQWSM-LFYBBSHMSA-N    		 C\C=C(/C)c1sc(cc1)c2ccc(cc2)N(C)C; CC=C(
    C)c1ccc(s1)c2ccc(cc2)N(C)C; C/C=C(\C)/c1
    ccc(s1)c2ccc(cc2)N(C)C; C/C(=C\C)c1ccc(s
    1)c1ccc(cc1)N(C)C; CC=C(C)c1sc(cc1)c2ccc
    (cc2)N(C)C    		 4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline
    43782
    ZFI
    ZINC000000346135    		 2 C9 H11 N O3 S InChI=1S/C9H11NO3S/c1-7(1
    1)10-8-5-3-4-6-9(8)14(2,1
    2)13/h3-6H,1-2H3,(H,10,11
    );
    NGWCPCSZLLJKPD-UHFFFAOYSA-N    		 CC(=O)Nc1ccccc1S(=O)(=O)C; CC(=O)Nc1cccc
    c1[S](C)(=O)=O; O=S(C)(=O)c1ccccc1NC(C)=
    O    		 N-[2-(methanesulfonyl)phenyl]acetamide
    43783
    ZFJ    		 4 C22 H27 N InChI=1S/C22H27N/c1-6-9-1
    6-10-12-18-19-13-11-17(23
    (7-2)8-3)15-21(19)22(4,5)
    20(18)14-16/h6,9-15H,7-8H
    2,1-5H3/b9-6+;
    UMARKYXLRJLTSK-RMKNXTFCSA-N    		 CCN(CC)c1ccc2c3ccc(C=CC)cc3C(C)(C)c2c1;
    CCN(CC)c1ccc2c3ccc(\C=C\C)cc3C(C)(C)c2c1
    ; CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)C=CC)(
    C)C; CCN(CC)c1ccc2c3ccc(cc3C(C)(C)c2c1)\
    C=C\C; CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)/
    C=C/C)(C)C    		 (4aP)-N,N-diethyl-9,9-dimethyl-7-[(1E)-prop-1-en-1-yl]-9H-fluoren-2-amine
    43784
    ZFP    		 3 C17 H19 N S InChI=1S/C17H19NS/c1-3-13
    (2)16-9-10-17(19-16)14-5-
    7-15(8-6-14)18-11-4-12-18
    /h3,5-10H,4,11-12H2,1-2H3
    /b13-3+;
    UJDWZSVKXHLFTM-QLKAYGNNSA-N    		 C/C=C(\C)/c1ccc(s1)c2ccc(cc2)N3CCC3; CC=
    C(C)c1sc(cc1)c2ccc(cc2)N3CCC3; CC=C(C)c1
    ccc(s1)c2ccc(cc2)N3CCC3; C/C=C(C)/c1sc(c
    c1)c2ccc(cc2)N3CCC3; C/C(=C\C)c1ccc(s1)c
    1ccc(cc1)N1CCC1    		 1-(4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine
    43785
    ZFR
    ZINC000584905723    		 6 C17 H24 O4 InChI=1S/C17H24O4/c1-13(1
    8)6-5-9-15(19)8-4-2-3-7-1
    4-10-16(20)12-17(21)11-14
    /h3,7,10-13,18,20-21H,2,4
    -6,8-9H2,1H3/b7-3+/t13-/m
    0/s1;
    TVXRLKRGDWQGQV-MXPWBENCSA-N    		 C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1)O)O)O
    ; C[C@H](O)CCCC(=O)CCC\C=C\c1cc(O)cc(O)c
    1; CC(CCCC(=O)CCCC=Cc1cc(cc(c1)O)O)O; C[
    CH](O)CCCC(=O)CCCC=Cc1cc(O)cc(O)c1; c1c(
    O)cc(cc1\C=C\CCCC(=O)CCCC(O)C)O    		 (1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one
    43786
    ZFS
    CHEMBL1992306
    ZINC000063298382    		 4 C21 H17 F3 N4 O3 InChI=1S/C21H17F3N4O3/c1-
    25-19(29)18-12-17(9-10-26
    -18)31-16-7-5-14(6-8-16)2
    7-20(30)28-15-4-2-3-13(11
    -15)21(22,23)24/h2-12H,1H
    3,(H,25,29)(H2,27,28,30);
    WFTZMAAMCVPJJT-UHFFFAOYSA-N    		 CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc
    c(c3)C(F)(F)F; CNC(=O)c1cc(Oc2ccc(NC(=O)
    Nc3cccc(c3)C(F)(F)F)cc2)ccn1; O=C(NC)c1c
    c(Oc2ccc(NC(=O)Nc3cc(ccc3)C(F)(F)F)cc2)c
    cn1    		 N-methyl-4-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]pyridine-2-carboxamide
    43787
    ZFW    		 1 C25 H34 Cl N5 O7 InChI=1S/C25H34ClN5O7/c1-
    11(2)37-17-9-14(12(3)8-16
    (17)29-25-28-10-15(26)22(
    27)30-25)13-4-6-31(7-5-13
    )23-20(34)18(32)19(33)21(
    38-23)24(35)36/h8-11,13,1
    8-21,23,32-34H,4-7H2,1-3H
    3,(H,35,36)(H3,27,28,29,3
    0)/t18-,19-,20+,21-,23+/m
    0/s1;
    SFTKCGCNKCPXPY-KHYDEXNFSA-N    		 CC(C)Oc1cc(c(C)cc1Nc1nc(N)c(Cl)cn1)C1CCN
    (CC1)C1OC(C(O)C(O)C1O)C(=O)O; Cc1cc(c(cc
    1C2CCN(CC2)C3C(C(C(C(O3)C(=O)O)O)O)O)OC(
    C)C)Nc4ncc(c(n4)N)Cl; Cc1cc(c(cc1C2CCN(C
    C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(
    =O)O)O)O)O)OC(C)C)Nc4ncc(c(n4)N)Cl; CC(C
    )Oc1cc(C2CCN(CC2)[CH]3O[CH]([CH](O)[CH](
    O)[CH]3O)C(O)=O)c(C)cc1Nc4ncc(Cl)c(N)n4;
    CC(C)Oc1cc(C2CCN(CC2)[C@@H]3O[C@@H]([C@
    @H](O)[C@H](O)[C@H]3O)C(O)=O)c(C)cc1Nc4n
    cc(Cl)c(N)n4    		 4-amino-5-chloro-2-{4-(1-beta-D-glucopyranuronosylpiperidin-4-yl)-5-methyl-2-[(propan-2-yl)oxy]anilino}pyrimidine
    43788
    ZFY
    CHEMBL5283284    		 8 C20 H19 F3 N6 O3 S2 InChI=1S/C20H19F3N6O3S2/c
    1-19(2,15-10-33-18(27-15)
    29-34(31,32)12-4-5-12)17(
    30)28-16-6-3-11(7-25-16)1
    3-8-24-9-14(26-13)20(21,2
    2)23/h3,6-10,12H,4-5H2,1-
    2H3,(H,27,29)(H,25,28,30);
    CZIDGRDZSFIUHX-UHFFFAOYSA-N    		 O=S(=O)(Nc1nc(cs1)C(C)(C)C(=O)Nc1ccc(cn1
    )c1cncc(n1)C(F)(F)F)C1CC1; CC(C)(c1csc(n
    1)NS(=O)(=O)C2CC2)C(=O)Nc3ccc(cn3)c4cncc
    (n4)C(F)(F)F; CC(C)(C(=O)Nc1ccc(cn1)c2cn
    cc(n2)C(F)(F)F)c3csc(N[S](=O)(=O)C4CC4)n
    3    		 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide
    43789
    ZG0
    CHEMBL1528164
    ZINC000000153024    		 1 C9 H11 N O InChI=1S/C9H11NO/c1-7-4-3
    -5-9(6-7)10-8(2)11/h3-6H,
    1-2H3,(H,10,11);
    ALMHSXDYCFOZQD-UHFFFAOYSA-N    		 CC(=O)Nc1cccc(C)c1; Cc1cccc(c1)NC(=O)C;
    O=C(C)Nc1cc(C)ccc1    		 N-(3-methylphenyl)acetamide
    43790
    ZG1
    ZINC000038906537    		 1 C21 H27 N7 O3 InChI=1S/C21H27N7O3/c1-2-
    28-20-15(13-23-28)19(24-1
    4-5-9-30-10-6-14)16(12-22
    -20)21-25-17(26-31-21)11-
    18(29)27-7-3-4-8-27/h12-1
    4H,2-11H2,1H3,(H,22,24);
    WVSSDMGQAQMULY-UHFFFAOYSA-N    		 CCn1c2c(cn1)c(c(cn2)c3nc(no3)CC(=O)N4CCC
    C4)NC5CCOCC5; CCn1ncc2c(NC3CCOCC3)c(cnc1
    2)c4onc(CC(=O)N5CCCC5)n4; O=C(N1CCCC1)Cc
    2nc(on2)c4c(NC3CCOCC3)c5cnn(c5nc4)CC    		 1-ethyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine
    43791
    ZG2
    ZINC000098209663    		 1 C29 H34 N6 O3 InChI=1S/C29H34N6O3/c1-2-
    35-28-22(19-31-35)27(32-2
    1-10-14-37-15-11-21)23(18
    -30-28)29-33-24(17-26(36)
    34-12-6-7-13-34)25(38-29)
    16-20-8-4-3-5-9-20/h3-5,8
    -9,18-19,21H,2,6-7,10-17H
    2,1H3,(H,30,32);
    XOLUUYCIKUMYDW-UHFFFAOYSA-N    		 O=C(N1CCCC1)Cc2nc(oc2Cc3ccccc3)c4c(c5c(n
    c4)n(nc5)CC)NC6CCOCC6; CCn1c2c(cn1)c(c(c
    n2)c3nc(c(o3)Cc4ccccc4)CC(=O)N5CCCC5)NC6
    CCOCC6; CCn1ncc2c(NC3CCOCC3)c(cnc12)c4oc
    (Cc5ccccc5)c(CC(=O)N6CCCC6)n4    		 5-[5-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazol-2-yl]-1-ethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine
    43792
    ZG4    		 20 C21 H22 N6 O4 S2 InChI=1S/C21H22N6O4S2/c1-
    2-31-18-11-22-10-16(24-18
    )13-3-6-15(23-9-13)19(28)
    26-21(7-8-21)17-12-32-20(
    25-17)27-33(29,30)14-4-5-
    14/h3,6,9-12,14H,2,4-5,7-
    8H2,1H3,(H,25,27)(H,26,28
    );
    VIXAYXSBOOBUNP-UHFFFAOYSA-N    		 CCOc1cncc(n1)c2ccc(nc2)C(=O)NC3(CC3)c4cs
    c(n4)NS(=O)(=O)C5CC5; CCOc1cncc(n1)c2ccc
    (nc2)C(=O)NC3(CC3)c4csc(N[S](=O)(=O)C5CC
    5)n4; O=S(=O)(Nc1nc(cs1)C1(NC(=O)c2ccc(c
    n2)c2cncc(OCC)n2)CC1)C1CC1    		 N-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
    43793
    ZG5    		 2 C23 H25 N3 O6 S InChI=1S/C23H25N3O6S/c27-
    17-18(28)20(23(30)31)32-2
    2(19(17)29)26-11-9-25(10-
    12-26)21-13-5-1-3-7-15(13
    )33-16-8-4-2-6-14(16)24-2
    1/h1-8,17-20,22,27-29H,9-
    12H2,(H,30,31)/t17-,18-,1
    9+,20-,22+/m0/s1;
    UKCFGNFADWVWOZ-SXFAUFNYSA-N    		 c1ccc2c(c1)C(=Nc3ccccc3S2)N4CCN(CC4)[C@H
    ]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)
    O)O; c1ccc2c(c1)C(=Nc3ccccc3S2)N4CCN(CC4
    )C5C(C(C(C(O5)C(=O)O)O)O)O; O=C(O)C1OC(C
    (O)C(O)C1O)N1CCN(CC1)C1=Nc2ccccc2Sc2cccc
    c21; O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)
    =O)N2CCN(CC2)C3=Nc4ccccc4Sc5ccccc35; O[C
    @@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O
    )=O)N2CCN(CC2)C3=Nc4ccccc4Sc5ccccc35    		 11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine
    43794
    ZG6
    ZINC000000160835    		 1 C6 H8 N2 O2 InChI=1S/C6H8N2O2/c1-4-3-
    6(10-8-4)7-5(2)9/h3H,1-2H
    3,(H,7,9);
    UYQNAXVUQCFHSN-UHFFFAOYSA-N    		 CC(=O)Nc1onc(C)c1; Cc1cc(on1)NC(=O)C; O=
    C(C)Nc1cc(C)no1    		 N-(3-methyl-1,2-oxazol-5-yl)acetamide
    43795
    ZG7    		 4 C22 H14 Br Cl N4 O2 InChI=1S/C22H14BrClN4O2/c
    23-14-2-1-3-16(10-14)30-1
    8-12-26-20-17(11-25)19(27
    -28(20)21(18)29)22(8-9-22
    )13-4-6-15(24)7-5-13/h1-7
    ,10,12,29H,8-9H2;
    HDYWNCYXIMKORK-UHFFFAOYSA-N    		 Clc1ccc(cc1)C1(CC1)c1nn2c(O)c(cnc2c1C#N)
    Oc1cccc(Br)c1; Oc1n2nc(c(C#N)c2ncc1Oc3cc
    cc(Br)c3)C4(CC4)c5ccc(Cl)cc5; c1cc(cc(c1
    )Br)Oc2cnc3c(c(nn3c2O)C4(CC4)c5ccc(cc5)C
    l)C#N    		 (8S)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile
    43796
    ZG9    		 1 C14 H25 N O8 InChI=1S/C14H25NO8/c1-8(1
    6)15-11-13(18)12(17)10(7-
    19-2)23-14(11)22-6-9-5-20
    -3-4-21-9/h9-14,17-18H,3-
    7H2,1-2H3,(H,15,16)/t9-,1
    0+,11+,12+,13+,14+/m0/s1;
    OSYFGNJAUIHPSL-YHBOFVJASA-N    		 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1
    OC[C@@H]2COCCO2)COC)O)O; COC[CH]1O[CH](O
    C[CH]2COCCO2)[CH](NC(C)=O)[CH](O)[CH]1O;
    CC(=O)NC1C(C(C(OC1OCC2COCCO2)COC)O)O; C
    OC[C@H]1O[C@@H](OC[C@@H]2COCCO2)[C@H](NC
    (C)=O)[C@@H](O)[C@@H]1O; CC(=O)NC1C(O)C(
    O)C(COC)OC1OCC1COCCO1    		 [(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-6-O-methyl-beta-D-glucopyranoside
    43797
    ZGA
    CHEMBL280978
    ZINC000034803452    		 8 C35 H46 O14 InChI=1S/C35H46O14/c1-7-1
    9(2)17-20(3)13-14-25(37)4
    7-28-27(38)33(48-29(30(39
    )40)34(45,31(41)42)35(28,
    49-33)32(43)44)16-15-21(4
    )26(46-23(6)36)22(5)18-24
    -11-9-8-10-12-24/h8-14,19
    -20,22,26-29,38,45H,4,7,1
    5-18H2,1-3,5-6H3,(H,39,40
    )(H,41,42)(H,43,44)/b14-1
    3+/t19-,20+,22+,26+,27+,2
    8+,29+,33-,34+,35-/m0/s1;
    DFKDOZMCHOGOBR-NCSQYGPNSA-N    		 CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@
    H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(
    C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)Cc3
    ccccc3)OC(=O)C)O; CC[C@H](C)C[C@H](C)/C=
    C/C(=O)O[C@@H]1[C@@H](O)[C@@]2(CCC(=C)[C
    @@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@H](C(
    O)=O)[C@@](O)(C(O)=O)[C@@]1(O2)C(O)=O; C
    C[CH](C)C[CH](C)C=CC(=O)O[CH]1[CH](O)[C]
    2(CCC(=C)[CH](OC(C)=O)[CH](C)Cc3ccccc3)O
    [CH](C(O)=O)[C](O)(C(O)=O)[C]1(O2)C(O)=O
    ; CCC(C)CC(C)C=CC(=O)OC1C(C2(OC(C(C1(O2)
    C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)C(C(C)Cc3
    ccccc3)OC(=O)C)O; O=C(O)C1(O)C(OC2(OC1(C
    (=O)O)C(OC(=O)/C=C/C(C)CC(C)CC)C2O)CCC(=
    C)\C(OC(=O)C)C(C)Cc3ccccc3)C(=O)O    		 Zaragozic acid A;
    (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-methyl-3-methylidene-6-phenylhexyl]-6-{[(2E,4S,6S)-4,6-dimethyloct-2-eno yl]oxy}-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
    43798
    ZGB
    ZINC000000402356    		 5 C11 H14 O3 InChI=1S/C11H14O3/c1-8-7-
    9(4-6-11(12)13)3-5-10(8)1
    4-2/h3,5,7H,4,6H2,1-2H3,(
    H,12,13);
    ZATPJYSLVGVGGY-UHFFFAOYSA-N    		 COc1ccc(CCC(O)=O)cc1C; Cc1cc(ccc1OC)CCC(
    =O)O; O=C(O)CCc1ccc(OC)c(c1)C    		 3-(4-methoxy-3-methylphenyl)propanoic acid
    43799
    ZGC
    CHEMBL1738950
    ZINC000000391192    		 1 C10 H12 O3 InChI=1S/C10H12O3/c1-13-9
    -5-2-8(3-6-9)4-7-10(11)12
    /h2-3,5-6H,4,7H2,1H3,(H,1
    1,12);
    FIUFLISGGHNPSM-UHFFFAOYSA-N    		 COc1ccc(cc1)CCC(=O)O; COc1ccc(CCC(O)=O)c
    c1; O=C(O)CCc1ccc(OC)cc1    		 3-(4-methoxyphenyl)propanoic acid
    43800
    ZGD
    CHEMBL4869303    		 4 C19 H14 Cl2 F3 N5 O2 InChI=1S/C19H14Cl2F3N5O2/
    c1-25-15-8-16(27-9-26-15)
    31-17-13(20)6-12(7-14(17)
    21)29-18(30)28-11-4-2-3-1
    0(5-11)19(22,23)24/h2-9H,
    1H3,(H,25,26,27)(H2,28,29
    ,30);
    QOQADIYOLOHRAW-UHFFFAOYSA-N    		 CNc1cc(ncn1)Oc2c(cc(cc2Cl)NC(=O)Nc3cccc(
    c3)C(F)(F)F)Cl; CNc1cc(Oc2c(Cl)cc(NC(=O)
    Nc3cccc(c3)C(F)(F)F)cc2Cl)ncn1; CNc1cc(O
    c2c(Cl)cc(NC(=O)Nc3cc(ccc3)C(F)(F)F)cc2C
    l)ncn1    		 N-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-N'-[3-(trifluoromethyl)phenyl]urea
    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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