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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
    44001
    ZN9    		 1 C3 H9 Br Pb InChI=1S/3CH3.BrH.Pb/h3*1
    H3;1H;/q;;;;+1/p-1;
    WJDCKJMILIJQRF-UHFFFAOYSA-M    		 C[Pb](C)(C)Br Trimethyllead bromide
    44002
    ZNA    		 2 C21 H28 N7 O13 P2 S InChI=1S/C21H27N7O13P2S/c
    22-17-12-19(25-7-24-17)28
    (8-26-12)20-15(31)13(29)1
    0(40-20)5-38-42(34,35)41-
    43(36,37)39-6-11-14(30)16
    (32)21(44-11)27-3-1-2-9(4
    -27)18(23)33/h1-4,7-8,10-
    11,13-16,20-21,29-32H,5-6
    H2,(H5-,22,23,24,25,33,34
    ,35,36,37)/p+1/t10-,11-,1
    3-,14-,15-,16-,20-,21-/m1
    /s1;
    YLEHCOOOOOOSDX-NNYOXOHSSA-O    		 NC(=O)c1ccc[n+](c1)[CH]2S[CH](CO[P](O)(=
    O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)
    n4cnc5c(N)ncnc45)[CH](O)[CH]2O; c1cc(c[n
    +](c1)[C@H]2[C@@H]([C@@H]([C@H](S2)COP(=
    O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H
    ](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N; Nc1n
    cnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2SC
    ([n+]3cc(ccc3)C(N)=O)C(O)C2O)C(O)C1O; NC
    (=O)c1ccc[n+](c1)[C@@H]2S[C@H](CO[P](O)(
    =O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@
    @H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O;
    c1cc(c[n+](c1)C2C(C(C(S2)COP(=O)(O)OP(=
    O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O
    )C(=O)N    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)thiolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
    44003
    ZNB    		 1 C22 H25 Br N14 O7 S InChI=1S/C22H25BrN14O7S/c
    23-21-33-9-15(24)28-4-30-
    17(9)36(21)19-13(41)11(39
    )6(43-19)1-27-8(38)3-45-2
    2-34-10-16(25)29-5-31-18(
    10)37(22)20-14(42)12(40)7
    (44-20)2-32-35-26/h4-7,11
    -14,19-20,39-42H,1-3H2,(H
    ,27,38)(H2,24,28,30)(H2,2
    5,29,31)/t6-,7-,11-,12-,1
    3-,14-,19-,20-/m1/s1;
    WFFKQQMGOXMIGR-ZOUOOXKVSA-N    		 c1nc(c2c(n1)n(c(n2)SCC(=O)NCC3C(C(C(O3)n
    4c5c(c(ncn5)N)nc4Br)O)O)C6C(C(C(O6)CN=[N
    +]=[N-])O)O)N; c1nc(c2c(n1)n(c(n2)SCC(=O
    )NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(
    ncn5)N)nc4Br)O)O)[C@H]6[C@@H]([C@@H]([C@
    H](O6)CN=[N+]=[N-])O)O)N; Nc1ncnc2n([CH]
    3O[CH](CNC(=O)CSc4nc5c(N)ncnc5n4[CH]6O[C
    H](CN=[N+]=[N-])[CH](O)[CH]6O)[CH](O)[CH
    ]3O)c(Br)nc12; Nc1ncnc2n([C@@H]3O[C@H](C
    NC(=O)CSc4nc5c(N)ncnc5n4[C@@H]6O[C@H](CN
    =[N+]=[N-])[C@@H](O)[C@H]6O)[C@@H](O)[C@
    H]3O)c(Br)nc12; OC1C(O)C(C\N=[N+]=[N-])O
    C1n1c2ncnc(N)c2nc1SCC(=O)NCC1OC(n2c(Br)n
    c3c(N)ncnc32)C(O)C1O    		 2-[6-azanyl-9-[(2R,3R,4S,5R)-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanyl-N-[[(2R,3S,4R,5R)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]ethanamide
    44004
    ZNC
    CHEMBL5274616    		 2 C21 H23 N3 InChI=1S/C21H23N3/c1-2-6-
    17(7-3-1)8-5-13-24-14-10-
    18(11-15-24)20-16-23-21-1
    9(20)9-4-12-22-21/h1-4,6-
    7,9-10,12,16H,5,8,11,13-1
    5H2,(H,22,23);
    IWLWNPOFKPUZCM-UHFFFAOYSA-N    		 C(CN1CCC(=CC1)c2c[nH]c3ncccc23)Cc4ccccc4
    ; c1ccc(cc1)CCCN2CCC(=CC2)c3c[nH]c4c3ccc
    n4; C(CCN1CC=C(CC1)c1c[NH]c2ncccc21)c1cc
    ccc1    		 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
    44005
    ZND    		 2 C30 H28 N4 O4 Zn InChI=1S/C30H30N4O4.Zn/c1
    -15-9-20-12-25-17(3)21(5-
    7-29(35)36)27(33-25)14-28
    -22(6-8-30(37)38)18(4)26(
    34-28)13-24-16(2)10-19(32
    -24)11-23(15)31-20;/h9-14
    H,5-8H2,1-4H3,(H4,31,32,3
    3,34,35,36,37,38);/q;+2/p
    -2/b19-11-,20-12-,23-11-,
    24-13-,25-12-,26-13-,27-1
    4-,28-14-;;
    AWLDATKNAASRNV-RWRCOHKGSA-L    		 CC1=CC2=NC1=Cc3n4[Zn][N]5C(=CC6=NC(=Cc4c
    (CCC(O)=O)c3C)C(=C6C)CCC(O)=O)C=C(C)C5=C
    2; CC1=CC2=NC1=Cc3n4[Zn][N@@]5C(=CC6=NC(
    =Cc4c(CCC(O)=O)c3C)C(=C6C)CCC(O)=O)C=C(C
    )C5=C2; Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=
    [N]4[Zn]36[N]7=C(C=C(C7=C2)C)C=C8N6C(=C5
    )C=C8C)C)CCC(=O)O; O=C(O)CCc1c(c2C=C5C(=
    CC=4C=C7C(=CC6=CC8=N3C(=Cc1n2[Zn]3(N=45)
    N67)C(=C8C)CCC(=O)O)C)C)C    		 Zinc (II) Deuteroporphyrin IX
    44006
    ZNE    		 1 C28 H41 N O3 S InChI=1S/C28H41NO3S/c1-18
    (6-4-8-25(31)27-29-14-15-
    33-27)23-11-12-24-20(7-5-
    13-28(23,24)3)9-10-21-16-
    22(30)17-26(32)19(21)2/h9
    -10,14-15,18,22-26,30-32H
    ,2,4-8,11-13,16-17H2,1,3H
    3/b20-9+,21-10-/t18-,22-,
    23-,24+,25?,26+,28-/m1/s1;
    AZVJHDPZXYTKQV-LCRUICLWSA-N    		 C[CH](CCC[CH](O)c1sccn1)[CH]2CC[CH]3C(CC
    C[C]23C)=CC=C4C[CH](O)C[CH](O)C4=C; C[C@
    H](CCCC(c1nccs1)O)[C@H]2CC[C@@H]\3[C@@]2
    (CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)
    C; CC(CCCC(c1nccs1)O)C2CCC3C2(CCCC3=CC=C
    4CC(CC(C4=C)O)O)C; C[C@H](CCC[C@H](O)c1s
    ccn1)[C@H]2CC[C@H]3C(/CCC[C@]23C)=C/C=C4
    /C[C@@H](O)C[C@H](O)C4=C    		 (1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,5S)-5-hydroxy-1-methyl-5-(1,3-thiazol-2-yl)pentyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol
    44007
    ZNF    		 1 C20 H28 Cl F N4 O2 InChI=1S/C20H28ClFN4O2/c1
    -13-10-26(11-14(2)24(13)3
    )20(28)25-8-4-5-15(12-25)
    19(27)23-16-6-7-17(21)18(
    22)9-16/h6-7,9,13-15H,4-5
    ,8,10-12H2,1-3H3,(H,23,27
    )/t13-,14+,15-/m0/s1;
    GQUONMSREALCFW-ZNMIVQPWSA-N    		 C[C@@H]1CN(C[C@@H](N1C)C)C(=O)N2CCC[C@@H
    ](C2)C(=O)Nc3ccc(c(c3)F)Cl; CC1CN(CC(N1C
    )C)C(=O)N2CCCC(C2)C(=O)Nc3ccc(c(c3)F)Cl;
    C[C@H]1CN(C[C@@H](C)N1C)C(=O)N2CCC[C@@H
    ](C2)C(=O)Nc3ccc(Cl)c(F)c3; CC1CN(CC(C)N
    1C)C(=O)N1CCCC(C1)C(=O)Nc1ccc(Cl)c(F)c1;
    C[CH]1CN(C[CH](C)N1C)C(=O)N2CCC[CH](C2)
    C(=O)Nc3ccc(Cl)c(F)c3    		 (3S)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide
    44008
    ZNG    		 1 C24 H15 F4 N5 O2 InChI=1S/C24H15F4N5O2/c25
    -18-3-4-19-15(5-6-35-19)1
    6(18)9-30-23-31-10-17-14-
    2-1-13(24(26,27)28)7-12(1
    4)8-29-22(34)20-21(17)33(
    23)11-32-20/h1-7,10-11H,8
    -9H2,(H,29,34)(H,30,31);
    ILIPTCWPZQIJIH-UHFFFAOYSA-N    		 c1cc-2c(cc1C(F)(F)F)CNC(=O)c3c4c2cnc(n4c
    n3)NCc5c6ccoc6ccc5F; Fc1ccc2occc2c1CNc3n
    cc4c5ccc(cc5CNC(=O)c6ncn3c46)C(F)(F)F; F
    C(F)(F)c1ccc2c3cnc(NCc4c(F)ccc5occc45)n4
    cnc(c34)C(=O)NCc2c1    		 (9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one
    44009
    ZNH
    DB03934    		 52 C34 H32 N4 O4 Zn InChI=1S/C34H34N4O4.Zn/c1
    -7-21-17(3)25-13-26-19(5)
    23(9-11-33(39)40)31(37-26
    )16-32-24(10-12-34(41)42)
    20(6)28(38-32)15-30-22(8-
    2)18(4)27(36-30)14-29(21)
    35-25;/h7-8,13-16H,1-2,9-
    12H2,3-6H3,(H4,35,36,37,3
    8,39,40,41,42);/q;+2/p-2/
    b25-13-,26-13-,27-14-,28-
    15-,29-14-,30-15-,31-16-,
    32-16-;;
    FUTVBRXUIKZACV-RGGAHWMASA-L    		 CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Zn][N@@]5C(=
    CC6=NC(=Cc4c(C)c3C=C)C(=C6C)C=C)C(=C(CCC
    (O)=O)C5=C2)C; CC1=C(CCC(O)=O)C2=NC1=Cc3
    n4[Zn][N]5C(=CC6=NC(=Cc4c(C)c3C=C)C(=C6C
    )C=C)C(=C(CCC(O)=O)C5=C2)C; Cc1c2n3c(c1C
    =C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(
    =C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC
    (=O)O)C    		 PROTOPORPHYRIN IX CONTAINING ZN
    44010
    ZNI    		 36 C47 H60 N8 O6 S InChI=1S/C47H60N8O6S/c1-6
    -54-39-12-9-28-18-31(39)3
    3(43(54)32-19-30(22-48-42
    (32)27(2)59-5)53-16-14-52
    (15-17-53)29-10-11-29)21-
    47(3,4)26-61-46(58)36-8-7
    -13-55(51-36)45(57)37(20-
    40-49-38(28)25-62-40)50-4
    4(56)41-34-23-60-24-35(34
    )41/h9,12,18-19,22,25,27,
    29,34-37,41,51H,6-8,10-11
    ,13-17,20-21,23-24,26H2,1
    -5H3,(H,50,56)/t27-,34-,3
    5+,36-,37-,41+/m0/s1;
    NBLZKEHVVJSAAY-VLXWOFRQSA-N    		 CCn1c2ccc3cc2c(CC(C)(C)COC(=O)[C@@H]4CCC
    [N@](N4)C(=O)[C@H](Cc5scc3n5)NC(=O)[C@H]
    6[C@@H]7COC[C@H]67)c1c8cc(cnc8[C@H](C)OC
    )N9CCN(CC9)C%10CC%10; CCn1c2ccc-3cc2c(c1
    c4cc(cnc4[C@H](C)OC)N5CCN(CC5)C6CC6)CC(C
    OC(=O)[C@@H]7CCCN(N7)C(=O)[C@H](Cc8nc3cs
    8)NC(=O)C9[C@H]1[C@@H]9COC1)(C)C; CC(OC)
    c1ncc(cc1c1n(CC)c2ccc3cc2c1CC(C)(C)COC(=
    O)C1CCCN(N1)C(=O)C(Cc1nc3cs1)NC(=O)C1C2C
    OCC21)N1CCN(CC1)C1CC1; CCn1c2ccc-3cc2c(c
    1c4cc(cnc4C(C)OC)N5CCN(CC5)C6CC6)CC(COC(
    =O)C7CCCN(N7)C(=O)C(Cc8nc3cs8)NC(=O)C9C1
    C9COC1)(C)C; CCn1c2ccc3cc2c(CC(C)(C)COC(
    =O)[CH]4CCC[N](N4)C(=O)[CH](Cc5scc3n5)NC
    (=O)[CH]6[CH]7COC[CH]67)c1c8cc(cnc8[CH](
    C)OC)N9CCN(CC9)C%10CC%10    		 (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide;
    RMC-7977
    44011
    ZNJ    		 1 C33 H41 F N8 O8 S InChI=1S/C33H41FN8O8S/c1-
    18-17-36-32(39-21-5-6-24(
    25(34)16-21)30(46)38-20-9
    -11-35-12-10-20)41-28(18)
    37-22-13-19(14-23(15-22)4
    2-51(49,50)33(2,3)4)29(45
    )40-26(31(47)48)7-8-27(43
    )44/h5-6,13-17,20,26,35,4
    2H,7-12H2,1-4H3,(H,38,46)
    (H,40,45)(H,43,44)(H,47,4
    8)(H2,36,37,39,41)/t26-/m
    0/s1;
    LRKZLSYOZLJAAM-SANMLTNESA-N    		 Cc1cnc(nc1Nc2cc(cc(c2)NS(=O)(=O)C(C)(C)C
    )C(=O)NC(CCC(=O)O)C(=O)O)Nc3ccc(c(c3)F)C
    (=O)NC4CCNCC4; Cc1cnc(Nc2ccc(c(F)c2)C(=O
    )NC3CCNCC3)nc1Nc4cc(N[S](=O)(=O)C(C)(C)C
    )cc(c4)C(=O)N[C@@H](CCC(O)=O)C(O)=O; O=C
    (NC1CCNCC1)c1ccc(Nc2nc(Nc3cc(cc(NS(=O)(=
    O)C(C)(C)C)c3)C(=O)NC(CCC(=O)O)C(=O)O)c(
    C)cn2)cc1F; Cc1cnc(nc1Nc2cc(cc(c2)NS(=O)
    (=O)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)
    O)Nc3ccc(c(c3)F)C(=O)NC4CCNCC4; Cc1cnc(N
    c2ccc(c(F)c2)C(=O)NC3CCNCC3)nc1Nc4cc(N[S
    ](=O)(=O)C(C)(C)C)cc(c4)C(=O)N[CH](CCC(O
    )=O)C(O)=O    		 N-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]benzoyl}-L-glutamic acid
    44012
    ZNL    		 1 C25 H27 N5 O3 S InChI=1S/C25H27N5O3S/c1-4
    -20(31)27-21-13-17(15-34-
    21)24(33)28-25-26-19-11-8
    -9-16(3)23(19)30(25)18-10
    -6-7-12-29(14-18)22(32)5-
    2/h4-5,8-9,11,13,15,18H,1
    -2,6-7,10,12,14H2,3H3,(H,
    27,31)(H,26,28,33)/t18-/m
    0/s1;
    DZTGCJZKRUDIGP-SFHVURJKSA-N    		 Cc1cccc2nc(NC(=O)c3csc(NC(=O)C=C)c3)n([C
    H]4CCCCN(C4)C(=O)C=C)c12; O=C(Nc1nc2cccc
    (C)c2n1C1CCCCN(C1)C(=O)C=C)c1cc(NC(=O)C=
    C)sc1; Cc1cccc2c1n(c(n2)NC(=O)c3cc(sc3)N
    C(=O)C=C)[C@H]4CCCCN(C4)C(=O)C=C; Cc1ccc
    c2nc(NC(=O)c3csc(NC(=O)C=C)c3)n([C@H]4CC
    CCN(C4)C(=O)C=C)c12; Cc1cccc2c1n(c(n2)NC
    (=O)c3cc(sc3)NC(=O)C=C)C4CCCCN(C4)C(=O)C
    =C    		 N-{7-methyl-1-[(3S)-1-(prop-2-enoyl)azepan-3-yl]-1H-benzimidazol-2-yl}-5-(prop-2-enamido)thiophene-3-carboxamide
    44013
    ZNM
    CHEMBL4650316    		 2 C27 H31 F5 N4 O InChI=1S/C27H31F5N4O/c1-1
    6-9-20-19-5-2-3-6-23(19)3
    4-25(20)26(36(16)14-27(31
    ,32)15-37)24-21(29)10-17(
    11-22(24)30)33-18-12-35(1
    3-18)8-4-7-28/h2-3,5-6,10
    -11,16,18,26,33-34,37H,4,
    7-9,12-15H2,1H3/t16-,26-/
    m1/s1;
    GQCXHIKRWBIQMD-AKJBCIBTSA-N    		 C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(CO)(
    F)F)c4c(cc(cc4F)NC5CN(C5)CCCF)F; FCCCN1C
    C(C1)Nc1cc(F)c(c(F)c1)C1c2[NH]c3ccccc3c2
    CC(C)N1CC(F)(F)CO; CC1Cc2c3ccccc3[nH]c2C
    (N1CC(CO)(F)F)c4c(cc(cc4F)NC5CN(C5)CCCF)
    F; C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC
    (F)(F)CO)c4c(F)cc(NC5CN(CCCF)C5)cc4F; C[
    CH]1Cc2c([nH]c3ccccc23)[CH](N1CC(F)(F)CO
    )c4c(F)cc(NC5CN(CCCF)C5)cc4F    		 3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol
    44014
    ZNN
    ZINC000263621041    		 1 C6 H13 N5 O InChI=1S/C6H13N5O/c7-3-1-
    2-4-9-6(12)5-10-11-8/h1-5
    ,7H2,(H,9,12);
    SISZTIABCFMEIA-UHFFFAOYSA-N    		 [N-]=[N+]=N\CC(=O)NCCCCN; C(CCNC(=O)CN=[
    N+]=[N-])CN; NCCCCNC(=O)CN=[N+]=[N-]    		 N-(4-aminobutyl)-2-azidoacetamide
    44015
    ZNO    		 0 H4 O2 Zn InChI=1/2H2O.Zn/h2*1H2;/q
    ;;+2/rH4O2Zn/c1-3-2/h1-2H
    2/q+2;
    UGZADUVQMDAIAO-LRNNFGKHAV    		 [OH2][Zn+2][OH2]; O|[Zn++]|O ZINC ION, 2 WATERS COORDINATED
    44016
    ZNP
    CHEMBL1236974
    ZINC000058649722    		 1 C10 H12 N2 O3 InChI=1S/C10H12N2O3/c11-1
    0(13)9(7-12(14)15)6-8-4-2
    -1-3-5-8/h1-5,9H,6-7H2,(H
    2,11,13)/t9-/m1/s1;
    JJVMCABGSUOHSC-SECBINFHSA-N    		 c1ccc(cc1)CC(C[N+](=O)[O-])C(=O)N; NC(=O
    )[CH](Cc1ccccc1)C[N+]([O-])=O; NC(=O)[C@
    H](Cc1ccccc1)C[N+]([O-])=O; c1ccc(cc1)C[
    C@H](C[N+](=O)[O-])C(=O)N; [O-][N+](=O)C
    C(C(=O)N)Cc1ccccc1    		 (2R)-2-benzyl-3-nitropropanamide
    44017
    ZNQ    		 1 C6 H16 O18 P4 InChI=1S/C6H16O18P4/c7-1-
    2(8)4(22-26(12,13)14)6(24
    -28(18,19)20)5(23-27(15,1
    6)17)3(1)21-25(9,10)11/h1
    -8H,(H2,9,10,11)(H2,12,13
    ,14)(H2,15,16,17)(H2,18,1
    9,20)/t1-,2-,3+,4+,5-,6-/
    m0/s1;
    MRVYFOANPDTYBY-VTJCEZEHSA-N    		 C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O
    )(O)O)OP(=O)(O)O)O)O; [C@@H]1([C@@H]([C@
    H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)
    (O)O)OP(=O)(O)O)OP(=O)(O)O)O)O; O[CH]1[C
    H](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O
    )[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O; O[
    C@H]1[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O
    [P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@@H]1O
    [P](O)(O)=O; OP(=O)(O)OC1C(OP(=O)(O)O)C(
    O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O    		 (1R,2S,3S,4R,5S,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)];
    scyllo-L-(1,2,3,4)-IP4
    44018
    ZNS    		 2 C4 H7 O7 P InChI=1S/C4H7O7P/c5-3(6)1
    -2-4(7)11-12(8,9)10/h1-2H
    2,(H,5,6)(H2,8,9,10);
    NCRLTRUGOQIEKI-UHFFFAOYSA-N    		 C(CC(=O)OP(=O)(O)O)C(=O)O; OC(=O)CCC(=O)
    O[P](O)(O)=O; O=P(O)(O)OC(=O)CCC(=O)O    		 4-oxo-4-(phosphonooxy)butanoic acid
    44019
    ZNT    		 4 C19 H23 N7 O14 P2 InChI=1S/C19H23N7O14P2/c2
    0-15-10-16(22-5-21-15)26(
    6-23-10)17-12(29)13-8(38-
    17)4-36-42(33,34)40-14-11
    (28)7(3-35-41(31,32)39-13
    )37-18(14)25-2-1-9(27)24-
    19(25)30/h1-2,5-8,11-14,1
    7-18,28-29H,3-4H2,(H,31,3
    2)(H,33,34)(H2,20,21,22)(
    H,24,27,30)/t7-,8-,11-,12
    -,13-,14-,17-,18-/m1/s1;
    QFSRDWZEQDGHEV-KPKSGTNCSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O
    [CH]5[CH](O)[CH](CO[P](O)(=O)O[CH]4[CH]3
    O)O[CH]5N6C=CC(=O)NC6=O; Nc1ncnc2n(cnc12
    )[C@@H]3O[C@@H]4CO[P](O)(=O)O[C@@H]5[C@H
    ](O)[C@@H](CO[P](O)(=O)O[C@H]4[C@H]3O)O[
    C@H]5N6C=CC(=O)NC6=O; c1nc(c2c(n1)n(cn2)
    [C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@
    @H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5N6
    C=CC(=O)NC6=O)O)O)O)N; Nc1ncnc2c1ncn2C1O
    C2COP(=O)(O)OC3C(OC(COP(=O)(O)OC2C1O)C3O
    )N1C=CC(=O)NC1=O; c1nc(c2c(n1)n(cn2)C3C(
    C4C(O3)COP(=O)(OC5C(C(COP(=O)(O4)O)OC5N6
    C=CC(=O)NC6=O)O)O)O)N    		 2'3'-cUA;
    1-[(2R,5R,7R,8R,10S,12aR,14R,15R,15aS,16R)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxy-2,10-dioxooctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecin-7-yl]pyrimidine-2,4(1H,3H)-dione
    44020
    ZNU
    ZINC000100619563    		 1 C6 H17 O21 P5 InChI=1S/C6H17O21P5/c7-1-
    2(23-28(8,9)10)4(25-30(14
    ,15)16)6(27-32(20,21)22)5
    (26-31(17,18)19)3(1)24-29
    (11,12)13/h1-7H,(H2,8,9,1
    0)(H2,11,12,13)(H2,14,15,
    16)(H2,17,18,19)(H2,20,21
    ,22)/t1-,2-,3-,4+,5-,6-/m
    0/s1;
    CTPQAXVNYGZUAJ-CNWJWELYSA-N    		 [C@H]1([C@H](C([C@H]([C@H](C1O)OP(=O)(O)
    O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O
    )(O)O; O[C@H]1[C@H](O[P](O)(O)=O)[C@@H](
    O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O
    [P](O)(O)=O)[C@H]1O[P](O)(O)=O; C1(C(C(C
    (C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP
    (=O)(O)O)OP(=O)(O)O)O; O[CH]1[CH](O[P](O
    )(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)
    =O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;
    OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(
    O)C(OP(=O)(O)O)C1OP(=O)(O)O    		 (1S,2R,3S,4S,5S,6S)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)];
    myo-(1OH)IP5
    44021
    ZNV
    ZINC000002548198    		 1 C9 H9 F O InChI=1S/C9H9FO/c1-2-7-11
    -9-6-4-3-5-8(9)10/h2-6H,1
    ,7H2;
    MABBMHBZKPIFFV-UHFFFAOYSA-N    		 Fc1ccccc1OCC=C; C=CCOc1ccccc1F 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene
    44022
    ZNX    		 1 C18 H21 N3 O4 InChI=1S/C18H21N3O4/c1-13
    -3-8-16(25-13)17(22)20-9-
    11-21(12-10-20)18(23)19-1
    4-4-6-15(24-2)7-5-14/h3-8
    H,9-12H2,1-2H3,(H,19,23);
    AAELWDSJMNFYDT-UHFFFAOYSA-N    		 Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)Nc3ccc(cc3
    )OC; Cc1ccc(o1)C(=O)N1CCN(CC1)C(=O)Nc1cc
    c(OC)cc1; COc1ccc(NC(=O)N2CCN(CC2)C(=O)c
    3oc(C)cc3)cc1    		 N-(4-methoxyphenyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
    44023
    ZNY    		 0 C7 H13 N O3 InChI=1S/C7H13NO3/c1-2-11
    -5-3-6(7(9)10)8-4-5/h5-6,
    8H,2-4H2,1H3,(H,9,10)/t5-
    ,6+/m1/s1;
    UGNGLHKEESUVLW-RITPCOANSA-N    		 CCO[C@H]1CN[C@@H](C1)C(O)=O; CCO[CH]1CN[
    CH](C1)C(O)=O; CCO[C@@H]1C[C@H](NC1)C(=O
    )O; CCOC1CC(NC1)C(=O)O    		 (4R)-4-ethoxy-L-proline
    44024
    ZNZ
    ZINC000100016209    		 1 C6 H17 O21 P5 InChI=1S/C6H17O21P5/c7-1-
    2(23-28(8,9)10)4(25-30(14
    ,15)16)6(27-32(20,21)22)5
    (26-31(17,18)19)3(1)24-29
    (11,12)13/h1-7H,(H2,8,9,1
    0)(H2,11,12,13)(H2,14,15,
    16)(H2,17,18,19)(H2,20,21
    ,22)/t1-,2-,3-,4+,5-,6-/m
    1/s1;
    CTPQAXVNYGZUAJ-XCMZKKERSA-N    		 O[C@H]1[C@@H](O[P](O)(O)=O)[C@@H](O[P](O
    )(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)
    (O)=O)[C@@H]1O[P](O)(O)=O; [C@@H]1([C@H]
    (C([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)
    O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O; C1(C
    (C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)
    O)OP(=O)(O)O)OP(=O)(O)O)O; O[CH]1[CH](O[
    P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O
    )(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)
    =O; OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)
    O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O    		 (1R,2R,3R,4S,5R,6R)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)];
    myo-(3OH)IP5
    44025
    ZO0
    ZINC000024002916    		 2 C15 H17 F3 N4 InChI=1S/C15H17F3N4/c1-21
    -7-4-8-22(10-9-21)13-11-5
    -2-3-6-12(11)19-14(20-13)
    15(16,17)18/h2-3,5-6H,4,7
    -10H2,1H3;
    VCBLSOZPKMFKJI-UHFFFAOYSA-N    		 CN1CCCN(CC1)c2nc(nc3ccccc23)C(F)(F)F; FC
    (F)(F)c1nc3c(c(n1)N2CCCN(C)CC2)cccc3; CN
    1CCCN(CC1)c2c3ccccc3nc(n2)C(F)(F)F    		 4-(4-METHYL-1,4-DIAZEPAN-1-YL)-2-(TRIFLUOROMETHYL)QUINAZOLINE
    44026
    ZO1
    CHEMBL4561632
    ZINC000000164958    		 0 C8 H5 F3 O2 InChI=1S/C8H5F3O2/c9-8(10
    ,11)6-3-1-2-5(4-6)7(12)13
    /h1-4H,(H,12,13);
    FQXQBFUUVCDIRK-UHFFFAOYSA-N    		 OC(=O)c1cccc(c1)C(F)(F)F; FC(F)(F)c1cccc
    (C=O)c1; c1cc(cc(c1)C(F)(F)F)C(=O)O    		 3-(trifluoromethyl)benzaldehyde
    44027
    ZO3    		 0 H6 O3 Zn InChI=1/3H2O.Zn/h3*1H2;/q
    ;;;+2/rH6O3Zn/c1-4(2)3/h1
    -3H2/q+2;
    FTXMHASAYZWVCS-MAMYJRRWAA    		 [OH2][Zn+2]([OH2])[OH2]; O|[Zn++](|O)|O ZINC ION, 3 WATERS COORDINATED
    44028
    ZO4    		 16 C24 H30 Cl N3 O5 InChI=1S/C24H30ClN3O5/c1-
    13(2)14-6-5-7-15(10-14)24
    (3,4)28-23(32)26-16-8-9-1
    7(25)18(11-16)27-22-21(31
    )20(30)19(29)12-33-22/h5-
    11,19-22,27,29-31H,1,12H2
    ,2-4H3,(H2,26,28,32)/t19-
    ,20-,21-,22-/m1/s1;
    AFRUCARRYXUVSH-GXRSIYKFSA-N    		 CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2
    )N[C@H]3[C@@H]([C@@H]([C@@H](CO3)O)O)O)C
    l; C=C(C)c1cccc(c1)C(C)(C)NC(=O)Nc1cc(NC
    2OCC(O)C(O)C2O)c(Cl)cc1; CC(=C)c1cccc(c1
    )C(C)(C)NC(=O)Nc2ccc(Cl)c(N[C@@H]3OC[C@@
    H](O)[C@@H](O)[C@H]3O)c2; CC(=C)c1cccc(c
    1)C(C)(C)NC(=O)Nc2ccc(c(c2)NC3C(C(C(CO3)
    O)O)O)Cl; CC(=C)c1cccc(c1)C(C)(C)NC(=O)N
    c2ccc(Cl)c(N[CH]3OC[CH](O)[CH](O)[CH]3O)
    c2    		 N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-ribopyranosylamine
    44029
    ZO5    		 1 C18 H19 N3 O5 InChI=1S/C18H19N3O5/c22-1
    7(15-2-1-9-24-15)20-5-7-2
    1(8-6-20)18(23)19-11-13-3
    -4-14-16(10-13)26-12-25-1
    4/h1-4,9-10H,5-8,11-12H2,
    (H,19,23);
    OROHVINEJMFCOR-UHFFFAOYSA-N    		 O=C(NCc1ccc2OCOc2c1)N3CCN(CC3)C(=O)c4occ
    c4; c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCc3ccc
    4c(c3)OCO4; O=C(N1CCN(CC1)C(=O)NCc1ccc2O
    COc2c1)c1ccco1    		 N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
    44030
    ZO6
    ZINC000000481000    		 1 C10 H6 N2 S InChI=1S/C10H6N2S/c1-3-11
    -6-8-7(1)5-12-9-2-4-13-10
    (8)9/h1-6H;
    NKBQKUDYRMOAKU-UHFFFAOYSA-N    		 c1cncc2c1cnc3c2scc3; s1ccc2ncc3ccncc3c12
    ; n2cc1ccncc1c3sccc23    		 thieno[3,2-c][2,6]naphthyridine
    44031
    ZO7    		 16 C24 H30 Cl N3 O5 InChI=1S/C24H30ClN3O5/c1-
    13(2)14-6-5-7-15(10-14)24
    (3,4)28-23(32)26-16-8-9-1
    7(25)18(11-16)27-22-21(31
    )20(30)19(29)12-33-22/h5-
    11,19-22,27,29-31H,1,12H2
    ,2-4H3,(H2,26,28,32)/t19-
    ,20-,21+,22-/m1/s1;
    AFRUCARRYXUVSH-YUMYIRISSA-N    		 CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2
    )N[C@H]3[C@H]([C@@H]([C@@H](CO3)O)O)O)Cl
    ; C=C(C)c1cccc(c1)C(C)(C)NC(=O)Nc1cc(NC2
    OCC(O)C(O)C2O)c(Cl)cc1; CC(=C)c1cccc(c1)
    C(C)(C)NC(=O)Nc2ccc(c(c2)NC3C(C(C(CO3)O)
    O)O)Cl; CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2
    ccc(Cl)c(N[CH]3OC[CH](O)[CH](O)[CH]3O)c2
    ; CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl
    )c(N[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)
    c2    		 N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-arabinopyranosylamine
    44032
    ZO8
    ZINC000000481002    		 1 C10 H6 N2 S InChI=1S/C10H6N2S/c1-3-11
    -5-7-6-12-10-9(8(1)7)2-4-
    13-10/h1-6H;
    QHMIKZNQCBVQNW-UHFFFAOYSA-N    		 c1cncc2c1c3ccsc3nc2; n2cc1cnccc1c3c2scc3
    ; s1ccc2c1ncc3cnccc23    		 thieno[2,3-c][2,7]naphthyridine
    44033
    ZO9
    CHEMBL1078930
    ZINC000000053816    		 1 C13 H13 N5 O InChI=1S/C13H13N5O/c14-12
    -11(16-19-17-12)13-15-9-3
    -1-2-4-10(9)18(13)7-8-5-6
    -8/h1-4,8H,5-7H2,(H2,14,1
    7);
    LLDVRUBUBPSOMY-UHFFFAOYSA-N    		 Nc1nonc1c2nc3ccccc3n2CC4CC4; c1ccc2c(c1)
    nc(n2CC3CC3)c4c(non4)N; n1onc(N)c1c2nc4c
    (n2CC3CC3)cccc4    		 4-[1-(cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
    44034
    ZOA
    CHEMBL4846275    		 1 C18 H20 N6 O4 S2 InChI=1S/C18H20N6O4S2/c1-
    3-28-17(25)14-9-20-16-15(
    10-22-24(16)11(14)2)23-18
    (29)21-8-12-4-6-13(7-5-12
    )30(19,26)27/h4-7,9-10H,3
    ,8H2,1-2H3,(H2,19,26,27)(
    H2,21,23,29);
    INPDIBARMWLENP-UHFFFAOYSA-N    		 CCOC(=O)c1cnc2c(cnn2c1C)NC(=S)NCc3ccc(cc
    3)S(=O)(=O)N; CCOC(=O)c1cnc2n(ncc2NC(=S)
    NCc3ccc(cc3)[S](N)(=O)=O)c1C; NS(=O)(=O)
    c1ccc(cc1)CNC(=S)Nc1cnn2c(C)c(cnc12)C(=O
    )OCC    		 ethyl (8R)-7-methyl-3-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
    44035
    ZOB    		 1 C22 H26 F2 N6 O5 S InChI=1S/C22H26F2N6O5S/c1
    -5-35-20-10-14(2)27-22(29
    -20)30(8-9-33-3)36(31,32)
    18-6-7-19(28-21(18)34-4)2
    6-11-15-16(23)12-25-13-17
    (15)24/h6-7,10,12-13H,5,8
    -9,11H2,1-4H3,(H,26,28);
    APXQLSSVLHYGGM-UHFFFAOYSA-N    		 CCOc1cc(C)nc(n1)N(CCOC)[S](=O)(=O)c2ccc(
    NCc3c(F)cncc3F)nc2OC; O=S(=O)(N(CCOC)c1n
    c(C)cc(OCC)n1)c1ccc(NCc2c(F)cncc2F)nc1OC
    ; CCOc1cc(nc(n1)N(CCOC)S(=O)(=O)c2ccc(nc
    2OC)NCc3c(cncc3F)F)C    		 6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide
    44036
    ZOD
    ZINC000096095472    		 2 C17 H25 N5 O15 P2 InChI=1S/C17H25N5O15P2/c1
    -6(23)34-13-11(25)8(36-17
    (13)27)3-33-39(30,31)37-3
    8(28,29)32-2-7-10(24)12(2
    6)16(35-7)22-5-21-9-14(18
    )19-4-20-15(9)22/h4-5,7-8
    ,10-13,16-17,24-27H,2-3H2
    ,1H3,(H,28,29)(H,30,31)(H
    2,18,19,20)/t7-,8-,10-,11
    -,12-,13-,16-,17-/m1/s1;
    BFNOPXRXIQJDHO-QJWJOKBXSA-N    		 CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1O)COP(
    =O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@
    H](O2)n3cnc4c3ncnc4N)O)O)O; CC(=O)OC1C(O
    )OC(C1O)COP(OP(O)(=O)OCC4OC(n2cnc3c(N)nc
    nc23)C(O)C4O)(=O)O; CC(=O)OC1C(C(OC1O)CO
    P(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3nc
    nc4N)O)O)O; CC(=O)O[CH]1[CH](O)O[CH](CO[
    P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)
    [CH]2O)n3cnc4c(N)ncnc34)[CH]1O; CC(=O)O[
    C@H]1[C@H](O)O[C@H](CO[P](O)(=O)O[P](O)(
    =O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc
    4c(N)ncnc34)[C@H]1O    		 [(2R,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] ethanoate
    44037
    ZOE    		 5 C16 H27 N3 O5 S InChI=1S/C16H27N3O5S/c20-
    13(17-9-5-1-2-8-14(21)22)
    7-4-3-6-12-15-11(10-25(12
    )24)18-16(23)19-15/h11-12
    ,15H,1-10H2,(H,17,20)(H,2
    1,22)(H2,18,19,23)/t11-,1
    2-,15-,25-/m0/s1;
    WVGTVVXHODUEJR-XNCOPMLMSA-N    		 OC(=O)CCCCCNC(=O)CCCC[CH]1[CH]2NC(=O)N[C
    H]2C[S]1=O; C1[C@H]2[C@@H]([C@@H]([S@]1=
    O)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2; OC(=O)
    CCCCCNC(=O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2
    C[S@]1=O; C1C2C(C(S1=O)CCCCC(=O)NCCCCCC(
    =O)O)NC(=O)N2; O=S2C(C1NC(=O)NC1C2)CCCCC
    (=O)NCCCCCC(=O)O    		 6-({5-[(3aS,4S,5S,6aR)-5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid
    44038
    ZOF
    ZINC000034054957    		 12 C16 H28 N4 O3 S InChI=1S/C16H28N4O3S/c17-
    16-19-11-10-24-12(15(11)2
    0-16)6-3-4-7-13(21)18-9-5
    -1-2-8-14(22)23/h11-12,15
    H,1-10H2,(H,18,21)(H,22,2
    3)(H3,17,19,20)/t11-,12-,
    15-/m0/s1;
    IAJKFHSLWUNBII-HUBLWGQQSA-N    		 OC(=O)CCCCCNC(=O)CCCC[CH]1SC[CH]2NC(=N)N
    [CH]12; O=C(O)CCCCCNC(=O)CCCCC1SCC2NC(=[
    N@H])NC12; OC(=O)CCCCCNC(=O)CCCC[C@@H]1S
    C[C@@H]2NC(=N)N[C@H]12; C1C2C(C(S1)CCCCC
    (=O)NCCCCCC(=O)O)NC(=N)N2; [H]/N=C/1\N[C
    @H]2CS[C@H]([C@H]2N1)CCCCC(=O)NCCCCCC(=O
    )O    		 6-({5-[(2E,3aS,4S,6aR)-2-iminohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid
    44039
    ZOG
    CHEMBL5276559    		 2 C21 H21 F2 N O5 S InChI=1S/C21H21F2NO5S/c22
    -18-6-3-16(13-19(18)23)14
    -9-11-24(12-10-14)30(28,2
    9)17-4-1-15(2-5-17)20(25)
    7-8-21(26)27/h1-6,13-14H,
    7-12H2,(H,26,27);
    MCLQTWVCUVNNQM-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)CCC(=O)O)S(=O)(=O)N2CCC(CC
    2)c3ccc(c(c3)F)F; OC(=O)CCC(=O)c1ccc(cc1
    )[S](=O)(=O)N2CCC(CC2)c3ccc(F)c(F)c3; O=
    S(=O)(c1ccc(cc1)C(=O)CCC(=O)O)N1CCC(CC1)
    c1ccc(F)c(F)c1    		 4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid
    44040
    ZOH    		 1 C18 H21 N3 O4 InChI=1S/C18H21N3O4/c1-13
    -11-20(17(22)14-7-10-25-1
    2-14)8-9-21(13)18(23)19-1
    5-3-5-16(24-2)6-4-15/h3-7
    ,10,12-13H,8-9,11H2,1-2H3
    ,(H,19,23)/t13-/m1/s1;
    FLLJHTLLVKMXOG-CYBMUJFWSA-N    		 C[C@H]1CN(CCN1C(=O)Nc2ccc(cc2)OC)C(=O)c3
    ccoc3; CC1CN(CCN1C(=O)Nc2ccc(cc2)OC)C(=O
    )c3ccoc3; COc1ccc(NC(=O)N2CCN(C[C@@H]2C)
    C(=O)c3cocc3)cc1; COc1ccc(NC(=O)N2CCN(C[
    CH]2C)C(=O)c3cocc3)cc1; O=C(N1CCN(C(=O)N
    c2ccc(OC)cc2)C(C)C1)c1ccoc1    		 (2R)-4-(furan-3-carbonyl)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
    44041
    ZOI    		 2 C19 H21 N5 O3 InChI=1S/C19H21N5O3/c1-24
    -10-13(12-8-17(23-18(20)2
    5)21-9-15(12)24)14-4-3-5-
    16(22-14)19(26-2)6-7-27-1
    1-19/h3-5,8-10H,6-7,11H2,
    1-2H3,(H3,20,21,23,25)/t1
    9-/m0/s1;
    LBFKCADAEOIHNK-IBGZPJMESA-N    		 Cn1cc(c2c1cnc(c2)NC(=O)N)c3cccc(n3)[C@@]
    4(CCOC4)OC; COC1(CCOC1)c1nc(ccc1)c1cn(C)
    c2cnc(NC(N)=O)cc21; CO[C@]1(CCOC1)c2cccc
    (n2)c3cn(C)c4cnc(NC(N)=O)cc34; Cn1cc(c2c
    1cnc(c2)NC(=O)N)c3cccc(n3)C4(CCOC4)OC; C
    O[C]1(CCOC1)c2cccc(n2)c3cn(C)c4cnc(NC(N)
    =O)cc34    		 N-[(3M)-3-{6-[(3R)-3-methoxyoxolan-3-yl]pyridin-2-yl}-1-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
    44042
    ZOK    		 1 C13 H16 F3 N3 O3 InChI=1S/C13H16F3N3O3/c1-
    9-7-18(11(20)10-3-2-6-22-
    10)4-5-19(9)12(21)17-8-13
    (14,15)16/h2-3,6,9H,4-5,7
    -8H2,1H3,(H,17,21)/t9-/m0
    /s1;
    ZYLVNONXIHUQRE-VIFPVBQESA-N    		 C[C@@H]1CN(CCN1C(=O)NCC(F)(F)F)C(=O)c2oc
    cc2; C[C@@H]1CN(CCN1C(=O)NCC(F)(F)F)C(=O
    )c2ccco2; C[CH]1CN(CCN1C(=O)NCC(F)(F)F)C
    (=O)c2occc2; CC1CN(CCN1C(=O)NCC(F)(F)F)C
    (=O)c2ccco2; O=C(N1CCN(C(=O)NCC(F)(F)F)C
    (C)C1)c1ccco1    		 (2S)-4-(furan-2-carbonyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
    44043
    ZOL
    CHEMBL924
    DB00399
    ZINC000003803652    		 42 C5 H10 N2 O7 P2 InChI=1S/C5H10N2O7P2/c8-5
    (15(9,10)11,16(12,13)14)3
    -7-2-1-6-4-7/h1-2,4,8H,3H
    2,(H2,9,10,11)(H2,12,13,1
    4);
    XRASPMIURGNCCH-UHFFFAOYSA-N    		 OC(Cn1ccnc1)([P](O)(O)=O)[P](O)(O)=O; O=
    P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O; c1cn(cn1
    )CC(O)(P(=O)(O)O)P(=O)(O)O    		 ZOLEDRONIC ACID;
    (1-HYDROXY-2-IMIDAZOL-1-YLETHYLIDENE)DIPHOSPHONIC ACID
    44044
    ZOM
    CHEMBL19490
    DB04828
    ZINC000000057537    		 3 C15 H14 Cl N O3 InChI=1S/C15H14ClNO3/c1-9
    -7-12(8-13(18)19)17(2)14(
    9)15(20)10-3-5-11(16)6-4-
    10/h3-7H,8H2,1-2H3,(H,18,
    19);
    ZXVNMYWKKDOREA-UHFFFAOYSA-N    		 Cn1c(CC(O)=O)cc(C)c1C(=O)c2ccc(Cl)cc2; C
    c1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)O; O=
    C(c1c(cc(n1C)CC(=O)O)C)c2ccc(Cl)cc2    		 [5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetic acid;
    Zomepirac
    44045
    ZON
    CHEMBL750
    DB00909
    ZINC000000004321    		 2 C8 H8 N2 O3 S InChI=1S/C8H8N2O3S/c9-14(
    11,12)5-7-6-3-1-2-4-8(6)1
    3-10-7/h1-4H,5H2,(H2,9,11
    ,12);
    UBQNRHZMVUUOMG-UHFFFAOYSA-N    		 c1ccc2c(c1)c(no2)CS(=O)(=O)N; N[S](=O)(=
    O)Cc1noc2ccccc12; O=S(=O)(N)Cc2noc1ccccc
    12    		 1-(1,2-benzoxazol-3-yl)methanesulfonamide;
    Zonisamide
    44046
    ZOO
    CHEMBL1270835
    ZINC000064512404    		 1 C22 H19 F4 N3 O2 InChI=1S/C22H19F4N3O2/c1-
    29-19(30)22(28-21(29)27,1
    5-6-9-17(10-7-15)31-20(25
    )26)16-8-11-18(24)14(13-1
    6)5-3-2-4-12-23/h6-11,13,
    20H,2,4,12H2,1H3,(H2,27,2
    8)/t22-/m1/s1;
    ZSIZOKHLIKKQIV-JOCHJYFZSA-N    		 O=C2N(C(=NC2(c1cc(C#CCCCF)c(F)cc1)c3ccc(
    OC(F)F)cc3)N)C; CN1C(=O)C(N=C1N)(c2ccc(c
    c2)OC(F)F)c3ccc(c(c3)C#CCCCF)F; CN1C(=N[
    C](C1=O)(c2ccc(OC(F)F)cc2)c3ccc(F)c(c3)C
    #CCCCF)N; CN1C(=N[C@](C1=O)(c2ccc(OC(F)F
    )cc2)c3ccc(F)c(c3)C#CCCCF)N; CN1C(=O)[C@
    @](N=C1N)(c2ccc(cc2)OC(F)F)c3ccc(c(c3)C#
    CCCCF)F    		 (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one
    44047
    ZOP
    CHEMBL496862
    ZINC000101234826    		 5 C31 H34 N4 O2 InChI=1S/C31H34N4O2/c1-3-
    34(2)31(37)24-14-17-26-27
    (20-24)33-30(36)28(26)29(
    23-10-6-4-7-11-23)32-25-1
    5-12-22(13-16-25)21-35-18
    -8-5-9-19-35/h4,6-7,10-17
    ,20,32H,3,5,8-9,18-19,21H
    2,1-2H3,(H,33,36)/b29-28-;
    MUSRTIADFPCYTQ-ZIADKAODSA-N    		 CCN(C)C(=O)c1ccc/2c(NC(=O)C/2=C(/Nc3ccc(
    CN4CCCCC4)cc3)c5ccccc5)c1; O=C(N(CC)C)c1
    cc2c(cc1)/C(C(=O)N2)=C(\c3ccccc3)Nc4ccc(
    cc4)CN5CCCCC5; CCN(C)C(=O)c1ccc2c(NC(=O)
    C2=C(Nc3ccc(CN4CCCCC4)cc3)c5ccccc5)c1; C
    CN(C)C(=O)c1ccc\2c(c1)NC(=O)/C2=C(/c3ccc
    cc3)\Nc4ccc(cc4)CN5CCCCC5; CCN(C)C(=O)c1
    ccc2c(c1)NC(=O)C2=C(c3ccccc3)Nc4ccc(cc4)
    CN5CCCCC5    		 (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE
    44048
    ZOQ    		 2 C19 H20 N4 O3 S InChI=1S/C19H20N4O3S/c1-2
    3(2)27(25,26)14-5-3-4-13(
    8-14)16-10-20-17-11-21-18
    (9-15(16)17)22-19(24)12-6
    -7-12/h3-5,8-12,20H,6-7H2
    ,1-2H3,(H,21,22,24);
    MWLYDRPVHZEGMX-UHFFFAOYSA-N    		 CN(C)S(=O)(=O)c1cccc(c1)c2c[nH]c3c2cc(nc
    3)NC(=O)C4CC4; CN(C)[S](=O)(=O)c1cccc(c1
    )c2c[nH]c3cnc(NC(=O)C4CC4)cc23; CN(C)S(=
    O)(=O)c1cccc(c1)c1c[NH]c2cnc(cc21)NC(=O)
    C1CC1    		 N-{(3P)-3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-5-yl}cyclopropanecarboxamide
    44049
    ZOT
    CHEMBL285802
    DB09225
    ZINC000000002264    		 2 C18 H18 Cl N O S InChI=1S/C18H18ClNOS/c1-2
    0(2)9-10-21-16-11-13-5-3-
    4-6-17(13)22-18-8-7-14(19
    )12-15(16)18/h3-8,11-12H,
    9-10H2,1-2H3;
    HDOZVRUNCMBHFH-UHFFFAOYSA-N    		 CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl; CN(C
    )CCOC1=Cc2ccccc2Sc3ccc(Cl)cc13    		 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine
    44050
    ZOU    		 1 C18 H21 N3 O4 InChI=1S/C18H21N3O4/c1-13
    -5-6-15(24-2)14(12-13)19-
    18(23)21-9-7-20(8-10-21)1
    7(22)16-4-3-11-25-16/h3-6
    ,11-12H,7-10H2,1-2H3,(H,1
    9,23);
    SUWVNQBVHZNJOQ-UHFFFAOYSA-N    		 O=C(N1CCN(CC1)C(=O)Nc1cc(C)ccc1OC)c1ccco
    1; Cc1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3cc
    co3)OC; COc1ccc(C)cc1NC(=O)N2CCN(CC2)C(=
    O)c3occc3    		 4-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
    44051
    ZOV
    CHEMBL4441118
    ZINC000253476140    		 4 C19 H15 N5 S2 InChI=1S/C19H15N5S2/c1-10
    -5-15(24(2)23-10)12-7-21-
    19(20)17-13(8-25-18(12)17
    )11-3-4-16-14(6-11)22-9-2
    6-16/h3-9H,1-2H3,(H2,20,2
    1);
    BPKSNNJTKPIZKR-UHFFFAOYSA-N    		 Cc1cc(n(C)n1)c1cnc(N)c2c1scc2c1cc2ncsc2c
    c1; Cc1cc(n(n1)C)c2cnc(c3c2scc3c4ccc5c(c
    4)ncs5)N; Cn1nc(C)cc1c2cnc(N)c3c2scc3c4c
    cc5scnc5c4    		 3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine;
    GSK'843
    44052
    ZOW    		 1 C6 H18 O24 P6 InChI=1S/C6H18O24P6/c7-1-
    2(8)4(28-36(23,24)30-34(1
    8,19)20)6(26-32(12,13)14)
    5(25-31(9,10)11)3(1)27-35
    (21,22)29-33(15,16)17/h1-
    8H,(H,21,22)(H,23,24)(H2,
    9,10,11)(H2,12,13,14)(H2,
    15,16,17)(H2,18,19,20)/t1
    -,2-,3+,4+,5-,6-/m0/s1;
    YTZCXAMBYZGQAA-VTJCEZEHSA-N    		 C1(C(C(C(C(C1OP(=O)(O)OP(=O)(O)O)OP(=O)(
    O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)O;
    [C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]
    1OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O
    )O)OP(=O)(O)OP(=O)(O)O)O)O; OP(=O)(O)OC1
    C(OP(=O)(O)OP(=O)(O)O)C(O)C(O)C(OP(=O)(O
    )OP(=O)(O)O)C1OP(=O)(O)O; O[C@H]1[C@H](O
    )[C@@H](O[P](O)(=O)O[P](O)(O)=O)[C@H](O[
    P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@@H]1O[
    P](O)(=O)O[P](O)(O)=O; O[CH]1[CH](O)[CH]
    (O[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(O)
    =O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(=O)O[P
    ](O)(O)=O    		 (1R,2S,3S,4R,5S,6S)-2,3-dihydroxy-5,6-bis(phosphonooxy)cyclohexane-1,4-diyl bis[trihydrogen (diphosphate)]
    44053
    ZOY    		 2 C21 H35 N3 O2 InChI=1S/C21H35N3O2/c22-1
    9(21(23)26)15-11-17-24-20
    (25)16-10-5-3-1-2-4-7-12-
    18-13-8-6-9-14-18/h6,8-9,
    13-14,19H,1-5,7,10-12,15-
    17,22H2,(H2,23,26)(H,24,2
    5)/t19-/m0/s1;
    PXLGZFSIHCIIGA-IBGZPJMESA-N    		 N[CH](CCCNC(=O)CCCCCCCCCc1ccccc1)C(N)=O;
    NC(=O)C(N)CCCNC(=O)CCCCCCCCCc1ccccc1; c
    1ccc(cc1)CCCCCCCCCC(=O)NCCCC(C(=O)N)N; N
    [C@@H](CCCNC(=O)CCCCCCCCCc1ccccc1)C(N)=O
    ; c1ccc(cc1)CCCCCCCCCC(=O)NCCC[C@@H](C(=
    O)N)N    		 N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide
    44054
    ZOZ
    ZINC000096014534    		 6 C31 H52 N7 O18 P3 S InChI=1S/C31H52N7O18P3S/c
    1-4-5-6-7-8-9-19(39)14-22
    (41)60-13-12-33-21(40)10-
    11-34-29(44)26(43)31(2,3)
    16-53-59(50,51)56-58(48,4
    9)52-15-20-25(55-57(45,46
    )47)24(42)30(54-20)38-18-
    37-23-27(32)35-17-36-28(2
    3)38/h17-18,20,24-26,30,4
    2-43H,4-16H2,1-3H3,(H,33,
    40)(H,34,44)(H,48,49)(H,5
    0,51)(H2,32,35,36)(H2,45,
    46,47)/t20-,24-,25-,26+,3
    0-/m1/s1;
    AZCVXMAPLHSIKY-HSJNEKGZSA-N    		 CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H
    ](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@
    H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=
    O)(O)O)O; CCCCCCCC(=O)CC(=O)SCCNC(=O)CCN
    C(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C
    (C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCC
    CCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C
    (C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH
    ]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncn
    c23; CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)
    [C@H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC
    [C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O
    )n2cnc3c(N)ncnc23    		 3-KETO-DECANOYL-COA
    44055
    ZP0    		 1 C19 H27 N3 O5 InChI=1S/C19H27N3O5/c1-19
    (2)13-26-16(12-27-19)11-2
    0-18(25)22-8-6-21(7-9-22)
    17(24)14-4-3-5-15(23)10-1
    4/h3-5,10,16,23H,6-9,11-1
    3H2,1-2H3,(H,20,25)/t16-/
    m0/s1;
    ZRUCPOGUOWXAIC-INIZCTEOSA-N    		 CC1(C)CO[C@@H](CNC(=O)N2CCN(CC2)C(=O)c3c
    ccc(O)c3)CO1; CC1(C)CO[CH](CNC(=O)N2CCN(
    CC2)C(=O)c3cccc(O)c3)CO1; CC1(COC(CO1)CN
    C(=O)N2CCN(CC2)C(=O)c3cccc(c3)O)C; Oc1cc
    cc(c1)C(=O)N1CCN(CC1)C(=O)NCC1OCC(C)(C)O
    C1; CC1(CO[C@H](CO1)CNC(=O)N2CCN(CC2)C(=
    O)c3cccc(c3)O)C    		 N-{[(2S)-5,5-dimethyl-1,4-dioxan-2-yl]methyl}-4-(3-hydroxybenzoyl)piperazine-1-carboxamide
    44056
    ZP1    		 12 C18 H31 N4 O13 P3 S InChI=1S/C18H31N4O13P3S/c
    1-4-33-36(26,27)18(25,7-5
    -15(23)24)17-22(10-13-9-2
    0-12(3)21-16(13)19)11(2)1
    4(39-17)6-8-34-38(31,32)3
    5-37(28,29)30/h9,17,25H,4
    -8,10H2,1-3H3,(H,23,24)(H
    ,26,27)(H,31,32)(H2,19,20
    ,21)(H2,28,29,30)/t17-,18
    +/m1/s1;
    XUQXUYTXDQCESE-MSOLQXFVSA-N    		 CCO[P](O)(=O)[C](O)(CCC(O)=O)[CH]1SC(=C(
    C)N1Cc2cnc(C)nc2N)CCO[P](O)(=O)O[P](O)(O
    )=O; CCOP(=O)(C(CCC(=O)O)(C1N(C(=C(S1)CC
    OP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O)O;
    CCO[P](O)(=O)[C@@](O)(CCC(O)=O)[C@H]1SC
    (=C(C)N1Cc2cnc(C)nc2N)CCO[P](O)(=O)O[P](
    O)(O)=O; CCOP(=O)([C@@](CCC(=O)O)([C@@H]
    1N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cn
    c(nc2N)C)O)O    		 (4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanyl-butanoic acid
    44057
    ZP2    		 6 C14 H10 F N O6 InChI=1S/C14H10FNO6/c1-22
    -12-5-8(4-11(14(12)19)16(
    20)21)13(18)7-2-9(15)6-10
    (17)3-7/h2-6,17,19H,1H3;
    LHCGDAFIWWCKGM-UHFFFAOYSA-N    		 COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2cc(O)c
    c(F)c2; COc1cc(cc(c1O)[N+](=O)[O-])C(=O)
    c2cc(cc(c2)F)O    		 (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone;
    Pharmacokinetically Improved TTR Binder (PITB)
    44058
    ZP4
    ZINC000263620792    		 8 C20 H28 N10 O19 P4 InChI=1S/C20H28N10O19P4/c
    1-8-3-29(20(34)26-18(8)33
    )12-2-9(27-28-22)10(45-12
    )4-43-50(35,36)47-52(39,4
    0)49-53(41,42)48-51(37,38
    )44-5-11-14(31)15(32)19(4
    6-11)30-7-25-13-16(21)23-
    6-24-17(13)30/h3,6-7,9-12
    ,14-15,19,31-32H,2,4-5H2,
    1H3,(H,35,36)(H,37,38)(H,
    39,40)(H,41,42)(H2,21,23,
    24)(H,26,33,34)/t9-,10+,1
    1+,12+,14+,15+,19+/m0/s1;
    NHJROJSMKQZWCP-SLFMBYJQSA-N    		 CC1=CN([CH]2C[CH](N=[N+]=[N-])[CH](CO[P]
    (O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)
    OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncn
    c45)O2)C(=O)NC1=O; CC1=CN([C@H]2C[C@H](N
    =[N+]=[N-])[C@@H](CO[P@](O)(=O)O[P@](O)(
    =O)O[P@](O)(=O)O[P@@](O)(=O)OC[C@H]3O[C@
    H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)O2)
    C(=O)NC1=O; CC1=CN(C(=O)NC1=O)C2CC(C(O2)
    COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC
    3C(C(C(O3)n4cnc5c4ncnc5N)O)O)N=[N+]=[N-]
    ; CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](
    O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)
    (O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@
    H](O3)n4cnc5c4ncnc5N)O)O)N=[N+]=[N-]
    44059
    ZP5    		 1 C13 H14 N4 O4 InChI=1S/C13H14N4O4/c18-1
    2(10-2-1-8-20-10)16-4-6-1
    7(7-5-16)13(19)14-11-3-9-
    21-15-11/h1-3,8-9H,4-7H2,
    (H,14,15,19);
    JFRDDDWDJJFTRC-UHFFFAOYSA-N    		 O=C(Nc1ccon1)N2CCN(CC2)C(=O)c3occc3; c1c
    c(oc1)C(=O)N2CCN(CC2)C(=O)Nc3ccon3; O=C(
    Nc1ccon1)N1CCN(CC1)C(=O)c1ccco1    		 4-(furan-2-carbonyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
    44060
    ZP6
    ZINC000004029165    		 8 C22 H24 N2 O5 InChI=1S/C22H24N2O5/c25-2
    0(23-18(21(26)27)14-16-8-
    3-1-4-9-16)19-12-7-13-24(
    19)22(28)29-15-17-10-5-2-
    6-11-17/h1-6,8-11,18-19H,
    7,12-15H2,(H,23,25)(H,26,
    27)/t18-,19-/m0/s1;
    GMUYSWQSSRROPG-OALUTQOASA-N    		 OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]2CCCN2
    C(=O)OCc3ccccc3; c1ccc(cc1)CC(C(=O)O)NC(
    =O)C2CCCN2C(=O)OCc3ccccc3; c1ccc(cc1)C[C
    @@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)OCc3c
    cccc3; OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2C
    CCN2C(=O)OCc3ccccc3    		 (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid
    44061
    ZP7
    ZINC000032840891    		 3 C19 H38 O4 InChI=1S/C19H38O4/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-19(22)23-17-18(21)16
    -20/h18,20-21H,2-17H2,1H3
    /t18-/m0/s1;
    QHZLMUACJMDIAE-SFHVURJKSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O; CCCCCC
    CCCCCCCCCC(=O)OCC(CO)O; CCCCCCCCCCCCCCCC
    (=O)OC[CH](O)CO; CCCCCCCCCCCCCCCC(=O)OC[
    C@@H](O)CO; OCC(O)COC(=O)CCCCCCCCCCCCCCC    		 (2S)-2,3-dihydroxypropyl hexadecanoate
    44062
    ZP8    		 2 C9 H13 N3 O2 InChI=1S/C9H13N3O2/c10-4-
    1-8(13)12-5-2-7(3-6-12)9(
    11)14/h7H,1-3,5-6H2,(H2,1
    1,14);
    QDZGVYBBITWTIU-UHFFFAOYSA-N    		 C1CN(CCC1C(=O)N)C(=O)CC#N; NC(=O)C1CCN(C
    C1)C(=O)CC#N    		 1-(2-cyanoethanoyl)piperidine-4-carboxamide
    44063
    ZPA
    ZINC000098209670    		 2 C26 H37 N3 O11 S InChI=1S/C26H37N3O11S/c27
    -17(7-4-8-41-16-9-18(31)2
    9(25(16)37)10-13-5-2-1-3-
    6-13)28-24-22(35)21(34)20
    (33)15(40-24)12-39-26-23(
    36)19(32)14(30)11-38-26/h
    1-3,5-6,14-16,19-24,26,30
    ,32-36H,4,7-12H2,(H2,27,2
    8)/t14-,15-,16-,19+,20-,2
    1+,22-,23-,24-,26+/m1/s1;
    MKGCRBLJKRCKKQ-OGJWHHEUSA-N    		 c1ccc(cc1)CN2C(=O)CC(C2=O)SCCCC(=N)NC3C(
    C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O; O[CH
    ]1CO[CH](OC[CH]2O[CH](NC(=N)CCCS[CH]3CC(
    =O)N(Cc4ccccc4)C3=O)[CH](O)[CH](O)[CH]2O
    )[CH](O)[CH]1O; O=C3N(C(=O)CC3SCCCC(=[N@
    H])NC2OC(COC1OCC(O)C(O)C1O)C(O)C(O)C2O)C
    c4ccccc4; O[C@@H]1CO[C@@H](OC[C@H]2O[C@@
    H](NC(=N)CCCS[C@@H]3CC(=O)N(Cc4ccccc4)C3
    =O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@
    H]1O; [H]/N=C(/CCCS[C@@H]1CC(=O)N(C1=O)C
    c2ccccc2)\N[C@H]3[C@@H]([C@H]([C@@H]([C@
    H](O3)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)
    O)O)O)O)O    		 4-(N-benzylsuccinimide-3-sulfanyl)-N-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)butylamidine;
    4-[(3R)-2,5-bis(oxidanylidene)-1-(phenylmethyl)pyrrolidin-3-yl]sulfanyl-N-[(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2 S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]butanimidamide
    44064
    ZPB    		 1 C13 H19 N3 O2 S InChI=1S/C13H19N3O2S/c1-1
    0(2)14-13(18)16-7-5-15(6-
    8-16)12(17)11-4-3-9-19-11
    /h3-4,9-10H,5-8H2,1-2H3,(
    H,14,18);
    HUNNMXFWKHWRFU-UHFFFAOYSA-N    		 CC(C)NC(=O)N1CCN(CC1)C(=O)c2sccc2; CC(C)
    NC(=O)N1CCN(CC1)C(=O)c2cccs2; O=C(N1CCN(
    CC1)C(=O)NC(C)C)c1cccs1    		 N-(propan-2-yl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
    44065
    ZPC
    CHEMBL250053
    ZINC000019632839    		 20 C17 H17 Cl N6 O3 InChI=1S/C17H17ClN6O3/c1-
    22-6-8-23(9-7-22)17(26)27
    -16-14-13(19-4-5-20-14)15
    (25)24(16)12-3-2-11(18)10
    -21-12/h2-5,10,16H,6-9H2,
    1H3/t16-/m1/s1;
    GBBSUAFBMRNDJC-MRXNPFEDSA-N    		 CN1CCN(CC1)C(=O)OC2c3c(nccn3)C(=O)N2c4cc
    c(cn4)Cl; O=C(OC3c1nccnc1C(=O)N3c2ncc(Cl
    )cc2)N4CCN(C)CC4; CN1CCN(CC1)C(=O)O[CH]2
    N(C(=O)c3nccnc23)c4ccc(Cl)cn4; CN1CCN(CC
    1)C(=O)O[C@@H]2c3c(nccn3)C(=O)N2c4ccc(cn
    4)Cl; CN1CCN(CC1)C(=O)O[C@H]2N(C(=O)c3nc
    cnc23)c4ccc(Cl)cn4    		 (5R)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate;
    R-ZOPICLONE
    44066
    ZPD    		 1 C39 H79 O8 P InChI=1S/C39H79O8P/c1-7-8
    -9-10-11-17-30(2)18-12-19
    -31(3)20-13-21-32(4)22-14
    -23-33(5)24-15-25-34(6)26
    -16-27-46-48(44,45)47-36-
    28-35(29-40)37(41)39(43)3
    8(36)42/h30-43H,7-29H2,1-
    6H3,(H,44,45)/t30-,31-,32
    -,33+,34-,35+,36+,37+,38+
    ,39-/m0/s1;
    IWZOWMVCZCJZJF-CFXBQQDPSA-N    		 CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C
    CCOP(=O)(O)OC1CC(C(C(C1O)O)O)CO; CCCCCCC
    [CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCC
    [CH](C)CCCO[P](O)(=O)O[CH]1C[CH](CO)[CH]
    (O)[CH](O)[CH]1O; OC1C(CC(OP(=O)(O)OCCCC
    (C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC)C
    (O)C1O)CO; CCCCCCC[C@H](C)CCC[C@H](C)CCC
    [C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCO[P](O
    )(=O)O[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)
    [C@@H]1O; CCCCCCC[C@H](C)CCC[C@H](C)CCC[
    C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCOP(=O)(
    O)O[C@@H]1C[C@@H]([C@H]([C@@H]([C@@H]1O)
    O)O)CO    		 (4S,8R,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl (1R,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl hydrogen (R)-phosphate
    44067
    ZPE    		 5 C37 H70 N O8 P InChI=1S/C37H70NO8P/c1-3-
    5-7-9-11-13-15-16-17-18-2
    0-21-23-25-27-29-36(39)43
    -33-35(34-45-47(41,42)44-
    32-31-38)46-37(40)30-28-2
    6-24-22-19-14-12-10-8-6-4
    -2/h13,15,22,24,35H,3-12,
    14,16-21,23,25-34,38H2,1-
    2H3,(H,41,42)/b15-13-,24-
    22?/t35-/m1/s1;
    SWNDXEVFPWKPGK-SPZKJSGBSA-N    		 O=C(OCC(OC(=O)CCC\C=C/CCCCCCCC)COP(=O)(O
    CCN)O)CCCCCCCCC\C=C/CCCCCC; CCCCCCCCC=CC
    CCC(=O)OC(COC(=O)CCCCCCCCCC=CCCCCCC)COP(
    =O)(O)OCCN; CCCCCCCC\C=C/CCCC(=O)O[C@H](
    COC(=O)CCCCCCCCC\C=C/CCCCCC)CO[P](O)(=O)
    OCCN; CCCCCCCCC=CCCCC(=O)O[C@H](COC(=O)C
    CCCCCCCC/C=C\CCCCCC)CO[P@@](=O)(O)OCCN;
    CCCCCCCCC=CCCCC(=O)O[CH](COC(=O)CCCCCCCC
    CC=CCCCCCC)CO[P](O)(=O)OCCN    		 (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate
    44068
    ZPF    		 2 C9 H15 N O6 InChI=1S/C9H15NO6/c1-4(12
    )10-5-6(13)7(14)9(2-11)3-
    15-8(5)16-9/h5-8,11,13-14
    H,2-3H2,1H3,(H,10,12)/t5-
    ,6-,7-,8+,9+/m1/s1;
    HXIYAFJXGOVJDG-HXLXBVJFSA-N    		 CC(=O)N[CH]1[CH](O)[CH](O)[C]2(CO)CO[CH]
    1O2; CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@
    ]2(CO)CO[C@H]1O2; C2(C(C1(COC(O1)C2NC(=O
    )C)CO)O)O; CC(=O)N[C@@H]1[C@H]([C@H]([C@
    @]2(CO[C@H]1O2)CO)O)O; CC(=O)NC1C(C(C2(C
    OC1O2)CO)O)O    		 N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
    44069
    ZPG
    ZINC000016052094    		 1 C21 H44 O8 InChI=1S/C21H44O8/c1-15(2
    2)8-24-10-17(3)26-12-19(5
    )28-14-21(7)29-13-20(6)27
    -11-18(4)25-9-16(2)23/h15
    -23H,8-14H2,1-7H3/t15-,16
    +,17+,18-,19+,20-,21+/m1/
    s1;
    XGDXHSHOQKNIEW-YSPFXGIPSA-N    		 C[C@@H](O)COC[C@H](C)OC[C@H](C)OC[C@H](C
    )OC[C@@H](C)OC[C@@H](C)OC[C@H](C)O; C[CH
    ](O)COC[CH](C)OC[CH](C)OC[CH](C)OC[CH](C
    )OC[CH](C)OC[CH](C)O; C[C@H](COC[C@H](C)
    OC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](
    C)OC[C@H](C)O)O; O(CC(O)C)C(COC(C)COC(C)
    COC(C)COC(C)COCC(O)C)C; CC(COCC(C)OCC(C)
    OCC(C)OCC(C)OCC(C)OCC(C)O)O    		 (2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL
    44070
    ZPH
    ZINC000098209673    		 0 C15 H24 N O5 P InChI=1S/C15H24NO5P/c1-11
    (2)9-14(16)22(18,19)21-13
    (15(17)20-3)10-12-7-5-4-6
    -8-12/h4-8,11,13-14H,9-10
    ,16H2,1-3H3,(H,18,19)/t13
    -,14+/m0/s1;
    MZRFVGOVBKFRCQ-UONOGXRCSA-N    		 CC(C)CC(N)P(=O)(O)OC(Cc1ccccc1)C(=O)OC;
    O=C(OC)C(OP(=O)(O)C(N)CC(C)C)Cc1ccccc1;
    CC(C)C[C@H](N)[P@@](=O)(O)O[C@@H](Cc1ccc
    cc1)C(=O)OC; COC(=O)[CH](Cc1ccccc1)O[P](
    O)(=O)[CH](N)CC(C)C; COC(=O)[C@H](Cc1ccc
    cc1)O[P](O)(=O)[C@@H](N)CC(C)C    		 methyl (2S)-2-{[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoate;
    LP(0)PHEOMe
    44071
    ZPI    		 1 C13 H12 N2 InChI=1S/C13H12N2/c14-8-9
    -4-3-6-11-10-5-1-2-7-12(1
    0)15-13(9)11/h3-4,6,15H,1
    -2,5,7H2;
    NCRVLCSQTZGLGA-UHFFFAOYSA-N    		 N#Cc1cccc2c3CCCCc3[nH]c12; c1cc(c2c(c1)c
    3c([nH]2)CCCC3)C#N    		 6,7,8,9-tetrahydro-5~{H}-carbazole-1-carbonitrile
    44072
    ZPJ
    CHEMBL4649900
    ZINC000001587860    		 1 C4 H6 O2 InChI=1S/C4H6O2/c5-4(6)3-
    1-2-3/h3H,1-2H2,(H,5,6);
    YMGUBTXCNDTFJI-UHFFFAOYSA-N    		 C1CC1C(=O)O; O=C(O)C1CC1; OC(=O)C1CC1 cyclopropanecarboxylic acid
    44073
    ZPL    		 1 C17 H22 N4 O2 S2 InChI=1S/C17H22N4O2S2/c1-
    12-13(2)25-15(19-12)5-6-1
    8-17(23)21-9-7-20(8-10-21
    )16(22)14-4-3-11-24-14/h3
    -4,11H,5-10H2,1-2H3,(H,18
    ,23);
    CIRZRFXLJYMKSE-UHFFFAOYSA-N    		 O=C(c1cccs1)N1CCN(CC1)C(=O)NCCc1nc(C)c(C
    )s1; Cc1c(sc(n1)CCNC(=O)N2CCN(CC2)C(=O)c
    3cccs3)C; Cc1sc(CCNC(=O)N2CCN(CC2)C(=O)c
    3sccc3)nc1C    		 N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
    44074
    ZPM
    CHEMBL3560137
    ZINC000001673440    		 1 C5 H8 O2 InChI=1S/C5H8O2/c6-5(7)4-
    2-1-3-4/h4H,1-3H2,(H,6,7);
    TXWOGHSRPAYOML-UHFFFAOYSA-N    		 C1CC(C1)C(=O)O; O=C(O)C1CCC1; OC(=O)C1CC
    C1    		 cyclobutanecarboxylic acid
    44075
    ZPN
    CHEMBL4289824
    ZINC000095920530    		 3 C29 H39 N O6 InChI=1S/C29H39NO6/c1-5-6
    -7-13-27(32)30-29(34)26-1
    9-22(4)18-25-17-21(3)16-2
    4(35-25)12-9-11-23(31)15-
    20(2)10-8-14-28(33)36-26/
    h5-8,10,13-14,18,24-26,29
    ,34H,3,9,11-12,15-17,19H2
    ,1-2,4H3,(H,30,32)/b6-5+,
    13-7-,14-8+,20-10-,22-18+
    /t24-,25-,26-,29-/m0/s1;
    KNEMNZWQWFRUIB-KZVIXHMTSA-N    		 CC=CC=CC(=O)NC(C1CC(=CC2CC(=C)CC(O2)CCCC
    (=O)CC(=CC=CC(=O)O1)C)C)O; C/C=C/C=C\C(=
    O)N[C@H]([C@@H]1C/C(=C/[C@@H]2CC(=C)C[C@
    @H](O2)CCCC(=O)C/C(=C\C=C\C(=O)O1)/C)/C)
    O; CC=CC=CC(=O)N[CH](O)[CH]1CC(=C[CH]2CC
    (=C)C[CH](CCCC(=O)CC(=CC=CC(=O)O1)C)O2)C
    ; O=C(/C=C\C=C\C)NC(O)C1OC(=O)C=CC=C(CC(
    =O)CCCC2OC(C=C(C)C1)CC(=C)/C2)C; C\C=C\C
    =C/C(=O)N[C@@H](O)[C@@H]1CC(=C/[C@@H]2CC
    (=C)C[C@H](CCCC(=O)CC(=C\C=C\C(=O)O1)/C)
    O2)/C    		 (2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide;
    (-)-ZAMPANOLIDE (Bound form)
    44076
    ZPO    		 0 C4 H8 N2 O2 InChI=1S/C4H8N2O2/c7-4(8)
    6-3-1-2-5-6/h5H,1-3H2,(H,
    7,8);
    FNNIAKKPBXJGNJ-UHFFFAOYSA-N    		 OC(=O)N1CCCN1; C1CNN(C1)C(=O)O; N1CCCN1C
    (O)=O    		 pyrazolidine-1-carboxylic acid
    44077
    ZPQ
    CHEMBL448008
    ZINC000024805568    		 4 C30 H54 N6 O8 S InChI=1S/C30H54N6O8S/c1-1
    7(2)11-23(25(37)12-20(7)2
    7(38)34-26(19(5)6)29(40)3
    1-14-18(3)4)32-28(39)24(1
    5-45(10,42)43)33-30(41)44
    -16-36-22(9)13-21(8)35-36
    /h13,17-20,23-26,37H,11-1
    2,14-16H2,1-10H3,(H,31,40
    )(H,32,39)(H,33,41)(H,34,
    38)/t20-,23+,24+,25+,26+/
    m1/s1;
    OFAZWNGNAATRSH-GWCXRDAXSA-N    		 Cc1cc(n(n1)COC(=O)NC(CS(=O)(=O)C)C(=O)NC
    (CC(C)C)C(CC(C)C(=O)NC(C(C)C)C(=O)NCC(C)
    C)O)C; CC(C)CNC(=O)[CH](NC(=O)[CH](C)C[C
    H](O)[CH](CC(C)C)NC(=O)[CH](C[S](C)(=O)=
    O)NC(=O)OCn1nc(C)cc1C)C(C)C; Cc1cc(n(n1)
    COC(=O)N[C@@H](CS(=O)(=O)C)C(=O)N[C@@H](
    CC(C)C)[C@H](C[C@@H](C)C(=O)N[C@@H](C(C)
    C)C(=O)NCC(C)C)O)C; CC(C)CNC(=O)[C@@H](N
    C(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O
    )[C@H](C[S](C)(=O)=O)NC(=O)OCn1nc(C)cc1C
    )C(C)C; O=C(OCn1nc(cc1C)C)NC(C(=O)NC(CC(
    C)C)C(O)CC(C(=O)NC(C(=O)NCC(C)C)C(C)C)C)
    CS(=O)(=O)C    		 N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE
    44078
    ZPR
    CHEMBL79993
    DB03535
    ZINC000003803443    		 20 C18 H22 N2 O4 InChI=1S/C18H22N2O4/c21-1
    2-15-8-4-10-19(15)17(22)1
    6-9-5-11-20(16)18(23)24-1
    3-14-6-2-1-3-7-14/h1-3,6-
    7,12,15-16H,4-5,8-11,13H2
    /t15-,16-/m0/s1;
    ORZXYSPOAVJYRU-HOTGVXAUSA-N    		 c1ccc(cc1)COC(=O)N2CCCC2C(=O)N3CCCC3C=O;
    O=C[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)OC
    c3ccccc3; O=C[CH]1CCCN1C(=O)[CH]2CCCN2C(
    =O)OCc3ccccc3; c1ccc(cc1)COC(=O)N2CCC[C@
    H]2C(=O)N3CCC[C@H]3C=O; O=C(N1C(C=O)CCC1
    )C3N(C(=O)OCc2ccccc2)CCC3    		 N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL;
    Z-PRO-PROLINAL
    44079
    ZPS
    CHEMBL1162546
    ZINC000000404340    		 6 C6 H8 O4 InChI=1S/C6H8O4/c7-4(8)6(
    5(9)10)2-1-3-6/h1-3H2,(H,
    7,8)(H,9,10);
    CCQPAEQGAVNNIA-UHFFFAOYSA-N    		 OC(=O)C1(CCC1)C(O)=O; O=C(O)C1(CCC1)C(O)
    =O; C1CC(C1)(C(=O)O)C(=O)O    		 cyclobutane-1,1-dicarboxylic acid
    44080
    ZPT    		 1 C2 H4 Cl3 Pt InChI=1S/C2H4.3ClH.Pt/c1-
    2;;;;/h1-2H2;3*1H;/q;;;;+
    2/p-3;
    LJEKXYSRMGLQBW-UHFFFAOYSA-K    		 [CH2]1=[CH2][Pt+2]1([Cl-])([Cl-])[Cl-];
    [Cl-]|[Pt++]|1(|[Cl-])(|[Cl-])|C=C|1    		 Trichloro(ethene)platinate(II);
    Zeise's salt
    44081
    ZPU    		 4 C15 H16 N2 O InChI=1S/C15H16N2O/c1-11(
    2)12-6-8-13(9-7-12)15(18)
    17-14-5-3-4-10-16-14/h3-1
    1H,1-2H3,(H,16,17,18);
    SDOPJFVCPDSIDQ-UHFFFAOYSA-N    		 CC(C)c1ccc(cc1)C(=O)Nc2ccccn2 4-propan-2-yl-~{N}-pyridin-2-yl-benzamide
    44082
    ZPV
    CHEMBL5271929    		 1 C20 H21 F N2 O5 S InChI=1S/C20H21FN2O5S/c21
    -18-12-16(6-7-17(18)20(26
    )22-13-19(24)25)29(27,28)
    23-10-8-15(9-11-23)14-4-2
    -1-3-5-14/h1-7,12,15H,8-1
    1,13H2,(H,22,26)(H,24,25);
    IOUTWRYTULEKGO-UHFFFAOYSA-N    		 O=S(=O)(c1ccc(C(=O)NCC(=O)O)c(F)c1)N1CCC
    (CC1)c1ccccc1; OC(=O)CNC(=O)c1ccc(cc1F)[
    S](=O)(=O)N2CCC(CC2)c3ccccc3; c1ccc(cc1)
    C2CCN(CC2)S(=O)(=O)c3ccc(c(c3)F)C(=O)NCC
    (=O)O    		 N-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine
    44083
    ZPX
    ZINC000098209674    		 1 C31 H34 F N5 O5 S InChI=1S/C31H34FN5O5S/c1-
    21(23-10-12-26(32)13-11-2
    3)34-30(39)24-17-25(19-27
    (18-24)36(2)43(3,41)42)31
    (40)35-28(16-22-8-5-4-6-9
    -22)29(38)20-37-15-7-14-3
    3-37/h4-15,17-19,21,28-29
    ,38H,16,20H2,1-3H3,(H,34,
    39)(H,35,40)/t21-,28+,29+
    /m1/s1;
    YTBFVFURRJQMRL-AUDJAPFVSA-N    		 C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)
    S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@H](
    Cn4cccn4)O; CC(c1ccc(cc1)F)NC(=O)c2cc(cc
    (c2)N(C)S(=O)(=O)C)C(=O)NC(Cc3ccccc3)C(C
    n4cccn4)O; C[CH](NC(=O)c1cc(cc(c1)C(=O)N
    [CH](Cc2ccccc2)[CH](O)Cn3cccn3)N(C)[S](C
    )(=O)=O)c4ccc(F)cc4; Fc1ccc(cc1)C(NC(=O)
    c2cc(cc(N(C)S(=O)(=O)C)c2)C(=O)NC(C(O)Cn
    3nccc3)Cc4ccccc4)C; C[C@@H](NC(=O)c1cc(c
    c(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)Cn3
    cccn3)N(C)[S](C)(=O)=O)c4ccc(F)cc4    		 N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-1-phenyl-4-(1H-pyrazol-1-yl)butan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide
    44084
    ZPY
    ZINC000098209675    		 1 C34 H38 F N5 O7 S InChI=1S/C34H38FN5O7S/c1-
    5-47-34(44)27-19-36-40(20
    -27)21-31(41)30(15-23-9-7
    -6-8-10-23)38-33(43)26-16
    -25(17-29(18-26)39(3)48(4
    ,45)46)32(42)37-22(2)24-1
    1-13-28(35)14-12-24/h6-14
    ,16-20,22,30-31,41H,5,15,
    21H2,1-4H3,(H,37,42)(H,38
    ,43)/t22-,30+,31+/m1/s1;
    MTFQLBNDNYIGHD-OJXBSAKDSA-N    		 CCOC(=O)c1cnn(C[CH](O)[CH](Cc2ccccc2)NC(
    =O)c3cc(cc(c3)C(=O)N[CH](C)c4ccc(F)cc4)N
    (C)[S](C)(=O)=O)c1; Fc1ccc(cc1)C(NC(=O)c
    2cc(cc(N(C)S(=O)(=O)C)c2)C(=O)NC(C(O)Cn3
    ncc(C(=O)OCC)c3)Cc4ccccc4)C; CCOC(=O)c1c
    nn(c1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)c3cc
    (cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4cc
    c(cc4)F)O; CCOC(=O)c1cnn(C[C@H](O)[C@H](
    Cc2ccccc2)NC(=O)c3cc(cc(c3)C(=O)N[C@H](C
    )c4ccc(F)cc4)N(C)[S](C)(=O)=O)c1; CCOC(=
    O)c1cnn(c1)CC(C(Cc2ccccc2)NC(=O)c3cc(cc(
    c3)N(C)S(=O)(=O)C)C(=O)NC(C)c4ccc(cc4)F)
    O    		 ethyl 1-{(2S,3S)-3-[(3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoyl)amino]-2-hydroxy-4-phenylbutyl}-1H-pyrazole-4-carboxylate
    44085
    ZPZ
    ZINC000098209676    		 1 C32 H37 F N6 O6 S InChI=1S/C32H37FN6O6S/c1-
    20(23-10-12-26(33)13-11-2
    3)34-31(42)24-15-25(17-27
    (16-24)38(3)46(4,44)45)32
    (43)35-28(14-22-8-6-5-7-9
    -22)30(41)19-39-18-29(21(
    2)40)36-37-39/h5-13,15-18
    ,20-21,28,30,40-41H,14,19
    H2,1-4H3,(H,34,42)(H,35,4
    3)/t20-,21+,28+,30+/m1/s1;
    CUYAHRWSXUTTQB-PELBXYKSSA-N    		 C[CH](O)c1cn(C[CH](O)[CH](Cc2ccccc2)NC(=
    O)c3cc(cc(c3)C(=O)N[CH](C)c4ccc(F)cc4)N(
    C)[S](C)(=O)=O)nn1; C[C@H](O)c1cn(C[C@H]
    (O)[C@H](Cc2ccccc2)NC(=O)c3cc(cc(c3)C(=O
    )N[C@H](C)c4ccc(F)cc4)N(C)[S](C)(=O)=O)n
    n1; CC(c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)
    S(=O)(=O)C)C(=O)NC(Cc3ccccc3)C(Cn4cc(nn4
    )C(C)O)O; C[C@H](c1ccc(cc1)F)NC(=O)c2cc(
    cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccc
    cc3)[C@H](Cn4cc(nn4)[C@H](C)O)O; Fc1ccc(
    cc1)C(NC(=O)c2cc(cc(N(C)S(=O)(=O)C)c2)C(
    =O)NC(C(O)Cn3nnc(c3)C(O)C)Cc4ccccc4)C    		 N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-4-{4-[(1S)-1-hydroxyethyl]-1H-1,2,3-triazol-1-yl}-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide
    44086
    ZQ0    		 1 C15 H23 N3 O3 InChI=1S/C15H23N3O3/c1-3-
    4-7-16-15(20)18-10-8-17(9
    -11-18)14(19)13-6-5-12(2)
    21-13/h5-6H,3-4,7-11H2,1-
    2H3,(H,16,20);
    PXQNPAFJUFSQDI-UHFFFAOYSA-N    		 CCCCNC(=O)N1CCN(CC1)C(=O)c2oc(C)cc2; Cc1
    ccc(o1)C(=O)N1CCN(CC1)C(=O)NCCCC; CCCCNC
    (=O)N1CCN(CC1)C(=O)c2ccc(o2)C    		 N-butyl-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
    44087
    ZQ1
    CHEMBL5278336    		 1 C19 H20 Cl N3 O5 S InChI=1S/C19H20ClN3O5S/c2
    0-15-3-1-13(2-4-15)14-7-9
    -23(10-8-14)29(27,28)16-5
    -6-17(21-11-16)19(26)22-1
    2-18(24)25/h1-6,11,14H,7-
    10,12H2,(H,22,26)(H,24,25
    );
    HIWYRXWPCQHOSO-UHFFFAOYSA-N    		 c1cc(ccc1C2CCN(CC2)S(=O)(=O)c3ccc(nc3)C(
    =O)NCC(=O)O)Cl; OC(=O)CNC(=O)c1ccc(cn1)[
    S](=O)(=O)N2CCC(CC2)c3ccc(Cl)cc3; O=S(=O
    )(c1ccc(nc1)C(=O)NCC(=O)O)N1CCC(CC1)c1cc
    c(Cl)cc1    		 N-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine
    44088
    ZQ2    		 1 C15 H16 N2 O2 Ru2 InChI=1S/C13H12N2.C2H4O2.
    2Ru/c1-3-7-12(8-4-1)14-11
    -15-13-9-5-2-6-10-13;1-2(
    3)4;;/h1-10H,11H2;2H,1H3;
    ;/q2*-2;2*+2;
    HYYYEFNDCLICTP-UHFFFAOYSA-N    		 CC1O[Ru]2N(CN([Ru]2O1)c3ccccc3)c4ccccc4;
    CC1O[Ru]N(CN([Ru]O1)c2ccccc2)c3ccccc3    		 [Ru2(N,N'-bis(4-fluorophenyl)formamidinate)(1,1-ethanediol);
    3-methyl-6,8-diphenyl-2,4-dioxa-6,8-diaza-1$l^{3},5$l^{3}-diruthenabicyclo[3.3.0]octane
    44089
    ZQ4    		 1 C39 H79 O8 P InChI=1S/C39H79O8P/c1-7-8
    -9-10-11-17-30(2)18-12-19
    -31(3)20-13-21-32(4)22-14
    -23-33(5)24-15-25-34(6)26
    -16-27-46-48(44,45)29-36-
    38(42)39(43)37(41)35(28-4
    0)47-36/h30-43H,7-29H2,1-
    6H3,(H,44,45)/t30-,31+,32
    +,33-,34+,35+,36-,37+,38+
    ,39-/m0/s1;
    LLTWLOYZJCWIOT-JWDSMAJRSA-N    		 CCCCCCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)C
    CC[C@H](C)CCC[C@@H](C)CCCOP(=O)(C[C@H]1[
    C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O; C
    CCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CC
    COP(=O)(CC1C(C(C(C(O1)CO)O)O)O)O; CCCCCC
    C[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CC
    C[CH](C)CCCO[P](O)(=O)C[CH]1O[CH](CO)[CH
    ](O)[CH](O)[CH]1O; CCCCCCC[C@H](C)CCC[C@
    @H](C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C
    )CCCO[P](O)(=O)C[C@@H]1O[C@H](CO)[C@@H](
    O)[C@H](O)[C@@H]1O; OP(=O)(CC1OC(CO)C(O)
    C(O)C1O)OCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC
    C(C)CCCCCCC    		 2,6-anhydro-1-deoxy-1-[(S)-hydroxy{[(4R,8S,12R,16R,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol
    44090
    ZQ5    		 1 C14 H21 N3 O2 S InChI=1S/C14H21N3O2S/c1-2
    -3-6-15-14(19)17-9-7-16(8
    -10-17)13(18)12-5-4-11-20
    -12/h4-5,11H,2-3,6-10H2,1
    H3,(H,15,19);
    KQCWSCBKZIBMBD-UHFFFAOYSA-N    		 O=C(N1CCN(CC1)C(=O)NCCCC)c1cccs1; CCCCNC
    (=O)N1CCN(CC1)C(=O)c2sccc2; CCCCNC(=O)N1
    CCN(CC1)C(=O)c2cccs2    		 N-butyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
    44091
    ZQ6    		 1 C23 H32 N6 O2 InChI=1S/C23H32N6O2/c1-15
    (2)18-13-27-29-22(26-12-1
    7-6-4-5-7-20(17)31-3)10-2
    1(28-23(18)29)25-11-16-8-
    9-24-14-19(16)30/h4-7,10,
    13,15-16,19,24,26,30H,8-9
    ,11-12,14H2,1-3H3,(H,25,2
    8)/t16-,19+/m1/s1;
    RYZYAFQBJREEFR-APWZRJJASA-N    		 CC(C)c1cnn2c1nc(cc2NCc3ccccc3OC)NC[C@H]4
    CCNC[C@@H]4O; CC(C)c1cnn2c1nc(cc2NCc3ccc
    cc3OC)NCC4CCNCC4O; COc1ccccc1CNc2cc(NC[C
    @H]3CCNC[C@@H]3O)nc4n2ncc4C(C)C; COc1ccc
    cc1CNc2cc(NC[CH]3CCNC[CH]3O)nc4n2ncc4C(C
    )C    		 (3~{R},4~{R})-4-[[[7-[(2-methoxyphenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
    44092
    ZQ7    		 1 C39 H77 F2 O8 P InChI=1S/C39H77F2O8P/c1-7
    -8-9-10-11-17-29(2)18-12-
    19-30(3)20-13-21-31(4)22-
    14-23-32(5)24-15-25-33(6)
    26-16-27-48-50(46,47)39(4
    0,41)38-37(45)36(44)35(43
    )34(28-42)49-38/h29-38,42
    -45H,7-28H2,1-6H3,(H,46,4
    7)/t29-,30-,31-,32-,33-,3
    4+,35+,36-,37-,38+/m0/s1;
    WLSJJMZOYIFPGE-ICHHDKBFSA-N    		 CCCCCCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH
    ](C)CCC[CH](C)CCCO[P](O)(=O)C(F)(F)[CH]1
    O[CH](CO)[CH](O)[CH](O)[CH]1O; CCCCCCC[C
    @H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C
    CC[C@H](C)CCCOP(=O)(C([C@H]1[C@H]([C@H](
    [C@@H]([C@H](O1)CO)O)O)O)(F)F)O; CCCCCCC
    [C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C
    )CCC[C@H](C)CCCO[P](O)(=O)C(F)(F)[C@@H]1
    O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O; OP(
    =O)(OCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)
    CCCCCCC)C(F)(F)C1OC(CO)C(O)C(O)C1O; CCCC
    CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP
    (=O)(C(C1C(C(C(C(O1)CO)O)O)O)(F)F)O    		 2,6-anhydro-1-deoxy-1,1-difluoro-1-[(R)-hydroxy{[(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol
    44093
    ZQ9    		 1 C15 H17 N3 O2 S2 InChI=1S/C15H17N3O2S2/c19
    -14(13-4-2-10-22-13)17-5-
    7-18(8-6-17)15(20)16-11-1
    2-3-1-9-21-12/h1-4,9-10H,
    5-8,11H2,(H,16,20);
    SEJPAIIMDWAFGL-UHFFFAOYSA-N    		 c1cc(sc1)CNC(=O)N2CCN(CC2)C(=O)c3cccs3;
    O=C(NCc1sccc1)N2CCN(CC2)C(=O)c3sccc3; O=
    C(NCc1cccs1)N1CCN(CC1)C(=O)c1cccs1    		 4-(thiophene-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide
    44094
    ZQA
    ZINC000098095630    		 4 C8 H9 N3 S InChI=1S/C8H9N3S/c1-2-6-4
    -12-8(11-6)7-3-9-5-10-7/h
    3-5H,2H2,1H3,(H,9,10);
    RXFWINHPQUVOEC-UHFFFAOYSA-N    		 CCc1csc(n1)c2[nH]cnc2; CCc1csc(n1)c1[NH]
    cnc1; CCc1csc(n1)c2cnc[nH]2    		 4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole
    44095
    ZQB    		 2 C23 H28 Cl N5 O3 InChI=1S/C23H28ClN5O3/c24
    -17-5-1-3-14-11-19(28-20(
    14)17)23(32)29-18(9-13-6-
    7-13)22(31)27-16(12-25)10
    -15-4-2-8-26-21(15)30/h1,
    3,5,11-13,15-16,18,25,28H
    ,2,4,6-10H2,(H,26,30)(H,2
    7,31)(H,29,32)/b25-12-/t1
    5-,16-,18-/m0/s1;
    IOEBZYOQTDUOBG-UZWGZPNFSA-N    		 Clc1cccc2cc([nH]c12)C(=O)N[C@@H](CC3CC3)
    C(=O)N[C@@H](C[C@@H]4CCCNC4=O)C=N; Clc1c
    ccc2cc([NH]c21)C(=O)NC(CC1CC1)C(=O)NC(CC
    1CCCNC1=O)C=N; c1cc2cc([nH]c2c(c1)Cl)C(=
    O)NC(CC3CC3)C(=O)NC(CC4CCCNC4=O)C=N; [H]
    /N=C\[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](
    CC2CC2)NC(=O)c3cc4cccc(c4[nH]3)Cl; Clc1c
    ccc2cc([nH]c12)C(=O)N[CH](CC3CC3)C(=O)N[
    CH](C[CH]4CCCNC4=O)C=N    		 Pomotrelvir bound form
    44096
    ZQC
    CHEMBL2098466
    ZINC000004303515    		 1 C16 H13 N3 O S2 InChI=1S/C16H13N3OS2/c1-2
    1-12-7-5-11(6-8-12)15(20)
    19-16-18-14(10-22-16)13-4
    -2-3-9-17-13/h2-10H,1H3,(
    H,18,19,20);
    NZGXQIAKLVEMPP-UHFFFAOYSA-N    		 CSc1ccc(cc1)C(=O)Nc2scc(n2)c3ccccn3; CSc
    1ccc(cc1)C(=O)Nc2nc(cs2)c3ccccn3    		 4-methylsulfanyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
    44097
    ZQD
    ZINC000035511211    		 2 C9 H14 N2 O3 S InChI=1S/C9H14N2O3S/c1-7-
    6-8(10-14-7)9-4-3-5-11(9)
    15(2,12)13/h6,9H,3-5H2,1-
    2H3/t9-/m0/s1;
    IUKADXXFBFQTOO-VIFPVBQESA-N    		 Cc1cc(no1)C2CCCN2S(=O)(=O)C; Cc1onc(c1)[
    CH]2CCCN2[S](C)(=O)=O; Cc1onc(c1)[C@@H]2
    CCCN2[S](C)(=O)=O; CS(=O)(=O)N1CCCC1c1cc
    (C)on1; Cc1cc(no1)[C@@H]2CCCN2S(=O)(=O)C    		 3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole
    44098
    ZQF    		 2 C38 H42 N4 O10 S2 InChI=1S/C38H42N4O10S2/c1
    -3-5-7-25-9-15-29(16-10-2
    5)53(49,50)41-33-19-13-27
    (23-31(33)37(45)46)36(44)
    39-22-21-35(43)40-28-14-2
    0-34(32(24-28)38(47)48)42
    -54(51,52)30-17-11-26(12-
    18-30)8-6-4-2/h9-20,23-24
    ,41-42H,3-8,21-22H2,1-2H3
    ,(H,39,44)(H,40,43)(H,45,
    46)(H,47,48);
    SXEMELNAPRMMRT-UHFFFAOYSA-N    		 CCCCc1ccc(cc1)[S](=O)(=O)Nc2ccc(NC(=O)CC
    NC(=O)c3ccc(N[S](=O)(=O)c4ccc(CCCC)cc4)c
    (c3)C(O)=O)cc2C(O)=O; CCCCc1ccc(cc1)S(=O
    )(=O)Nc2ccc(cc2C(=O)O)C(=O)NCCC(=O)Nc3cc
    c(c(c3)C(=O)O)NS(=O)(=O)c4ccc(cc4)CCCC;
    O=S(=O)(Nc1ccc(NC(=O)CCNC(=O)c2ccc(NS(=O
    )(=O)c3ccc(CCCC)cc3)c(c2)C(=O)O)cc1C(=O)
    O)c1ccc(CCCC)cc1    		 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid
    44099
    ZQG
    ZINC000036912373    		 1 C6 H11 N3 InChI=1S/C6H11N3/c7-3-1-2
    -6-8-4-5-9-6/h4-5H,1-3,7H
    2,(H,8,9);
    HQNOODJDSFSURF-UHFFFAOYSA-N    		 c1cnc([nH]1)CCCN; NCCCc1ncc[NH]1; NCCCc1
    [nH]ccn1    		 3-(1H-imidazol-2-yl)propan-1-amine
    44100
    ZQH    		 2 C32 H40 N2 O InChI=1S/C32H40N2O/c1-30(
    2)22-34(16-15-28(30)33)29
    (35)32-19-24-17-31(21-32,
    26-11-7-4-8-12-26)18-25(2
    0-32)27(24)14-13-23-9-5-3
    -6-10-23/h3-12,14,24-25,2
    8H,13,15-22,33H2,1-2H3/b2
    7-14-/t24-,25+,28+,31+,32
    -/m0/s1;
    ZJCVPSYUNWYDCW-JDHUQGDGSA-N    		 CC1(C)CN(CCC1N)C(=O)C12CC\3CC(CC(C1)C/3=
    C\Cc1ccccc1)(C2)c1ccccc1; CC1(CN(CC[C@H]
    1N)C(=O)C23C[C@H]4CC(C2)(C[C@@H](C3)C4=C
    Cc5ccccc5)c6ccccc6)C; CC1(C)CN(CC[CH]1N)
    C(=O)C23C[CH]4C[C](C[CH](C2)[C]4=[CH]Cc5
    ccccc5)(C3)c6ccccc6; CC1(CN(CCC1N)C(=O)C
    23CC4CC(C2)(CC(C3)C4=CCc5ccccc5)c6ccccc6
    )C; CC1(C)CN(CC[C@H]1N)C(=O)C23C[C@H]4C[
    C](C[C@@H](C2)[C@@]4=[CH]Cc5ccccc5)(C3)c
    6ccccc6    		 [(4R)-4-amino-3,3-dimethylpiperidin-1-yl][(1S,3R,5R,6Z,7S)-3-phenyl-6-(2-phenylethylidene)adamantan-1-yl]methanone
    44101
    ZQJ
    ZINC000063169781    		 2 C8 H11 N3 O InChI=1S/C8H11N3O/c1-11-8
    (12)4-6-5-9-3-2-7(6)10-11
    /h4,9H,2-3,5H2,1H3;
    VQKHNWPVBIRRNP-UHFFFAOYSA-N    		 CN1C(=O)C=C2CNCCC2=N1; CN1N=C2CCNCC2=CC1
    =O; O=C1C=C2CNCCC2=NN1C    		 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one
    44102
    ZQK
    CHEMBL4595493
    ZINC000005764525    		 0 C19 H28 O5 S InChI=1S/C19H28O5S/c1-18-
    9-7-13(24-25(21,22)23)11-
    12(18)3-4-14-15-5-6-17(20
    )19(15,2)10-8-16(14)18/h3
    ,13-16H,4-11H2,1-2H3,(H,2
    1,22,23)/t13-,14+,15+,16+
    ,18+,19+/m1/s1;
    CZWCKYRVOZZJNM-HKQXQEGQSA-N    		 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4
    [C@@]3(CC[C@H](C4)OS(=O)(=O)O)C; C[C]12C
    C[CH]3[CH](CC=C4C[CH](CC[C]34C)O[S](O)(=
    O)=O)[CH]1CCC2=O; C[C@]12CC[C@H]3[C@@H](
    CC=C4C[C@@H](CC[C@]34C)O[S](O)(=O)=O)[C@
    @H]1CCC2=O; CC12CCC3C(C1CCC2=O)CC=C4C3(C
    CC(C4)OS(=O)(=O)O)C; O=S(=O)(O)OC1CCC2(C
    )C3CCC4(C)C(CCC4=O)C3CC=C2C1    		 Dehydroepiandrosterone sulfate;
    17-oxo-14beta-androst-5-en-3beta-yl hydrogen sulfate
    44103
    ZQM    		 1 C10 H14 N2 O S InChI=1S/C10H14N2OS/c1-7(
    2)14-9-6-4-3-5-8(9)12-10(
    11)13/h3-7H,1-2H3,(H3,11,
    12,13);
    JMNHFNZOQMCQHZ-UHFFFAOYSA-N    		 CC(C)Sc1ccccc1NC(=O)N; CC(C)Sc1ccccc1NC(
    N)=O    		 N-{2-[(propan-2-yl)sulfanyl]phenyl}urea
    44104
    ZQN    		 0 C10 H19 N O4 InChI=1S/C10H19NO4/c1-6(2
    )7(8(12)13)11-9(14)15-10(
    3,4)5/h6-7H,1-5H3,(H,11,1
    4)(H,12,13)/t7-/m0/s1;
    SZXBQTSZISFIAO-ZETCQYMHSA-N    		 CC(C)C(C(=O)O)NC(=O)OC(C)(C)C; CC(C)[CH]
    (NC(=O)OC(C)(C)C)C(O)=O; CC(C)[C@H](NC(=
    O)OC(C)(C)C)C(O)=O    		 N-(TERT-BUTYLOXYCARBONYL)-VALINE;
    N-BOC-VALINE
    44105
    ZQQ    		 0 C25 H35 N9 O4 InChI=1S/C25H35N9O4/c1-31
    (2)11-6-8-26-21(35)7-9-28
    -23(36)19-13-17(15-33(19)
    4)29-24(37)20-14-18(16-34
    (20)5)30-25(38)22-27-10-1
    2-32(22)3/h10,12-16H,6-9,
    11H2,1-5H3,(H,26,35)(H,28
    ,36)(H,29,37)(H,30,38);
    GXOSUFJCHMSUFC-UHFFFAOYSA-N    		 CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC
    (=O)c3nccn3C)cn2C)cn1C; O=C(Nc1cc(C(=O)N
    c2cc(C(=O)NCCC(=O)NCCCN(C)C)n(C)c2)n(C)c
    1)c1nccn1C; Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(
    =O)Nc3cc(n(c3)C)C(=O)NCCC(=O)NCCCN(C)C    		 N-[5-({5-[(3-{[3-(dimethylamino)propyl]amino}-3-oxopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-1-methyl-1H-imidazole-2-carboxamide
    44106
    ZQS
    CHEMBL5095827    		 2 C14 H15 N5 S2 InChI=1S/C14H15N5S2/c15-1
    2-18-14(11-3-1-6-20-11)9-
    19(7-10(14)8-21-12)13-16-
    4-2-5-17-13/h1-6,10H,7-9H
    2,(H2,15,18)/t10-,14-/m0/
    s1;
    GFWNXZDRVLVYFN-HZMBPMFUSA-N    		 NC1=NC2(CN(CC2CS1)c1ncccn1)c1cccs1; c1cc
    (sc1)C23CN(CC2CSC(=N3)N)c4ncccn4; NC1=N[
    C@]2(CN(C[C@H]2CS1)c3ncccn3)c4sccc4; NC1
    =N[C]2(CN(C[CH]2CS1)c3ncccn3)c4sccc4; c1
    cc(sc1)[C@]23CN(C[C@H]2CSC(=N3)N)c4ncccn
    4    		 (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
    44107
    ZQT    		 2 C13 H10 O5 InChI=1S/C13H10O5/c14-6-1
    -10(16)8-5-9-11(17)2-7(15
    )4-13(9)18-12(8)3-6/h1-4,
    14-17H,5H2;
    WRWDLBILCDUPOS-UHFFFAOYSA-N    		 Oc1cc(O)c2Cc3c(O)cc(O)cc3Oc2c1; c1c(cc2c
    (c1O)Cc3c(cc(cc3O2)O)O)O; Oc1cc(O)cc2Oc3
    cc(O)cc(O)c3Cc21    		 9H-xanthene-1,3,6,8-tetrol
    44108
    ZQU
    CHEMBL444172
    DB06191
    ZINC000100029945    		 6 C32 H31 F2 N3 O2 InChI=1S/C32H31F2N3O2/c33
    -32(34)29-22-7-1-3-9-24(2
    2)31(25-10-4-2-8-23(25)30
    (29)32)37-17-15-36(16-18-
    37)19-21(38)20-39-28-13-5
    -12-27-26(28)11-6-14-35-2
    7/h1-14,21,29-31,38H,15-2
    0H2/t21-,29-,30+,31-/m1/s
    1;
    IHOVFYSQUDPMCN-DBEBIPAYSA-N    		 O[CH](COc1cccc2ncccc12)CN3CCN(CC3)C4c5cc
    ccc5[CH]6[CH](c7ccccc47)C6(F)F; O[C@@H](
    COc1cccc2ncccc12)CN3CCN(CC3)C4c5ccccc5[C
    @@H]6[C@H](c7ccccc47)C6(F)F; c1ccc2c(c1)
    [C@@H]3[C@@H](C3(F)F)c4ccccc4C2N5CCN(CC5
    )C[C@H](COc6cccc7c6cccn7)O; c1ccc2c(c1)C
    (c3ccccc3C4C2C4(F)F)N5CCN(CC5)CC(COc6ccc
    c7c6cccn7)O    		 Zosuquidar
    44109
    ZQV    		 4 C28 H25 Cl N4 O4 InChI=1S/C28H25ClN4O4/c1-
    15-3-12-21(13-22(15)27(35
    )36)37-28-31-24-14-23(29)
    25(32-26(24)33-28)19-6-4-
    17(5-7-19)18-8-10-20(11-9
    -18)30-16(2)34/h3-8,12-14
    ,20H,9-11H2,1-2H3,(H,30,3
    4)(H,35,36)(H,31,32,33)/t
    20-/m0/s1;
    DYYYOJWTTPYOIK-FQEVSTJZSA-N    		 CC(=O)N[CH]1CCC(=CC1)c2ccc(cc2)c3nc4nc([
    nH]c4cc3Cl)Oc5ccc(C)c(c5)C(O)=O; CC(=O)N
    C1CC=C(CC1)c1ccc(cc1)c1nc2nc(Oc3cc(C(=O)
    O)c(C)cc3)[NH]c2cc1Cl; Cc1ccc(cc1C(=O)O)
    Oc2[nH]c3cc(c(nc3n2)c4ccc(cc4)C5=CCC(CC5
    )NC(=O)C)Cl; CC(=O)N[C@@H]1CCC(=CC1)c2cc
    c(cc2)c3nc4nc([nH]c4cc3Cl)Oc5ccc(C)c(c5)
    C(O)=O; Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(n
    c3n2)c4ccc(cc4)C5=CC[C@@H](CC5)NC(=O)C)C
    l    		 5-({5-[(4'R)-4'-acetamido-2',3',4',5'-tetrahydro[1,1'-biphenyl]-4-yl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl}oxy)-2-methylbenzoic acid
    44110
    ZQW    		 6 C28 H24 N2 O5 InChI=1S/C28H24N2O5/c31-2
    6(32)18-17-24(30-27(33)22
    -14-8-10-19-9-4-5-13-21(1
    9)22)28(34)29-23-15-6-7-1
    6-25(23)35-20-11-2-1-3-12
    -20/h1-16,24H,17-18H2,(H,
    29,34)(H,30,33)(H,31,32)/
    t24-/m0/s1;
    IIQXEGLQYMXTEV-DEOSSOPVSA-N    		 c1ccc(cc1)Oc2ccccc2NC(=O)C(CCC(=O)O)NC(=
    O)c3cccc4c3cccc4; OC(=O)CC[CH](NC(=O)c1c
    ccc2ccccc12)C(=O)Nc3ccccc3Oc4ccccc4; O=C
    (O)CCC(NC(=O)c1cccc2ccccc21)C(=O)Nc1cccc
    c1Oc1ccccc1; OC(=O)CC[C@H](NC(=O)c1cccc2
    ccccc12)C(=O)Nc3ccccc3Oc4ccccc4; c1ccc(c
    c1)Oc2ccccc2NC(=O)[C@H](CCC(=O)O)NC(=O)c
    3cccc4c3cccc4    		 N~2~-(naphthalene-1-carbonyl)-N-(2-phenoxyphenyl)-L-alpha-glutamine
    44111
    ZQY    		 2 C20 H23 N7 O2 S InChI=1S/C20H23N7O2S/c1-3
    -4-15-11-16-18(22-20(28-2
    )23-19(16)30-15)21-10-9-1
    3-5-7-14(8-6-13)29-12-17-
    24-26-27-25-17/h5-8,11H,3
    -4,9-10,12H2,1-2H3,(H,21,
    22,23)(H,24,25,26,27);
    ACCUSJFCOLLWHH-UHFFFAOYSA-N    		 CCCc1cc2c(nc(nc2s1)OC)NCCc3ccc(cc3)OCc4[
    nH]nnn4; CCCc1sc2nc(OC)nc(NCCc3ccc(OCc4[
    nH]nnn4)cc3)c2c1; COc1nc(NCCc2ccc(OCc3nn
    n[NH]3)cc2)c2cc(CCC)sc2n1    		 2-methoxy-6-propyl-N-(2-{4-[(1H-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine
    44112
    ZQZ    		 6 C29 H26 N2 O6 InChI=1S/C29H26N2O6/c1-36
    -20-10-7-11-21(18-20)37-2
    6-15-5-4-14-24(26)30-29(3
    5)25(16-17-27(32)33)31-28
    (34)23-13-6-9-19-8-2-3-12
    -22(19)23/h2-15,18,25H,16
    -17H2,1H3,(H,30,35)(H,31,
    34)(H,32,33)/t25-/m0/s1;
    VIOMNVLHIQNNOJ-VWLOTQADSA-N    		 COc1cccc(Oc2ccccc2NC(=O)[CH](CCC(O)=O)NC
    (=O)c3cccc4ccccc34)c1; COc1cccc(Oc2ccccc
    2NC(=O)[C@H](CCC(O)=O)NC(=O)c3cccc4ccccc
    34)c1; COc1cccc(c1)Oc2ccccc2NC(=O)[C@H](
    CCC(=O)O)NC(=O)c3cccc4c3cccc4; O=C(O)CCC
    (NC(=O)c1cccc2ccccc21)C(=O)Nc1ccccc1Oc1c
    c(OC)ccc1; COc1cccc(c1)Oc2ccccc2NC(=O)C(
    CCC(=O)O)NC(=O)c3cccc4c3cccc4    		 N-[2-(3-methoxyphenoxy)phenyl]-N~2~-(naphthalene-1-carbonyl)-L-alpha-glutamine
    44113
    ZR    		 0 Zr InChI=1S/Zr/q+4;
    GBNDTYKAOXLLID-UHFFFAOYSA-N    		 [Zr+4] ZIRCONIUM ION
    44114
    ZR0    		 1 C8 H5 Br O4 InChI=1S/C8H5BrO4/c9-6-2-
    1-4(7(10)11)3-5(6)8(12)13
    /h1-3H,(H,10,11)(H,12,13);
    MSQIEZXCNYUWHN-UHFFFAOYSA-N    		 OC(=O)c1cc(ccc1Br)C(=O)O; OC(=O)c1ccc(Br
    )c(c1)C(O)=O; c1cc(c(cc1C(=O)O)C(=O)O)Br    		 4-bromobenzene-1,3-dicarboxylic acid
    44115
    ZR1
    CHEMBL4563402    		 2 C22 H23 F3 N4 O3 InChI=1S/C22H23F3N4O3/c1-
    10-11-3-5-29(22(11)28-9-2
    7-10)15-7-17(20(31)19(15)
    30)32-16-6-13(21(24)25)18
    (23)12-2-4-26-8-14(12)16/
    h3,5-6,9,15,17,19-21,26,3
    0-31H,2,4,7-8H2,1H3/t15-,
    17+,19+,20-/m1/s1;
    HBGHQRGHFNTSDP-DJABAAGCSA-N    		 Cc1c2ccn(c2ncn1)[C@@H]3C[C@@H]([C@H]([C@
    H]3O)O)Oc4cc(c(c5c4CNCC5)F)C(F)F; FC(F)c
    1cc(OC2CC(C(O)C2O)n2ccc3c(C)ncnc32)c2CNC
    Cc2c1F; Cc1ncnc2n(ccc12)[C@@H]3C[C@H](Oc
    4cc(C(F)F)c(F)c5CCNCc45)[C@@H](O)[C@H]3O
    ; Cc1c2ccn(c2ncn1)C3CC(C(C3O)O)Oc4cc(c(c
    5c4CNCC5)F)C(F)F; Cc1ncnc2n(ccc12)[CH]3C
    [CH](Oc4cc(C(F)F)c(F)c5CCNCc45)[CH](O)[C
    H]3O    		 (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
    44116
    ZR2    		 1 C78 H152 O9 InChI=1S/C78H152O9/c1-5-7
    -9-11-13-15-17-24-32-38-4
    4-50-56-62-70(77(83)86-66
    -73-74(80)75(81)76(82)78(
    84)87-73)71(79)63-57-51-4
    5-39-33-27-21-19-20-25-30
    -36-42-48-54-60-68-65-69(
    68)61-55-49-43-37-31-26-2
    2-23-28-34-40-46-52-58-64
    -72(85-4)67(3)59-53-47-41
    -35-29-18-16-14-12-10-8-6
    -2/h67-76,78-82,84H,5-66H
    2,1-4H3/t67-,68-,69+,70-,
    71-,72-,73+,74-,75-,76+,7
    8-/m1/s1;
    ALFANZHAIQQPQB-RYNSOJLXSA-N    		 CCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCC
    CCCCC[C@@H]1C[C@@H]1CCCCCCCCCCCCCCCC[C@H
    ]([C@H](C)CCCCCCCCCCCCCC)OC)O)C(=O)OC[C@
    H]2[C@H]([C@H]([C@@H]([C@@H](O2)O)O)O)O;
    CCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCC1C
    C1CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCC)O
    C)O)C(=O)OCC2C(C(C(C(O2)O)O)O)O; CCCCCCC
    CCCCCCCC[C@H]([C@H](O)CCCCCCCCCCCCCCCCC[
    C@@H]1C[C@@H]1CCCCCCCCCCCCCCCC[C@@H](OC)
    [C@H](C)CCCCCCCCCCCCCC)C(=O)OC[C@@H]2O[C
    @@H](O)[C@@H](O)[C@H](O)[C@@H]2O; CCCCCC
    CCCCCCCCC[CH]([CH](O)CCCCCCCCCCCCCCCCC[C
    H]1C[CH]1CCCCCCCCCCCCCCCC[CH](OC)[CH](C)
    CCCCCCCCCCCCCC)C(=O)OC[CH]2O[CH](O)[CH](
    O)[CH](O)[CH]2O; OC1C(O)C(COC(=O)C(CCCCC
    CCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCC2CC2CCC
    CCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCC)OC(
    O)C1O    		 6-O-[(2R,3R)-3-hydroxy-20-{(1R,2S)-2-[(17R,18R)-17-methoxy-18-methyldotriacontyl]cyclopropyl}-2-pentadecylicosanoyl]-alpha-L-galactopyranose
    44117
    ZR3    		 9 C10 H9 Cl N2 O3 InChI=1S/C10H9ClN2O3/c11-
    8-2-1-6(5-7(8)9(14)15)13-
    4-3-12-10(13)16/h1-2,5H,3
    -4H2,(H,12,16)(H,14,15);
    RYLWJXSPVCHJTQ-UHFFFAOYSA-N    		 O=C(O)c1cc(ccc1Cl)N1CCNC1=O; c1cc(c(cc1N
    2CCNC2=O)C(=O)O)Cl; OC(=O)c1cc(ccc1Cl)N2
    CCNC2=O    		 2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid
    44118
    ZR4
    CHEMBL4441584    		 3 C17 H16 Cl F N4 O4 InChI=1S/C17H16ClFN4O4/c1
    8-9-2-1-7(5-10(9)19)11(24
    )14-12(25)13(26)17(27-14)
    23-4-3-8-15(20)21-6-22-16
    (8)23/h1-6,11-14,17,24-26
    H,(H2,20,21,22)/t11-,12+,
    13-,14-,17-/m1/s1;
    GTCYWLXMJRCJNE-QFRSUPTLSA-N    		 Nc1ncnc2n(ccc12)[CH]3O[CH]([CH](O)[CH]3O
    )[CH](O)c4ccc(Cl)c(F)c4; Clc1ccc(cc1F)C(
    O)C1OC(n2ccc3c(N)ncnc32)C(O)C1O; c1cc(c(
    cc1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3
    ccc4c3ncnc4N)O)O)O)F)Cl; c1cc(c(cc1C(C2C
    (C(C(O2)n3ccc4c3ncnc4N)O)O)O)F)Cl; Nc1nc
    nc2n(ccc12)[C@@H]3O[C@@H]([C@@H](O)[C@H]
    3O)[C@H](O)c4ccc(Cl)c(F)c4    		 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
    44119
    ZR5
    CHEMBL3113165
    DB18307
    ZINC000103266485    		 6 C21 H19 N3 O4 S2 InChI=1S/C21H19N3O4S2/c1-
    28-18-7-4-5-14(20(18)25)1
    3-22-15-9-11-16(12-10-15)
    30(26,27)24-21-23-17-6-2-
    3-8-19(17)29-21/h2-12,22,
    25H,13H2,1H3,(H,23,24);
    OWHBVKBNNRYMIN-UHFFFAOYSA-N    		 COc1cccc(c1O)CNc2ccc(cc2)S(=O)(=O)Nc3nc4
    ccccc4s3; COc1cccc(CNc2ccc(cc2)S(=O)(=O)
    Nc2nc3ccccc3s2)c1O; COc1cccc(CNc2ccc(cc2
    )[S](=O)(=O)Nc3sc4ccccc4n3)c1O    		 N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzene-1-sulfonamide
    44120
    ZR6    		 9 C11 H12 N2 O3 InChI=1S/C11H12N2O3/c1-7-
    8(10(14)15)3-2-4-9(7)13-6
    -5-12-11(13)16/h2-4H,5-6H
    2,1H3,(H,12,16)(H,14,15);
    LBXZUEMSUVQWIJ-UHFFFAOYSA-N    		 Cc1c(cccc1C(O)=O)N2CCNC2=O; O=C(O)c1cccc
    (c1C)N1CCNC1=O; Cc1c(cccc1N2CCNC2=O)C(=O
    )O    		 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid
    44121
    ZR7
    CHEMBL4452566    		 2 C22 H20 F2 N8 O2 S InChI=1S/C22H20F2N8O2S/c1
    -34-18-8-26-17(7-27-18)19
    (33)30-14-2-3-16(24)15(4-
    14)22-11-32(21-28-5-13(23
    )6-29-21)9-12(22)10-35-20
    (25)31-22/h2-8,12H,9-11H2
    ,1H3,(H2,25,31)(H,30,33)/
    t12-,22-/m0/s1;
    VQSRKMNBWMHJKY-YTEVENLXSA-N    		 COc1cnc(cn1)C(=O)Nc2ccc(c(c2)C34CN(CC3CS
    C(=N4)N)c5ncc(cn5)F)F; COc1cnc(cn1)C(=O)
    Nc2ccc(F)c(c2)[C]34CN(C[CH]3CSC(=N4)N)c5
    ncc(F)cn5; COc1ncc(nc1)C(=O)Nc1cc(c(F)cc
    1)C12N=C(N)SCC2CN(C1)c1ncc(F)cn1; COc1cn
    c(cn1)C(=O)Nc2ccc(c(c2)[C@]34CN(C[C@H]3C
    SC(=N4)N)c5ncc(cn5)F)F; COc1cnc(cn1)C(=O
    )Nc2ccc(F)c(c2)[C@]34CN(C[C@H]3CSC(=N4)N
    )c5ncc(F)cn5    		 N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide
    44122
    ZR9    		 6 C9 H6 N2 O4 InChI=1S/C9H6N2O4/c12-7-5
    -3-4(8(13)14)1-2-6(5)10-9
    (15)11-7/h1-3H,(H,13,14)(
    H2,10,11,12,15);
    FDJXVHKCNJIHTB-UHFFFAOYSA-N    		 OC(=O)c1ccc2NC(=O)NC(=O)c2c1; c1cc2c(cc1
    C(=O)O)C(=O)NC(=O)N2; O=C(O)c1ccc2NC(=O)
    NC(=O)c2c1    		 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid
    44123
    ZRA
    DB03536
    ZINC000098209677    		 1 C18 H28 F N5 O4 InChI=1S/C18H28FN5O4/c1-1
    2(15(25)10-19)23-16(26)14
    (8-5-9-22-17(20)21)24-18(
    27)28-11-13-6-3-2-4-7-13/
    h2-4,6-7,12,14,17,22H,5,8
    -11,20-21H2,1H3,(H,23,26)
    (H,24,27)/t12-,14-/m0/s1;
    FAAPWXRBXXSQNJ-JSGCOSHPSA-N    		 CC(C(=O)CF)NC(=O)[C@H](CCCNC(N)N)NC(=O)O
    Cc1ccccc1; C[C@H](NC(=O)[C@H](CCCNC(N)N)
    NC(=O)OCc1ccccc1)C(=O)CF; FCC(=O)C(NC(=O
    )C(NC(=O)OCc1ccccc1)CCCNC(N)N)C; C[CH](N
    C(=O)[CH](CCCNC(N)N)NC(=O)OCc1ccccc1)C(=
    O)CF; CC(C(=O)CF)NC(=O)C(CCCNC(N)N)NC(=O
    )OCc1ccccc1    		 BENZOYL-ARGININE-ALANINE-FLUORO-METHYL KETONE;
    benzyl [(2S)-5-[(diaminomethyl)amino]-1-{[(2S)-4-fluoro-3-oxobutan-2-yl]amino}-1-oxopentan-2-yl]carbamate
    44124
    ZRC    		 9 O17 P Zr3 InChI=1S/H3O4P.13O.3Zr/c1
    -5(2,3)4;;;;;;;;;;;;;;;;/
    h(H3,1,2,3,4);;;;;;;;;;;;
    ;;;;/q;;;;9*-1;4*+1/p-3;
    WBTZCCQRTTWINH-UHFFFAOYSA-K    		 [O-][Zr]123([O-])([O-])O[P]4(=O)O[Zr]5([
    O-])([O-])([O-])(O1)O[Zr]([O-])([O-])([O
    -])(O4)(O2)[O+]35; [O-][Zr]123(OP4(=O)O[
    Zr]5(O1)([O+]2[Zr](O4)(O3)(O5)([O-])([O-
    ])[O-])([O-])([O-])[O-])([O-])[O-]    		 OXO ZIRCONIUM(IV) CLUSTER
    44125
    ZRD
    CHEMBL3704998
    ZINC000169703444    		 2 C13 H13 F N6 S2 InChI=1S/C13H13FN6S2/c14-
    9-3-16-12(17-4-9)20-5-8-6
    -21-11(15)19-13(8,7-20)10
    -1-2-18-22-10/h1-4,8H,5-7
    H2,(H2,15,19)/t8-,13-/m0/
    s1;
    JTNSTOMSFFQQFP-SDBXPKJASA-N    		 NC1=N[C@]2(CN(C[C@H]2CS1)c3ncc(F)cn3)c4s
    ncc4; c1cnsc1[C@]23CN(C[C@H]2CSC(=N3)N)c
    4ncc(cn4)F; NC1=N[C]2(CN(C[CH]2CS1)c3ncc
    (F)cn3)c4sncc4; c1cnsc1C23CN(CC2CSC(=N3)
    N)c4ncc(cn4)F; Fc1cnc(nc1)N1CC2(N=C(N)SC
    C2C1)c1ccns1    		 (4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
    44126
    ZRE    		 4 C10 H8 F N O3 InChI=1S/C10H8FNO3/c11-7-
    4-8-5(1-2-9(13)12-8)3-6(7
    )10(14)15/h3-4H,1-2H2,(H,
    12,13)(H,14,15);
    SAJMBBKTNYDWGD-UHFFFAOYSA-N    		 OC(=O)c1cc2CCC(=O)Nc2cc1F; O=C(O)c1cc2CC
    C(=O)Nc2cc1F; c1c2c(cc(c1C(=O)O)F)NC(=O)
    CC2    		 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
    44127
    ZRF    		 0 C8 H11 N3 O4 InChI=1S/C8H11N3O4/c1-4(9
    )7-10-5(3-12)8(15)11(7)2-
    6(13)14/h3-4,12H,2,9H2,1H
    3,(H,13,14)/b5-3+/t4-/m0/
    s1;
    FVXPLHKMTPOASN-MXFQXMHVSA-N    		 C[C@H](N)C1=N\C(=C\O)C(=O)N1CC(O)=O; C[C
    H](N)C1=NC(=CO)C(=O)N1CC(O)=O; CC(C1=N/C
    (=C/O)/C(=O)N1CC(=O)O)N; CC(C1=NC(=CO)C(
    =O)N1CC(=O)O)N    		 2-[(4E)-2-[(1S)-1-aminoethyl]-4-(hydroxymethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid;
    2-[(4~{E})-2-(1-azanylethyl)-5-oxidanylidene-4-(oxidanylmethylidene)imidazol-1-yl]ethanoic acid
    44128
    ZRG
    ZINC000024974824    		 2 C11 H22 N6 O3 InChI=1S/C11H22N6O3/c1-7(
    18)16-8(9(19)13-2)5-4-6-1
    5-10(12)17-11(20)14-3/h8H
    ,4-6H2,1-3H3,(H,13,19)(H,
    16,18)(H4,12,14,15,17,20)
    /t8-/m0/s1;
    IHUKVJKKTBLTEE-QMMMGPOBSA-N    		 [H]/N=C(/NCCC[C@@H](C(=O)NC)NC(=O)C)\NC(
    =O)NC; CC(=O)NC(CCCNC(=N)NC(=O)NC)C(=O)N
    C; O=C(NC)C(NC(=O)C)CCCNC(=[N@H])NC(=O)N
    C; CNC(=O)NC(=N)NCCC[CH](NC(C)=O)C(=O)NC
    ; CNC(=O)NC(=N)NCCC[C@H](NC(C)=O)C(=O)NC    		 (2S)-2-acetamido-N-methyl-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentanamide
    44129
    ZRH    		 1 C17 H16 F N3 O2 InChI=1S/C17H16FN3O2/c1-1
    1(10-23-13-5-3-2-4-6-13)1
    7(22)21-15-9-12(18)7-8-14
    (15)16(19)20-21/h2-9,11H,
    10H2,1H3,(H2,19,20)/t11-/
    m0/s1;
    UFEKXWZXPIHHKC-NSHDSACASA-N    		 C[C@@H](COc1ccccc1)C(=O)n2c3cc(ccc3c(n2)
    N)F; C[CH](COc1ccccc1)C(=O)n2nc(N)c3ccc(
    F)cc23; CC(COc1ccccc1)C(=O)n1nc(N)c2ccc(
    F)cc21; CC(COc1ccccc1)C(=O)n2c3cc(ccc3c(
    n2)N)F; C[C@@H](COc1ccccc1)C(=O)n2nc(N)c
    3ccc(F)cc23    		 (2S)-1-(3-amino-6-fluoro-1H-indazol-1-yl)-2-methyl-3-phenoxypropan-1-one
    44130
    ZRI    		 2 C9 H9 N O2 InChI=1S/C9H9NO2/c11-9(12
    )7-5-6(7)8-3-1-2-4-10-8/h
    1-4,6-7H,5H2,(H,11,12)/t6
    -,7-/m0/s1;
    ZFZMEVZZAIRAHE-BQBZGAKWSA-N    		 OC(=O)[CH]1C[CH]1c2ccccn2; OC(=O)[C@H]1C
    [C@@H]1c2ccccn2; c1ccnc(c1)[C@H]2C[C@@H]
    2C(=O)O; O=C(O)C1CC1c1ccccn1; c1ccnc(c1)
    C2CC2C(=O)O    		 (1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid
    44131
    ZRJ    		 0 C14 H21 N O4 InChI=1S/C14H21NO4/c1-14(
    2,3)19-13(16)12(15)9-6-10
    (17-4)8-11(7-9)18-5/h6-8,
    12H,15H2,1-5H3/t12-/m0/s1;
    AWJOCNUVOGUIHD-LBPRGKRZSA-N    		 COc1cc(OC)cc(c1)[C@H](N)C(=O)OC(C)(C)C;
    CC(C)(C)OC(=O)C(c1cc(cc(c1)OC)OC)N; COc1
    cc(OC)cc(c1)[CH](N)C(=O)OC(C)(C)C    		 tert-butyl (2S)-2-amino-2-(3,5-dimethoxyphenyl)acetate;
    ~{tert}-butyl 2-azanyl-2-(3,5-dimethoxyphenyl)ethanoate
    44132
    ZRK
    CHEMBL1738951
    ZINC000066157014    		 2 C12 H8 N2 O2 InChI=1S/C12H8N2O2/c15-12
    -9-7-11(8-1-4-13-5-2-8)16
    -10(9)3-6-14-12/h1-7H,(H,
    14,15);
    NLYCKXUGHPVKMO-UHFFFAOYSA-N    		 O=C2NC=Cc1oc(cc12)c3ccncc3; O=C1NC=Cc2oc
    (cc12)c3ccncc3; c1cnccc1c2cc3c(o2)C=CNC3
    =O    		 2-(4-PYRIDINYL)FURO[3,2-C]PYRIDIN-4(5H)-ONE
    44133
    ZRL
    CHEMBL1738952
    ZINC000066157016    		 2 C12 H7 Br N2 O S InChI=1S/C12H7BrN2OS/c13-
    9-6-15-12(16)8-5-10(17-11
    (8)9)7-1-3-14-4-2-7/h1-6H
    ,(H,15,16);
    YFBJHINTWOTPAK-UHFFFAOYSA-N    		 BrC1=CNC(=O)c2cc(sc12)c3ccncc3; c1cnccc1
    c2cc3c(s2)C(=CNC3=O)Br    		 7-BROMO-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE
    44134
    ZRM
    CHEMBL1738953
    ZINC000066157017    		 2 C18 H12 N2 O2 S InChI=1S/C18H12N2O2S/c21-
    13-3-1-11(2-4-13)15-10-20
    -18(22)14-9-16(23-17(14)1
    5)12-5-7-19-8-6-12/h1-10,
    21H,(H,20,22);
    CCZJKJIDVXAPAV-UHFFFAOYSA-N    		 O=C2c1cc(sc1C(=CN2)c3ccc(O)cc3)c4ccncc4;
    Oc1ccc(cc1)C2=CNC(=O)c3cc(sc23)c4ccncc4
    ; c1cc(ccc1C2=CNC(=O)c3c2sc(c3)c4ccncc4)
    O    		 7-(4-HYDROXYPHENYL)-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE
    44135
    ZRO
    CHEMBL3991294
    ZINC000095920757    		 2 C14 H11 F3 N2 O4 InChI=1S/C14H11F3N2O4/c15
    -14(16,17)8-4-1-7(2-5-8)3
    -6-9-10(12(21)22)18-13(23
    )19-11(9)20/h1-2,4-5H,3,6
    H2,(H,21,22)(H2,18,19,20,
    23);
    DDORHAWNAXTQBY-UHFFFAOYSA-N    		 c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)C(F)(
    F)F; OC(=O)C1=C(CCc2ccc(cc2)C(F)(F)F)C(=
    O)NC(=O)N1; O=C1NC(C(=O)O)=C(C(=O)N1)CCc
    2ccc(cc2)C(F)(F)F    		 2,6-dioxo-5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
    44136
    ZRP    		 1 C23 H28 N4 O InChI=1S/C23H28N4O/c1-3-4
    -5-9-14-25-18-12-13-21-19
    (15-18)22(20(16-26-21)23(
    28)24-2)27-17-10-7-6-8-11
    -17/h6-8,10-13,15-16,25H,
    3-5,9,14H2,1-2H3,(H,24,28
    )(H,26,27);
    VPTGXKPVJHDKIV-UHFFFAOYSA-N    		 CCCCCCNc1ccc2ncc(C(=O)NC)c(Nc3ccccc3)c2c
    1; CCCCCCNc1ccc2c(c1)c(c(cn2)C(=O)NC)Nc3
    ccccc3; CNC(=O)c1cnc2ccc(cc2c1Nc1ccccc1)
    NCCCCCC    		 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide
    44137
    ZRR
    CHEMBL4541595    		 2 C22 H28 N10 O InChI=1S/C22H28N10O/c1-14
    (2)32-28-21(27-29-32)16-9
    -18(11-19(33)10-16)26-22-
    20-15(3-8-31(20)25-13-24-
    22)12-30-6-4-17(23)5-7-30
    /h3,8-11,13-14,17,33H,4-7
    ,12,23H2,1-2H3,(H,24,25,2
    6);
    CNACSDYVLFCDEW-UHFFFAOYSA-N    		 CC(C)n1nc(nn1)c2cc(cc(c2)O)Nc3c4c(ccn4nc
    n3)CN5CCC(CC5)N; CC(C)n1nnc(n1)c2cc(O)cc
    (Nc3ncnn4ccc(CN5CCC(N)CC5)c34)c2; CC(C)n
    1nc(nn1)c1cc(O)cc(Nc2ncnn3ccc(CN4CCC(N)C
    C4)c32)c1    		 (5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol
    44138
    ZRS
    ZINC000000158898    		 1 C9 H7 N3 O2 InChI=1S/C9H7N3O2/c13-9(1
    4)7-1-3-8(4-2-7)12-6-10-5
    -11-12/h1-6H,(H,13,14);
    FOMQQGKCPYKKHQ-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)O)n2cncn2; OC(=O)c1ccc(cc1
    )n2cncn2; O=C(O)c1ccc(cc1)n1cncn1    		 4-(1H-1,2,4-triazol-1-yl)benzoic acid
    44139
    ZRT    		 3 C30 H36 N8 O3 InChI=1S/C30H36N8O3/c1-5-
    28(39)32-23-17-24(26(40-4
    )18-25(23)37-13-15-41-16-
    14-37)33-30-31-12-11-27(3
    4-30)38-20-22(19-36(2)3)2
    9(35-38)21-9-7-6-8-10-21/
    h6-12,17-18,20H,5,13-16,1
    9H2,1-4H3,(H,32,39)(H,31,
    33,34);
    JCMFJBUWEYTTAQ-UHFFFAOYSA-N    		 CCC(=O)Nc1cc(c(cc1N2CCOCC2)OC)Nc3nccc(n3
    )n4cc(c(n4)c5ccccc5)CN(C)C; CN(C)Cc1cn(n
    c1c1ccccc1)c1nc(ncc1)Nc1cc(NC(=O)CC)c(cc
    1OC)N1CCOCC1; CCC(=O)Nc1cc(Nc2nccc(n2)n3
    cc(CN(C)C)c(n3)c4ccccc4)c(OC)cc1N5CCOCC5    		 N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide;
    lazertinib, bound form
    44140
    ZRU    		 3 C17 H19 N7 O2 InChI=1S/C17H19N7O2/c1-18
    -14-8-13(22-12-4-3-7-19-1
    7(12)26-2)23-15-11(9-20-2
    4(14)15)16(25)21-10-5-6-1
    0/h3-4,7-10,18H,5-6H2,1-2
    H3,(H,21,25)(H,22,23);
    HANGACPWNQHVPZ-UHFFFAOYSA-N    		 CNc1cc(Nc2cccnc2OC)nc3n1ncc3C(=O)NC4CC4;
    COc1ncccc1Nc1cc(NC)n2ncc(c2n1)C(=O)NC1C
    C1; CNc1cc(nc2n1ncc2C(=O)NC3CC3)Nc4cccnc
    4OC    		 (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
    44141
    ZRV    		 2 C30 H28 F2 N4 O2 InChI=1S/C30H28F2N4O2/c1-
    2-3-13-33-29(37)21-12-9-1
    8(14-25(21)31)22-15-23-27
    (16-26(22)32)34-17-24(30(
    38)36-20-10-11-20)28(23)3
    5-19-7-5-4-6-8-19/h4-9,12
    ,14-17,20H,2-3,10-11,13H2
    ,1H3,(H,33,37)(H,34,35)(H
    ,36,38);
    DBDGLOMDGKMHIN-UHFFFAOYSA-N    		 CCCCNC(=O)c1ccc(cc1F)c2cc3c(cc2F)ncc(C(=
    O)NC4CC4)c3Nc5ccccc5; CCCCNC(=O)c1ccc(cc
    1F)c2cc3c(cc2F)ncc(c3Nc4ccccc4)C(=O)NC5C
    C5; CCCCNC(=O)c1ccc(cc1F)c1cc2c(Nc3ccccc
    3)c(cnc2cc1F)C(=O)NC1CC1    		 4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide
    44142
    ZRW    		 3 H2 O61 P2 W17 Zr InChI=1S/2HO4P.H2O.52O.17
    W.Zr/c2*1-5(2,3)4;;;;;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;/h2*5H;1H2;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;;;/q;;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;+1;/p-1;
    LRQWFSUELMUBNO-UHFFFAOYSA-M    		 O.O=[W]123O[Zr]45O[W]67(O[PH]89O[W]%10%1
    1(=O)(O4)O[W]%12(=O)(O5)O[W]%13%14(=O)O[
    W]%15%16(=O)(O[PH]%17%18O[W]%19%20%21(=O
    )O[W]%22(=O)(O1)O[W]%23(=O)(O8)(O6)O[W](
    =O)(O7)(O[W]%24(=O)(O[W](=O)(O%23)(O%19)
    O[W]%25%26(=O)(O%24)O[W]%27(=O)(O%13)(O%
    15)O[W](=O)(O%20)(O[W](=O)(O%17)(O%14)(O
    [W](=O)(O9)(O2)(O%12)O%22)O%21)(O%25)[O]
    %18%26%27)O%16)O%10)O%11)O3; O=[W]1234O[
    Zr]56O[W]78(=O)(O1)O[W]91%10(=O)O[W]%11%
    12(=O)(O2)O[W]2%13%14(=O)O%11P%11%15O9[W
    ]9%16(=O)(O1)O[W]1%17(=O)(O7)O8P78O3[W]3
    (=O)(O4)(O2)O[W]24(=O)(O5)O7[W](O6)(O2)(
    O1)(O[W]12(=O)(O%17)O8[W](=O)(O4)(O3)(O1
    )O[W]13(=O)(O%13)O%11[W](=O)(O1)(O9)(O2)
    O[W]12(=O)(O%16)O%154[W](=O)(O%12)(O%10)
    (O1)O[W]4(=O)(O%14)(O3)O2)[O]    		 W-Zr-cluster
    44143
    ZRY
    ZINC000070503730    		 1 C14 H12 N4 InChI=1S/C14H12N4/c15-13-
    11-8-4-5-9-12(11)14(16-13
    )18-17-10-6-2-1-3-7-10/h1
    -9,17H,(H2,15,16,18);
    XBVFGEHZRVLBOS-UHFFFAOYSA-N    		 c1ccc(cc1)NN=C2c3ccccc3C(=N)N2; N=C1NC(=
    N/Nc2ccccc2)\c3ccccc13; [H]/N=C\1/c2cccc
    c2/C(=N/Nc3ccccc3)/N1; N=C1NC(=NNc2ccccc
    2)c3ccccc13; N=C1N/C(=N\Nc2ccccc2)c2cccc
    c12    		 (1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine
    44144
    ZRZ    		 9 C16 H19 N O4 InChI=1S/C16H19NO4/c18-14
    (12-4-3-5-13(10-12)15(19)
    20)17-8-9-21-16(11-17)6-1
    -2-7-16/h3-5,10H,1-2,6-9,
    11H2,(H,19,20);
    WRSNGBAODXMMQK-UHFFFAOYSA-N    		 OC(=O)c1cccc(c1)C(=O)N2CCOC3(CCCC3)C2; c
    1cc(cc(c1)C(=O)O)C(=O)N2CCOC3(C2)CCCC3;
    O=C(O)c1cccc(c1)C(=O)N1CC2(CCCC2)OCC1    		 3-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)benzoic acid
    44145
    ZS0
    CHEMBL5200638
    ZINC000038681305    		 1 C12 H9 F N4 O S InChI=1S/C12H9FN4OS/c13-8
    -3-1-7(2-4-8)5-17-10-9(14
    -6-15-10)11(18)16-12(17)1
    9/h1-4,6H,5H2,(H,14,15)(H
    ,16,18,19);
    GMNQNGTVFNOHLD-UHFFFAOYSA-N    		 Fc1ccc(CN2C(=S)NC(=O)c3[nH]cnc23)cc1; c1
    cc(ccc1CN2c3c([nH]cn3)C(=O)NC2=S)F; Fc1c
    cc(cc1)CN3c2ncnc2C(=O)NC3=S    		 3-(4-FLUOROBENZYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE
    44146
    ZS1
    CHEMBL3185395
    ZINC000000388558    		 4 C8 H7 N3 InChI=1S/C8H7N3/c9-7-5-3-
    1-2-4-6(5)8(10)11-7/h1-4H
    ,(H3,9,10,11);
    RZVCEPSDYHAHLX-UHFFFAOYSA-N    		 NC1=NC(=N)c2ccccc12; c1ccc2c(c1)C(=NC2=N
    )N; [H]/N=C\1/c2ccccc2C(=N1)N; N=C1N=C(N
    )c2ccccc12    		 (1Z)-1-imino-1H-isoindol-3-amine
    44147
    ZS2
    ZINC000584905724    		 1 C30 H24 F N7 O3 InChI=1S/C30H24FN7O3/c1-1
    6-26(29(40)36-20-7-9-24-1
    9(12-20)14-34-38-24)27(37
    -30(41)35-16)18-6-8-23(31
    )22(13-18)28(39)33-15-25-
    21-5-3-2-4-17(21)10-11-32
    -25/h2-14,27H,15H2,1H3,(H
    ,33,39)(H,34,38)(H,36,40)
    (H2,35,37,41)/t27-/m0/s1;
    UGYAZGXSMRGKRD-MHZLTWQESA-N    		 CC1=C(C(NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c4c
    cccc4ccn3)F)C(=O)Nc5ccc6c(c5)cn[nH]6; CC
    1=C([CH](NC(=O)N1)c2ccc(F)c(c2)C(=O)NCc3
    nccc4ccccc34)C(=O)Nc5ccc6[nH]ncc6c5; CC1
    =C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c
    4ccccc4ccn3)F)C(=O)Nc5ccc6c(c5)cn[nH]6;
    CC1=C([C@@H](NC(=O)N1)c2ccc(F)c(c2)C(=O)
    NCc3nccc4ccccc34)C(=O)Nc5ccc6[nH]ncc6c5    		 (4~{S})-4-[4-fluoranyl-3-(isoquinolin-1-ylmethylcarbamoyl)phenyl]-~{N}-(1~{H}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide
    44148
    ZS3    		 3 C21 H18 F2 N8 O2 InChI=1S/C21H18F2N8O2/c1-
    24-17-9-16(29-18-11(10-26
    -31(17)18)20(32)28-15-8-1
    3(15)23)27-14-5-3-7-30(21
    (14)33)19-12(22)4-2-6-25-
    19/h2-7,9-10,13,15,24H,8H
    2,1H3,(H,27,29)(H,28,32)/
    t13-,15+/m0/s1;
    FFJRAFFUQOURPS-DZGCQCFKSA-N    		 CNc1cc(nc2n1ncc2C(=O)N[C@@H]3C[C@@H]3F)N
    C4=CC=CN(C4=O)c5c(cccn5)F; Fc1cccnc1N1C=
    CC=C(Nc2cc(NC)n3ncc(c3n2)C(=O)NC2CC2F)C1
    =O; CNc1cc(NC2=CC=CN(C2=O)c3ncccc3F)nc4n
    1ncc4C(=O)N[CH]5C[CH]5F; CNc1cc(NC2=CC=C
    N(C2=O)c3ncccc3F)nc4n1ncc4C(=O)N[C@@H]5C
    [C@@H]5F; CNc1cc(nc2n1ncc2C(=O)NC3CC3F)N
    C4=CC=CN(C4=O)c5c(cccn5)F    		 (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
    44149
    ZS4
    CHEMBL586702
    DB12904
    ZINC000001912926    		 1 C19 H21 F2 N7 O2 InChI=1S/C19H21F2N7O2/c20
    -15(21)16-22-13-3-1-2-4-1
    4(13)28(16)19-24-17(26-5-
    9-29-10-6-26)23-18(25-19)
    27-7-11-30-12-8-27/h1-4,1
    5H,5-12H2;
    HGVNLRPZOWWDKD-UHFFFAOYSA-N    		 FC(F)c1nc2ccccc2n1c3nc(nc(n3)N4CCOCC4)N5
    CCOCC5; FC(F)c2nc1ccccc1n2c3nc(nc(n3)N4C
    COCC4)N5CCOCC5; c1ccc2c(c1)nc(n2c3nc(nc(
    n3)N4CCOCC4)N5CCOCC5)C(F)F    		 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1H-benzimidazole
    44150
    ZS5    		 4 C13 H13 N O3 S InChI=1S/C13H13NO3S/c15-1
    1-6-7-13(9-4-2-1-3-5-9)14
    (11)10(8-18-13)12(16)17/h
    1-5,10H,6-8H2,(H,16,17)/t
    10-,13+/m0/s1;
    MYHDKADJYJOFCW-GXFFZTMASA-N    		 OC(=O)[CH]1CS[C]2(CCC(=O)N12)c3ccccc3; O
    C(=O)[C@@H]1CS[C@]2(CCC(=O)N12)c3ccccc3;
    c1ccc(cc1)C23CCC(=O)N2C(CS3)C(=O)O; O=C
    (O)C1CSC2(CCC(=O)N12)c1ccccc1; c1ccc(cc1
    )[C@]23CCC(=O)N2[C@@H](CS3)C(=O)O    		 (3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid
    44151
    ZS7
    ZINC000004528689    		 2 C8 H6 N2 O InChI=1S/C8H6N2O/c9-7-5-3
    -1-2-4-6(5)8(11)10-7/h1-4
    H,(H2,9,10,11);
    MMBYJYAFFGKUDC-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=NC2=O)N; NC1=NC(=O)c2ccccc
    12    		 3-amino-1H-isoindol-1-one
    44152
    ZS8
    ZINC000584905720    		 0 C11 H19 N O2 InChI=1S/C11H19NO2/c1-3-4
    -5-6-7-8-9-11(2,12)10(13)
    14/h5-9,12H2,1-2H3,(H,13,
    14)/t11-/m0/s1;
    IEDCXEQAWYUWSL-NSHDSACASA-N    		 CC#CCCCCC[C](C)(N)C(O)=O; CC#CCCCCCC(C)(
    C(=O)O)N; CC#CCCCCC[C@@](C)(C(=O)O)N; NC
    (C(=O)O)(C)CCCCCC#CC; CC#CCCCCC[C@](C)(N
    )C(O)=O    		 (2S)-2-amino-2-methyldec-8-ynoic acid
    44153
    ZS9    		 3 C15 H20 O2 InChI=1S/C15H20O2/c1-8-4-
    7-12-10(3)15(16)17-14(12)
    13-9(2)5-6-11(8)13/h10-14
    H,1-2,4-7H2,3H3/t10-,11-,
    12+,13-,14+/m0/s1;
    UJADCNYXDHHISU-PDWCTOEPSA-N    		 CC1C2CCC(=C)C3CCC(=C)C3C2OC1=O; C[CH]1[C
    H]2CCC(=C)[CH]3CCC(=C)[CH]3[CH]2OC1=O; C
    [C@H]1[C@H]2CCC(=C)[C@@H]3CCC(=C)[C@@H]3
    [C@@H]2OC1=O; C=C1CCC2C(C)C(=O)OC2C2C1CC
    C2=C    		 dehydrocostus lactone, bound form
    44154
    ZSA
    ZINC000013571731    		 2 C9 H10 N6 InChI=1S/C9H10N6/c10-7-5-
    3-1-2-4-6(5)8(13-7)14-15-
    9(11)12/h1-4H,(H2,10,13,1
    4)(H4,11,12,15);
    MMCURALNZRAPHY-UHFFFAOYSA-N    		 N=C(N)N\N=C1/N=C(N)c2ccccc21; c1ccc2c(c1
    )C(=NC2=NNC(=N)N)N; c1ccc\2c(c1)C(=N/C2=
    N\NC(=N)N)N; NC(=N)N/N=C/1N=C(N)c2ccccc/
    12; NC(=N)NN=C1N=C(N)c2ccccc12    		 (2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide
    44155
    ZSB
    CHEMBL5314423    		 3 C23 H24 N8 O3 InChI=1S/C23H24N8O3/c1-24
    -20-12-18(27-16-6-5-11-30
    (23(16)33)19-7-3-4-10-25-
    19)29-21-14(13-26-31(20)2
    1)22(32)28-15-8-9-17(15)3
    4-2/h3-7,10-13,15,17,24H,
    8-9H2,1-2H3,(H,27,29)(H,2
    8,32)/t15-,17-/m1/s1;
    BWINBHTTZLVXGT-NVXWUHKLSA-N    		 CNc1cc(nc2n1ncc2C(=O)NC3CCC3OC)NC4=CC=CN
    (C4=O)c5ccccn5; CNc1cc(nc2n1ncc2C(=O)N[C
    @@H]3CC[C@H]3OC)NC4=CC=CN(C4=O)c5ccccn5;
    CNc1cc(NC2=CC=CN(C2=O)c3ccccn3)nc4n1ncc
    4C(=O)N[C@@H]5CC[C@H]5OC; CNc1cc(NC2=CC=
    CN(C2=O)c3ccccn3)nc4n1ncc4C(=O)N[CH]5CC[
    CH]5OC; COC1CCC1NC(=O)c1cnn2c(cc(nc12)NC
    1=CC=CN(c2ccccn2)C1=O)NC    		 (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide;
    TAK-279
    44156
    ZSC    		 0 C10 H11 N O6 S InChI=1S/C10H11NO6S/c1-11
    (18(2,16)17)8-4-6(9(12)13
    )3-7(5-8)10(14)15/h3-5H,1
    -2H3,(H,12,13)(H,14,15);
    AQLCCKNBQHJPIB-UHFFFAOYSA-N    		 O=S(=O)(N(c1cc(cc(c1)C(=O)O)C(=O)O)C)C;
    CN(c1cc(cc(c1)C(=O)O)C(=O)O)S(=O)(=O)C;
    CN(c1cc(cc(c1)C(O)=O)C(O)=O)[S](C)(=O)=O    		 5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
    44157
    ZSD
    ZINC000072434670    		 1 C18 H24 N8 O InChI=1S/C18H24N8O/c1-12-
    16(13(2)27-23-12)10-24(3)
    8-14-6-15-9-25(4-5-26(15)
    22-14)18-7-17(19)20-11-21
    -18/h6-7,11H,4-5,8-10H2,1
    -3H3,(H2,19,20,21);
    UIAMVAYKSCWAMB-UHFFFAOYSA-N    		 CN(Cc1cc2CN(CCn2n1)c3cc(N)ncn3)Cc4c(C)on
    c4C; CN(Cc1c(C)onc1C)Cc1cc2CN(CCn2n1)c1c
    c(N)ncn1; Cc1c(c(on1)C)CN(C)Cc2cc3n(n2)C
    CN(C3)c4cc(ncn4)N    		 6-[(8R)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]pyrimidin-4-amine
    44158
    ZSF    		 2 C10 H20 N5 O25 P7 InChI=1S/C10H20N5O25P7/c1
    1-8-5-9(13-2-12-8)15(3-14
    -5)10-7(17)6(16)4(34-10)1
    -33-42(21,22)36-44(25,26)
    38-46(29,30)40-47(31,32)3
    9-45(27,28)37-43(23,24)35
    -41(18,19)20/h2-4,6-7,10,
    16-17H,1H2,(H,21,22)(H,23
    ,24)(H,25,26)(H,27,28)(H,
    29,30)(H,31,32)(H2,11,12,
    13)(H2,18,19,20)/t4-,6-,7
    -,10-/m1/s1;
    CLTPWCJSZCAWDP-KQYNXXCUSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O
    P(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O
    )(O)OP(=O)(O)O)O)O)N; O=P(O)(O)OP(=O)(O)
    OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=
    O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O; c1
    nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H
    ](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(
    O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N; Nc
    1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)
    O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)
    (=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@
    H]3O; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O
    )(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[
    P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)
    [CH]3O    		 adenosine 5'-heptaphosphate
    44159
    ZSG    		 1 C15 H22 N8 O InChI=1S/C15H22N8O/c1-21(
    2)6-5-17-14(24)12-9-11-10
    -22(7-8-23(11)20-12)13-3-
    4-18-15(16)19-13/h3-4,9H,
    5-8,10H2,1-2H3,(H,17,24)(
    H2,16,18,19);
    SOQWCHRGAQNWSN-UHFFFAOYSA-N    		 CN(C)CCNC(=O)c1cc2CN(CCn2n1)c3ccnc(N)n3;
    CN(C)CCNC(=O)c1cc2CN(CCn2n1)c1ccnc(N)n1
    ; CN(C)CCNC(=O)c1cc2n(n1)CCN(C2)c3ccnc(n
    3)N    		 (8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
    44160
    ZSJ
    ZINC000002181868    		 1 C10 H15 N O S InChI=1S/C10H15NOS/c1-13-
    10-4-2-9(3-5-10)8-11-6-7-
    12/h2-5,11-12H,6-8H2,1H3;
    MXNHNDNJEDGUBO-UHFFFAOYSA-N    		 CSc1ccc(CNCCO)cc1; CSc1ccc(cc1)CNCCO 2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol
    44161
    ZSL    		 1 C16 H23 N5 O13 P2 S InChI=1S/C16H23N5O13P2S/c
    17-13-8-14(19-3-18-13)21(
    4-20-8)15-11(24)9(22)6(32
    -15)1-30-35(25,26)34-36(2
    7,28)31-2-7-10(23)12-16(3
    3-7)37-5-29-12/h3-4,6-7,9
    -12,15-16,22-24H,1-2,5H2,
    (H,25,26)(H,27,28)(H2,17,
    18,19)/t6-,7-,9-,10-,11-,
    12-,15-,16-/m1/s1;
    JPGLSFZFEDXQNE-MLCZKHQMSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]
    ([C@@H]5[C@H](O4)SCO5)O)O)O)N; Nc1ncnc2c
    1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3SCOC
    3C2O)C(O)C1O; Nc1ncnc2n(cnc12)[CH]3O[CH]
    (CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]5SCO
    [CH]5[CH]4O)[CH](O)[CH]3O; c1nc(c2c(n1)n
    (cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C
    (C5C(O4)SCO5)O)O)O)N; Nc1ncnc2n(cnc12)[C
    @@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)OC[C@
    H]4O[C@@H]5SCO[C@@H]5[C@@H]4O)[C@@H](O)[
    C@H]3O    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(3aR,5R,6R,6aR)-6-hydroxytetrahydro-2H-furo[2,3-d][1,3]oxathiol-5-yl]methyl dihydrogen diphosphate (non-preferred name)
    44162
    ZSM
    CHEMBL501448
    ZINC000003845289    		 1 C10 H14 N4 S2 InChI=1S/C10H14N4S2/c11-9
    (12)15-5-7-1-2-8(4-3-7)6-
    16-10(13)14/h1-4H,5-6H2,(
    H3,11,12)(H3,13,14);
    PWMGHDCLHPWGBX-UHFFFAOYSA-N    		 NC(=N)SCc1ccc(CSC(N)=N)cc1; N=C(N)SCc1cc
    c(CSC(=N)N)cc1; c1cc(ccc1CSC(=N)N)CSC(=N
    )N    		 (1,4-phenylene)bis(methylene) dicarbamimidothioate
    44163
    ZSN    		 0 C3 H7 N3 O3 InChI=1S/C3H7N3O3/c4-2(7)
    1-6(5)3(8)9/h1,5H2,(H2,4,
    7)(H,8,9);
    AYJPQGDWEDBSTK-UHFFFAOYSA-N    		 O=C(N)CN(N)C(=O)O; C(C(=O)N)N(C(=O)O)N;
    NN(CC(N)=O)C(O)=O    		 1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid;
    Aza-asparagine
    44164
    ZSO    		 1 C19 H20 F N3 O InChI=1S/C19H20FN3O/c20-1
    6-3-1-13(2-4-16)18-7-8-21
    -10-15(18)12-24-17-5-6-19
    -14(9-17)11-22-23-19/h1-6
    ,9,11,15,18,21H,7-8,10,12
    H2,(H,22,23)/t15-,18-/m0/
    s1;
    ICFQMYOLILBYFP-YJBOKZPZSA-N    		 c1cc(ccc1C2CCNCC2COc3ccc4c(c3)c[nH]n4)F;
    c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)
    c[nH]n4)F; Fc4ccc(C1CCNCC1COc3cc2cnnc2cc
    3)cc4; Fc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3c
    cc4n[nH]cc4c3; Fc1ccc(cc1)[CH]2CCNC[CH]2
    COc3ccc4n[nH]cc4c3    		 5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2H-indazole
    44165
    ZSP
    ZINC000103562712    		 12 C9 H11 N5 O3 InChI=1S/C9H11N5O3/c1-3(1
    5)6(16)4-2-11-7-5(12-4)8(
    17)14-9(10)13-7/h15-16H,2
    H2,1H3,(H4,10,11,13,14,17
    )/b6-3-;
    FYDGMRRMOMSOLR-UTCJRWHESA-N    		 C/C(=C(\C1=NC2=C(NC1)N=C(NC2=O)N)/O)/O;
    CC(O)=C(O)C1=NC2=C(NC1)N=C(N)NC2=O; CC(/
    O)=C(O)\C1=NC2=C(NC1)N=C(N)NC2=O; CC(=C(
    C1=NC2=C(NC1)N=C(NC2=O)N)O)O; O=C1C=2N=C
    (C(\O)=C(\O)C)CNC=2N=C(N)N1    		 2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one;
    Sepiapterin (enol-form)
    44166
    ZSS
    ZINC000073658678    		 3 C9 H11 Cl N2 S InChI=1S/C9H11ClN2S/c1-6(
    13-9(11)12)7-2-4-8(10)5-3
    -7/h2-6H,1H3,(H3,11,12)/t
    6-/m1/s1;
    LMPMLIXDHLWEBJ-ZCFIWIBFSA-N    		 C[CH](SC(N)=N)c1ccc(Cl)cc1; [H]/N=C(/N)\
    S[C@H](C)c1ccc(cc1)Cl; Clc1ccc(cc1)C(C)S
    C(=N)N; CC(c1ccc(cc1)Cl)SC(=N)N; C[C@@H]
    (SC(N)=N)c1ccc(Cl)cc1    		 (1R)-1-(4-chlorophenyl)ethyl carbamimidothioate
    44167
    ZST
    CHEMBL10372
    DB08772
    ZINC000000538557    		 20 C19 H12 F3 N3 O3 S InChI=1S/C19H12F3N3O3S/c2
    0-19(21,22)10-5-6-15-14(7
    -10)23-16(29-15)9-25-18(2
    8)12-4-2-1-3-11(12)13(24-
    25)8-17(26)27/h1-7H,8-9H2
    ,(H,26,27);
    BCSVCWVQNOXFGL-UHFFFAOYSA-N    		 FC(F)(F)c1cc2nc(sc2cc1)CN3N=C(c4ccccc4C3
    =O)CC(=O)O; c1ccc2c(c1)C(=NN(C2=O)Cc3nc4
    cc(ccc4s3)C(F)(F)F)CC(=O)O; OC(=O)CC1=NN
    (Cc2sc3ccc(cc3n2)C(F)(F)F)C(=O)c4ccccc14    		 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID
    44168
    ZSV    		 8 C32 H35 N2 O8 InChI=1S/C32H34N2O8/c1-3-
    16-34(18-22-6-4-5-7-26(22
    )31(37)33-17-21-8-11-24(4
    0-2)12-9-21)19-23-10-14-2
    7-30(29(23)32(38)39)41-20
    -25(42-27)13-15-28(35)36/
    h3-12,14,25H,1,13,15-20H2
    ,2H3,(H,33,37)(H,35,36)(H
    ,38,39)/p+1/t25-/m0/s1;
    ZRNNRYOIYQTQFF-VWLOTQADSA-O    		 COc1ccc(CNC(=O)c2ccccc2C[NH+](CC=C)Cc3cc
    c4O[C@@H](CCC(O)=O)COc4c3C(O)=O)cc1; COc
    1ccc(cc1)CNC(=O)c2ccccc2C[NH+](CC=C)Cc3c
    cc4c(c3C(=O)O)OCC(O4)CCC(=O)O; COc1ccc(C
    NC(=O)c2ccccc2C[NH+](CC=C)Cc3ccc4O[CH](C
    CC(O)=O)COc4c3C(O)=O)cc1; COc1ccc(cc1)CN
    C(=O)c2ccccc2C[NH+](CC=C)Cc3ccc4c(c3C(=O
    )O)OC[C@@H](O4)CCC(=O)O    		 (R)-[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium
    44169
    ZSW    		 8 C28 H35 N2 O7 InChI=1S/C28H34N2O7/c1-4-
    14-30(15-19-8-6-7-9-22(19
    )27(33)29-18(3)5-2)16-20-
    10-12-23-26(25(20)28(34)3
    5)36-17-21(37-23)11-13-24
    (31)32/h4,6-10,12,18,21H,
    1,5,11,13-17H2,2-3H3,(H,2
    9,33)(H,31,32)(H,34,35)/p
    +1/t18-,21+/m1/s1;
    AGZZKFCNWHLQQG-NQIIRXRSSA-O    		 CC[C@@H](C)NC(=O)c1ccccc1C[NH+](CC=C)Cc2
    ccc3c(c2C(=O)O)OC[C@@H](O3)CCC(=O)O; CC[
    CH](C)NC(=O)c1ccccc1C[NH+](CC=C)Cc2ccc3O
    [CH](CCC(O)=O)COc3c2C(O)=O; CCC(C)NC(=O)
    c1ccccc1C[NH+](CC=C)Cc2ccc3c(c2C(=O)O)OC
    C(O3)CCC(=O)O; CC[C@@H](C)NC(=O)c1ccccc1
    C[NH+](CC=C)Cc2ccc3O[C@@H](CCC(O)=O)COc3
    c2C(O)=O    		 (R)-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl-[[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium
    44170
    ZSX
    ZINC000004202290    		 0 C9 H11 N O3 InChI=1S/C9H11NO3/c1-13-7
    -4-2-6(3-5-7)8(10)9(11)12
    /h2-5,8H,10H2,1H3,(H,11,1
    2)/t8-/m1/s1;
    GXUAKXUIILGDKW-MRVPVSSYSA-N    		 COc1ccc(cc1)[CH](N)C(O)=O; COc1ccc(cc1)C
    (C(=O)O)N; COc1ccc(cc1)[C@H](C(=O)O)N; C
    Oc1ccc(cc1)[C@@H](N)C(O)=O; COc1ccc(cc1)
    C(N)C(=O)O    		 (2R)-amino(4-methoxyphenyl)acetic acid
    44171
    ZSY
    ZINC000071839240    		 1 C19 H17 N3 O3 InChI=1S/C19H17N3O3/c23-1
    8-15(8-9-16(21-18)17-5-3-
    11-25-17)19(24)22(14-6-7-
    14)12-13-4-1-2-10-20-13/h
    1-5,8-11,14H,6-7,12H2,(H,
    21,23);
    VTYIZPVGHMMFAO-UHFFFAOYSA-N    		 Oc1nc(ccc1C(=O)N(Cc2ccccn2)C3CC3)c4occc4
    ; O=C(c1ccc(nc1O)c1ccco1)N(Cc1ccccn1)C1C
    C1; c1ccnc(c1)CN(C2CC2)C(=O)c3ccc(nc3O)c
    4ccco4    		 N-cyclopropyl-6-(furan-2-yl)-2-hydroxy-N-[(pyridin-2-yl)methyl]pyridine-3-carboxamide
    44172
    ZT0    		 4 C26 H27 N2 O6 InChI=1S/C26H26N2O6/c1-28
    (15-19-9-12-22-24(34-16-3
    3-22)23(19)26(30)31)14-18
    -5-3-4-6-21(18)25(29)27-1
    3-17-7-10-20(32-2)11-8-17
    /h3-12H,13-16H2,1-2H3,(H,
    27,29)(H,30,31)/p+1;
    YWMUPSLVZDTDIZ-UHFFFAOYSA-O    		 COc1ccc(CNC(=O)c2ccccc2C[NH+](C)Cc3ccc4O
    COc4c3C(O)=O)cc1; C[NH+](Cc1ccccc1C(=O)N
    Cc2ccc(cc2)OC)Cc3ccc4c(c3C(=O)O)OCO4; O=
    C(NCc1ccc(OC)cc1)c2ccccc2C[NH+](C)Cc3ccc
    4OCOc4c3C(=O)O    		 (4-CARBOXY-1,3-BENZODIOXOL-5-YL)-N-{2-[(4-METHOXYBENZYL)CARBAMOYL]BENZYL}-N-METHYLMETHANAMINIUM
    44173
    ZT1    		 0 C14 H26 N4 O2 InChI=1S/C14H26N4O2/c1-11
    (2)18(9-12-8-16-10-17(12)
    3)7-5-4-6-13(15)14(19)20/
    h8,10-11,13H,4-7,9,15H2,1
    -3H3,(H,19,20)/t13-/m0/s1;
    LXXPOZGLFXPWOY-ZDUSSCGKSA-N    		 CC(C)N(CCCC[C@@H](C(=O)O)N)Cc1cncn1C; CC
    (C)N(CCCC[C@H](N)C(O)=O)Cc1cncn1C; Cn1cn
    cc1CN(CCCCC(N)C(=O)O)C(C)C; CC(C)N(CCCCC
    (C(=O)O)N)Cc1cncn1C; CC(C)N(CCCC[CH](N)C
    (O)=O)Cc1cncn1C    		 N~6~-[(1-methyl-1H-imidazol-5-yl)methyl]-N~6~-propan-2-yl-L-lysine
    44174
    ZT2
    ZINC000095920890    		 16 C18 H12 O5 InChI=1S/C18H12O5/c19-14-
    8-10-3-1-2-4-12(10)13(14)
    7-11-5-6-15-17(23-9-22-15
    )16(11)18(20)21/h1-7H,8-9
    H2,(H,20,21)/b13-7+;
    WRNAEMYUELGDPO-NTUHNPAUSA-N    		 c1ccc\2c(c1)CC(=O)/C2=C/c3ccc4c(c3C(=O)O
    )OCO4; OC(=O)c1c2OCOc2ccc1\C=C/3C(=O)Cc4
    ccccc/34; O=C2C(\c1ccccc1C2)=C\c3ccc4OCO
    c4c3C(=O)O; OC(=O)c1c2OCOc2ccc1C=C3C(=O)
    Cc4ccccc34; c1ccc2c(c1)CC(=O)C2=Cc3ccc4c
    (c3C(=O)O)OCO4    		 5-[(E)-(2-OXO-2,3-DIHYDRO-1H-INDEN-1-YLIDENE)METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
    44175
    ZT3    		 6 C25 H28 N4 O InChI=1S/C25H28N4O/c1-16-
    8-13-21-22(17(16)2)29(15-
    18-7-6-14-26-23(18)28-21)
    24(30)27-20-11-9-19(10-12
    -20)25(3,4)5/h6-14H,15H2,
    1-5H3,(H,26,28)(H,27,30);
    RHGZKBFOWYGLDJ-UHFFFAOYSA-N    		 CC(C)(C)c1ccc(cc1)NC(=O)N1Cc2cccnc2Nc2cc
    c(C)c(C)c21; Cc1ccc2c(c1C)N(Cc3cccnc3N2)
    C(=O)Nc4ccc(cc4)C(C)(C)C; Cc1ccc2Nc3nccc
    c3CN(C(=O)Nc4ccc(cc4)C(C)(C)C)c2c1C    		 N-(4-tert-butylphenyl)-7,8-dimethyl-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepine-6-carboxamide
    44176
    ZT4
    ZINC000095920888    		 4 C18 H14 O5 InChI=1S/C18H14O5/c19-14-
    8-10-3-1-2-4-12(10)13(14)
    7-11-5-6-15-17(23-9-22-15
    )16(11)18(20)21/h1-7,14,1
    9H,8-9H2,(H,20,21)/b13-7+
    /t14-/m0/s1;
    SLQGUUWKGRSNCG-GUNGLEHYSA-N    		 O[CH]1Cc2ccccc2C1=Cc3ccc4OCOc4c3C(O)=O;
    O[C@H]1Cc2ccccc2\C1=C/c3ccc4OCOc4c3C(O)=
    O; c1ccc2c(c1)CC(C2=Cc3ccc4c(c3C(=O)O)OC
    O4)O; O=C(O)c1c(ccc2OCOc12)/C=C4\c3ccccc
    3CC4O    		 5-{(E)-[(2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLIDENE]METHYL}-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
    44177
    ZT6    		 0 C18 H30 Cl N O4 Si InChI=1S/C18H30ClNO4Si/c1
    -10(2)25(11(3)4,12(5)6)24
    -17(16(20)18(22)23)13-7-8
    -15(21)14(19)9-13/h7-12,1
    6-17,21H,20H2,1-6H3,(H,22
    ,23)/t16-,17+/m0/s1;
    FNRYKHQDTZHUJG-DLBZAZTESA-N    		 CC(C)[Si](O[CH]([CH](N)C(O)=O)c1ccc(O)c(
    Cl)c1)(C(C)C)C(C)C; CC(C)[Si](C(C)C)(C(C
    )C)O[C@H](c1ccc(c(c1)Cl)O)[C@@H](C(=O)O)
    N; Oc1ccc(cc1Cl)C(O[Si](C(C)C)(C(C)C)C(C
    )C)C(N)C(=O)O; CC(C)[Si](C(C)C)(C(C)C)OC
    (c1ccc(c(c1)Cl)O)C(C(=O)O)N; CC(C)[Si](O
    [C@@H]([C@H](N)C(O)=O)c1ccc(O)c(Cl)c1)(C
    (C)C)C(C)C    		 (betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-L-tyrosine
    44178
    ZT7    		 2 C10 H10 N2 O InChI=1S/C10H10N2O/c1-7(1
    3)12-5-8-2-3-10(11)4-9(8)
    6-12/h2-6H,11H2,1H3;
    QUEOWOVPZRUSRH-UHFFFAOYSA-N    		 CC(=O)n1cc2ccc(N)cc2c1; CC(=O)n1cc2ccc(c
    c2c1)N    		 1-(5-amino-2H-isoindol-2-yl)ethan-1-one
    44179
    ZT9    		 0 C9 H11 N O2 S InChI=1S/C9H11NO2S/c1-12-
    7-4-2-6(3-5-7)8(10)9(11)1
    3/h2-5,8H,10H2,1H3,(H,11,
    13)/t8-/m1/s1;
    INSVIGJTBISSTF-MRVPVSSYSA-N    		 COc1ccc(cc1)C(C(=S)O)N; COc1ccc(cc1)C(N)
    C(O)=S; COc1ccc(cc1)[C@@H](N)C(O)=S; COc
    1ccc(cc1)[C@H](C(=S)O)N; COc1ccc(cc1)[CH
    ](N)C(O)=S    		 (2R)-amino(4-methoxyphenyl)ethanethioic O-acid
    44180
    ZTA    		 1 C15 H10 O3 InChI=1S/C15H10O3/c16-9-1
    3-12-8-11(15-2-1-7-18-15)
    4-3-10(12)5-6-14(13)17/h1
    -9,17H;
    VJXXMWQMXRJRKS-UHFFFAOYSA-N    		 Oc1ccc2ccc(cc2c1C=O)c3occc3; O=Cc1c2cc(c
    cc2ccc1O)c1ccco1; c1cc(oc1)c2ccc3ccc(c(c
    3c2)C=O)O    		 (7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde
    44181
    ZTC
    ZINC000004202366    		 0 C10 H13 N O4 InChI=1S/C10H13NO4/c1-14-
    7-3-6(9(11)10(12)13)4-8(5
    -7)15-2/h3-5,9H,11H2,1-2H
    3,(H,12,13)/t9-/m0/s1;
    PUDUIVFPKSOBOR-VIFPVBQESA-N    		 COc1cc(OC)cc(c1)[CH](N)C(O)=O; COc1cc(cc
    (OC)c1)C(N)C(=O)O; COc1cc(cc(c1)OC)C(C(=
    O)O)N; COc1cc(cc(c1)OC)[C@@H](C(=O)O)N;
    COc1cc(OC)cc(c1)[C@H](N)C(O)=O    		 (2S)-amino(3,5-dimethoxyphenyl)acetic acid
    44182
    ZTD
    ZINC000095921110    		 4 C20 H23 N3 O6 InChI=1S/C20H23N3O6/c1-12
    -7-16(29-22-12)9-18(25)23
    -11-15(24)8-17(23)19(26)2
    1-10-13-3-5-14(6-4-13)20(
    27)28-2/h3-7,15,17,24H,8-
    11H2,1-2H3,(H,21,26)/t15-
    ,17+/m1/s1;
    HMFSOBWOOWBCBL-WBVHZDCISA-N    		 O=C(N2C(C(=O)NCc1ccc(C(=O)OC)cc1)CC(O)C2
    )Cc3onc(c3)C; Cc1cc(on1)CC(=O)N2C[C@@H](
    C[C@H]2C(=O)NCc3ccc(cc3)C(=O)OC)O; COC(=
    O)c1ccc(CNC(=O)[CH]2C[CH](O)CN2C(=O)Cc3o
    nc(C)c3)cc1; COC(=O)c1ccc(CNC(=O)[C@@H]2
    C[C@@H](O)CN2C(=O)Cc3onc(C)c3)cc1; Cc1cc
    (on1)CC(=O)N2CC(CC2C(=O)NCc3ccc(cc3)C(=O
    )OC)O    		 METHYL 4-[({(4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLYL}AMINO)METHYL]BENZOATE
    44183
    ZTE    		 4 C16 H16 N6 O4 S2 InChI=1S/C16H16N6O4S2/c17
    -10(5-13(18)23)16(24)22-2
    8(25,26)9-3-1-2-8(4-9)12-
    6-11-14(27-12)15(19)21-7-
    20-11/h1-4,6-7,10H,5,17H2
    ,(H2,18,23)(H,22,24)(H2,1
    9,20,21)/t10-/m0/s1;
    YYLYXTNPSXPFAU-JTQLQIEISA-N    		 c1cc(cc(c1)S(=O)(=O)NC(=O)C(CC(=O)N)N)c2
    cc3c(s2)c(ncn3)N; N[CH](CC(N)=O)C(=O)N[S
    ](=O)(=O)c1cccc(c1)c2sc3c(N)ncnc3c2; NC(
    =O)CC(N)C(=O)NS(=O)(=O)c1cccc(c1)c1cc2nc
    nc(N)c2s1; c1cc(cc(c1)S(=O)(=O)NC(=O)[C@
    H](CC(=O)N)N)c2cc3c(s2)c(ncn3)N; N[C@@H]
    (CC(N)=O)C(=O)N[S](=O)(=O)c1cccc(c1)c2sc
    3c(N)ncnc3c2    		 N~1~-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-aspartamide
    44184
    ZTG    		 0 C18 H30 Cl N O4 Si InChI=1S/C18H30ClNO4Si/c1
    -10(2)25(11(3)4,12(5)6)24
    -17(16(20)18(22)23)13-7-8
    -15(21)14(19)9-13/h7-12,1
    6-17,21H,20H2,1-6H3,(H,22
    ,23)/t16-,17-/m1/s1;
    FNRYKHQDTZHUJG-IAGOWNOFSA-N    		 CC(C)[Si](O[CH]([CH](N)C(O)=O)c1ccc(O)c(
    Cl)c1)(C(C)C)C(C)C; Oc1ccc(cc1Cl)C(O[Si]
    (C(C)C)(C(C)C)C(C)C)C(N)C(=O)O; CC(C)[Si
    ](O[C@@H]([C@@H](N)C(O)=O)c1ccc(O)c(Cl)c
    1)(C(C)C)C(C)C; CC(C)[Si](C(C)C)(C(C)C)O
    C(c1ccc(c(c1)Cl)O)C(C(=O)O)N; CC(C)[Si](
    C(C)C)(C(C)C)O[C@H](c1ccc(c(c1)Cl)O)[C@H
    ](C(=O)O)N    		 (betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-D-tyrosine
    44185
    ZTH
    ZINC000058649877    		 0 C8 H13 N2 O7 P InChI=1S/C8H13N2O7P/c1-5-
    2-10(8(13)9-7(5)12)3-6(11
    )4-17-18(14,15)16/h2,6,11
    H,3-4H2,1H3,(H,9,12,13)(H
    2,14,15,16)/t6-/m0/s1;
    WWYWEFRSGDVKHI-LURJTMIESA-N    		 O=P(O)(O)OCC(O)CN1C=C(C(=O)NC1=O)C; CC1=
    CN(C[CH](O)CO[P](O)(O)=O)C(=O)NC1=O; CC1
    =CN(C[C@H](O)CO[P](O)(O)=O)C(=O)NC1=O; C
    C1=CN(C(=O)NC1=O)CC(COP(=O)(O)O)O; CC1=C
    N(C(=O)NC1=O)C[C@@H](COP(=O)(O)O)O    		 (S)-1'-(2',3'-DIHYDROXYPROPYL)-THYMINE
    44186
    ZTI
    CHEMBL3104427
    ZINC000000813401    		 1 C8 H7 N3 S InChI=1S/C8H7N3S/c9-8-11-
    7(5-12-8)6-3-1-2-4-10-6/h
    1-5H,(H2,9,11);
    BLKHMTAXNXLDJP-UHFFFAOYSA-N    		 c1ccnc(c1)c2csc(n2)N; Nc1scc(n1)c2ccccn2 4-pyridin-2-yl-1,3-thiazol-2-amine
    44187
    ZTK
    CHEMBL4172293
    ZINC000000901380    		 0 C4 H6 N2 O2 InChI=1S/C4H6N2O2/c5-2-1-
    3(6)4(7)8/h3H,1,6H2,(H,7,
    8)/t3-/m0/s1;
    BXRLWGXPSRYJDZ-VKHMYHEASA-N    		 C(C#N)C(C(=O)O)N; N[CH](CC#N)C(O)=O; N[C
    @@H](CC#N)C(O)=O; C(C#N)[C@@H](C(=O)O)N;
    N#CCC(N)C(=O)O    		 (2S)-2-amino-3-cyanopropanoic acid
    44188
    ZTL    		 2 C24 H34 N2 O InChI=1S/C24H34N2O/c25-15
    -16-6-8-21(9-7-16)26-23(2
    7)22-18-10-17-11-19(22)14
    -24(12-17,13-18)20-4-2-1-
    3-5-20/h1-5,16-19,21-22H,
    6-15,25H2,(H,26,27)/t16-,
    17-,18-,19+,21-,22-,24-;
    IRIFICPLNIURJD-IXFKACPXSA-N    		 c1ccc(cc1)C23C[C@H]4CC(C2)C[C@@H](C3)C4C
    (=O)NC5CCC(CC5)CN; NC[CH]1CC[CH](CC1)NC(
    =O)[CH]2[CH]3CC4C[CH]2CC(C4)(C3)c5ccccc5
    ; c1ccc(cc1)C23CC4CC(C2)C(C(C4)C3)C(=O)N
    C5CCC(CC5)CN; O=C(NC1CCC(CC1)CN)C1C2CC3C
    C1CC(C3)(C2)c1ccccc1; NC[C@H]1CC[C@@H](C
    C1)NC(=O)[C@@H]2[C@@H]3CC4C[C@H]2CC(C4)(
    C3)c5ccccc5    		 (1R,2s,3S,5s,7s)-N-[(1r,4r)-4-(aminomethyl)cyclohexyl]-5-phenyladamantane-2-carboxamide
    44189
    ZTM    		 0 Ac InChI=1S/Ac/q+3;
    NBPXRFNLHVPTNL-UHFFFAOYSA-N    		 [Ac+3] Actinium Ion
    44190
    ZTN
    ZINC000000409209    		 2 C6 H4 F2 O InChI=1S/C6H4F2O/c7-4-2-1
    -3-5(9)6(4)8/h1-3,9H;
    RPEPGIOVXBBUMJ-UHFFFAOYSA-N    		 Oc1cccc(F)c1F; c1cc(c(c(c1)F)F)O 2,3-bis(fluoranyl)phenol
    44191
    ZTO    		 2 C23 H19 F N2 O3 InChI=1S/C23H19FN2O3/c1-2
    9-18-8-5-15(6-9-18)22(27)
    25-17-4-2-3-14(11-17)12-2
    0-19-13-16(24)7-10-21(19)
    26-23(20)28/h2-11,13,20H,
    12H2,1H3,(H,25,27)(H,26,2
    8)/t20-/m1/s1;
    PMXAOPMAOYNZJP-HXUWFJFHSA-N    		 COc1ccc(cc1)C(=O)Nc2cccc(c2)CC3c4cc(ccc4
    NC3=O)F; COc1ccc(cc1)C(=O)Nc2cccc(C[CH]3
    C(=O)Nc4ccc(F)cc34)c2; COc1ccc(cc1)C(=O)
    Nc1cccc(c1)CC1c2cc(F)ccc2NC1=O; COc1ccc(
    cc1)C(=O)Nc2cccc(c2)C[C@@H]3c4cc(ccc4NC3
    =O)F; COc1ccc(cc1)C(=O)Nc2cccc(C[C@H]3C(
    =O)Nc4ccc(F)cc34)c2    		 N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide
    44192
    ZTP
    ZINC000062227954    		 4 C40 H68 O7 P2 InChI=1S/C40H68O7P2/c1-33
    (2)17-10-18-34(3)19-11-20
    -35(4)21-12-22-36(5)23-13
    -24-37(6)25-14-26-38(7)27
    -15-28-39(8)29-16-30-40(9
    )31-32-46-49(44,45)47-48(
    41,42)43/h17,19,21,23,25,
    27,29,31H,10-16,18,20,22,
    24,26,28,30,32H2,1-9H3,(H
    ,44,45)(H2,41,42,43)/b34-
    19-,35-21-,36-23-,37-25-,
    38-27-,39-29-,40-31-;
    IKKLDISSULFFQO-DLTKSLTJSA-N    		 CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/
    C(=C\CC/C(=C\CC/C(=C\CO[P@@](=O)(O)OP(=O
    )(O)O)/C)/C)/C)/C)/C)/C)/C)C; CC(C)=CCC\
    C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\
    C(C)=C/CC\C(C)=C/CC\C(C)=C/CO[P](O)(=O)O
    [P](O)(O)=O; O=P(O)(O)OP(=O)(OC/C=C(/C)C
    C/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)C
    C/C=C(/C)CC/C=C(/C)CC\C=C(/C)C)O; CC(=CC
    CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=
    CCOP(=O)(O)OP(=O)(O)O)C)C)C)C)C)C)C)C; C
    C(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC
    C(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O
    )(O)=O    		 (2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate
    44193
    ZTQ
    ZINC000003063328    		 1 C15 H14 O3 InChI=1S/C15H14O3/c1-11(1
    5(16)17)18-14-9-7-13(8-10
    -14)12-5-3-2-4-6-12/h2-11
    H,1H3,(H,16,17)/t11-/m0/s
    1;
    FUPGQEMJIGUBGO-NSHDSACASA-N    		 CC(C(=O)O)Oc1ccc(cc1)c2ccccc2; C[C@@H](C
    (=O)O)Oc1ccc(cc1)c2ccccc2; C[CH](Oc1ccc(
    cc1)c2ccccc2)C(O)=O; C[C@H](Oc1ccc(cc1)c
    2ccccc2)C(O)=O; CC(Oc1ccc(cc1)c1ccccc1)C
    (=O)O    		 (2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid
    44194
    ZTR    		 0 C9 H11 N O2 InChI=1S/C9H11NO2/c10-6-8
    -4-2-1-3-7(8)5-9(11)12/h1
    -4H,5-6,10H2,(H,11,12);
    VLOIVYPDUSVCLZ-UHFFFAOYSA-N    		 NCc1ccccc1CC(O)=O; NCc1ccccc1CC(=O)O; c1
    ccc(c(c1)CC(=O)O)CN    		 [2-(aminomethyl)phenyl]acetic acid
    44195
    ZTS    		 2 C10 H13 N2 O8 P InChI=1S/C10H13N2O8P/c1-5
    -8(13)7(3-12-9(14)10(15)1
    6)6(2-11-5)4-20-21(17,18)
    19/h2,13H,3-4H2,1H3,(H,12
    ,14)(H,15,16)(H2,17,18,19
    );
    UBNNJGPDPGHCQB-UHFFFAOYSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(CNC(=O)C(O)=O)c1O
    ; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=O)C(=O)O
    )O; Oc1c(CNC(=O)C(=O)O)c(cnc1C)COP(=O)(O
    )O    		 [({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino](oxo)acetic acid
    44196
    ZTT    		 4 C26 H28 N2 O4 InChI=1S/C26H28N2O4/c1-17
    -23-7-5-21(15-19(23)9-11-
    27(3)25(17)29)31-13-14-32
    -22-6-8-24-18(2)26(30)28(
    4)12-10-20(24)16-22/h5-12
    ,15-18H,13-14H2,1-4H3;
    HXVCPXGIAZLACO-UHFFFAOYSA-N    		 C[C@@H]1c2ccc(cc2C=CN(C1=O)C)OCCOc3ccc4c
    (c3)C=CN(C(=O)[C@@H]4C)C; C[CH]1C(=O)N(C
    )C=Cc2cc(OCCOc3ccc4[CH](C)C(=O)N(C)C=Cc4
    c3)ccc12; C[C@H]1C(=O)N(C)C=Cc2cc(OCCOc3
    ccc4[C@@H](C)C(=O)N(C)C=Cc4c3)ccc12; CC1
    c2ccc(cc2C=CN(C1=O)C)OCCOc3ccc4c(c3)C=CN
    (C(=O)C4C)C    		 (1R)-7-[2-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1H-3-benzazepin-2-one;
    (1R,1'R)-7,7'-(ethane-1,2-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one)
    44197
    ZTV    		 1 C21 H26 N6 O2 InChI=1S/C21H26N6O2/c1-14
    -12-28-9-7-26(14)17-11-18
    (27-8-10-29-13-15(27)2)23
    -21-19(17)24-20(25-21)16-
    5-3-4-6-22-16/h3-6,11,14-
    15H,7-10,12-13H2,1-2H3,(H
    ,23,24,25)/t14-,15+/m1/s1;
    WJWKTGFLLWKVGW-CABCVRRESA-N    		 C[CH]1COCCN1c2cc(N3CCOC[CH]3C)c4[nH]c(nc
    4n2)c5ccccn5; CC1COCCN1c1cc(nc2nc([NH]c2
    1)c1ccccn1)N1CCOCC1C; C[C@H]1COCCN1c2cc(
    N3CCOC[C@H]3C)c4[nH]c(nc4n2)c5ccccn5; CC
    1COCCN1c2cc(nc3c2[nH]c(n3)c4ccccn4)N5CCO
    CC5C; C[C@@H]1COCCN1c2cc(nc3c2[nH]c(n3)c
    4ccccn4)N5CCOC[C@@H]5C    		 (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine
    44198
    ZTW
    CHEMBL431698
    DB08773
    ZINC000003581478    		 2 C14 H10 O2 S InChI=1S/C14H10O2S/c15-11
    -4-1-9(2-5-11)13-7-10-3-6
    -12(16)8-14(10)17-13/h1-8
    ,15-16H;
    MDGWZLQPNOETLH-UHFFFAOYSA-N    		 Oc3ccc(c2sc1cc(O)ccc1c2)cc3; Oc1ccc(cc1)
    c2sc3cc(O)ccc3c2; c1cc(ccc1c2cc3ccc(cc3s
    2)O)O    		 RALOXIFENE CORE
    44199
    ZTX
    CHEMBL4649424    		 2 C24 H26 N6 O2 InChI=1S/C24H26N6O2/c1-28
    -20-6-4-3-5-19(20)23(32)2
    9(2)21-15-25-24(27-22(21)
    28)26-16-7-9-17(10-8-16)3
    0-13-11-18(31)12-14-30/h3
    -10,15,18,31H,11-14H2,1-2
    H3,(H,25,26,27);
    DFQAJLQXPSPNJE-UHFFFAOYSA-N    		 CN1C(=O)c2ccccc2N(C)c3nc(Nc4ccc(cc4)N5CC
    C(O)CC5)ncc13; O=C2c5ccccc5N(c1nc(ncc1N2
    C)Nc3ccc(cc3)N4CCC(O)CC4)C; CN1c2ccccc2C
    (=O)N(c3c1nc(nc3)Nc4ccc(cc4)N5CCC(CC5)O)
    C    		 2-((4-(4-HYDROXYPIPERIDIN-1-YL)PHENYL)AMINO)-5,11-DIMETHYL-5H-BENZO[E]PYRIMIDO [5,4-B][1,4]DIAZEPIN-6(11H)-ONE
    44200
    ZTY    		 2 C29 H34 N2 O4 InChI=1S/C29H34N2O4/c1-20
    -26-10-8-24(18-22(26)12-1
    4-30(3)28(20)32)34-16-6-5
    -7-17-35-25-9-11-27-21(2)
    29(33)31(4)15-13-23(27)19
    -25/h8-15,18-21H,5-7,16-1
    7H2,1-4H3/t20-,21-/m1/s1;
    LPZBOHUHUQVYMM-NHCUHLMSSA-N    		 CC1c2ccc(cc2C=CN(C1=O)C)OCCCCCOc3ccc4c(c
    3)C=CN(C(=O)C4C)C; C[CH]1C(=O)N(C)C=Cc2c
    c(OCCCCCOc3ccc4[CH](C)C(=O)N(C)C=Cc4c3)c
    cc12; C[C@H]1C(=O)N(C)C=Cc2cc(OCCCCCOc3c
    cc4[C@@H](C)C(=O)N(C)C=Cc4c3)ccc12; C[C@
    @H]1c2ccc(cc2C=CN(C1=O)C)OCCCCCOc3ccc4c(
    c3)C=CN(C(=O)[C@@H]4C)C    		 (1R)-7-[5-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]pentoxy]-1,3-dimethyl-1H-3-benzazepin-2-one;
    (1R,1'R)-7,7'-(pentane-1,5-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one)
    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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