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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 show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    32401 OW7
    CHEMBL277420
    ZINC000000403460    		 1 C9 H10 O3 InChI=1S/C9H10O3/c1-2-12-
    8-5-3-4-7(6-8)9(10)11/h3-
    6H,2H2,1H3,(H,10,11);
    DTFQMPQJMDEWKJ-UHFFFAOYSA-N    		 C(c1cccc(c1)OCC)(O)=O; CCOc1cccc(c1)C(=O
    )O; CCOc1cccc(c1)C(O)=O    		 3-ethoxybenzoic acid
    32402 OW8
    CHEMBL4587912
    ZINC000040447804    		 2 C8 H11 N3 O InChI=1S/C8H11N3O/c1-9-8(
    12)7-5-3-2-4-6(5)10-11-7/
    h2-4H2,1H3,(H,9,12)(H,10,
    11);
    TYDCMCXSYOEORK-UHFFFAOYSA-N    		 CNC(=O)c1n[nH]c2CCCc12; CNC(=O)c1c2c([nH
    ]n1)CCC2    		 ~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
    32403 OW9
    CHEMBL4747003    		 1 C16 H11 N3 O InChI=1S/C16H11N3O/c1-11-
    3-2-4-12(7-11)16(20)19-10
    -13(8-17)14-9-18-6-5-15(1
    4)19/h2-7,9-10H,1H3;
    TZVOWHPCVPGQMO-UHFFFAOYSA-N    		 Cc1cccc(c1)C(=O)n2cc(c3c2ccnc3)C#N; Cc1c
    ccc(c1)C(=O)n2cc(C#N)c3cnccc23    		 1-(3-methylphenyl)carbonylpyrrolo[3,2-c]pyridine-3-carbonitrile
    32404 OWA
    ZINC000217776345    		 1 C8 H13 N O3 InChI=1S/C8H13NO3/c1-9-5-
    6(3-7(9)10)4-8(11)12-2/h6
    H,3-5H2,1-2H3/t6-/m1/s1;
    CYBLSPQZUAXOJS-ZCFIWIBFSA-N    		 COC(=O)C[C@@H]1CN(C)C(=O)C1; CN1CC(CC1=O
    )CC(=O)OC; C1(N(C)CC(CC(OC)=O)C1)=O; CN1
    C[C@H](CC1=O)CC(=O)OC; COC(=O)C[CH]1CN(C
    )C(=O)C1    		 methyl [(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetate
    32405 OWB 1 C22 H23 N5 O2 InChI=1S/C22H23N5O2/c1-15
    (28)25-18-5-2-6-19(12-18)
    29-21-13-20(17-4-3-9-24-1
    4-17)26-22(27-21)16-7-10-
    23-11-8-16/h2,5-8,10-13,1
    7,24H,3-4,9,14H2,1H3,(H,2
    5,28)/t17-/m1/s1;
    KUZQQGDXOKMLJL-QGZVFWFLSA-N    		 CC(=O)Nc1cccc(Oc2cc(nc(n2)c3ccncc3)[CH]4
    CCCNC4)c1; CC(=O)Nc1cccc(Oc2cc(nc(n2)c3c
    cncc3)[C@@H]4CCCNC4)c1; CC(=O)Nc1cccc(c1
    )Oc2cc(nc(n2)c3ccncc3)C4CCCNC4; CC(=O)Nc
    1cccc(c1)Oc2cc(nc(n2)c3ccncc3)[C@@H]4CCC
    NC4    		 ~{N}-[3-[6-[(3~{R})-piperidin-3-yl]-2-pyridin-4-yl-pyrimidin-4-yl]oxyphenyl]ethanamide
    32406 OWC 3 C20 H17 Cl N2 O InChI=1S/C20H17ClN2O/c21-
    16-7-3-6-14(11-16)18-9-4-
    10-23(20(18)24)19-13-22-1
    2-15-5-1-2-8-17(15)19/h1-
    3,5-8,11-13,18H,4,9-10H2/
    t18-/m0/s1;
    WATOKUBUEBNRTN-SFHVURJKSA-N    		 Clc1cccc(c1)[CH]2CCCN(C2=O)c3cncc4ccccc3
    4; c1ccc2c(c1)cncc2N3CCCC(C3=O)c4cccc(c4
    )Cl; Clc1cccc(c1)[C@@H]2CCCN(C2=O)c3cncc
    4ccccc34; c1ccc2c(c1)cncc2N3CCC[C@H](C3=
    O)c4cccc(c4)Cl; Clc1cccc(c1)C1CCCN(c2cnc
    c3ccccc23)C1=O    		 (3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one
    32407 OWD 16 C16 H11 Cl N2 O3 InChI=1S/C16H11ClN2O3/c17
    -11-3-6-13-14(8-11)18-9-1
    5(19-13)22-12-4-1-10(2-5-
    12)7-16(20)21/h1-6,8-9H,7
    H2,(H,20,21);
    SPHMJKAQMWKCCP-UHFFFAOYSA-N    		 OC(=O)Cc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1; c2
    (cnc1cc(Cl)ccc1n2)Oc3ccc(CC(O)=O)cc3; c1
    cc(ccc1CC(=O)O)Oc2cnc3cc(ccc3n2)Cl    		 {4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid
    32408 OWF 0 C4 H8 N2 O4 InChI=1S/C4H8N2O4/c5-1(4(
    9)10)2(7)3(6)8/h1-2,7H,5H
    2,(H2,6,8)(H,9,10)/t1-,2+
    /m1/s1;
    VQTLPSCRBFYDNX-NCGGTJAESA-N    		 C(C(C(=O)N)O)(C(=O)O)N; N[C@H]([C@H](O)C
    (N)=O)C(O)=O; NC(=O)C(O)C(N)C(O)=O; [C@@
    H]([C@@H](C(=O)N)O)(C(=O)O)N; N[CH]([CH]
    (O)C(N)=O)C(O)=O    		 (3S)-3-hydroxy-D-asparagine
    32409 OWG 1 C33 H38 N6 O6 InChI=1S/C33H38N6O6/c1-41
    -24-9-6-20(7-10-24)30-25-
    16-27(43-3)26(42-2)15-22(
    25)18-37-39(30)29(40)11-8
    -21-12-19(14-28(44-4)31(2
    1)45-5)13-23-17-36-33(35)
    38-32(23)34/h6-7,9-10,12,
    14-17,30,37H,8,11,13,18H2
    ,1-5H3,(H4,34,35,36,38)/t
    30-/m0/s1;
    LGRHLMMHEUVVCK-PMERELPUSA-N    		 COc1ccc(cc1)[CH]2N(NCc3cc(OC)c(OC)cc23)C
    (=O)CCc4cc(Cc5cnc(N)nc5N)cc(OC)c4OC; COc
    1ccc(cc1)[C@H]2c3cc(c(cc3CNN2C(=O)CCc4cc
    (cc(c4OC)OC)Cc5cnc(nc5N)N)OC)OC; COc1ccc
    (cc1)C2c3cc(c(cc3CNN2C(=O)CCc4cc(cc(c4OC
    )OC)Cc5cnc(nc5N)N)OC)OC; COc1ccc(cc1)[C@
    @H]2N(NCc3cc(OC)c(OC)cc23)C(=O)CCc4cc(Cc
    5cnc(N)nc5N)cc(OC)c4OC; c5(c(CCC(N1C(c2c
    (CN1)cc(OC)c(OC)c2)c3ccc(cc3)OC)=O)cc(Cc
    4c(nc(N)nc4)N)cc5OC)OC    		 3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydrophthalazin-2(1H)-yl]propan-1-one
    32410 OWH 5 C7 H8 N2 S InChI=1S/C7H8N2S/c1-8-7(1
    0)6-3-2-4-9-5-6/h2-5H,1H3
    ,(H,8,10);
    FDIVIVQWGKEWIT-UHFFFAOYSA-N    		 CNC(=S)c1cccnc1 ~{N}-methylpyridine-3-carbothioamide
    32411 OWI
    CHEMBL3794629
    ZINC000205637096    		 1 C32 H48 N4 O4 S2 InChI=1S/C32H48N4O4S2/c1-
    27-12-16-31(17-13-27)41(3
    7,38)35-22-8-20-34(26-29-
    10-6-5-7-11-29)21-9-23-36
    (25-28(2)24-35)42(39,40)3
    2-18-14-30(15-19-32)33(3)
    4/h12-19,29H,2,5-11,20-26
    H2,1,3-4H3;
    JWLBLCMSJYGCFH-UHFFFAOYSA-N    		 Cc1ccc(cc1)S(=O)(=O)N2CCCN(CCCN(CC(=C)C2
    )S(=O)(=O)c3ccc(cc3)N(C)C)CC4CCCCC4; CN(
    C)c1ccc(cc1)[S](=O)(=O)N2CCCN(CCCN(CC(=C
    )C2)[S](=O)(=O)c3ccc(C)cc3)CC4CCCCC4    		 4-[[9-(cyclohexylmethyl)-3-methylidene-5-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]sulfonyl]-~{N},~{N}-dimethyl-aniline
    32412 OWJ
    ZINC000084726451    		 1 C32 H32 N6 O3 InChI=1S/C32H32N6O3/c1-19
    -11-20(2)13-24(12-19)29-2
    6-8-6-5-7-23(26)18-36-38(
    29)28(39)10-9-22-14-21(16
    -27(40-3)30(22)41-4)15-25
    -17-35-32(34)37-31(25)33/
    h5-14,16-18,29H,15H2,1-4H
    3,(H4,33,34,35,37)/b10-9+
    /t29-/m0/s1;
    YJNMFIWPSJEFDR-MOGHOSLNSA-N    		 Cc1cc(cc(c1)[C@H]2c3ccccc3C=NN2C(=O)/C=C
    /c4cc(cc(c4OC)OC)Cc5cnc(nc5N)N)C; COc1cc
    (Cc2cnc(N)nc2N)cc(C=CC(=O)N3N=Cc4ccccc4[
    CH]3c5cc(C)cc(C)c5)c1OC; Cc1cc(cc(c1)C2c
    3ccccc3C=NN2C(=O)C=Cc4cc(cc(c4OC)OC)Cc5c
    nc(nc5N)N)C; COc1cc(Cc2cnc(N)nc2N)cc(\C=
    C\C(=O)N3N=Cc4ccccc4[C@@H]3c5cc(C)cc(C)c
    5)c1OC; COc4cc(cc([C@H]=[C@H]C(N1C(c2c(C
    =N1)cccc2)c3cc(cc(c3)C)C)=O)c4OC)Cc5cnc(
    N)nc5N    		 (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,5-dimethylphenyl)phthalazin-2(1H)-yl]prop-2-en-1-one
    32413 OWK 1 C8 H15 B18 Co N2 O4 S2 InChI=1S/2C4H8B9NO2S.Co/c
    1-4(2-3-17(14,15)16)9-6-1
    2(9)8-5-7-10(4)11(9,12)13
    (7,8,10)12;14-17(15,16)2-
    1-4-3-10-8-7-6-11(4,7)9-1
    2(10,5-4)13(8,9)10;/h1-3H
    2,(H2,14,15,16);3,6H,1-2H
    2,(H2,14,15,16);/q+2;;;
    VTEZHESIJASILH-UHFFFAOYSA-N    		 C[C++]1(CC[S](N)(=O)=O)[B]23B4B5B6[B]247
    [B-]38[B]679B%10[B]189[Co]5%10%11%12B%13
    [C++]%14(C[B]%11%15%16B%17B%18[B][B-]%14
    %18B%19[B]%15%17[B]%12%13%16%19)CC[S](N)
    (=O)=O; [B]1B2B13B4B56B2B578B649[Co]7124
    567(B9[C+]31(C82)CCS(=O)(=O)N)B1B2B38B22
    9B1B212B93B41(B52)[C+]68(C7)CCS(=O)(=O)N    		 Metala-Carborane di-ethyl-sulfonamide
    32414 OWL 0 C18 H17 N7 InChI=1S/C18H17N7/c1-5-15
    (24-17-19-9-10-20-17)6-2-
    13(1)23-14-3-7-16(8-4-14)
    25-18-21-11-12-22-18/h1-1
    2,23H,(H2,19,20,24)(H2,21
    ,22,25);
    JHMXUERQMCJRHG-UHFFFAOYSA-N    		 n1ccnc1Nc4ccc(Nc3ccc(Nc2nccn2)cc3)cc4; c
    1cc(ccc1Nc2ccc(cc2)Nc3[nH]ccn3)Nc4[nH]cc
    n4; [nH]1ccnc1Nc2ccc(Nc3ccc(Nc4[nH]ccn4)
    cc3)cc2    		 N-1H-imidazol-2-yl-N'-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine
    32415 OWM 1 C29 H32 N6 O5 InChI=1S/C29H32N6O5/c1-37
    -22-12-19-15-33-35(26(17-
    5-6-17)21(19)13-23(22)38-
    2)25(36)8-7-18-9-16(11-24
    (39-3)27(18)40-4)10-20-14
    -32-29(31)34-28(20)30/h7-
    9,11-15,17,26H,5-6,10H2,1
    -4H3,(H4,30,31,32,34)/b8-
    7+/t26-/m1/s1;
    WEOHMFQXNAIIAE-DIJOXEGBSA-N    		 COc1cc(cc(c1OC)C=CC(=O)N2C(c3cc(c(cc3C=N
    2)OC)OC)C4CC4)Cc5cnc(nc5N)N; COc1cc(cc(c
    1OC)/C=C/C(=O)N2[C@@H](c3cc(c(cc3C=N2)OC
    )OC)C4CC4)Cc5cnc(nc5N)N; c1(nc(N)ncc1Cc2
    cc(c(c(c2)OC)OC)[C@H]=CC(=O)N3C(c4c(C=N3
    )cc(c(c4)OC)OC)C5CC5)N; COc1cc2C=NN([CH]
    (C3CC3)c2cc1OC)C(=O)C=Cc4cc(Cc5cnc(N)nc5
    N)cc(OC)c4OC; COc1cc2C=NN([C@H](C3CC3)c2
    cc1OC)C(=O)\C=C\c4cc(Cc5cnc(N)nc5N)cc(OC
    )c4OC    		 (2E)-1-[(1R)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one
    32416 OWN 1 C17 H20 N2 O3 InChI=1S/C17H20N2O3/c1-3-
    16(20)19-9-8-18(11-12-4-5
    -12)15-10-13(17(21)22-2)6
    -7-14(15)19/h3,6-7,10,12H
    ,1,4-5,8-9,11H2,2H3;
    WUQPUFRQBUEDIV-UHFFFAOYSA-N    		 COC(=O)c1ccc2N(CCN(CC3CC3)c2c1)C(=O)C=C;
    COC(=O)c1ccc2c(c1)N(CCN2C(=O)C=C)CC3CC3    		 methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate
    32417 OWO 2 C18 H16 F N5 InChI=1S/C18H16FN5/c1-10-
    15(11(2)24(3)23-10)14-6-4
    -5-12(16(14)19)13-7-8-20-
    18-17(13)21-9-22-18/h4-9H
    ,1-3H3,(H,20,21,22);
    RPWDTXPUVLCSDW-UHFFFAOYSA-N    		 Cn1nc(C)c(c1C)c2cccc(c2F)c3ccnc4nc[nH]c3
    4; Cc1c(c(n(n1)C)C)c2cccc(c2F)c3ccnc4c3[
    nH]cn4    		 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine
    32418 OWP 1 C31 H32 N6 O3 InChI=1S/C31H32N6O3/c1-39
    -27-17-21(15-24-18-34-31(
    33)36-30(24)32)14-22(29(2
    7)40-2)12-13-28(38)37-26(
    16-20-8-4-3-5-9-20)25-11-
    7-6-10-23(25)19-35-37/h3-
    14,17-18,26,35H,15-16,19H
    2,1-2H3,(H4,32,33,34,36)/
    b13-12+/t26-/m0/s1;
    OSCKDSROOCELQQ-JYSHFMIGSA-N    		 COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc
    3CN2)Cc4ccccc4)Cc5cnc(nc5N)N; COc1cc(Cc2
    cnc(N)nc2N)cc(C=CC(=O)N3NCc4ccccc4[CH]3C
    c5ccccc5)c1OC; COc1cc(cc(c1OC)C=CC(=O)N2
    C(c3ccccc3CN2)Cc4ccccc4)Cc5cnc(nc5N)N; c
    1(nc(N)ncc1Cc2cc(c(c(c2)OC)OC)\C=C\C(N3C
    (c4ccccc4CN3)Cc5ccccc5)=O)N; COc1cc(Cc2c
    nc(N)nc2N)cc(\C=C\C(=O)N3NCc4ccccc4[C@@H
    ]3Cc5ccccc5)c1OC    		 (2E)-1-[(1S)-1-benzylphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one
    32419 OWQ
    CHEMBL4755149    		 5 C20 H20 N8 O InChI=1S/C20H20N8O/c1-29-
    17-4-2-16(3-5-17)28-19-18
    (25-26-28)12-22-20(24-19)
    23-14-8-11-27(13-14)15-6-
    9-21-10-7-15/h2-7,9-10,12
    ,14H,8,11,13H2,1H3,(H,22,
    23,24)/t14-/m1/s1;
    GDSSVNNRCKMPPZ-CQSZACIVSA-N    		 COc1ccc(cc1)n2c3c(cnc(n3)N[C@@H]4CCN(C4)
    c5ccncc5)nn2; COc1ccc(cc1)n2nnc3cnc(N[CH
    ]4CCN(C4)c5ccncc5)nc23; COc1ccc(cc1)n2nn
    c3cnc(N[C@@H]4CCN(C4)c5ccncc5)nc23; COc1
    ccc(cc1)n2c3c(cnc(n3)NC4CCN(C4)c5ccncc5)
    nn2    		 3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
    32420 OWR 0 C16 H17 N2 O6 P InChI=1S/C16H17N2O6P/c19-
    14-7-16(24-15(14)8-23-25(
    20,21)22)18-9-17-12-5-10-
    3-1-2-4-11(10)6-13(12)18/
    h1-6,9,14-16,19H,7-8H2,(H
    2,20,21,22)/t14-,15+,16+/
    m0/s1;
    HNXFPKXDQSBACZ-ARFHVFGLSA-N    		 O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3cc
    4ccccc4cc23; O=P(O)(O)OCC1OC(CC1O)n1cnc2
    cc3ccccc3cc21; c1ccc2cc3c(cc2c1)ncn3[C@H
    ]4C[C@@H]([C@H](O4)COP(=O)(O)O)O; O[C@H]
    1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3cc4
    ccccc4cc23; c1ccc2cc3c(cc2c1)ncn3C4CC(C(
    O4)COP(=O)(O)O)O    		 1-[2-deoxy-5-O-(dihydroxyphosphanyl)-beta-D-erythro-pentofuranosyl]-1H-naphtho[2,3-d]imidazole
    32421 OWS
    ZINC000043011306    		 1 C31 H30 N6 O3 InChI=1S/C31H30N6O3/c1-19
    -8-10-21(11-9-19)28-25-7-
    5-4-6-23(25)18-35-37(28)2
    7(38)13-12-22-14-20(16-26
    (39-2)29(22)40-3)15-24-17
    -34-31(33)36-30(24)32/h4-
    14,16-18,28H,15H2,1-3H3,(
    H4,32,33,34,36)/b13-12+/t
    28-/m0/s1;
    YQJQZCMRSICFNE-DTQJJDMLSA-N    		 COc1cc(Cc2cnc(N)nc2N)cc(C=CC(=O)N3N=Cc4c
    cccc4[CH]3c5ccc(C)cc5)c1OC; Cc1ccc(cc1)[
    C@H]2c3ccccc3C=NN2C(=O)/C=C/c4cc(cc(c4OC
    )OC)Cc5cnc(nc5N)N; C2(c1ccccc1C=NN2C([C@
    H]=[C@H]c3cc(cc(c3OC)OC)Cc4c(nc(N)nc4)N)
    =O)c5ccc(C)cc5; Cc1ccc(cc1)C2c3ccccc3C=N
    N2C(=O)C=Cc4cc(cc(c4OC)OC)Cc5cnc(nc5N)N;
    COc1cc(Cc2cnc(N)nc2N)cc(\C=C\C(=O)N3N=C
    c4ccccc4[C@@H]3c5ccc(C)cc5)c1OC    		 (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(4-methylphenyl)phthalazin-2(1H)-yl]prop-2-en-1-one
    32422 OWT 1 C45 H55 F N10 O13 InChI=1S/C45H55FN10O13/c1
    -28(57)48-24-31-26-56(45(
    66)69-31)30-11-12-36(34(4
    6)22-30)53-14-16-54(17-15
    -53)39(60)27-68-21-20-67-
    19-18-55-25-29(51-52-55)2
    3-49-44(65)35(50-43(64)33
    -7-5-10-38(59)41(33)62)8-
    2-3-13-47-42(63)32-6-4-9-
    37(58)40(32)61/h4-7,9-12,
    22,25,31,35,58-59,61-62H,
    2-3,8,13-21,23-24,26-27H2
    ,1H3,(H,47,63)(H,48,57)(H
    ,49,65)(H,50,64)/t31?,35-
    /m0/s1;
    MCQYNUWYVGRUPW-IKAUJVHPSA-N    		 CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN(
    CC3)C(=O)COCCOCCn4cc(nn4)CNC(=O)[C@H](CC
    CCNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O;
    CC(=O)NCC1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(
    =O)COCCOCCn4cc(CNC(=O)[CH](CCCCNC(=O)c5c
    ccc(O)c5O)NC(=O)c6cccc(O)c6O)nn4)c(F)c2;
    CC(=O)NCC1CN(C(=O)O1)c2ccc(N3CCN(CC3)C(
    =O)COCCOCCn4cc(CNC(=O)[C@H](CCCCNC(=O)c5
    cccc(O)c5O)NC(=O)c6cccc(O)c6O)nn4)c(F)c2
    ; CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CC
    N(CC3)C(=O)COCCOCCn4cc(nn4)CNC(=O)C(CCCC
    NC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O    		 ~{N}-[(5~{S})-6-azanyl-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide
    32423 OWU 2 C27 H33 N13 O9 S InChI=1S/C27H33N13O9S/c28
    -22-16-24(33-9-31-22)39(1
    1-35-16)26-20(44)19(43)13
    (49-26)7-38-4-1-2-14-37-1
    7-23(29)32-10-34-25(17)40
    (14)27-21(45)18(42)12(48-
    27)6-36-50(46,47)5-3-30-1
    5(41)8-38/h9-13,18-21,26-
    27,36,42-45H,3-8H2,(H,30,
    41)(H2,28,31,33)(H2,29,32
    ,34)/t12-,13-,18-,19-,20-
    ,21-,26-,27-/m1/s1;
    YJUQOPPJKJBQQN-GMIOVBLFSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CN4CC#Cc5nc6c(ncnc6n5[C@H]7[C@@H]
    ([C@@H]([C@H](O7)CNS(=O)(=O)CCNC(=O)C4)O
    )O)N)O)O)N; Nc1ncnc2n(cnc12)[CH]3O[CH](C
    N4CC#Cc5nc6c(N)ncnc6n5[CH]7O[CH](CN[S](=
    O)(=O)CCNC(=O)C4)[CH](O)[CH]7O)[CH](O)[C
    H]3O; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CN4C
    C#Cc5nc6c(N)ncnc6n5[C@@H]7O[C@H](CN[S](=
    O)(=O)CCNC(=O)C4)[C@@H](O)[C@H]7O)[C@@H]
    (O)[C@H]3O; c1nc(c2c(n1)n(cn2)C3C(C(C(O3
    )CN4CC#Cc5nc6c(ncnc6n5C7C(C(C(O7)CNS(=O)
    (=O)CCNC(=O)C4)O)O)N)O)O)N    		 (1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-20,20-bis(oxidanylidene)-26-oxa-20$l^{6}-thia-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3,5,7,9-tetraen-11-yn-16-one
    32424 OWV 1 C29 H36 N6 O3 InChI=1S/C29H36N6O3/c1-5-
    19(6-2)26-23-10-8-7-9-21(
    23)17-33-35(26)25(36)12-1
    1-20-13-18(15-24(37-3)27(
    20)38-4)14-22-16-32-29(31
    )34-28(22)30/h7-13,15-16,
    19,26,33H,5-6,14,17H2,1-4
    H3,(H4,30,31,32,34)/b12-1
    1+/t26-/m0/s1;
    NVYBVAIPWQNGSG-GIPLCNRYSA-N    		 c3(\C=C\C(N2C(c1ccccc1CN2)C(CC)CC)=O)cc(
    cc(c3OC)OC)Cc4c(nc(N)nc4)N; CCC(CC)[C@H]
    1c2ccccc2CNN1C(=O)/C=C/c3cc(cc(c3OC)OC)C
    c4cnc(nc4N)N; CCC(CC)C1c2ccccc2CNN1C(=O)
    C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N; CCC(CC
    )[C@@H]1N(NCc2ccccc12)C(=O)/C=C/c3cc(Cc4
    cnc(N)nc4N)cc(OC)c3OC; CCC(CC)[CH]1N(NCc
    2ccccc12)C(=O)C=Cc3cc(Cc4cnc(N)nc4N)cc(O
    C)c3OC    		 (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(pentan-3-yl)-3,4-dihydrophthalazin-2(1H)-yl]prop-2-en-1-one
    32425 OWW 1 C28 H26 F3 N3 O4 InChI=1S/C28H26F3N3O4/c1-
    19(34(37)27(32)36)10-11-2
    0-6-5-9-23(18-20)26(35)33
    -17-16-25(21-7-3-2-4-8-21
    )22-12-14-24(15-13-22)38-
    28(29,30)31/h2-9,12-15,18
    -19,25,37H,16-17H2,1H3,(H
    2,32,36)(H,33,35)/t19-,25
    +/m1/s1;
    HQXPQGGUDYBGKG-CLOONOSVSA-N    		 C[C@H](C#Cc1cccc(c1)C(=O)NCC[C@@H](c2ccc
    cc2)c3ccc(cc3)OC(F)(F)F)N(C(=O)N)O; C[CH
    ](C#Cc1cccc(c1)C(=O)NCC[CH](c2ccccc2)c3c
    cc(OC(F)(F)F)cc3)N(O)C(N)=O; CC(C#Cc1ccc
    c(c1)C(=O)NCCC(c2ccccc2)c3ccc(cc3)OC(F)(
    F)F)N(C(=O)N)O; C[C@H](C#Cc1cccc(c1)C(=O
    )NCC[C@@H](c2ccccc2)c3ccc(OC(F)(F)F)cc3)
    N(O)C(N)=O    		 3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide
    32426 OWX 1 C16 H16 Cl N3 O InChI=1S/C16H16ClN3O/c17-
    12-4-1-3-11(7-12)8-16(21)
    20-15-10-18-9-14-13(15)5-
    2-6-19-14/h1,3-4,7,9-10,1
    9H,2,5-6,8H2,(H,20,21);
    CVTLEGSZWVPMPP-UHFFFAOYSA-N    		 Clc1cccc(CC(=O)Nc2cncc3NCCCc23)c1; Clc1c
    ccc(c1)CC(=O)Nc1cncc2NCCCc12; c1cc(cc(c1
    )Cl)CC(=O)Nc2cncc3c2CCCN3    		 2-(3-chlorophenyl)-N-(1,2,3,4-tetrahydro-1,7-naphthyridin-5-yl)acetamide
    32427 OWY 2 C31 H39 N3 O2 InChI=1S/C31H39N3O2/c1-5-
    32(6-2)31(36)27-17-15-26(
    16-18-27)30(28-13-10-14-2
    9(35)19-28)34-21-23(3)33(
    20-24(34)4)22-25-11-8-7-9
    -12-25/h7-19,23-24,30,35H
    ,5-6,20-22H2,1-4H3/t23-,2
    4+,30-/m1/s1;
    PQMGDEIHRXQPCQ-FSGGQHMVSA-N    		 CCN(CC)C(=O)c1ccc(cc1)[C@H](c2cccc(c2)O)
    N3C[C@H](N(C[C@@H]3C)Cc4ccccc4)C; CCN(CC
    )C(=O)c1ccc(cc1)[C@@H](N2C[C@@H](C)N(C[C
    @@H]2C)Cc3ccccc3)c4cccc(O)c4; CCN(CC)C(c
    1ccc(cc1)C(c2cccc(c2)O)N3C(CN(C(C3)C)Cc4
    ccccc4)C)=O; CCN(CC)C(=O)c1ccc(cc1)C(c2c
    ccc(c2)O)N3CC(N(CC3C)Cc4ccccc4)C; CCN(CC
    )C(=O)c1ccc(cc1)[CH](N2C[CH](C)N(C[CH]2C
    )Cc3ccccc3)c4cccc(O)c4    		 4-[(R)-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
    32428 OWZ
    ZINC000032012607    		 4 C11 H14 Cl N O InChI=1S/C11H14ClNO/c1-8-
    7-14-11(6-13-8)9-4-2-3-5-
    10(9)12/h2-5,8,11,13H,6-7
    H2,1H3/t8-,11-/m0/s1;
    MCDIIVJZXXFTDP-KWQFWETISA-N    		 C[C@H]1CO[C@@H](CN1)c2ccccc2Cl; CC1COC(C
    N1)c2ccccc2Cl; C[CH]1CO[CH](CN1)c2ccccc2
    Cl    		 (2~{R},5~{S})-2-(2-chlorophenyl)-5-methyl-morpholine
    32429 OX 0 O InChI=1/H2O/h1H2;
    XLYOFNOQVPJJNP-UHFFFAOYAF    		 O; [O] BOUND OXYGEN
    32430 OX0 14 C25 H23 Cl N4 O InChI=1S/C25H23ClN4O/c1-2
    -18-4-3-5-20(14-18)15-28-
    12-10-23-22(17-28)24(31)3
    0(25-27-11-13-29(23)25)16
    -19-6-8-21(26)9-7-19/h1,3
    -9,14H,10-13,15-17H2;
    ZVMMRPKNIIGQEN-UHFFFAOYSA-N    		 Clc1ccc(cc1)CN1C2=NCCN2C=2CCN(Cc3cccc(C#
    C)c3)CC=2C1=O; Clc1ccc(CN2C(=O)C3=C(CCN(
    Cc4cccc(c4)C#C)C3)N5CCN=C25)cc1; C#Cc1cc
    cc(c1)CN2CCC3=C(C2)C(=O)N(C4=NCCN34)Cc5c
    cc(cc5)Cl    		 (10R)-4-[(4-chlorophenyl)methyl]-7-[(3-ethynylphenyl)methyl]-2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one
    32431 OX1
    DB08332    		 2 C18 H16 O4 InChI=1S/C18H16O4/c1-17-1
    2-6-2-4-8-14(12)18(22-21-
    17,11-10-16(19)20)15-9-5-
    3-7-13(15)17/h2-9H,10-11H
    2,1H3,(H,19,20)/t17-,18+;
    IOWYALZFEJOVHO-HDICACEKSA-N    		 CC12c3ccccc3C(c4c1cccc4)(OO2)CCC(=O)O; C
    [C]12OO[C](CCC(O)=O)(c3ccccc13)c4ccccc24
    ; C[C@@]12OO[C@@](CCC(O)=O)(c3ccccc13)c4
    ccccc24; O=C(O)CCC24OOC(c1ccccc12)(c3c4c
    ccc3)C    		 [2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE
    32432 OX2
    CHEMBL540929
    DB03354
    ZINC000016051658    		 1 C9 H14 N2 O6 InChI=1S/C9H14N2O6/c1-3-1
    0-11-9(16-3)8-7(15)6(14)5
    (13)4(2-12)17-8/h4-8,12-1
    5H,2H2,1H3/t4-,5-,6+,7-,8
    -/m1/s1;
    HCSFWJQLIPWUFZ-JAJWTYFOSA-N    		 Cc1nnc(o1)[C@H]2[C@@H]([C@H]([C@@H]([C@H
    ](O2)CO)O)O)O; Cc1oc(nn1)[CH]2O[CH](CO)[
    CH](O)[CH](O)[CH]2O; Cc1oc(nn1)[C@@H]2O[
    C@H](CO)[C@@H](O)[C@H](O)[C@H]2O; Cc1nnc
    (o1)C2C(C(C(C(O2)CO)O)O)O; OC1C(O)C(O)C(
    OC1CO)c2nnc(o2)C    		 (1R)-1,5-anhydro-1-(5-methyl-1,3,4-oxadiazol-2-yl)-D-glucitol;
    2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1,3,4-OXADIAZOLE
    32433 OX3
    CHEMBL253951
    DB08333
    ZINC000038624499    		 4 C14 H17 N O3 InChI=1S/C14H17NO3/c16-13
    -8-6-11(7-9-13)10-15-18-1
    4(17)12-4-2-1-3-5-12/h6-1
    0,12,16H,1-5H2/b15-10+;
    YWZBYSBZDQWXGQ-XNTDXEJSSA-N    		 Oc1ccc(cc1)\C=N\OC(=O)C2CCCCC2; Oc1ccc(c
    c1)C=NOC(=O)C2CCCCC2; O=C(O\N=C\c1ccc(O)
    cc1)C2CCCCC2; c1cc(ccc1C=NOC(=O)C2CCCCC2
    )O    		 4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME
    32434 OX4
    DB08334
    ZINC000016052313    		 3 C14 H16 F N O3 InChI=1S/C14H16FNO3/c15-1
    2-8-10(6-7-13(12)17)9-16-
    19-14(18)11-4-2-1-3-5-11/
    h6-9,11,17H,1-5H2/b16-9+;
    NPVNUGQNVVMJJP-CXUHLZMHSA-N    		 c1cc(c(cc1\C=N\OC(=O)C2CCCCC2)F)O; O=C(O
    \N=C\c1ccc(O)c(F)c1)C2CCCCC2; Oc1ccc(\C=
    N\OC(=O)C2CCCCC2)cc1F; Oc1ccc(C=NOC(=O)C
    2CCCCC2)cc1F; c1cc(c(cc1C=NOC(=O)C2CCCCC
    2)F)O    		 3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME
    32435 OX5
    CHEMBL256315
    DB08335
    ZINC000034633620    		 4 C13 H17 N O3 InChI=1S/C13H17NO3/c1-13(
    2,3)8-12(16)17-14-9-10-4-
    6-11(15)7-5-10/h4-7,9,15H
    ,8H2,1-3H3/b14-9+;
    IRHAIEVALGHVLW-NTEUORMPSA-N    		 CC(C)(C)CC(=O)ON=Cc1ccc(cc1)O; CC(C)(C)C
    C(=O)ON=Cc1ccc(O)cc1; CC(C)(C)CC(=O)O/N=
    C/c1ccc(cc1)O; CC(C)(C)CC(=O)O/N=C/c1ccc
    (O)cc1; O=C(O\N=C\c1ccc(O)cc1)CC(C)(C)C    		 4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME
    32436 OX6
    DB08336
    ZINC000053683093    		 1 C11 H19 N3 O3 InChI=1S/C11H19N3O3/c1-7(
    2)8(9-14-12-6-16-9)13-10(
    15)17-11(3,4)5/h6-8H,1-5H
    3,(H,13,15)/t8-/m1/s1;
    PARUDDGQWSBIIO-MRVPVSSYSA-N    		 CC(C)C(c1nnco1)NC(=O)OC(C)(C)C; CC(C)[CH
    ](NC(=O)OC(C)(C)C)c1ocnn1; O=C(OC(C)(C)C
    )NC(c1nnco1)C(C)C; CC(C)[C@H](c1nnco1)NC
    (=O)OC(C)(C)C; CC(C)[C@@H](NC(=O)OC(C)(C
    )C)c1ocnn1    		 TERT-BUTYL [(1R)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE
    32437 OX7
    DB08337
    ZINC000053683095    		 1 C11 H19 N3 O3 InChI=1S/C11H19N3O3/c1-7(
    2)8(9-14-12-6-16-9)13-10(
    15)17-11(3,4)5/h6-8H,1-5H
    3,(H,13,15)/t8-/m0/s1;
    PARUDDGQWSBIIO-QMMMGPOBSA-N    		 CC(C)C(c1nnco1)NC(=O)OC(C)(C)C; CC(C)[CH
    ](NC(=O)OC(C)(C)C)c1ocnn1; O=C(OC(C)(C)C
    )NC(c1nnco1)C(C)C; CC(C)[C@H](NC(=O)OC(C
    )(C)C)c1ocnn1; CC(C)[C@@H](c1nnco1)NC(=O
    )OC(C)(C)C    		 TERT-BUTYL [(1S)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE
    32438 OX8
    ZINC000005133869    		 5 C18 H32 N4 O6 InChI=1S/C18H32N4O6/c23-1
    5-7-10-18(26)22(28)14-6-2
    -4-12-20-16(24)8-9-17(25)
    21(27)13-5-1-3-11-19-15/h
    27-28H,1-14H2,(H,19,23)(H
    ,20,24);
    GTADQMQBQBOJIO-UHFFFAOYSA-N    		 ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1
    =O; C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O
    )N(CC1)O)O    		 1,12-bis(oxidanyl)-1,6,12,17-tetrazacyclodocosane-2,5,13,16-tetrone
    32439 OX9
    CHEMBL287542
    ZINC000004181896    		 2 C19 H11 Cl2 I2 N O3 InChI=1S/C19H11Cl2I2NO3/c
    20-10-1-4-13(5-2-10)27-17
    -6-3-12(9-15(17)21)24-19(
    26)14-7-11(22)8-16(23)18(
    14)25/h1-9,25H,(H,24,26);
    NEMNPWINWMHUMR-UHFFFAOYSA-N    		 c1cc(ccc1Oc2ccc(cc2Cl)NC(=O)c3cc(cc(c3O)
    I)I)Cl; Oc1c(I)cc(I)cc1C(=O)Nc2ccc(Oc3cc
    c(Cl)cc3)c(Cl)c2    		 ~{N}-[3-chloranyl-4-(4-chloranylphenoxy)phenyl]-3,5-bis(iodanyl)-2-oxidanyl-benzamide;
    rafoxanide
    32440 OXA 0 C2 H5 O InChI=1/C2H6O/c1-2-3/h3H,
    2H2,1H3;
    LFQSCWFLJHTTHZ-UHFFFAOYAB    		 OCC; CC[O] OXYDIMETHYLENE GROUP
    32441 OXB
    ZINC000107064426    		 1 C16 H26 N2 O3 S InChI=1S/C16H26N2O3S/c1-1
    2-5-6-13(2)15(9-12)16-10-
    18(14(3)11-21-16)7-4-8-22
    (17,19)20/h5-6,9,14,16H,4
    ,7-8,10-11H2,1-3H3,(H2,17
    ,19,20)/t14-,16-/m0/s1;
    RPZOSPHGNMRGDR-HOCLYGCPSA-N    		 Cc1ccc(c(c1)C2CN(C(CO2)C)CCCS(=O)(=O)N)C
    ; Cc1ccc(c(c1)[C@@H]2CN([C@H](CO2)C)CCCS
    (=O)(=O)N)C; C[C@H]1CO[C@@H](CN1CCC[S](N
    )(=O)=O)c2cc(C)ccc2C; C[CH]1CO[CH](CN1CC
    C[S](N)(=O)=O)c2cc(C)ccc2C    		 3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide
    32442 OXC
    ZINC000001572549    		 3 C4 H5 N3 O4 InChI=1S/C4H5N3O4/c8-2(9)
    1-5-3(10)7-4(11)6-1/h1H,(
    H,8,9)(H3,5,6,7,10,11);
    IRFZLMWJJPULRF-UHFFFAOYSA-N    		 C1(NC(=O)NC(=O)N1)C(=O)O; OC(=O)C1NC(=O)
    NC(=O)N1; O=C1NC(C(=O)O)NC(=O)N1    		 OXONIC ACID
    32443 OXD
    CHEMBL146755
    DB03902
    ZINC000006021239    		 52 C2 H2 O4 InChI=1S/C2H2O4/c3-1(4)2(
    5)6/h(H,3,4)(H,5,6);
    MUBZPKHOEPUJKR-UHFFFAOYSA-N    		 OC(=O)C(O)=O; O=C(O)C(=O)O; C(=O)(C(=O)O
    )O    		 OXALIC ACID
    32444 OXE
    CHEMBL45005
    ZINC000000968282    		 7 C8 H10 InChI=1S/C8H10/c1-7-5-3-4
    -6-8(7)2/h3-6H,1-2H3;
    CTQNGGLPUBDAKN-UHFFFAOYSA-N    		 Cc1ccccc1C; c1cccc(c1C)C ORTHO-XYLENE
    32445 OXF 1 C21 H28 N2 O3 InChI=1S/C21H28N2O3/c24-1
    4-16-25-15-13-22-9-11-23(
    12-10-22)18-19-5-4-8-21(1
    7-19)26-20-6-2-1-3-7-20/h
    1-8,17,24H,9-16,18H2;
    SHDFUNGIHDOLQM-UHFFFAOYSA-N    		 OCCOCCN1CCN(CC1)Cc2cccc(Oc3ccccc3)c2; c1
    ccc(cc1)Oc2cccc(c2)CN3CCN(CC3)CCOCCO    		 2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol;
    ZK-756326
    32446 OXG 9 C5 H3 N5 O2 InChI=1S/C5H3N5O2/c6-4-8-
    2-1(3(11)10-4)7-5(12)9-2/
    h(H3,6,8,9,10,11,12);
    UBKVUFQGVWHZIR-UHFFFAOYSA-N    		 NC1=NC2=NC(=O)N=C2C(=O)N1; O=C1C2=NC(=O)
    N=C2N=C(N1)N; C12=NC(=O)N=C1N=C(NC2=O)N    		 8-OXOGUANINE
    32447 OXI
    CHEMBL416755
    DB13627
    ZINC000000001875    		 0 C13 H11 N O5 InChI=1S/C13H11NO5/c1-2-1
    4-5-8(13(16)17)12(15)7-3-
    10-11(4-9(7)14)19-6-18-10
    /h3-5H,2,6H2,1H3,(H,16,17
    );
    KYGZCKSPAKDVKC-UHFFFAOYSA-N    		 CCN1C=C(C(=O)c2c1cc3c(c2)OCO3)C(=O)O; O=
    C1c3c(N(C=C1C(=O)O)CC)cc2OCOc2c3; CCN1C=
    C(C(O)=O)C(=O)c2cc3OCOc3cc12    		 OXOLINIC ACID
    32448 OXJ
    ZINC000083418805    		 0 C10 H9 F6 N InChI=1S/C10H9F6N/c1-17-5
    -6-2-7(9(11,12)13)4-8(3-6
    )10(14,15)16/h2-4,17H,5H2
    ,1H3;
    ADTNSTHKMIPKIJ-UHFFFAOYSA-N    		 CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F 1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine
    32449 OXK
    ZINC000008551141    		 4 C23 H36 N7 O19 P3 S InChI=1S/C23H36N7O19P3S/c
    1-23(2,16(33)19(34)26-4-3
    -12(31)25-5-6-53-22(37)21
    (35)36)8-46-52(43,44)49-5
    1(41,42)45-7-11-15(48-50(
    38,39)40)14(32)20(47-11)3
    0-10-29-13-17(24)27-9-28-
    18(13)30/h9-11,14-16,20,3
    2-33H,3-8H2,1-2H3,(H,25,3
    1)(H,26,34)(H,35,36)(H,41
    ,42)(H,43,44)(H2,24,27,28
    )(H2,38,39,40)/t11-,14-,1
    5-,16+,20-/m1/s1;
    QVXMZFTWJVBUHP-IBOSZNHHSA-N    		 CC(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)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C(O)=O;
    CC(C)(CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]
    1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cn
    c3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCSC
    (=O)C(O)=O; CC(C)(COP(=O)(O)OP(=O)(O)OCC
    1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(
    C(=O)NCCC(=O)NCCSC(=O)C(=O)O)O; O=C(O)C(
    =O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O
    )OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3
    OP(=O)(O)O; CC(C)(CO[P@](=O)(O)O[P@@](=O
    )(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc
    3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=
    O)NCCSC(=O)C(=O)O)O    		 OXALYL-COENZYME A
    32450 OXL 663 C2 O4 InChI=1S/C2H2O4/c3-1(4)2(
    5)6/h(H,3,4)(H,5,6)/p-2;
    MUBZPKHOEPUJKR-UHFFFAOYSA-L    		 [O-]C(=O)C([O-])=O; C(=O)(C(=O)[O-])[O-] OXALATE ION
    32451 OXM
    CHEMBL15976
    DB03940
    ZINC000004658565    		 0 C2 H3 N O3 InChI=1S/C2H3NO3/c3-1(4)2
    (5)6/h(H2,3,4)(H,5,6);
    SOWBFZRMHSNYGE-UHFFFAOYSA-N    		 C(=O)(C(=O)O)N; O=C(N)C(=O)O; NC(=O)C(O)
    =O    		 OXAMIC ACID
    32452 OXN
    CHEMBL1235043
    ZINC000058633062    		 13 C34 H62 O11 InChI=1S/C34H62O11/c1-33(
    2,3)30-34(4,5)31-6-8-32(9
    -7-31)45-29-28-44-27-26-4
    3-25-24-42-23-22-41-21-20
    -40-19-18-39-17-16-38-15-
    14-37-13-12-36-11-10-35/h
    6-9,35H,10-30H2,1-5H3;
    IVKNZCBNXPYYKL-UHFFFAOYSA-N    		 O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOCC
    OCCOCCOCCOCCOCCOCCO; CC(C)(C)CC(C)(C)c1c
    cc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO;
    CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCC
    OCCOCCOCCOCCO)cc1    		 OXTOXYNOL-10;
    ALPHA-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENYL]-OMEGA-HYDROXYPOLY(OXY-1,2-ETHANEDIYL);
    TRITON X-100
    32453 OXO 0 O InChI=1/H2O/h1H2;
    XLYOFNOQVPJJNP-UHFFFAOYAF    		 O; [O] OXO GROUP
    32454 OXP
    DB02005    		 7 C5 H6 O3 InChI=1S/C5H6O3/c1-2-3-4(
    6)5(7)8/h2-3H,1H3,(H,7,8)
    /b3-2-;
    IWARWSDDJHGZOW-IHWYPQMZSA-N    		 C\C=C/C(=O)C(O)=O; CC=CC(=O)C(O)=O; O=C(
    \C=C/C)C(=O)O; C\C=C/C(=O)C(=O)O; CC=CC(
    =O)C(=O)O    		 2-OXO-3-PENTENOIC ACID
    32455 OXQ
    CHEMBL1235045
    DB02401
    ZINC000006523895    		 11 C3 H2 N2 O4 InChI=1S/C3H2N2O4/c6-2-1(
    3(7)8)4-9-5-2/h(H,5,6)(H,
    7,8);
    IBRWUZLLHSXPKL-UHFFFAOYSA-N    		 c1(c(non1)O)C(=O)O; OC(=O)c1nonc1O; O=C(
    O)c1nonc1O    		 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID
    32456 OXR
    DB02699
    ZINC000012502479    		 2 C20 H28 O2 InChI=1S/C20H28O2/c1-15(7
    -6-8-16(2)12-14-21)9-10-1
    8-17(3)19(22)11-13-20(18,
    4)5/h6-10,12,21H,11,13-14
    H2,1-5H3/b8-6+,10-9+,15-7
    +,16-12+;
    PLIUCYCUYQIBDZ-RMWYGNQTSA-N    		 CC1=C(C(CCC1=O)(C)C)\C=C\C(=C\C=C\C(=C\C
    O)\C)\C; CC(=CCO)C=CC=C(C)C=CC1=C(C)C(=O
    )CCC1(C)C; CC(=C\CO)/C=C/C=C(C)/C=C/C1=C
    (C)C(=O)CCC1(C)C; CC1=C(C(CCC1=O)(C)C)C=
    CC(=CC=CC(=CCO)C)C; O=C1C(=C(\C=C\C(=C\C
    =C\C(=C\CO)C)C)C(C)(C)CC1)C    		 4-OXORETINOL
    32457 OXS
    DB02190
    ZINC000001530145    		 1 C6 H6 O7 InChI=1S/C6H6O7/c7-3(8)1-
    2(5(10)11)4(9)6(12)13/h2H
    ,1H2,(H,7,8)(H,10,11)(H,1
    2,13)/t2-/m0/s1;
    UFSCUAXLTRFIDC-REOHCLBHSA-N    		 O=C(O)CC(C(=O)C(=O)O)C(=O)O; C(C(C(=O)C(
    =O)O)C(=O)O)C(=O)O; OC(=O)C[C@H](C(O)=O)
    C(=O)C(O)=O; C([C@@H](C(=O)C(=O)O)C(=O)O
    )C(=O)O; OC(=O)C[CH](C(O)=O)C(=O)C(O)=O    		 2-OXALOSUCCINIC ACID
    32458 OXT 5 C34 H55 N11 O24 P5 S2 InChI=1S/C34H54N11O24P5S2
    /c1-17-21(6-9-63-72(57,58
    )68-71(54,55)56)76-32(44(
    17)12-19-11-39-18(2)43-27
    (19)35)33(50)75-10-8-37-2
    2(46)5-7-38-30(49)26(48)3
    4(3,4)14-65-74(61,62)69-7
    3(59,60)64-13-20-25(67-70
    (51,52)53)24(47)31(66-20)
    45-16-42-23-28(36)40-15-4
    1-29(23)45/h11,15-16,20,2
    4-26,31,33,47-48,50H,5-10
    ,12-14H2,1-4H3,(H12-,35,3
    6,37,38,39,40,41,43,46,49
    ,51,52,53,54,55,56,57,58,
    59,60,61,62)/p+1/t20-,24-
    ,25-,26+,31-,33-/m1/s1;
    YQBMKRANULMYDX-JUQVGMLLSA-O    		 Cc1ncc(C[n+]2c(C)c(CCO[P@](O)(=O)O[P](O)
    (O)=O)sc2[C@H](O)SCCNC(=O)CCNC(=O)[C@H](
    O)C(C)(C)CO[P@@](O)(=O)O[P@@](O)(=O)OC[C
    @H]3O[C@H]([C@H](O)[C@@H]3O[P](O)(O)=O)n
    4cnc5c(N)ncnc45)c(N)n1; Cc1c(sc([n+]1Cc2
    cnc(nc2N)C)[C@H](O)SCCNC(=O)CCNC(=O)[C@@
    H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@
    @H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N
    )O)OP(=O)(O)O)O)CCO[P@@](=O)(O)OP(=O)(O)
    O; Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(O)SCCNC(
    =O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)O
    CC3C(C(C(O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)
    O)CCOP(=O)(O)OP(=O)(O)O; O=P(O)(O)OC1C(O
    )C(OC1COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(
    =O)NCCC(=O)NCCSC(O)c2sc(c([n+]2Cc3cnc(nc
    3N)C)C)CCOP(=O)(O)OP(=O)(O)O)n4c5ncnc(N)
    c5nc4; Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O
    [P](O)(O)=O)sc2[CH](O)SCCNC(=O)CCNC(=O)[
    CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C
    H]3O[CH]([CH](O)[CH]3O[P](O)(O)=O)n4cnc5
    c(N)ncnc45)c(N)n1    		 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1R,11R,15S,17R)-19-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]-1,11,15,17-TETRAHYDROXY-12,12-DIMETHYL-15,17-DIOXIDO-6,10-DIOXO-14,16,18-TRIOXA-2-THIA-5,9-DIAZA-15,17-DIPHOSPHANONADEC-1-YL}-5-(2-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM
    32459 OXU
    CHEMBL1697693
    ZINC000059066260    		 2 C2 H6 Br N InChI=1S/C2H6BrN/c3-1-2-4
    /h1-2,4H2;
    IZQAUUVBKYXMET-UHFFFAOYSA-N    		 NCCBr; C(CBr)N 2-bromanylethanamine
    32460 OXV 0 C33 H44 N4 O5 S InChI=1S/C33H44N4O5S/c1-3
    -4-13-31(38)34-15-18-40-2
    0-22-42-23-21-41-19-16-35
    -32(39)25-37-29-11-7-8-12
    -30(29)43-33(37)24-26-14-
    17-36(2)28-10-6-5-9-27(26
    )28/h5-12,14,17H,3-4,13,1
    5-16,18-25H2,1-2H3,(H,34,
    38)(H,35,39);
    HYWIHCYNOZASJE-UHFFFAOYSA-N    		 CCCCC(=O)NCCOCCOCCOCCNC(=O)C[n]1c(Cc2cc[
    n](C)c3ccccc23)sc4ccccc14; CCCCC(=O)NCCO
    CCOCCOCCNC(=O)C[N]1=C(Sc2c1cccc2)CC3=CC=
    [N](c4c3cccc4)C    		 ~{N}-[2-[2-[2-[2-[2-[2-[(1-methylquinolin-4-yl)methyl]-1,3-benzothiazol-3-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
    32461 OXW
    CHEMBL4757911    		 4 C20 H19 F N10 InChI=1S/C20H19FN10/c1-29
    -6-4-16(5-7-29)30-12-15(1
    0-24-30)25-20-23-11-17-19
    (26-20)31(28-27-17)18-3-2
    -14(21)8-13(18)9-22/h2-3,
    8,10-12,16H,4-7H2,1H3,(H,
    23,25,26);
    AWEOBSGKFWBFJW-UHFFFAOYSA-N    		 CN1CCC(CC1)n2cc(cn2)Nc3ncc4c(n3)n(nn4)c5
    ccc(cc5C#N)F; CN1CCC(CC1)n2cc(Nc3ncc4nnn
    (c5ccc(F)cc5C#N)c4n3)cn2    		 5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile
    32462 OXX 0 C6 H6 N O7 InChI=1S/C6H7NO7/c7-2(4(9
    )10)1-3(8)14-6(13)5(11)12
    /h2H,1,7H2,(H,9,10)(H,11,
    12)/p-1/t2-/m0/s1;
    KIMLIGRTULKOOV-REOHCLBHSA-M    		 N[CH](CC(=O)OC(=O)C([O-])=O)C(O)=O; C([C
    @@H](C(=O)O)N)C(=O)OC(=O)C(=O)[O-]; N[C@
    @H](CC(=O)OC(=O)C([O-])=O)C(O)=O; C(C(C(
    =O)O)N)C(=O)OC(=O)C(=O)[O-]; O=C(OC(=O)C
    C(N)C(=O)O)C([O-])=O    		 OXALYL-ASPARTYL ANHYDRIDE
    32463 OXY
    CHEMBL1234886
    DB09140    		 952 O2 InChI=1S/O2/c1-2;
    MYMOFIZGZYHOMD-UHFFFAOYSA-N    		 O=O OXYGEN MOLECULE
    32464 OXZ
    CHEMBL1213467
    DB03862    		 6 C5 H11 N O4 InChI=1S/C5H11NO4/c7-2-4-
    5(9)3(8)1-6-10-4/h3-9H,1-
    2H2/t3-,4-,5+/m1/s1;
    KHVCOYGKHDJPBZ-WDCZJNDASA-N    		 OC1C(ONCC1O)CO; OC[C@H]1ONC[C@@H](O)[C@@
    H]1O; C1C(C(C(ON1)CO)O)O; OC[CH]1ONC[CH]
    (O)[CH]1O; C1[C@H]([C@@H]([C@H](ON1)CO)O
    )O    		 TETRAHYDROOXAZINE
    32465 OY0
    CHEMBL2430111
    ZINC000049047292    		 1 C15 H24 N2 O3 S InChI=1S/C15H24N2O3S/c1-5
    -6-13(15(2,3)4)14(18)17-1
    1-7-9-12(10-8-11)21(16,19
    )20/h7-10,13H,5-6H2,1-4H3
    ,(H,17,18)(H2,16,19,20)/t
    13-/m1/s1;
    WYSWMHFXVFMYFI-CYBMUJFWSA-N    		 CCC[CH](C(=O)Nc1ccc(cc1)[S](N)(=O)=O)C(C
    )(C)C; CCC[C@H](C(=O)Nc1ccc(cc1)[S](N)(=
    O)=O)C(C)(C)C; CCC[C@H](C(=O)Nc1ccc(cc1)
    S(=O)(=O)N)C(C)(C)C; CCCC(C(=O)Nc1ccc(cc
    1)S(=O)(=O)N)C(C)(C)C; O=S(=O)(N)c1ccc(N
    C(=O)C(CCC)C(C)(C)C)cc1    		 (2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide
    32466 OY2 1 C15 H20 N2 O3 InChI=1S/C15H20N2O3/c1-4-
    14(18)17-9-8-16(5-2)13-10
    -11(15(19)20-3)6-7-12(13)
    17/h6-7,10H,4-5,8-9H2,1-3
    H3;
    QDHABPUVVIONNJ-UHFFFAOYSA-N    		 CCC(=O)N1CCN(c2c1ccc(c2)C(=O)OC)CC; CCN1
    CCN(C(=O)CC)c2ccc(cc12)C(=O)OC    		 methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate
    32467 OY3 2 C17 H18 Br N2 O7 P InChI=1S/C17H18BrN2O7P/c1
    -10-16(21)14(12(7-19-10)9
    -27-28(24,25)26)8-20-15(1
    7(22)23)6-11-3-2-4-13(18)
    5-11/h2-5,7-8,19,21H,6,9H
    2,1H3,(H,22,23)(H2,24,25,
    26)/b14-8-,20-15+;
    QODYJTOPURJJAH-MTTBYZIPSA-N    		 CC1=C(/C(=C\[NH+]=C(/Cc2cccc(c2)Br)\C(=O
    )O)/C(=CN1)COP(=O)(O)O)[O-]; CC1=C([O-])
    C(=C[NH+]=C(Cc2cccc(Br)c2)C(O)=O)C(=CN1)
    CO[P](O)(O)=O; CC1=C([O-])\C(=C/[NH+]=C(
    Cc2cccc(Br)c2)C(O)=O)C(=CN1)CO[P](O)(O)=
    O; CC1=C(C(=C[NH+]=C(Cc2cccc(c2)Br)C(=O)
    O)C(=CN1)COP(=O)(O)O)[O-]; O=C(O)C(\Cc1c
    ccc(Br)c1)=[NH+]\C=C1/C([O-])=C(C)NC=C1C
    OP(=O)(O)O    		 (4Z)-4-({[(1E)-2-(3-bromophenyl)-1-carboxyethylidene]azaniumyl}methylidene)-2-methyl-5-[(phosphonooxy)methyl]-1,4-dihydropyridin-3-olate
    32468 OY4
    CHEMBL4584522    		 2 C15 H16 F N5 O3 S InChI=1S/C15H16FN5O3S/c1-
    8(22)17-4-5-25-15-13(20-2
    4-21-15)14(19-23)18-12-6-
    9-2-3-10(16)7-11(9)12/h2-
    3,7,12,23H,4-6H2,1H3,(H,1
    7,22)(H,18,19)/t12-/m0/s1;
    IWTLWDCOKRYTFP-LBPRGKRZSA-N    		 CC(=O)NCCSc1nonc1C(N[CH]2Cc3ccc(F)cc23)=
    NO; CC(=O)NCCSc1c(non1)/C(=N/O)/N[C@H]2C
    c3c2cc(cc3)F; CC(=O)NCCSc1c(non1)C(=NO)N
    C2Cc3c2cc(cc3)F; CC(=O)NCCSc1nonc1/C(N[C
    @H]2Cc3ccc(F)cc23)=N/O; c2(ccc1CC(c1c2)N
    C(=N/O)\c3nonc3SCCNC(C)=O)F    		 N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide
    32469 OY5 1 C8 H12 B18 Co N2 O4 S2 InChI=1S/2C4H6B9NO2S.Co/c
    2*14-17(15,16)2-1-4-3-5-7
    -6(4)10(4)8(3,4)9(3,5)11(
    5,7)12(6,7,10)13(8,9,10)1
    1;/h2*1-2H2,(H2,14,15,16)
    ;/q;;+6;
    ZFLDGVQOTLFANW-UHFFFAOYSA-N    		 B1234B567B189B212B33%10B454B656B787B911[
    C+2]232([C+]4%105[Co]76121234B567B118B55
    9B66%10B272B667B%1055B911B565[C+]318[C+2
    ]4752CCS(=O)(=O)N)CCS(=O)(=O)N; N[S](=O)
    (=O)CC[C++]123[C+]45[B]678[B]149[B]6%10%
    11[B]7%12%13[B]58%14[B]%12%15%16[B]%10%1
    3%17[B]29%11[B]3%15%17[Co]%14%16%18%19[B
    ]%20%21%22[C+]%23%24[B]%20%25%26[B]%23%2
    7%28[B]%25%29%30[B]%21%26%31[B]%29%32%33
    [B]%27%30%34[B]%18%32([B]%19%22%31%33)[C
    ++]%24%28%34CC[S](N)(=O)=O    		 CA IX mimic
    32470 OY6 2 C30 H27 N5 O4 S InChI=1S/C30H27N5O4S/c1-3
    9-26-11-5-4-10-25(26)33-2
    8(36)20-12-14-21(15-13-20
    )31-30(38)35(19-22-7-6-18
    -40-22)17-16-27-32-24-9-3
    -2-8-23(24)29(37)34-27/h2
    -15,18H,16-17,19H2,1H3,(H
    ,31,38)(H,33,36)(H,32,34,
    37);
    CHCNDJNLIDGUFS-UHFFFAOYSA-N    		 COc1ccccc1NC(=O)c2ccc(cc2)NC(=O)N(CCC3=N
    c4ccccc4C(=O)N3)Cc5cccs5; COc1ccccc1NC(=
    O)c2ccc(NC(=O)N(CCC3=Nc4ccccc4C(=O)N3)Cc
    5sccc5)cc2    		 ~{N}-(2-methoxyphenyl)-4-[[2-(4-oxidanylidene-3~{H}-quinazolin-2-yl)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]benzamide
    32471 OY7 1 C8 H9 B O3 InChI=1S/C8H9BO3/c1-6(10)
    7-2-4-8(5-3-7)9(11)12/h2-
    5,11-12H,1H3;
    OBQRODBYVNIZJU-UHFFFAOYSA-N    		 CC(=O)c1ccc(cc1)B(O)O; B(c1ccc(cc1)C(=O)
    C)(O)O    		 (4-ethanoylphenyl)boronic acid;
    4-Acetylphenylboronic acid
    32472 OY8 1 C8 H12 B18 Co N2 O4 S2 InChI=1S/2C4H6B9NO2S.Co/c
    2*14-17(15,16)2-1-4-3-5-7
    -6(4)10(4)8(3,4)9(3,5)11(
    5,7)12(6,7,10)13(8,9,10)1
    1;/h2*1-2H2,(H2,14,15,16)
    ;/q;;+6;
    ZFLDGVQOTLFANW-UHFFFAOYSA-N    		 B1234B567B189B212B33%10B454B656B787B911[
    C+2]232([C+]4%105[Co]76121234B567B118B55
    9B66%10B272B667B%1055B911B565[C+]318[C+2
    ]4752CCS(=O)(=O)N)CCS(=O)(=O)N; N[S](=O)
    (=O)CC[C++]123[C+]45[B]678[B]149[B]6%10%
    11[B]7%12%13[B]58%14[B]%12%15%16[B]%10%1
    3%17[B]29%11[B]3%15%17[Co]%14%16%18%19[B
    ]%20%21%22[C+]%23%24[B]%20%25%26[B]%23%2
    7%28[B]%25%29%30[B]%21%26%31[B]%29%32%33
    [B]%27%30%34[B]%18%32([B]%19%22%31%33)[C
    ++]%24%28%34CC[S](N)(=O)=O    		 Metala-Carborane di-ethyl-sulfonamide
    32473 OY9 14 C22 H19 Cl N4 O InChI=1S/C22H19ClN4O/c23-
    19-6-4-16(5-7-19)13-27-15
    -25-21-8-9-26(14-20(21)22
    (27)28)12-18-3-1-2-17(10-
    18)11-24/h1-7,10,15H,8-9,
    12-14H2;
    JNBDIOOOVLLTKQ-UHFFFAOYSA-N    		 Clc1ccc(CN2C=NC3=C(CN(CC3)Cc4cccc(c4)C#N
    )C2=O)cc1; Clc1ccc(cc1)CN1C=NC=2CCN(Cc3c
    ccc(C#N)c3)CC=2C1=O; c1cc(cc(c1)C#N)CN2C
    CC3=C(C2)C(=O)N(C=N3)Cc4ccc(cc4)Cl    		 3-({3-[(4-chlorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile
    32474 OYA
    CHEMBL18407
    ZINC000001529222    		 8 C8 H16 O InChI=1S/C8H16O/c1-2-3-4-
    5-6-7-8-9/h8H,2-7H2,1H3;
    NUJGJRNETVAIRJ-UHFFFAOYSA-N    		 O=CCCCCCCC; CCCCCCCC=O OCTANAL;
    OCTYL ALDEHYDE
    32475 OYB
    CHEMBL4759319    		 1 C17 H21 N7 O InChI=1S/C17H21N7O/c1-25-
    14-8-6-13(7-9-14)24-16-15
    (22-23-24)10-19-17(21-16)
    20-12-4-2-11(18)3-5-12/h6
    -12H,2-5,18H2,1H3,(H,19,2
    0,21)/t11-,12-;
    OYCSZJFCBXZCDD-HAQNSBGRSA-N    		 COc1ccc(cc1)n2nnc3cnc(N[CH]4CC[CH](N)CC4
    )nc23; COc1ccc(cc1)n2c3c(cnc(n3)NC4CCC(C
    C4)N)nn2; COc1ccc(cc1)n2nnc3cnc(N[C@H]4C
    C[C@H](N)CC4)nc23    		 ~{N}4-[3-(4-methoxyphenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]cyclohexane-1,4-diamine
    32476 OYD 2 C12 H20 N4 O3 InChI=1S/C12H20N4O3/c1-2-
    6-13-9-10(14-7-4-3-5-8-17
    )15-12(19)16-11(9)18/h6,1
    7H,2-5,7-8H2,1H3,(H3,14,1
    5,16,18,19)/b13-6+;
    ZKFUQHLXTDAXLG-AWNIVKPZSA-N    		 CCC=NC1=C(NCCCCCO)NC(=O)NC1=O; CCC=NC1=C
    (NC(=O)NC1=O)NCCCCCO; CC/C=N/C1=C(NC(=O)
    NC1=O)NCCCCCO; C=1(NCCCCCO)NC(NC(C=1N=[C
    @H]CC)=O)=O    		 6-[(5-hydroxypentyl)amino]-5-[(E)-propylideneamino]pyrimidine-2,4(1H,3H)-dione
    32477 OYE 2 C27 H31 N10 O18 P3 InChI=1S/C27H33N10O18P3/c
    28-26-31-20-14(22(42)33-2
    6)30-9-36(20)24-18(40)16(
    38)12(52-24)7-50-56(44,45
    )54-58(48,49)55-57(46,47)
    51-8-13-17(39)19(41)25(53
    -13)37-10-35(6-11-4-2-1-3
    -5-11)15-21(37)32-27(29)3
    4-23(15)43/h1-5,9-10,12-1
    3,16-19,24-25,38-41H,6-8H
    2,(H8-,28,29,31,32,33,34,
    42,43,44,45,46,47,48,49)/
    p-2/t12-,13-,16-,17-,18-,
    19-,24-,25-/m1/s1;
    DBIWUCQKTGTGGL-JIUDXVAXSA-L    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P]
    ([O-])(=O)O[P]([O-])(=O)O[P]([O-])(=O)OC
    [C@H]4O[C@H]([C@H](O)[C@@H]4O)n5c[n+](Cc
    6ccccc6)c7C(=O)N=C(N)Nc57)[C@@H](O)[C@H]
    3O; c1ccc(cc1)C[n+]2cn(c3c2C(=O)N=C(N3)N
    )C4C(C(C(O4)COP(=O)([O-])OP(=O)([O-])OP(
    =O)([O-])OCC5C(C(C(O5)n6cnc7c6N=C(NC7=O)
    N)O)O)O)O; c1ccc(cc1)C[n+]2cn(c3c2C(=O)N
    =C(N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP
    (=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@
    H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6N=C(NC7
    =O)N)O)O)O)O; NC1=Nc2n(cnc2C(=O)N1)[CH]3
    O[CH](CO[P]([O-])(=O)O[P]([O-])(=O)O[P](
    [O-])(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5c[
    n+](Cc6ccccc6)c7C(=O)N=C(N)Nc57)[CH](O)[
    CH]3O    		 bn7GpppG mRNA 5' cap analog;
    [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
    32478 OYF 3 C18 H14 Cl N3 O2 InChI=1S/C18H14ClN3O2/c19
    -12-1-2-17-15(7-12)14(4-6
    -24-17)18(23)22-16-10-21-
    9-11-8-20-5-3-13(11)16/h1
    -3,5,7-10,14H,4,6H2,(H,22
    ,23)/t14-/m1/s1;
    KCXBRLJFVUQUIR-CQSZACIVSA-N    		 Clc1ccc2OCC[C@@H](C(=O)Nc3cncc4cnccc34)c
    2c1; Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2cncc
    c21; c1cc2c(cc1Cl)[C@@H](CCO2)C(=O)Nc3cn
    cc4c3ccnc4; c1cc2c(cc1Cl)C(CCO2)C(=O)Nc3
    cncc4c3ccnc4; Clc1ccc2OCC[CH](C(=O)Nc3cn
    cc4cnccc34)c2c1    		 (4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    32479 OYG 2 C9 H10 N2 O3 InChI=1S/C9H10N2O3/c1-5(1
    2)3-4-7-6(2)10-9(14)11-8(
    7)13/h3-4H,1-2H3,(H2,10,1
    1,13,14)/b4-3+;
    BUVNCCASAGRUIE-ONEGZZNKSA-N    		 CC(=O)/C=C/C1=C(C)NC(=O)NC1=O; N1C(NC(C(
    [C@H]=[C@H]C(C)=O)=C1C)=O)=O; CC1=C(C(=O
    )NC(=O)N1)/C=C/C(=O)C; CC1=C(C(=O)NC(=O)
    N1)C=CC(=O)C; CC(=O)C=CC1=C(C)NC(=O)NC1=
    O    		 6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione
    32480 OYH 2 C27 H19 N3 O4 InChI=1S/C27H19N3O4/c31-2
    6(32)21-12-11-20(16-22(21
    )27(33)34)28-25-24(18-9-5
    -2-6-10-18)29-23-15-19(13
    -14-30(23)25)17-7-3-1-4-8
    -17/h1-16,28H,(H,31,32)(H
    ,33,34);
    HYJWOPNEPKVJHA-UHFFFAOYSA-N    		 O=C(O)c1cc(ccc1C(=O)O)Nc1c(nc2cc(ccn12)c
    1ccccc1)c1ccccc1; c1ccc(cc1)c2ccn3c(c2)n
    c(c3Nc4ccc(c(c4)C(=O)O)C(=O)O)c5ccccc5;
    OC(=O)c1ccc(Nc2n3ccc(cc3nc2c4ccccc4)c5cc
    ccc5)cc1C(O)=O    		 4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid
    32481 OYI 1 C11 H12 F N O2 S InChI=1S/C11H12FNO2S/c1-1
    3(4-5-16)11(15)8-2-3-9(7-
    14)10(12)6-8/h2-3,6-7,16H
    ,4-5H2,1H3;
    IDNFWLDGQTXDHK-UHFFFAOYSA-N    		 CN(CCS)C(=O)c1ccc(C=O)c(F)c1; CN(CCS)C(=
    O)c1ccc(c(c1)F)C=O    		 3-fluoranyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
    32482 OYJ
    CHEMBL1222130
    ZINC000058590849    		 1 C24 H21 Cl F2 N4 O5 S InChI=1S/C24H21ClF2N4O5S/
    c1-37(35,36)30-12-16(23(3
    3)28-14-5-7-18(25)19(26)1
    0-14)17(13-30)24(34)29-21
    -8-6-15(11-20(21)27)31-9-
    3-2-4-22(31)32/h2-11,16-1
    7H,12-13H2,1H3,(H,28,33)(
    H,29,34)/t16-,17-/m0/s1;
    XRNMSDIWHHURFN-IRXDYDNUSA-N    		 CS(=O)(=O)[N@]1C[C@@H]([C@H](C1)C(=O)Nc2
    ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(c(c4)F
    )Cl; O=C(Nc2ccc(N1C=CC=CC1=O)cc2F)C4C(C(
    =O)Nc3ccc(Cl)c(F)c3)CN(S(=O)(=O)C)C4; CS
    (=O)(=O)N1CC(C(C1)C(=O)Nc2ccc(cc2F)N3C=C
    C=CC3=O)C(=O)Nc4ccc(c(c4)F)Cl; C[S](=O)(
    =O)N1C[CH]([CH](C1)C(=O)Nc2ccc(cc2F)N3C=
    CC=CC3=O)C(=O)Nc4ccc(Cl)c(F)c4; C[S](=O)
    (=O)N1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)
    N3C=CC=CC3=O)C(=O)Nc4ccc(Cl)c(F)c4    		 (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-3-FLUORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE}
    32483 OYK
    CHEMBL5179548
    ZINC000001680635    		 7 C7 H9 N5 InChI=1S/C7H9N5/c1-8-6-5-
    7(10-3-9-6)12(2)4-11-5/h3
    -4H,1-2H3,(H,8,9,10);
    GRDLXXJSRHDATN-UHFFFAOYSA-N    		 CNc1ncnc2n(C)cnc12; CNc1c2c(ncn1)n(cn2)C ~{N},9-dimethylpurin-6-amine
    32484 OYL 0 C8 H13 N3 O2 InChI=1S/C8H13N3O2/c1-2-1
    1-4-6(10-5-11)3-7(9)8(12)
    13/h4-5,7H,2-3,9H2,1H3,(H
    ,12,13)/t7-/m0/s1;
    OAXCYOTUTFGTCJ-ZETCQYMHSA-N    		 CCn1cnc(C[CH](N)C(O)=O)c1; O=C(O)C(N)Cc1
    ncn(c1)CC; CCn1cc(nc1)CC(C(=O)O)N; CCn1c
    c(nc1)C[C@@H](C(=O)O)N; CCn1cnc(C[C@H](N
    )C(O)=O)c1    		 1-ethyl-L-histidine
    32485 OYN
    CHEMBL446449
    ZINC000004429067    		 4 C6 H6 Cl N5 InChI=1S/C6H6ClN5/c1-8-4-
    3-5(10-2-9-3)12-6(7)11-4/
    h2H,1H3,(H2,8,9,10,11,12);
    RIAVUEFUPHOGJY-UHFFFAOYSA-N    		 CNc1c2c([nH]cn2)nc(n1)Cl; CNc1nc(Cl)nc2[
    nH]cnc12    		 2-chloranyl-~{N}-methyl-9~{H}-purin-6-amine
    32486 OYO
    ZINC000000120392    		 4 C8 H14 O5 InChI=1S/C8H14O5/c1-8(2)1
    2-6-5(10)4(3-9)11-7(6)13-
    8/h4-7,9-10H,3H2,1-2H3/t4
    -,5-,6+,7+/m1/s1;
    JAUQZVBVVJJRKM-JWXFUTCRSA-N    		 CC1(OC2C(C(OC2O1)CO)O)C; CC1(C)O[C@@H]2O
    [C@H](CO)[C@@H](O)[C@@H]2O1; CC1(C)O[CH]
    2O[CH](CO)[CH](O)[CH]2O1; CC1(O[C@H]2[C@
    @H]([C@H](O[C@H]2O1)CO)O)C    		 (3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
    32487 OYP
    CHEMBL144207    		 4 C23 H34 O3 InChI=1S/C23H34O3/c1-2-3-
    4-5-6-7-8-9-10-11-12-19-2
    6-20-22-15-13-21(14-16-22
    )17-18-23(24)25/h13-16H,2
    -10,17-20H2,1H3,(H,24,25);
    RYRHYCDBTFUGMI-UHFFFAOYSA-N    		 CCCCCCCCCCC#CCOCc1ccc(cc1)CCC(=O)O; CCCC
    CCCCCCC#CCOCc1ccc(CCC(O)=O)cc1; O=C(O)CC
    c1ccc(cc1)COCC#CCCCCCCCCCC    		 3-{4-[(tridec-2-yn-1-yloxy)methyl]phenyl}propanoic acid
    32488 OYQ 1 C13 H20 N2 O3 S InChI=1S/C13H20N2O3S/c1-3
    -10(2)4-9-13(16)15-11-5-7
    -12(8-6-11)19(14,17)18/h5
    -8,10H,3-4,9H2,1-2H3,(H,1
    5,16)(H2,14,17,18)/t10-/m
    0/s1;
    NTFBKJBQQKWQSL-JTQLQIEISA-N    		 O=S(=O)(N)c1ccc(NC(=O)CCC(C)CC)cc1; CC[C
    H](C)CCC(=O)Nc1ccc(cc1)[S](N)(=O)=O; CC[
    C@H](C)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N; CCC
    (C)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N; CC[C@H]
    (C)CCC(=O)Nc1ccc(cc1)[S](N)(=O)=O    		 (4S)-4-methyl-N-(4-sulfamoylphenyl)hexanamide
    32489 OYR 2 C41 H32 N4 O5 InChI=1S/C41H32N4O5/c46-4
    0(47)34-18-17-33(25-35(34
    )41(48)49)43-39-38(44-37-
    24-32(19-22-45(37)39)29-6
    -2-1-3-7-29)31-15-9-27(10
    -16-31)20-23-50-26-28-11-
    13-30(14-12-28)36-8-4-5-2
    1-42-36/h1-19,21-22,24-25
    ,43H,20,23,26H2,(H,46,47)
    (H,48,49);
    ZNDWCDSQYLVCOS-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccn3c(c2)nc(c3Nc4ccc(c(c4)C(
    =O)O)C(=O)O)c5ccc(cc5)CCOCc6ccc(cc6)c7cc
    ccn7; OC(=O)c1ccc(Nc2n3ccc(cc3nc2c4ccc(C
    COCc5ccc(cc5)c6ccccn6)cc4)c7ccccc7)cc1C(
    O)=O; O=C(O)c1cc(ccc1C(=O)O)Nc1c(nc2cc(c
    cn12)c1ccccc1)c1ccc(CCOCc2ccc(cc2)c2cccc
    n2)cc1    		 4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid
    32490 OYS
    CHEMBL574782
    ZINC000000142256    		 1 C14 H14 N2 O3 S InChI=1S/C14H14N2O3S/c15-
    20(18,19)13-8-6-12(7-9-13
    )16-14(17)10-11-4-2-1-3-5
    -11/h1-9H,10H2,(H,16,17)(
    H2,15,18,19);
    JWDLYKTZCRIGNW-UHFFFAOYSA-N    		 c1ccc(cc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N; N
    [S](=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1; O=
    S(=O)(N)c2ccc(NC(=O)Cc1ccccc1)cc2    		 2-phenyl-N-(4-sulfamoylphenyl)acetamide
    32491 OYT
    CHEMBL5170722    		 4 C9 H11 N5 InChI=1S/C9H11N5/c1-10-8-
    7-9(12-4-11-8)14(5-13-7)6
    -2-3-6/h4-6H,2-3H2,1H3,(H
    ,10,11,12);
    GSKXLJNKAAXSOE-UHFFFAOYSA-N    		 CNc1ncnc2n(cnc12)C3CC3; CNc1c2c(ncn1)n(c
    n2)C3CC3    		 9-cyclopropyl-~{N}-methyl-purin-6-amine
    32492 OYU
    ZINC000002516270    		 4 C7 H15 N O3 InChI=1S/C7H15NO3/c1-7(2,
    3)11-6(10)8-4-5-9/h9H,4-5
    H2,1-3H3,(H,8,10);
    GPTXCAZYUMDUMN-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)NCCO ~{tert}-butyl ~{N}-(2-hydroxyethyl)carbamate
    32493 OYV 2 C14 H20 N2 O7 InChI=1S/C14H20N2O7/c1-7(
    18)2-3-8-9(15-14(23)16-13
    (8)22)4-5-10(19)12(21)11(
    20)6-17/h2-3,10-12,17,19-
    21H,4-6H2,1H3,(H2,15,16,2
    2,23)/b3-2+/t10-,11+,12-/
    m0/s1;
    YIGUGMFHMVTCHU-VUGGRDAHSA-N    		 CC(=O)C=CC1=C(CC[CH](O)[CH](O)[CH](O)CO)
    NC(=O)NC1=O; CC(=O)/C=C/C1=C(CC[C@H](O)[
    C@H](O)[C@H](O)CO)NC(=O)NC1=O; CC(=O)C=C
    C1=C(NC(=O)NC1=O)CCC(C(C(CO)O)O)O; C(=O)
    ([C@H]=[C@H]C=1C(=O)NC(NC=1CCC(C(C(O)CO)
    O)O)=O)C; CC(=O)/C=C/C1=C(NC(=O)NC1=O)CC
    [C@@H]([C@@H]([C@@H](CO)O)O)O    		 1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol
    32494 OYW 4 C27 H33 Cl N10 O18 P3 InChI=1S/C27H32ClN10O18P3
    /c28-11-3-1-10(2-4-11)5-3
    6-9-38(21-15(36)23(44)35-
    27(30)33-21)25-19(42)17(4
    0)13(54-25)7-52-58(47,48)
    56-59(49,50)55-57(45,46)5
    1-6-12-16(39)18(41)24(53-
    12)37-8-31-14-20(37)32-26
    (29)34-22(14)43/h1-4,8-9,
    12-13,16-19,24-25,39-42H,
    5-7H2,(H8-,29,30,32,33,34
    ,35,43,44,45,46,47,48,49,
    50)/p+1/t12?,13-,16?,17-,
    18?,19-,24?,25-/m1/s1;
    YLIRYFJCSIVXAE-AGNUKMHHSA-O    		 NC1=Nc2n(cnc2C(=O)N1)C3OC(CO[P](O)(=O)O[
    P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)
    [CH]4O)n5c[n+](Cc6ccc(Cl)cc6)c7C(=O)NC(=
    Nc57)N)C(O)C3O; c1cc(ccc1C[n+]2cn(c3c2C(
    =O)NC(=N3)N)C4C(C(C(O4)COP(=O)(O)OP(=O)(
    O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6N=C(NC7=
    O)N)O)O)O)O)Cl; c1cc(ccc1C[n+]2cn(c3c2C(
    =O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4
    )COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC5C(C(C(O
    5)n6cnc7c6N=C(NC7=O)N)O)O)O)O)Cl; NC1=Nc
    2n(cnc2C(=O)N1)C3OC(CO[P](O)(=O)O[P](O)(
    =O)O[P](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@
    @H]4O)n5c[n+](Cc6ccc(Cl)cc6)c7C(=O)NC(=N
    c57)N)C(O)C3O    		 4-Cl-Bn7GpppG mRNA 5' cap analog;
    [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(4-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
    32495 OYX 3 C24 H28 N2 O S InChI=1S/C24H28N2OS/c27-2
    4(15-21-17-25-16-20-9-4-5
    -11-23(20)21)26(18-22-10-
    6-14-28-22)13-12-19-7-2-1
    -3-8-19/h4-6,9-11,14,16-1
    7,19H,1-3,7-8,12-13,15,18
    H2;
    COUGPWQMAYMVGH-UHFFFAOYSA-N    		 c1ccc2c(c1)cncc2CC(=O)N(CCC3CCCCC3)Cc4cc
    cs4; O=C(Cc1cncc2ccccc12)N(CCC3CCCCC3)Cc
    4sccc4; O=C(Cc1cncc2ccccc21)N(CCC1CCCCC1
    )Cc1cccs1    		 N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide
    32496 OYZ 2 C26 H24 N4 O3 InChI=1S/C26H24N4O3/c1-3-
    33-23-7-5-4-6-19(23)17-8-
    10-18(11-9-17)24-21(14-27
    )25(29-16(2)26(31)32)20-1
    2-13-28-15-22(20)30-24/h4
    -11,13,16H,3,12,15H2,1-2H
    3,(H,29,30)(H,31,32)/t16-
    /m1/s1;
    NURQHDXPRQBOKW-MRXNPFEDSA-N    		 CCOc1ccccc1c2ccc(cc2)c3c(c(c4c(n3)CN=CC4
    )N[C@H](C)C(=O)O)C#N; CCOc1ccccc1c2ccc(c
    c2)c3nc4CN=CCc4c(N[CH](C)C(O)=O)c3C#N; C
    COc1ccccc1c2ccc(cc2)c3c(c(c4c(n3)CN=CC4)
    NC(C)C(=O)O)C#N; CCOc1ccccc1c2ccc(cc2)c3
    nc4CN=CCc4c(N[C@H](C)C(O)=O)c3C#N    		 (2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid
    32497 OZ0 1 C11 H16 B N O6 S InChI=1S/C11H16BNO6S/c1-2
    -10(12(16)17)13-20(18,19)
    7-8-4-3-5-9(6-8)11(14)15/
    h3-6,10,13,16-17H,2,7H2,1
    H3,(H,14,15)/t10-/m1/s1;
    NXMDVDQWQYARKG-SNVBAGLBSA-N    		 CC[C@@H](N[S](=O)(=O)Cc1cccc(c1)C(O)=O)B
    (O)O; O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(
    O)O; CC[CH](N[S](=O)(=O)Cc1cccc(c1)C(O)=
    O)B(O)O; B(C(CC)NS(=O)(=O)Cc1cccc(c1)C(=
    O)O)(O)O; B([C@@H](CC)NS(=O)(=O)Cc1cccc(
    c1)C(=O)O)(O)O    		 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid
    32498 OZ1
    CHEMBL5287175    		 3 C22 H24 F2 N4 O4 InChI=1S/C22H24F2N4O4/c23
    -15-7-6-14(17(24)10-15)12
    -27-21(30)18-19(25)16-9-1
    3(5-3-1-2-4-8-29)11-26-20
    (16)28(32)22(18)31/h6-7,9
    -11,29,32H,1-5,8,12,25H2,
    (H,27,30);
    YZHRHLDMVJVVOL-UHFFFAOYSA-N    		 NC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3ncc
    (CCCCCCO)cc13; c1cc(c(cc1F)F)CNC(=O)C2=C
    (c3cc(cnc3N(C2=O)O)CCCCCCO)N; c3cc(CNC(=
    O)C2=C(N)c1cc(CCCCCCO)cnc1N(C2=O)O)c(F)c
    c3F    		 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
    32499 OZ2
    ZINC000058650962    		 4 C37 H69 O10 P InChI=1S/C37H69O10P/c1-3-
    5-7-9-11-13-15-16-17-18-1
    9-21-22-24-26-28-36(40)44
    -32-35(33-46-48(42,43)45-
    31-34(39)30-38)47-37(41)2
    9-27-25-23-20-14-12-10-8-
    6-4-2/h14,16-17,20,34-35,
    38-39H,3-13,15,18-19,21-3
    3H2,1-2H3,(H,42,43)/b17-1
    6-,20-14-/t34-,35+/m0/s1;
    YOPHQENQMRACBJ-BMAOJOIDSA-N    		 CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=
    O)OC[CH](O)CO)OC(=O)CCCCC=CCCCCCC; CCCCC
    CCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)
    OC[C@@H](O)CO)OC(=O)CCCC\C=C/CCCCCC; CCC
    CCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO
    )O)OC(=O)CCCCC=CCCCCCC; CCCCCCCC/C=C\CCC
    CCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO
    )O)OC(=O)CCCC/C=C\CCCCCC; O=C(OC(COP(=O)
    (OCC(O)CO)O)COC(=O)CCCCCCC\C=C/CCCCCCCC)
    CCCC\C=C/CCCCCC    		 (2R)-3-{[(R)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6Z)-tridec-6-enoyloxy]propyl (9Z)-octadec-9-enoate
    32500 OZ3 0 C9 H12 N3 InChI=1S/C9H11N3/c10-4-6-
    1-2-8-7(3-6)5-12-9(8)11/h
    1-3H,4-5,10H2,(H2,11,12)/
    p+1;
    WGTMTZNANKWNAF-UHFFFAOYSA-O    		 c1cc2c(cc1CN)C[NH+]=C2N; NCc1ccc2C(=[NH+
    ]Cc2c1)N    		 5-(aminomethyl)-3~{H}-isoindol-2-ium-1-amine
    32501 OZ4 1 C27 H33 N3 O2 InChI=1S/C27H33N3O2/c1-15
    -9-11-30-14-26-12-18-16-6
    -7-19-17(8-10-24(2,3)32-1
    9)21(16)28-22(18)25(4,5)2
    0(26)13-27(15,30)23(31)29
    -26/h6-8,10,15,20,28H,9,1
    1-14H2,1-5H3,(H,29,31)/t1
    5-,20-,26+,27+/m0/s1;
    NZXZONUAPKPCQR-CVXXBLRVSA-N    		 C421C(C)CCN1CC3(NC2=O)Cc5c(C(C3C4)(C)C)n
    c6c5ccc7OC(C=Cc67)(C)C; C[C@H]1CCN2[C@]1
    3C[C@@H]4[C@](C2)(Cc5c6ccc7c(c6[nH]c5C4(
    C)C)C=CC(O7)(C)C)NC3=O; C[C@H]1CCN2C[C@]
    34Cc5c([nH]c6c5ccc7OC(C)(C)C=Cc67)C(C)(C
    )[C@@H]3C[C@]12C(=O)N4; CC1CCN2C13CC4C(c
    5c(c6ccc7c(c6[nH]5)C=CC(O7)(C)C)CC4(C2)N
    C3=O)(C)C; C[CH]1CCN2C[C]34Cc5c([nH]c6c5
    ccc7OC(C)(C)C=Cc67)C(C)(C)[CH]3C[C]12C(=
    O)N4    		 (7aS,12S,12aR,13aS)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8H,10H-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one
    32502 OZ5
    CHEMBL4802045    		 2 C26 H21 F N4 O2 InChI=1S/C26H21FN4O2/c1-3
    -21(26(32)33)30-25-19-11-
    12-29-14-22(19)31-24(20(2
    5)13-28)17-9-7-16(8-10-17
    )18-6-4-5-15(2)23(18)27/h
    4-12,14,21H,3H2,1-2H3,(H,
    30,31)(H,32,33)/t21-/m1/s
    1;
    DVIVLYHDLNAXAT-OAQYLSRUSA-N    		 CC[C@H](C(=O)O)Nc1c2ccncc2nc(c1C#N)c3ccc
    (cc3)c4cccc(c4F)C; CC[C@@H](Nc1c2ccncc2n
    c(c3ccc(cc3)c4cccc(C)c4F)c1C#N)C(O)=O; C
    C[CH](Nc1c2ccncc2nc(c3ccc(cc3)c4cccc(C)c
    4F)c1C#N)C(O)=O; CCC(C(=O)O)Nc1c2ccncc2n
    c(c1C#N)c3ccc(cc3)c4cccc(c4F)C    		 (2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid
    32503 OZ6
    CHEMBL5196043    		 1 C26 H43 N5 O5 InChI=1S/C26H43N5O5/c1-24
    (2,3)19(29-23(36)30-25(4,
    5)6)22(35)31-12-16-17(26(
    16,7)8)18(31)21(34)28-15(
    13-32)11-14-9-10-27-20(14
    )33/h13-19H,9-12H2,1-8H3,
    (H,27,33)(H,28,34)(H2,29,
    30,36)/t14-,15-,16-,17-,1
    8-,19+/m0/s1;
    CWUQSFBFZRKOOX-KOUJMVCDSA-N    		 CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H
    ]([C@H]1C(=O)N[C@@H](C[C@@H]3CCNC3=O)C=O
    )C2(C)C)C(C)(C)C; CC1([C@@H]2[C@H]1[C@H]
    (N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)
    C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C=O)C; CC
    (C)(C)NC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH]
    1C(=O)N[CH](C[CH]3CCNC3=O)C=O)C2(C)C)C(C
    )(C)C; CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC
    (=O)NC(C)(C)C)C(=O)NC(CC3CCNC3=O)C=O)C    		 (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
    32504 OZ7 1 C27 H33 N3 O3 InChI=1S/C27H33N3O3/c1-15
    -8-10-30-14-26-12-17-16-6
    -7-18-21(32-11-9-24(2,3)3
    3-18)20(16)28-22(17)25(4,
    5)19(26)13-27(15,30)23(31
    )29-26/h6-7,9,11,15,19,28
    H,8,10,12-14H2,1-5H3,(H,2
    9,31)/t15-,19-,26+,27+/m0
    /s1;
    CHODRHYJOPXZLV-ZYHIPPEZSA-N    		 C[CH]1CCN2C[C]34Cc5c([nH]c6c7OC=CC(C)(C)
    Oc7ccc56)C(C)(C)[CH]3C[C]12C(=O)N4; CC1C
    CN2C13CC4C(c5c(c6ccc7c(c6[nH]5)OC=CC(O7)
    (C)C)CC4(C2)NC3=O)(C)C; C[C@H]1CCN2C[C@]
    34Cc5c([nH]c6c7OC=CC(C)(C)Oc7ccc56)C(C)(
    C)[C@@H]3C[C@]12C(=O)N4; C127C(CCN1CC6(N
    C2=O)Cc5c3c(c4OC=CC(C)(C)Oc4cc3)nc5C(C)(
    C)C6C7)C; C[C@H]1CCN2[C@]13C[C@@H]4[C@](
    C2)(Cc5c6ccc7c(c6[nH]c5C4(C)C)OC=CC(O7)(
    C)C)NC3=O    		 (8aS,13S,13aR,14aS)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4H,8H,9H,11H-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one
    32505 OZ8
    CHEMBL4873212    		 1 C20 H25 N3 O2 InChI=1S/C20H25N3O2/c24-2
    0-15-18(22-9-11-25-12-10-
    22)14-19(21-20)23-8-4-7-1
    7(23)13-16-5-2-1-3-6-16/h
    1-3,5-6,14-15,17H,4,7-13H
    2,(H,21,24)/t17-/m1/s1;
    NUUYFIBMHLLMSL-QGZVFWFLSA-N    		 c1ccc(cc1)CC2CCCN2C3=CC(=CC(=O)N3)N4CCOC
    C4; O=C1NC(=CC(=C1)N2CCOCC2)N3CCC[CH]3Cc
    4ccccc4; c1ccc(cc1)C[C@H]2CCCN2C3=CC(=CC
    (=O)N3)N4CCOCC4; O=C1NC(=CC(=C1)N2CCOCC2
    )N3CCC[C@@H]3Cc4ccccc4    		 4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one
    32506 OZ9 1 C11 H16 B N O6 S InChI=1S/C11H16BNO6S/c1-2
    -10(12(16)17)13-20(18,19)
    7-8-4-3-5-9(6-8)11(14)15/
    h3-6,10,13,16-17H,2,7H2,1
    H3,(H,14,15)/t10-/m0/s1;
    NXMDVDQWQYARKG-JTQLQIEISA-N    		 O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)O; B
    ([C@H](CC)NS(=O)(=O)Cc1cccc(c1)C(=O)O)(O
    )O; CC[CH](N[S](=O)(=O)Cc1cccc(c1)C(O)=O
    )B(O)O; CC[C@H](N[S](=O)(=O)Cc1cccc(c1)C
    (O)=O)B(O)O; B(C(CC)NS(=O)(=O)Cc1cccc(c1
    )C(=O)O)(O)O    		 3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid
    32507 OZA 1 C21 H24 Br N3 O InChI=1S/C21H24BrN3O/c1-1
    9(2)16-10-21-6-3-7-25(21)
    11-20(16,24-18(21)26)9-14
    -13-5-4-12(22)8-15(13)23-
    17(14)19/h4-5,8,16,23H,3,
    6-7,9-11H2,1-2H3,(H,24,26
    )/t16-,20+,21-/m0/s1;
    LMABZAWQQDGLLN-DQLDELGASA-N    		 CC1(C)[C@@H]2C[C@]34CCCN3C[C@@]2(Cc5c6cc
    c(Br)cc6[nH]c15)NC4=O; C314NC(C2(CCCN2C1
    )CC3C(c5c(C4)c6c(n5)cc(cc6)Br)(C)C)=O; C
    C1(c2c(c3ccc(cc3[nH]2)Br)CC45C1CC6(CCCN6
    C4)C(=O)N5)C; CC1(C)[CH]2C[C]34CCCN3C[C]
    2(Cc5c6ccc(Br)cc6[nH]c15)NC4=O; CC1(c2c(
    c3ccc(cc3[nH]2)Br)C[C@]45[C@H]1C[C@@]6(C
    CCN6C4)C(=O)N5)C    		 (5aS,12aS,13aS)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
    32508 OZB 1 C24 H34 F N5 O4 S2 InChI=1S/C24H34FN5O4S2/c1
    -22(2,3)17(29-21(34)23(25
    )5-6-23)20(33)30-13-24(35
    -8-9-36-24)11-16(30)19(32
    )28-15(12-26)10-14-4-7-27
    -18(14)31/h14-17H,4-11,13
    H2,1-3H3,(H,27,31)(H,28,3
    2)(H,29,34)/t14-,15-,16-,
    17+/m0/s1;
    RIKAUFAETQRQJH-LUKYLMHMSA-N    		 CC(C)(C)[C@@H](C(=O)N1CC2(C[C@H]1C(=O)N[
    C@@H](C[C@@H]3CCNC3=O)C#N)SCCS2)NC(=O)C4
    (CC4)F; CC(C)(C)C(C(=O)N1CC2(CC1C(=O)NC(
    CC3CCNC3=O)C#N)SCCS2)NC(=O)C4(CC4)F; CC(
    C)(C)[CH](NC(=O)C1(F)CC1)C(=O)N2CC3(C[CH
    ]2C(=O)N[CH](C[CH]4CCNC4=O)C#N)SCCS3; CC
    (C)(C)[C@H](NC(=O)C1(F)CC1)C(=O)N2CC3(C[
    C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)C#N)SC
    CS3    		 (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2S)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
    32509 OZC 3 C20 H17 Cl N2 O InChI=1S/C20H17ClN2O/c21-
    16-9-7-14(8-10-16)18-6-3-
    11-23(20(18)24)19-13-22-1
    2-15-4-1-2-5-17(15)19/h1-
    2,4-5,7-10,12-13,18H,3,6,
    11H2/t18-/m0/s1;
    SHKWJYBWRXZSMY-SFHVURJKSA-N    		 Clc1ccc(cc1)C1CCCN(c2cncc3ccccc23)C1=O;
    c1ccc2c(c1)cncc2N3CCC[C@H](C3=O)c4ccc(cc
    4)Cl; c1ccc2c(c1)cncc2N3CCCC(C3=O)c4ccc(
    cc4)Cl; Clc1ccc(cc1)[CH]2CCCN(C2=O)c3cnc
    c4ccccc34; Clc1ccc(cc1)[C@@H]2CCCN(C2=O)
    c3cncc4ccccc34    		 (3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one
    32510 OZD 2 C9 H12 N4 O4 InChI=1S/C9H12N4O4/c1-5(1
    5)4-11-6-7(10-2-3-14)12-9
    (17)13-8(6)16/h4,14H,2-3H
    2,1H3,(H3,10,12,13,16,17)
    /b11-4+;
    HVWXIWYEXZLAAS-NYYWCZLTSA-N    		 CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCO; CC(=O)
    C=NC1=C(NCCO)NC(=O)NC1=O; C(CO)NC=1NC(=O
    )NC(C=1\N=C\C(C)=O)=O; CC(=O)C=NC1=C(NC(
    =O)NC1=O)NCCO    		 6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione
    32511 OZE 1 C24 H32 N3 O7 P InChI=1S/C24H32N3O7P/c1-1
    7(2)13-20(23(29)30)26-21(
    28)15-25-35(32,33)22(14-1
    8-9-5-3-6-10-18)27-24(31)
    34-16-19-11-7-4-8-12-19/h
    3-12,17,20,22H,13-16H2,1-
    2H3,(H,26,28)(H,27,31)(H,
    29,30)(H2,25,32,33)/t20-,
    22+/m0/s1;
    YJSHTZYDPJRJOL-RBBKRZOGSA-N    		 CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)([C@H](
    Cc1ccccc1)NC(=O)OCc2ccccc2)O; CC(C)CC(C(
    =O)O)NC(=O)CNP(=O)(C(Cc1ccccc1)NC(=O)OCc
    2ccccc2)O; CC(C)C[CH](NC(=O)CN[P](O)(=O)
    [CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(O)=O;
    CC(C)C[C@H](NC(=O)CN[P](O)(=O)[C@H](Cc1c
    cccc1)NC(=O)OCc2ccccc2)C(O)=O    		 (((R)-1-(((benzyloxy)carbonyl)amino)-2-phenylethyl)oxidophosphoryl)glycyl-L-leucinate;
    (2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{R})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]p entanoic acid
    32512 OZF 2 C11 H17 B N O9 P S InChI=1S/C11H17BNO9PS/c1-
    2-10(12(16)22-23(17,18)19
    )13-24(20,21)7-8-4-3-5-9(
    6-8)11(14)15/h3-6,10,13,1
    6H,2,7H2,1H3,(H,14,15)(H2
    ,17,18,19)/t10-/m1/s1;
    OKRPHJKYNCLTSY-SNVBAGLBSA-N    		 B(C(CC)NS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)OP
    (=O)(O)O; B([C@@H](CC)NS(=O)(=O)Cc1cccc(
    c1)C(=O)O)(O)OP(=O)(O)O; O=S(=O)(Cc1cccc
    (c1)C(=O)O)NC(CC)B(O)OP(=O)(O)O; CC[CH](
    N[S](=O)(=O)Cc1cccc(c1)C(O)=O)B(O)O[P](O
    )(O)=O; CC[C@@H](N[S](=O)(=O)Cc1cccc(c1)
    C(O)=O)B(O)O[P](O)(O)=O    		 3-[(4S)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid
    32513 OZG 1 C17 H14 O5 InChI=1S/C17H14O5/c1-20-1
    2-3-2-4-13(8-12)22-14-5-6
    -15-11(7-17(18)19)10-21-1
    6(15)9-14/h2-6,8-10H,7H2,
    1H3,(H,18,19);
    UOSYUXUYPKFRGA-UHFFFAOYSA-N    		 c2c(cc1c(c(CC(O)=O)co1)c2)Oc3cc(OC)ccc3;
    COc1cccc(Oc2ccc3c(CC(O)=O)coc3c2)c1; CO
    c1cccc(c1)Oc2ccc3c(c2)occ3CC(=O)O    		 [6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid
    32514 OZH 1 C24 H32 N3 O7 P InChI=1S/C24H32N3O7P/c1-1
    7(2)13-20(23(29)30)26-21(
    28)15-25-35(32,33)22(14-1
    8-9-5-3-6-10-18)27-24(31)
    34-16-19-11-7-4-8-12-19/h
    3-12,17,20,22H,13-16H2,1-
    2H3,(H,26,28)(H,27,31)(H,
    29,30)(H2,25,32,33)/t20-,
    22-/m0/s1;
    YJSHTZYDPJRJOL-UNMCSNQZSA-N    		 CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)([C@@H]
    (Cc1ccccc1)NC(=O)OCc2ccccc2)O; CC(C)CC(C
    (=O)O)NC(=O)CNP(=O)(C(Cc1ccccc1)NC(=O)OC
    c2ccccc2)O; CC(C)C[C@H](NC(=O)CN[P](O)(=
    O)[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)C(O)
    =O; CC(C)C[CH](NC(=O)CN[P](O)(=O)[CH](Cc
    1ccccc1)NC(=O)OCc2ccccc2)C(O)=O    		 (2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid
    32515 OZI
    CHEMBL5206532    		 2 C18 H18 Cl3 N3 O2 S InChI=1S/C18H18Cl3N3O2S/c
    19-9-17(25)23-5-6-24(12-3
    -4-14(20)15(21)8-12)16(11
    -23)18(26)22-10-13-2-1-7-
    27-13/h1-4,7-8,16H,5-6,9-
    11H2,(H,22,26)/t16-/m0/s1;
    DBKURSLDNAKNLU-INIZCTEOSA-N    		 c1cc(sc1)CNC(=O)[C@@H]2CN(CCN2c3ccc(c(c3
    )Cl)Cl)C(=O)CCl; c1cc(sc1)CNC(=O)C2CN(CC
    N2c3ccc(c(c3)Cl)Cl)C(=O)CCl; ClCC(=O)N1C
    CN([CH](C1)C(=O)NCc2sccc2)c3ccc(Cl)c(Cl)
    c3; ClCC(=O)N1CCN([C@@H](C1)C(=O)NCc2scc
    c2)c3ccc(Cl)c(Cl)c3    		 (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide
    32516 OZJ
    CHEMBL3318211
    ZINC000263620479    		 4 C14 H10 N6 O InChI=1S/C14H10N6O/c15-5-
    9-10-12(16)19-14(17)20-13
    (10)18-11(9)8-3-1-2-7(4-8
    )6-21/h1-4,6H,(H5,16,17,1
    8,19,20);
    GUABVUFADFGUJA-UHFFFAOYSA-N    		 c1cc(cc(c1)c2c(c3c(nc(nc3[nH]2)N)N)C#N)C
    =O; Nc1nc(N)c2c([nH]c(c3cccc(C=O)c3)c2C#
    N)n1; O=Cc3cccc(c2c(C#N)c1c(nc(nc1n2)N)N
    )c3    		 2,4-diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
    32517 OZK
    CHEMBL23887
    ZINC000028261560    		 1 C28 H29 N7 O3 InChI=1S/C28H29N7O3/c1-28
    (2,29)15-25(36)30-22-17-3
    8-24-10-6-5-9-23(24)35(27
    (22)37)16-18-11-13-19(14-
    12-18)20-7-3-4-8-21(20)26
    -31-33-34-32-26/h3-14,22H
    ,15-17,29H2,1-2H3,(H,30,3
    6)(H,31,32,33,34)/t22-/m1
    /s1;
    PJFIRCYASUNIFO-JOCHJYFZSA-N    		 CC(C)(N)CC(=O)N[CH]1COc2ccccc2N(Cc3ccc(c
    c3)c4ccccc4c5[nH]nnn5)C1=O; CC(C)(N)CC(=
    O)N[C@@H]1COc2ccccc2N(Cc3ccc(cc3)c4ccccc
    4c5[nH]nnn5)C1=O; CC(C)(CC(=O)N[C@@H]1CO
    c2ccccc2N(C1=O)Cc3ccc(cc3)c4ccccc4c5[nH]
    nnn5)N; CC(C)(CC(=O)NC1COc2ccccc2N(C1=O)
    Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)N    		 3-azanyl-3-methyl-~{N}-[(3~{R})-4-oxidanylidene-5-[[4-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide
    32518 OZL 2 C25 H40 N6 O4 S2 InChI=1S/C25H40N6O4S2/c1-
    23(2,3)18(29-22(35)30-24(
    4,5)6)21(34)31-14-25(36-9
    -10-37-25)12-17(31)20(33)
    28-16(13-26)11-15-7-8-27-
    19(15)32/h15-18H,7-12,14H
    2,1-6H3,(H,27,32)(H,28,33
    )(H2,29,30,35)/t15-,16-,1
    7-,18+/m0/s1;
    BLRKRWSWARPDLL-XLAORIBOSA-N    		 CC(C)(C)C(C(=O)N1CC2(CC1C(=O)NC(CC3CCNC3
    =O)C#N)SCCS2)NC(=O)NC(C)(C)C; CC(C)(C)[C
    @@H](C(=O)N1CC2(C[C@H]1C(=O)N[C@@H](C[C@
    @H]3CCNC3=O)C#N)SCCS2)NC(=O)NC(C)(C)C; C
    C(C)(C)NC(=O)N[C@H](C(=O)N1CC2(C[C@H]1C(
    =O)N[C@@H](C[C@@H]3CCNC3=O)C#N)SCCS2)C(C
    )(C)C; CC(C)(C)NC(=O)N[CH](C(=O)N1CC2(C[
    CH]1C(=O)N[CH](C[CH]3CCNC3=O)C#N)SCCS2)C
    (C)(C)C    		 (8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
    32519 OZM 1 C17 H14 O3 InChI=1S/C17H14O3/c18-17(
    19)10-14-11-20-16-9-13(6-
    7-15(14)16)8-12-4-2-1-3-5
    -12/h1-7,9,11H,8,10H2,(H,
    18,19);
    NANLKTVMZIVCBJ-UHFFFAOYSA-N    		 c1ccc(cc1)Cc2ccc3c(c2)occ3CC(=O)O; OC(=O
    )Cc1coc2cc(Cc3ccccc3)ccc12; C(c1ccc2c(CC
    (O)=O)coc2c1)c3ccccc3    		 (6-benzyl-1-benzofuran-3-yl)acetic acid
    32520 OZN 1 C25 H31 Cl N9 O InChI=1S/C25H31ClN9O/c1-1
    6-23(17(2)35(31-16)18-8-1
    1-33(12-9-18)15-22(36)32(
    3)4)29-25-27-14-20(26)24(
    30-25)19-13-28-34-10-6-5-
    7-21(19)34/h5-7,10,13-14,
    18H,8-9,11-12,15H2,1-4H3,
    (H2,27,29,30)/b24-19-;
    AMADJQZSXUFWNT-CLCOLTQESA-N    		 CN(C)C(=O)CN1CCC(CC1)n2nc(C)c(NC3=NC=C(C
    l)\C(N3)=C4/C=Nn5ccccc45)c2C; CN(C)C(=O)
    CN1CCC(CC1)n2nc(C)c(NC3=NC=C(Cl)C(N3)=C4
    C=Nn5ccccc45)c2C; Cc1c(c(n(n1)C2CCN(CC2)
    CC(=O)N(C)C)C)NC3=NC=C(/C(=C/4\C=N[N]5=C
    4C=CC=C5)/N3)Cl; Cc1c(c(n(n1)C2CCN(CC2)C
    C(=O)N(C)C)C)NC3=NC=C(C(=C4C=N[N]5=C4C=C
    C=C5)N3)Cl    		 2-[4-[4-[[(6Z)-5-chloranyl-6-pyrazolo[1,5-a]pyridin-3-ylidene-1H-pyrimidin-2-yl]amino]-3,5-dimethyl-pyrazol-1-yl]piperidin-1-yl]-N,N-dimethyl-ethanamide
    32521 OZO 2 C11 H17 B N O9 P S InChI=1S/C11H17BNO9PS/c1-
    2-10(12(16)22-23(17,18)19
    )13-24(20,21)7-8-4-3-5-9(
    6-8)11(14)15/h3-6,10,13,1
    6H,2,7H2,1H3,(H,14,15)(H2
    ,17,18,19)/t10-/m0/s1;
    OKRPHJKYNCLTSY-JTQLQIEISA-N    		 B([C@H](CC)NS(=O)(=O)Cc1cccc(c1)C(=O)O)(
    O)OP(=O)(O)O; B(C(CC)NS(=O)(=O)Cc1cccc(c
    1)C(=O)O)(O)OP(=O)(O)O; CC[C@H](N[S](=O)
    (=O)Cc1cccc(c1)C(O)=O)B(O)O[P](O)(O)=O;
    O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)OP(=
    O)(O)O; CC[CH](N[S](=O)(=O)Cc1cccc(c1)C(
    O)=O)B(O)O[P](O)(O)=O    		 3-[(4R)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid
    32522 OZP 4 C24 H32 N8 O6 InChI=1S/C24H32N8O6/c25-1
    5(24(36)37)6-8-31(7-2-4-1
    3-3-1-5-14(9-13)21(27)35)
    10-16-18(33)19(34)23(38-1
    6)32-12-30-17-20(26)28-11
    -29-22(17)32/h1,3,5,9,11-
    12,15-16,18-19,23,33-34H,
    2,4,6-8,10,25H2,(H2,27,35
    )(H,36,37)(H2,26,28,29)/t
    15-,16+,18+,19+,23-/m0/s1;
    VSETVFOQAVXGIV-LWXSJTDASA-N    		 N[C@@H](CCN(CCCc1cccc(c1)C(N)=O)C[C@H]2O
    [C@@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34
    )C(O)=O; c1cc(cc(c1)C(=O)N)CCCN(CC[C@@H]
    (C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@H](O2)n
    3cnc4c3ncnc4N)O)O; N[CH](CCN(CCCc1cccc(c
    1)C(N)=O)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc
    4c(N)ncnc34)C(O)=O; c1cc(cc(c1)C(=O)N)CC
    CN(CCC(C(=O)O)N)CC2C(C(C(O2)n3cnc4c3ncnc
    4N)O)O; c12c(ncnc1n(cn2)C4C(C(C(CN(CCC(N
    )C(O)=O)CCCc3cccc(c3)C(N)=O)O4)O)O)N    		 9-(5-{[(3S)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-D-ribofuranosyl)-9H-purin-6-amine
    32523 OZQ 1 C22 H23 N O5 S InChI=1S/C22H23NO5S/c1-4-
    15-7-6-8-16(5-2)21(15)23-
    29(26,27)20-10-9-17(11-14
    (20)3)19-12-18(13-28-19)2
    2(24)25/h6-13,23H,4-5H2,1
    -3H3,(H,24,25);
    SECRWZHINJOGSU-UHFFFAOYSA-N    		 CCc1cccc(c1NS(=O)(=O)c2ccc(cc2C)c3cc(co3
    )C(=O)O)CC; CCc1cccc(CC)c1N[S](=O)(=O)c2
    ccc(cc2C)c3occ(c3)C(O)=O    		 5-[4-[(2,6-diethylphenyl)sulfamoyl]-3-methyl-phenyl]furan-3-carboxylic acid
    32524 OZR
    ZINC000064746637    		 1 C14 H16 N2 O8 InChI=1S/C14H16N2O8/c17-9
    -5-7(16(22)23)4-8(12(9)19
    )14(21)15-3-1-2-11-13(20)
    10(18)6-24-11/h1-2,4-5,10
    -11,13,17-20H,3,6H2,(H,15
    ,21)/b2-1+/t10-,11+,13-/m
    0/s1;
    VDHNUEGZSFACAM-CNBGNIIQSA-N    		 O[CH]1CO[CH](C=CCNC(=O)c2cc(cc(O)c2O)[N+
    ]([O-])=O)[CH]1O; c1c(cc(c(c1C(=O)NCC=CC
    2C(C(CO2)O)O)O)O)[N+](=O)[O-]; c1c(cc(c(
    c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H](CO2)O)O
    )O)O)[N+](=O)[O-]; [O-][N+](=O)c1cc(c(O)
    c(O)c1)C(=O)NC/C=C/C2OCC(O)C2O; O[C@H]1C
    O[C@H](\C=C\CNC(=O)c2cc(cc(O)c2O)[N+]([O
    -])=O)[C@H]1O    		 N-[(E)-3-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
    32525 OZS
    ZINC000064746639    		 1 C18 H17 F3 N4 O8 InChI=1S/C18H17F3N4O8/c19
    -18(20,21)12-6-24(7-23-12
    )17-15(29)14(28)11(33-17)
    2-1-3-22-16(30)9-4-8(25(3
    1)32)5-10(26)13(9)27/h1-2
    ,4-7,11,14-15,17,26-29H,3
    H2,(H,22,30)/b2-1+/t11-,1
    4-,15-,17-/m1/s1;
    VZQNYKXXPHSQLJ-LWULHLCXSA-N    		 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1\C=C\CNC(
    =O)c2cc(cc(O)c2O)[N+]([O-])=O)n3cnc(c3)C
    (F)(F)F; c1c(cc(c(c1C(=O)NCC=CC2C(C(C(O2
    )n3cc(nc3)C(F)(F)F)O)O)O)O)[N+](=O)[O-];
    [O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)NC/C=C
    /C3OC(n2cnc(c2)C(F)(F)F)C(O)C3O; c1c(cc(
    c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H
    ](O2)n3cc(nc3)C(F)(F)F)O)O)O)O)[N+](=O)[
    O-]; O[CH]1[CH](O)[CH](O[CH]1C=CCNC(=O)c
    2cc(cc(O)c2O)[N+]([O-])=O)n3cnc(c3)C(F)(
    F)F    		 N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(trifluoromethyl)imidazol-1-yl]oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
    32526 OZT
    ZINC000005085332    		 0 C5 H7 N O4 InChI=1S/C5H7NO4/c1-2-3(4
    (7)8)6-5(9)10-2/h2-3H,1H3
    ,(H,6,9)(H,7,8)/t2-,3+/m1
    /s1;
    KYNKAUUXUQOZSQ-GBXIJSLDSA-N    		 C[C@H]1OC(=O)N[C@@H]1C(O)=O; CC1C(NC(=O)
    O1)C(=O)O; C[C@@H]1[C@H](NC(=O)O1)C(=O)O
    ; C[CH]1OC(=O)N[CH]1C(O)=O    		 (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
    32527 OZU
    ZINC000005307420    		 1 C8 H10 N2 O InChI=1S/C8H10N2O/c1-2-8(
    11)10-7-4-3-5-9-6-7/h3-6H
    ,2H2,1H3,(H,10,11);
    QQASUXQGFWJISL-UHFFFAOYSA-N    		 CCC(=O)Nc1cccnc1 ~{N}-pyridin-3-ylpropanamide
    32528 OZV 1 C10 H16 N5 O18 P5 InChI=1S/C10H16N5O18P5/c1
    1-8-5-9(13-2-12-8)15(3-14
    -5)10-7(17)6(16)4(28-10)1
    -27-34(18,19)31-38(26)32-
    36(22,23)29-35(20,21)30-3
    7(24,25)33-38/h2-4,6-7,10
    ,16-17H,1H2,(H,18,19)(H,2
    0,21)(H,22,23)(H,24,25)(H
    2,11,12,13)/t4-,6-,7-,10-
    /m1/s1;
    WWRLCZMRKAWYHG-KQYNXXCUSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O
    [P]4(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O
    )O4)[CH](O)[CH]3O; c1nc(c2c(n1)n(cn2)[C@
    H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP4(
    =O)OP(=O)(OP(=O)(OP(=O)(O4)O)O)O)O)O)N;
    Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=
    O)O[P]4(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)
    (=O)O4)[C@@H](O)[C@H]3O; OP4(OP(OP(=O)(O
    P(O)(=O)OCC3C(C(C(n2c1c(c(N)ncn1)nc2)O3)
    O)O)OP(O4)(=O)O)(O)=O)=O; c1nc(c2c(n1)n(
    cn2)C3C(C(C(O3)COP(=O)(O)OP4(=O)OP(=O)(O
    P(=O)(OP(=O)(O4)O)O)O)O)O)N    		 5'-O-[(R)-hydroxy{[(4R,8S)-4,6,8-trihydroxy-2,4,6,8-tetraoxo-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocan-2-yl]oxy}phosphoryl]adenosine
    32529 OZW 0 C15 H17 N3 O2 InChI=1S/C15H17N3O2/c16-1
    4(15(19)20)10-11-6-8-13(9
    -7-11)18-17-12-4-2-1-3-5-
    12/h1-9,14,17-18H,10,16H2
    ,(H,19,20)/t14-/m0/s1;
    ZLWCHZVFSZLPBY-AWEZNQCLSA-N    		 c1ccc(cc1)NNc2ccc(cc2)C[C@@H](C(=O)O)N;
    c1ccc(cc1)NNc2ccc(cc2)CC(C(=O)O)N; N[CH]
    (Cc1ccc(NNc2ccccc2)cc1)C(O)=O; N[C@@H](C
    c1ccc(NNc2ccccc2)cc1)C(O)=O    		 phenylhydrazinyl phenylalanine
    32530 OZX 3 C16 H12 Cl N3 O InChI=1S/C16H12ClN3O/c17-
    15-7-3-5-12(19-15)8-16(21
    )20-14-10-18-9-11-4-1-2-6
    -13(11)14/h1-7,9-10H,8H2,
    (H,20,21);
    YZQKBSHQXMHNSJ-UHFFFAOYSA-N    		 Clc1cccc(CC(=O)Nc2cncc3ccccc23)n1; c1ccc
    2c(c1)cncc2NC(=O)Cc3cccc(n3)Cl; Clc1cccc
    (CC(=O)Nc2cncc3ccccc32)n1    		 2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
    32531 OZY 8 C31 H56 N7 O18 P InChI=1S/C31H56N7O18P/c1-
    9-19(40)11(10(4-38-9)8-50
    -57(47,48)49)5-37-6-15-22
    (43)24(45)18(36)30(52-15)
    55-27-16(7-39)53-31(25(27
    )46)56-28-20(41)12(33)2-1
    3(34)26(28)54-29-17(35)23
    (44)21(42)14(3-32)51-29/h
    4,12-18,20-31,37,39-46H,2
    -3,5-8,32-36H2,1H3,(H2,47
    ,48,49)/t12-,13+,14-,15-,
    16-,17-,18-,20+,21-,22-,2
    3-,24-,25-,26-,27-,28-,29
    -,30-,31+/m1/s1;
    XKWYFXMYGMVOPV-AWIIFLAXSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]
    ([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C
    @H]([C@@H]3O)O[C@@H]4[C@H]([C@@H](C[C@@H
    ]([C@H]4O[C@@H]5[C@@H]([C@H]([C@@H]([C@H
    ](O5)CN)O)O)N)N)N)O)CO)N)O)O)O; Cc1ncc(C
    O[P](O)(O)=O)c(CNC[C@H]2O[C@H](O[C@H]3[C
    @@H](O)[C@@H](O[C@@H]3CO)O[C@@H]4[C@@H](
    O)[C@H](N)C[C@H](N)[C@H]4O[C@H]5O[C@H](C
    N)[C@@H](O)[C@H](O)[C@H]5N)[C@H](N)[C@@H
    ](O)[C@@H]2O)c1O; Cc1c(c(c(cn1)COP(=O)(O
    )O)CNCC2C(C(C(C(O2)OC3C(OC(C3O)OC4C(C(CC
    (C4OC5C(C(C(C(O5)CN)O)O)N)N)N)O)CO)N)O)O
    )O; Cc1ncc(CO[P](O)(O)=O)c(CNC[CH]2O[CH]
    (O[CH]3[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O
    )[CH](N)C[CH](N)[CH]4O[CH]5O[CH](CN)[CH]
    (O)[CH](O)[CH]5N)[CH](N)[CH](O)[CH]2O)c1
    O; O=P(O)(O)OCc1cnc(c(c1CNCC2C(O)C(C(C(O
    2)OC3C(CO)OC(C3O)OC5C(OC4C(C(C(C(O4)CN)O
    )O)N)C(N)CC(C5O)N)N)O)O)C
    32532 OZZ
    ZINC000064744342    		 1 C19 H19 N3 O9 InChI=1S/C19H19N3O9/c23-1
    1-3-6-21(7-4-11)19-17(27)
    16(26)14(31-19)2-1-5-20-1
    8(28)12-8-10(22(29)30)9-1
    3(24)15(12)25/h1-4,6-9,14
    ,16-17,19,24-27H,5H2,(H,2
    0,28)/b2-1+/t14-,16-,17-,
    19-/m1/s1;
    HVTOTCCLXQPREB-LDNIWRHMSA-N    		 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1\C=C\CNC(
    =O)c2cc(cc(O)c2O)[N+]([O-])=O)N3C=CC(=O)
    C=C3; [O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)N
    C/C=C/C3OC(N2C=CC(=O)C=C2)C(O)C3O; c1c(c
    c(c(c1C(=O)NCC=CC2C(C(C(O2)N3C=CC(=O)C=C
    3)O)O)O)O)[N+](=O)[O-]; c1c(cc(c(c1C(=O)
    NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=
    CC(=O)C=C3)O)O)O)O)[N+](=O)[O-]; O[CH]1[
    CH](O)[CH](O[CH]1C=CCNC(=O)c2cc(cc(O)c2O
    )[N+]([O-])=O)N3C=CC(=O)C=C3    		 N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxopyridin-1-yl)oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide
    32533 P
    ZINC000058633629    		 0 C13 H18 N5 O7 P InChI=1S/C13H18N5O7P/c19-
    7-4-9(25-8(7)5-24-26(21,2
    2)23)18-6-15-10-11(18)16-
    13-14-2-1-3-17(13)12(10)2
    0/h6-9,19H,1-5H2,(H,14,16
    )(H2,21,22,23)/t7-,8+,9+/
    m0/s1;
    KFIWNSGDRAITKG-DJLDLDEBSA-N    		 O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2c
    nc3C(=O)N4CCCNC4=Nc23; c1nc2c(n1[C@H]3C[
    C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4NCCCN4C
    2=O; O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2c
    nc3C(=O)N4CCCNC4=Nc23; c1nc2c(n1C3CC(C(O
    3)COP(=O)(O)O)O)N=C4NCCCN4C2=O; O=C2c3nc
    n(c3N=C1NCCCN12)C4OC(C(O)C4)COP(=O)(O)O    		 2'-DEOXY-N1,N2-PROPANO GUANOSINE MONOPHOSPHATE
    32534 P00
    ZINC000098209278    		 7 C12 H18 N3 O8 P InChI=1S/C12H18N3O8P/c1-7
    -11(16)9(5-15-22-3-2-10(1
    3)12(17)18)8(4-14-7)6-23-
    24(19,20)21/h4-5,10,16H,2
    -3,6,13H2,1H3,(H,17,18)(H
    2,19,20,21)/b15-5+/t10-/m
    0/s1;
    HDUKWWSNPJPYAB-XSFFOXFNSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=NOCC[CH](N)C(O)
    =O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/OC
    C[C@@H](C(=O)O)N)O; Cc1c(c(c(cn1)COP(=O)
    (O)O)C=NOCCC(C(=O)O)N)O; Cc1ncc(CO[P](O)
    (O)=O)c(\C=N\OCC[C@H](N)C(O)=O)c1O    		 (2S)-2-azanyl-4-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxy-butanoic acid
    32535 P01
    CHEMBL23327
    DB04751
    ZINC000000582575    		 4 C19 H25 Cl N6 O InChI=1S/C19H25ClN6O/c1-1
    1(2)15(9-27)23-19-24-17(2
    2-14-7-5-6-13(20)8-14)16-
    18(25-19)26(10-21-16)12(3
    )4/h5-8,10-12,15,27H,9H2,
    1-4H3,(H2,22,23,24,25)/t1
    5-/m0/s1;
    PMXCMJLOPOFPBT-HNNXBMFYSA-N    		 Clc1cccc(c1)Nc3nc(nc2c3ncn2C(C)C)NC(C(C)
    C)CO; CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C
    (C)C)Nc3cccc(c3)Cl; CC(C)[CH](CO)Nc1nc(N
    c2cccc(Cl)c2)c3ncn(C(C)C)c3n1; CC(C)[C@H
    ](CO)Nc1nc(Nc2cccc(Cl)c2)c3ncn(C(C)C)c3n
    1; CC(C)C(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc
    3cccc(c3)Cl    		 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL;
    PURVALANOL A
    32536 P02
    ZINC000263621253    		 1 C20 H25 F N6 O2 S2 InChI=1S/C20H25FN6O2S2/c1
    -6-27(5)31(28,29)26-13-9-
    7-8-12(15(13)21)16-17(14-
    10-11-23-19(22)24-14)30-1
    8(25-16)20(2,3)4/h7-11,26
    H,6H2,1-5H3,(H2,22,23,24);
    YBUJMZKTOUBMGW-UHFFFAOYSA-N    		 CCN(C)[S](=O)(=O)Nc1cccc(c1F)c2nc(sc2c3c
    cnc(N)n3)C(C)(C)C; O=S(=O)(N(CC)C)Nc3c(F
    )c(c1nc(sc1c2nc(ncc2)N)C(C)(C)C)ccc3; CC
    N(C)S(=O)(=O)Nc1cccc(c1F)c2c(sc(n2)C(C)(
    C)C)c3ccnc(n3)N    		 N'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-N-ethyl-N-methylsulfuric diamide
    32537 P03
    ZINC000058633634    		 2 C10 H22 O5 InChI=1S/C10H22O5/c11-3-9
    -14-7-1-5-13-6-2-8-15-10-
    4-12/h11-12H,1-10H2;
    GNAZJSIZGCDIQL-UHFFFAOYSA-N    		 OCCOCCCOCCCOCCO; C(COCCCOCCO)COCCO 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol
    32538 P04
    CHEMBL404508
    DB08338
    ZINC000029129113    		 1 C19 H21 N7 O InChI=1S/C19H21N7O/c27-16
    -7-2-1-4-12-11-20-26-17(1
    2)24-18(25-19(26)23-13-8-
    9-13)22-15-6-3-5-14(10-15
    )21-16/h3,5-6,10-11,13H,1
    -2,4,7-9H2,(H,21,27)(H2,2
    2,23,24,25);
    HIJNSOUPEZHEMC-UHFFFAOYSA-N    		 O=C5Nc1cccc(c1)Nc3nc2c(cnn2c(n3)NC4CC4)C
    CCC5; c1cc2cc(c1)NC(=O)CCCCc3cnn4c3nc(nc
    4NC5CC5)N2; O=C1CCCCc2cnn3c(NC4CC4)nc(Nc
    5cccc(N1)c5)nc23    		 19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one
    32539 P05
    ZINC000095920844    		 1 C20 H24 N4 O2 InChI=1S/C20H24N4O2/c21-1
    7(13-15-5-2-1-3-6-15)20(2
    6)24-12-4-7-18(24)19(25)2
    3-14-16-8-10-22-11-9-16/h
    1-3,5-6,8-11,17-18H,4,7,1
    2-14,21H2,(H,23,25)/t17-,
    18+/m1/s1;
    NYODECMUQISAKD-MSOLQXFVSA-N    		 N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NC
    c3ccncc3; c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)
    NCc3ccncc3)N; c1ccc(cc1)C[C@H](C(=O)N2CC
    C[C@H]2C(=O)NCc3ccncc3)N; N[CH](Cc1ccccc
    1)C(=O)N2CCC[CH]2C(=O)NCc3ccncc3; O=C(NC
    c1ccncc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3    		 D-phenylalanyl-N-(pyridin-4-ylmethyl)-L-prolinamide
    32540 P06
    CHEMBL2028663
    DB08912
    ZINC000068153186    		 12 C23 H20 F3 N5 O2 S2 InChI=1S/C23H20F3N5O2S2/c
    1-23(2,3)21-30-18(19(34-2
    1)16-10-11-28-22(27)29-16
    )12-6-4-9-15(17(12)26)31-
    35(32,33)20-13(24)7-5-8-1
    4(20)25/h4-11,31H,1-3H3,(
    H2,27,28,29);
    BFSMGDJOXZAERB-UHFFFAOYSA-N    		 CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F
    )NS(=O)(=O)c4c(cccc4F)F; c4(N)nc(c1c(nc(
    s1)C(C)(C)C)c2c(c(ccc2)NS(=O)(=O)c3c(ccc
    c3F)F)F)ccn4; CC(C)(C)c1sc(c2ccnc(N)n2)c
    (n1)c3cccc(N[S](=O)(=O)c4c(F)cccc4F)c3F    		 Dabrafenib;
    N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide
    32541 P07 1 C20 H18 N6 InChI=1S/C20H18N6/c1-3-25
    -19-15-11-7-5-9-13(15)18-
    20(26(4-2)24-22-18)16-12-
    8-6-10-14(16)17(19)21-23-
    25/h5-12H,3-4H2,1-2H3/b17
    -14+,18-13+,19-15+,20-16+;
    YRZRZRBFIALCLI-MKVCYXFSSA-N    		 CCn1nnc2c3ccccc3c4n(CC)nnc4c5ccccc5c12;
    CCn1c-2c(nn1)-c3ccccc3-c4c(nnn4CC)-c5c2c
    ccc5; n1nn(c4c1c5c(c2c(nnn2CC)c3ccccc34)
    cccc5)CC    		 1,8-DIETHYL-1,8-DIHYDRODIBENZO[3,4:7,8][1,2,3]TRIAZOLO[4',5':5,6]CYCLOOCTA[1,2-D][1,2,3]TRIAZOLE
    32542 P08
    ZINC000101517114    		 2 C22 H24 N2 O3 InChI=1S/C22H24N2O3/c1-15
    -12-18(16(2)23-17-6-4-3-5
    -7-17)22-19(13-15)20(25)1
    4-21(27-22)24-8-10-26-11-
    9-24/h3-7,12-14,16,23H,8-
    11H2,1-2H3/t16-/m0/s1;
    VRCXIJAYLCUSHC-INIZCTEOSA-N    		 C[CH](Nc1ccccc1)c2cc(C)cc3C(=O)C=C(Oc23)
    N4CCOCC4; C[C@H](Nc1ccccc1)c2cc(C)cc3C(=
    O)C=C(Oc23)N4CCOCC4; Cc1cc2c(c(c1)[C@H](
    C)Nc3ccccc3)OC(=CC2=O)N4CCOCC4; O=C1C=C(
    Oc2c1cc(cc2C(Nc3ccccc3)C)C)N4CCOCC4; Cc1
    cc2c(c(c1)C(C)Nc3ccccc3)OC(=CC2=O)N4CCOC
    C4    		 PIK-108
    32543 P09
    ZINC000003039535    		 1 C22 H19 N O4 InChI=1S/C22H19NO4/c1-14-
    7-10-18(13-15(14)2)27-17-
    11-8-16(9-12-17)23-21(24)
    19-5-3-4-6-20(19)22(25)26
    /h3-13H,1-2H3,(H,23,24)(H
    ,25,26);
    NZJZJKJPXZZEEC-UHFFFAOYSA-N    		 Cc1ccc(Oc2ccc(NC(=O)c3ccccc3C(O)=O)cc2)c
    c1C; Cc1ccc(cc1C)Oc2ccc(cc2)NC(=O)c3cccc
    c3C(=O)O; O=C(O)c1ccccc1C(=O)Nc3ccc(Oc2c
    c(c(cc2)C)C)cc3    		 2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid;
    BPH-1299
    32544 P0A
    ZINC000002169351    		 11 C7 H13 N O4 InChI=1S/C7H13NO4/c8-5(7(
    11)12)3-1-2-4-6(9)10/h5H,
    1-4,8H2,(H,9,10)(H,11,12)
    /t5-/m1/s1;
    JUQLUIFNNFIIKC-RXMQYKEDSA-N    		 C(CCC(=O)O)C[C@H](C(=O)O)N; O=C(O)C(N)CC
    CCC(=O)O; C(CCC(=O)O)CC(C(=O)O)N; N[CH](
    CCCCC(O)=O)C(O)=O; N[C@H](CCCCC(O)=O)C(O
    )=O    		 (2R)-2-aminoheptanedioic acid
    32545 P0B
    ZINC000044867504    		 2 C13 H13 Cl F N3 O2 InChI=1S/C13H13ClFN3O2/c1
    -18(6-8-5-12(19)17-13(20)
    16-8)7-9-10(14)3-2-4-11(9
    )15/h2-5H,6-7H2,1H3,(H2,1
    6,17,19,20);
    WRXCNKOWDSUZRN-UHFFFAOYSA-N    		 CN(Cc1c(cccc1Cl)F)CC2=CC(=O)NC(=O)N2; CN
    (CC1=CC(=O)NC(=O)N1)Cc2c(F)cccc2Cl    		 6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione
    32546 P0C
    ZINC000043771839    		 1 C12 H15 N3 O5 InChI=1S/C12H15N3O5/c1-5-
    2-6-3-15(12(19)14-10(6)13
    -5)11-9(18)8(17)7(4-16)20
    -11/h2-3,7-9,11,16-18H,4H
    2,1H3,(H,13,14,19)/t7-,8-
    ,9-,11-/m1/s1;
    GCNYJWODKQPZDE-TURQNECASA-N    		 CC1=CC2=CN(C(=O)N=C2N1)[C@H]3[C@@H]([C@@
    H]([C@H](O3)CO)O)O; CC1=CC2=CN([C@@H]3O[
    C@H](CO)[C@@H](O)[C@H]3O)C(=O)N=C2N1; CC
    1=CC2=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C(=
    O)N=C2N1; O=C1N=C3C(=CN1C2OC(C(O)C2O)CO)
    C=C(N3)C; CC1=CC2=CN(C(=O)N=C2N1)C3C(C(C
    (O3)CO)O)O    		 6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one;
    6-Methyl-3-(beta-D-2-ribofuranosyl)pyrrolo[2,3-d] pyrimidin-2-one
    32547 P0D
    ZINC000098209279    		 1 C12 H19 N O7 P2 InChI=1S/C12H19NO7P2/c1-9
    (13)21(16,20-22(17,18)19)
    8-11(12(14)15)7-10-5-3-2-
    4-6-10/h2-6,9,11H,7-8,13H
    2,1H3,(H,14,15)(H2,17,18,
    19)/t9-,11-,21+/m1/s1;
    KXASHFLSUHEZCK-UODZXCQVSA-N    		 CC(N)P(=O)(CC(Cc1ccccc1)C(=O)O)OP(=O)(O)
    O; C[CH](N)[P](=O)(C[CH](Cc1ccccc1)C(O)=
    O)O[P](O)(O)=O; C[C@H](N)[P@](=O)(C[C@@H
    ](Cc1ccccc1)C(O)=O)O[P](O)(O)=O; O=C(O)C
    (CP(=O)(OP(=O)(O)O)C(N)C)Cc1ccccc1; C[C@
    H](N)[P@](=O)(C[C@@H](Cc1ccccc1)C(=O)O)O
    P(=O)(O)O    		 (2S)-3-[(S)-[(1R)-1-aminoethyl](phosphonooxy)phosphoryl]-2-benzylpropanoic acid
    32548 P0E
    DB04752
    ZINC000098209280    		 1 C39 H73 O9 P InChI=1S/C39H73O9P/c1-3-5
    -7-9-11-13-15-17-18-20-21
    -23-25-27-29-31-38(41)45-
    35-37(36-47-49(43,44)46-3
    4-33-40)48-39(42)32-30-28
    -26-24-22-19-16-14-12-10-
    8-6-4-2/h14,16-18,37,40H,
    3-13,15,19-36H2,1-2H3,(H,
    43,44)/b16-14-,18-17-/t37
    -/m0/s1;
    PGYPLYNHOCZJEB-JSTCSLLMSA-N    		 CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC
    O)OC(=O)CCCCCCCC=CCCCCCC; O=C(OC(COP(=O)
    (OCCO)O)COC(=O)CCCCCCC\C=C/CCCCCCCC)CCCC
    CCC\C=C/CCCCCC; CCCCCCCC\C=C/CCCCCCCC(=O
    )OC[C@@H](CO[P@@](O)(=O)OCCO)OC(=O)CCCCC
    CC\C=C/CCCCCC; CCCCCCCC\C=C/CCCCCCCC(=O)
    OC[C@@H](CO[P@](=O)(O)OCCO)OC(=O)CCCCCCC
    \C=C/CCCCCC; CCCCCCCCC=CCCCCCCCC(=O)OC[C
    H](CO[P](O)(=O)OCCO)OC(=O)CCCCCCCC=CCCCC
    CC    		 PHOSPHATIDYL ETHANOL;
    (2S)-2-[(9E)-HEXADEC-9-ENOYLOXY]-3-{[HYDROXY(2-HYDROXYETHOXY)PHOSPHORYL]OXY}PROPYL (9E)-OCTADEC-9-ENOATE
    32549 P0F
    CHEMBL4079354    		 1 C15 H12 Cl F N4 O InChI=1S/C15H12ClFN4O/c16
    -12-5-2-6-13(17)11(12)8-1
    8-15-19-14(20-21-15)9-3-1
    -4-10(22)7-9/h1-7,22H,8H2
    ,(H2,18,19,20,21);
    AAAVVDAKZZKRGS-UHFFFAOYSA-N    		 Oc1cccc(c1)c2[nH]c(NCc3c(F)cccc3Cl)nn2;
    c1cc(cc(c1)O)c2[nH]c(nn2)NCc3c(cccc3Cl)F
    ; Clc1cccc(F)c1CNc2nnc(n2)c3cc(O)ccc3    		 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol
    32550 P0G
    CHEMBL1615159
    ZINC000045302446    		 8 C21 H26 N2 O4 InChI=1S/C21H26N2O4/c1-13
    -6-4-5-7-14(13)10-21(2,3)
    22-11-17(25)15-8-9-16(24)
    19-20(15)27-12-18(26)23-1
    9/h4-9,17,22,24-25H,10-12
    H2,1-3H3,(H,23,26)/t17-/m
    0/s1;
    NWQXBEWHTDRJIP-KRWDZBQOSA-N    		 Cc1ccccc1CC(C)(C)NC[CH](O)c2ccc(O)c3NC(=
    O)COc23; O=C1Nc2c(O)ccc(c2OC1)C(O)CNC(C)
    (C)Cc3ccccc3C; Cc1ccccc1CC(C)(C)NC[C@@H]
    (c2ccc(c3c2OCC(=O)N3)O)O; Cc1ccccc1CC(C)
    (C)NC[C@H](O)c2ccc(O)c3NC(=O)COc23; Cc1c
    cccc1CC(C)(C)NCC(c2ccc(c3c2OCC(=O)N3)O)O    		 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one
    32551 P0H
    ZINC000002004342    		 1 C15 H18 N2 O5 InChI=1S/C15H18N2O5/c18-1
    3(17-8-4-7-12(17)14(19)20
    )9-16-15(21)22-10-11-5-2-
    1-3-6-11/h1-3,5-6,12H,4,7
    -10H2,(H,16,21)(H,19,20)/
    t12-/m0/s1;
    ZTUKZKYDJMGJDC-LBPRGKRZSA-N    		 O=C(N1C(C(=O)O)CCC1)CNC(=O)OCc2ccccc2; O
    C(=O)[CH]1CCCN1C(=O)CNC(=O)OCc2ccccc2; O
    C(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc2ccccc2;
    c1ccc(cc1)COC(=O)NCC(=O)N2CCC[C@H]2C(=O
    )O; c1ccc(cc1)COC(=O)NCC(=O)N2CCCC2C(=O)
    O    		 N-[(benzyloxy)carbonyl]glycyl-L-proline
    32552 P0I 2 C26 H33 N3 O3 InChI=1S/C26H33N3O3/c30-2
    5(22-10-7-13-24(20-22)32-
    19-14-21-8-3-1-4-9-21)28-
    15-17-29(18-16-28)26(31)2
    7-23-11-5-2-6-12-23/h2,5-
    7,10-13,20-21H,1,3-4,8-9,
    14-19H2,(H,27,31);
    LWLAYULJAJMPKG-UHFFFAOYSA-N    		 O=C(Nc1ccccc1)N1CCN(CC1)C(=O)c1cccc(OCCC
    2CCCCC2)c1; c1ccc(cc1)NC(=O)N2CCN(CC2)C(
    =O)c3cccc(c3)OCCC4CCCCC4; O=C(Nc1ccccc1)
    N2CCN(CC2)C(=O)c3cccc(OCCC4CCCCC4)c3    		 4-[3-(2-cyclohexylethoxy)benzoyl]-N-phenylpiperazine-1-carboxamide
    32553 P0J 1 H4 O12 P4 InChI=1S/H4O12P4/c1-13(2)
    9-14(3,4)11-16(7,8)12-15(
    5,6)10-13/h(H,1,2)(H,3,4)
    (H,5,6)(H,7,8);
    GIXFALHDORQSOQ-UHFFFAOYSA-N    		 O[P]1(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=
    O)O1; OP1(=O)OP(=O)(OP(=O)(OP(=O)(O1)O)O
    )O; O1P(O)(OP(O)(=O)OP(OP1(=O)O)(=O)O)=O    		 2,4,6,8-tetrahydroxy-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocane-2,4,6,8-tetrone
    32554 P0K 2 C11 H13 N3 O3 InChI=1S/C11H13N3O3/c1-14
    (7-9-3-2-4-17-9)6-8-5-10(
    15)13-11(16)12-8/h2-4H,5-
    7H2,1H3,(H,13,15,16);
    PWXNLVGSEBBXAV-UHFFFAOYSA-N    		 CN(Cc1ccco1)CC2=NC(=O)NC(=O)C2; CN(CC1=N
    C(=O)NC(=O)C1)Cc2occc2    		 6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione
    32555 P0L
    ZINC000098209281    		 0 C14 H22 N O5 P InChI=1S/C14H22NO5P/c1-10
    (2)8-13(15)21(18,19)20-12
    (14(16)17)9-11-6-4-3-5-7-
    11/h3-7,10,12-13H,8-9,15H
    2,1-2H3,(H,16,17)(H,18,19
    )/t12-,13+/m0/s1;
    NWWDZELTKBSVDG-QWHCGFSZSA-N    		 O=C(O)C(OP(=O)(O)C(N)CC(C)C)Cc1ccccc1; C
    C(C)C[C@H](N)[P@](=O)(O)O[C@@H](Cc1ccccc
    1)C(=O)O; CC(C)CC(N)P(=O)(O)OC(Cc1ccccc1
    )C(=O)O; CC(C)C[C@H](N)[P](O)(=O)O[C@@H]
    (Cc1ccccc1)C(O)=O; CC(C)C[CH](N)[P](O)(=
    O)O[CH](Cc1ccccc1)C(O)=O    		 (2S)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid
    32556 P0M 2 C12 H11 N O5 InChI=1S/C12H11NO5/c13-9(
    12(16)17)3-6-4-11(15)18-1
    0-5-7(14)1-2-8(6)10/h1-2,
    4-5,9,14H,3,13H2,(H,16,17
    )/t9-/m0/s1;
    UURZOUPNUFWGBS-VIFPVBQESA-N    		 c1cc2c(cc1O)OC(=O)C=C2CC(C(=O)O)N; c1cc2
    c(cc1O)OC(=O)C=C2C[C@@H](C(=O)O)N; N[CH]
    (CC1=CC(=O)Oc2cc(O)ccc12)C(O)=O; N[C@@H]
    (CC1=CC(=O)Oc2cc(O)ccc12)C(O)=O    		 (2~{S})-2-azanyl-3-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)propanoic acid
    32557 P0N
    ZINC000011803233    		 3 C12 H16 Cl N O InChI=1S/C12H16ClNO/c1-12
    (2)8-15-11(7-14-12)9-5-3-
    4-6-10(9)13/h3-6,11,14H,7
    -8H2,1-2H3/t11-/m0/s1;
    DFWMZTVATFWCIA-NSHDSACASA-N    		 CC1(COC(CN1)c2ccccc2Cl)C; CC1(CO[C@@H](C
    N1)c2ccccc2Cl)C; CC1(C)CO[C@@H](CN1)c2cc
    ccc2Cl; CC1(C)CO[CH](CN1)c2ccccc2Cl    		 (2~{R})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine
    32558 P0O 1 C29 H47 N5 O5 InChI=1S/C29H47N5O5/c1-16
    (35)10-11-18(14-17-12-13-
    30-23(17)36)31-24(37)21-2
    0-19(29(20,8)9)15-34(21)2
    5(38)22(27(2,3)4)32-26(39
    )33-28(5,6)7/h10-11,17-22
    H,12-15H2,1-9H3,(H,30,36)
    (H,31,37)(H2,32,33,39)/b1
    1-10+/t17-,18+,19-,20-,21
    -,22+/m0/s1;
    BKLMFWOPPAUWNX-NWKMKTNDSA-N    		 CC(=O)C=CC(CC1CCNC1=O)NC(=O)C2C3C(C3(C)C
    )CN2C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C; CC(
    =O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@
    H]2[C@@H]3[C@H](CN2C(=O)[C@@H](NC(=O)NC(
    C)(C)C)C(C)(C)C)C3(C)C; CC(=O)C=C[C@H](C
    [C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H
    ](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC
    (C)(C)C; CC(=O)C=C[CH](C[CH]1CCNC1=O)NC(
    =O)[CH]2[CH]3[CH](CN2C(=O)[CH](NC(=O)NC(
    C)(C)C)C(C)(C)C)C3(C)C    		 (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-5-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]hex-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
    32559 P0P
    ZINC000034150383    		 2 C8 H12 N O7 P InChI=1S/C8H12NO7P/c1-4-7
    (10)6(8(11)12)5(2-9-4)3-1
    6-17(13,14)15/h2,8,10-12H
    ,3H2,1H3,(H2,13,14,15);
    WNSLUVKENIMLGR-UHFFFAOYSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)C(O)O)O; O=P(O)
    (O)OCc1cnc(c(O)c1C(O)O)C; Cc1ncc(CO[P](O
    )(O)=O)c(C(O)O)c1O    		 [4-(DIHYDROXYMETHYL)-5-HYDROXY-6-METHYLPYRIDIN-3-YL]METHYL DIHYDROGEN PHOSPHATE
    32560 P0Q
    ZINC000036673008    		 1 C13 H18 Cl N O InChI=1S/C13H18ClNO/c1-9-
    12(16-8-13(2,3)15-9)10-5-
    4-6-11(14)7-10/h4-7,9,12,
    15H,8H2,1-3H3/t9-,12+/m1/
    s1;
    KLPHSXVQSDRPPX-SKDRFNHKSA-N    		 C[C@H]1NC(C)(C)CO[C@@H]1c2cccc(Cl)c2; C[
    CH]1NC(C)(C)CO[CH]1c2cccc(Cl)c2; C[C@@H]
    1[C@H](OCC(N1)(C)C)c2cccc(c2)Cl; CC1C(OC
    C(N1)(C)C)c2cccc(c2)Cl    		 (2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine
    32561 P0S
    ZINC000257373260    		 2 H6 O18 P6 InChI=1S/H6O18P6/c1-19(2)
    13-20(3,4)15-22(7,8)17-24
    (11,12)18-23(9,10)16-21(5
    ,6)14-19/h(H,1,2)(H,3,4)(
    H,5,6)(H,7,8)(H,9,10)(H,1
    1,12);
    SZGVJLCXTSBVKL-UHFFFAOYSA-N    		 O[P]1(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=
    O)O[P](O)(=O)O[P](O)(=O)O1; O=P1(OP(=O)(
    O)OP(O)(OP(OP(OP(O)(O1)=O)(O)=O)(=O)O)=O
    )O; OP1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(O
    P(=O)(O1)O)O)O)O)O    		 2,4,6,8,10,12-hexahydroxy-2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~,10lambda~5~,12lambda~5~-cyclohexaphosphoxane-2,4,6,8,10,12-hexone
    32562 P0T
    CHEMBL190461
    DB09061
    ZINC000004097406    		 78 C21 H30 O2 InChI=1S/C21H30O2/c1-5-6-
    7-8-16-12-19(22)21(20(23)
    13-16)18-11-15(4)9-10-17(
    18)14(2)3/h11-13,17-18,22
    -23H,2,5-10H2,1,3-4H3/t17
    -,18+/m0/s1;
    QHMBSVQNZZTUGM-ZWKOTPCHSA-N    		 C(=C)(\C)C1C(C=C(C)CC1)c2c(cc(cc2O)CCCCC
    )O; CCCCCc1cc(c(c(c1)O)C2C=C(CCC2C(=C)C)
    C)O; CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2
    C(C)=C)c(O)c1; CCCCCc1cc(c(c(c1)O)[C@@H]
    2C=C(CC[C@H]2C(=C)C)C)O; CCCCCc1cc(O)c([
    CH]2C=C(C)CC[CH]2C(C)=C)c(O)c1    		 cannabidiol;
    (1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol
    32563 P0U
    CHEMBL5220623    		 1 C14 H17 N O3 InChI=1S/C14H17NO3/c1-9-1
    1-8-13(18-4)12(17-3)7-10(
    11)5-6-15(2)14(9)16/h5-9H
    ,1-4H3/t9-/m1/s1;
    DIOZLEANHAFFJH-SECBINFHSA-N    		 COc1cc2C=CN(C)C(=O)[C@H](C)c2cc1OC; CC1c
    2cc(c(cc2C=CN(C1=O)C)OC)OC; C[C@@H]1c2cc
    (c(cc2C=CN(C1=O)C)OC)OC; COc1cc2C=CN(C)C
    (=O)[CH](C)c2cc1OC    		 (1~{R})-7,8-dimethoxy-1,3-dimethyl-1~{H}-3-benzazepin-2-one
    32564 P0V 4 C24 H28 N8 O6 InChI=1S/C24H28N8O6/c25-1
    5(24(36)37)6-8-31(7-2-4-1
    3-3-1-5-14(9-13)21(27)35)
    10-16-18(33)19(34)23(38-1
    6)32-12-30-17-20(26)28-11
    -29-22(17)32/h1,3,5,9,11-
    12,15-16,18-19,23,33-34H,
    6-8,10,25H2,(H2,27,35)(H,
    36,37)(H2,26,28,29)/t15-,
    16-,18+,19+,23+/m1/s1;
    BWPXKNJHQXYKGO-VUZQMMKOSA-N    		 N[C@H](CCN(CC#Cc1cccc(c1)C(N)=O)C[C@H]2O
    [C@@H]([C@@H](O)[C@H]2O)n3cnc4c(N)ncnc34
    )C(O)=O; c1cc(cc(c1)C(=O)N)C#CCN(CCC(C(=
    O)O)N)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O; c1
    cc(cc(c1)C(=O)N)C#CCN(CC[C@H](C(=O)O)N)C
    [C@@H]2[C@@H]([C@@H]([C@H](O2)n3cnc4c3nc
    nc4N)O)O; N[CH](CCN(CC#Cc1cccc(c1)C(N)=O
    )C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncn
    c34)C(O)=O; c1c(cccc1C#CCN(CC4C(C(C(n3c2
    ncnc(c2nc3)N)O4)O)O)CCC(N)C(O)=O)C(N)=O    		 9-(5-{[(3R)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-D-lyxofuranosyl)-9H-purin-6-amine
    32565 P0W
    ZINC000058265287    		 1 C16 H17 N5 O2 InChI=1S/C16H17N5O2/c1-20
    (11-13-9-15(22)18-16(23)1
    7-13)10-12-7-8-21(19-12)1
    4-5-3-2-4-6-14/h2-9H,10-1
    1H2,1H3,(H2,17,18,22,23);
    QEPPSXRODAKRSU-UHFFFAOYSA-N    		 CN(Cc1ccn(n1)c2ccccc2)CC3=CC(=O)NC(=O)N3
    ; CN(CC1=CC(=O)NC(=O)N1)Cc2ccn(n2)c3cccc
    c3    		 6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione
    32566 P0X 1 C20 H16 Cl N3 O3 InChI=1S/C20H16ClN3O3/c21
    -13-4-3-5-14(10-13)24-9-8
    -23(12-19(24)26)20(27)16-
    11-18(25)22-17-7-2-1-6-15
    (16)17/h1-7,10-11H,8-9,12
    H2,(H,22,25);
    BJJZCSKOWCBJFK-UHFFFAOYSA-N    		 O=C(C1=CC(=O)Nc2ccccc21)N1CC(=O)N(CC1)c1
    cccc(Cl)c1; c1ccc2c(c1)C(=CC(=O)N2)C(=O)
    N3CCN(C(=O)C3)c4cccc(c4)Cl; Clc1cccc(c1)
    N2CCN(CC2=O)C(=O)C3=CC(=O)Nc4ccccc34    		 4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one
    32567 P0Y
    ZINC000098209282    		 0 C22 H29 N3 O3 S InChI=1S/C22H29N3O3S/c23-
    19(11-16-5-2-1-3-6-16)21(
    26)14-25-10-8-18(12-20(25
    )22(27)28)29-15-17-7-4-9-
    24-13-17/h1-7,9,13,18-21,
    26H,8,10-12,14-15,23H2,(H
    ,27,28)/t18-,19+,20+,21-/
    m1/s1;
    ZHXWLXZCNVHJFZ-IVAOSVALSA-N    		 c1ccc(cc1)CC(C(CN2CCC(CC2C(=O)O)SCc3cccn
    c3)O)N; N[C@@H](Cc1ccccc1)[C@H](O)CN2CC[
    C@H](C[C@H]2C(O)=O)SCc3cccnc3; N[CH](Cc1
    ccccc1)[CH](O)CN2CC[CH](C[CH]2C(O)=O)SCc
    3cccnc3; O=C(O)C3N(CC(O)C(N)Cc1ccccc1)CC
    C(SCc2cccnc2)C3; c1ccc(cc1)C[C@@H]([C@@H
    ](C[N@@]2CC[C@H](C[C@H]2C(=O)O)SCc3cccnc
    3)O)N    		 (2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-[(pyridin-3-ylmethyl)sulfanyl]piperidine-2-carboxylic acid
    32568 P0Z
    ZINC000067230545    		 1 C17 H25 N3 O3 InChI=1S/C17H25N3O3/c1-17
    (2)12-23-14(13-7-5-4-6-8-
    13)11-20(17)10-9-15(21)19
    -16(22)18-3/h4-8,14H,9-12
    H2,1-3H3,(H2,18,19,21,22)
    /t14-/m0/s1;
    IDBQMLQPFSYUGO-AWEZNQCLSA-N    		 CC1(COC(CN1CCC(=O)NC(=O)NC)c2ccccc2)C; C
    NC(=O)NC(=O)CCN1C[CH](OCC1(C)C)c2ccccc2;
    CC1(CO[C@@H](CN1CCC(=O)NC(=O)NC)c2ccccc
    2)C; CNC(=O)NC(=O)CCN1C[C@H](OCC1(C)C)c2
    ccccc2    		 3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide
    32569 P10
    DB02128
    ZINC000012501625    		 1 C27 H29 N3 O5 InChI=1S/C27H29N3O5/c31-1
    8-25(32)23(14-13-20-8-3-1
    -4-9-20)29-26(33)24(16-21
    -10-5-2-6-11-21)30-27(34)
    35-19-22-12-7-15-28-17-22
    /h1-12,15,17,23-24,31H,13
    -14,16,18-19H2,(H,29,33)(
    H,30,34)/t23-,24-/m0/s1;
    QCUBCTPTNWPFBC-ZEQRLZLVSA-N    		 OCC(=O)[CH](CCc1ccccc1)NC(=O)[CH](Cc2ccc
    cc2)NC(=O)OCc3cccnc3; OCC(=O)[C@H](CCc1c
    cccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3cc
    cnc3; O=C(CO)C(NC(=O)C(NC(=O)OCc1cccnc1)
    Cc2ccccc2)CCc3ccccc3; c1ccc(cc1)CC[C@@H]
    (C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc
    3cccnc3; c1ccc(cc1)CCC(C(=O)CO)NC(=O)C(C
    c2ccccc2)NC(=O)OCc3cccnc3    		 [1-(3-HYDROXY-2-OXO-1-PHENETHYL-PROPYLCARBAMOYL)2-PHENYL-ETHYL]-CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER
    32570 P11 0 C41 H56 N17 O8 InChI=1S/C41H55N17O8/c1-5
    3(2)17-8-12-42-31(59)9-13
    -44-37(62)28-20-26(22-56(
    28)5)48-41(66)36-52-30(24
    -58(36)7)50-33(61)11-15-4
    6-39(64)35-51-29(23-57(35
    )6)49-32(60)10-14-45-38(6
    3)27-19-25(21-55(27)4)47-
    40(65)34-43-16-18-54(34)3
    /h16,18-24H,8-15,17H2,1-7
    H3,(H,42,59)(H,44,62)(H,4
    5,63)(H,46,64)(H,47,65)(H
    ,48,66)(H,49,60)(H,50,61)
    /p+1;
    XZTAUBIMIILCRT-UHFFFAOYSA-O    		 O=C(c3nc(NC(=O)CCNC(=O)c2cc(NC(=O)c1nccn
    1C)cn2C)cn3C)NCCC(=O)Nc5nc(C(=O)Nc4cc(C(
    =O)NCCC(=O)NCCC[NH+](C)C)n(c4)C)n(c5)C;
    Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=O)N
    c3cn(c(n3)C(=O)NCCC(=O)Nc4cn(c(n4)C(=O)N
    c5cc(n(c5)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C
    )C; Cn1ccnc1C(=O)Nc2cn(C)c(c2)C(=O)NCCC(
    =O)Nc3cn(C)c(n3)C(=O)NCCC(=O)Nc4cn(C)c(n
    4)C(=O)Nc5cn(C)c(c5)C(=O)NCCC(=O)NCCC[NH
    +](C)C    		 IMIDAZOLE-PYRROLE-BETA ALANINE-IMIDAZOLE-BETA ALANINE-IMIDAZOLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
    32571 P12 0 C16 H29 N5 O2 InChI=1S/C16H27N5O2/c1-22
    -14-3-4-15(23-10-2-5-17)1
    3(11-14)12-20-6-8-21(9-7-
    20)16(18)19/h3-4,11H,2,5-
    10,12,17H2,1H3,(H3,18,19)
    /p+2;
    XWWAFELYNPUCDX-UHFFFAOYSA-P    		 [N@H]=C(N)N2CC[NH+](Cc1cc(OC)ccc1OCCC[NH
    3+])CC2; [H]N=C(N)N1CC[NH+](CC1)Cc2cc(cc
    c2OCCC[NH3+])OC; COc1ccc(OCCC[NH3+])c(C[
    NH+]2CCN(CC2)C(N)=N)c1; [H]/N=C(\N)/N1CC
    [NH+](CC1)Cc2cc(ccc2OCCC[NH3+])OC    		 4-[AMINO(IMINO)METHYL]-1-[2-(3-AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-1-IUM;
    RBT205 INHIBITOR
    32572 P13
    ZINC000022040670    		 0 C24 H33 N5 O InChI=1S/C24H33N5O/c25-7-
    1-15-30-24-5-3-20(19-2-4-
    23-21(16-19)6-8-28-23)17-
    22(24)18-27-11-14-29-12-9
    -26-10-13-29/h2-6,8,16-17
    ,26-28H,1,7,9-15,18,25H2;
    WVRJFVULANTNJW-UHFFFAOYSA-N    		 NCCCOc1ccc(cc1CNCCN2CCNCC2)c3ccc4[nH]ccc
    4c3; O(c3ccc(c2cc1ccnc1cc2)cc3CNCCN4CCNC
    C4)CCCN; c1cc2c(cc[nH]2)cc1c3ccc(c(c3)CN
    CCN4CCNCC4)OCCCN    		 N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE;
    RBT550 INHIBITOR
    32573 P14 0 C16 H31 N7 O2 InChI=1S/C16H29N7O2/c1-24
    -13-4-5-14(25-9-8-23-16(1
    9)20)12(10-13)11-21-6-2-3
    -7-22-15(17)18/h4-5,10,21
    H,2-3,6-9,11H2,1H3,(H4,17
    ,18,22)(H4,19,20,23)/p+2;
    ZCQAXURCNFAREC-UHFFFAOYSA-P    		 COc1ccc(OCCNC(N)=[NH2+])c(CNCCCCNC(N)=[N
    H2+])c1; COc1ccc(c(c1)CNCCCCNC(=[NH2+])N
    )OCCNC(=[NH2+])N; O(c1ccc(OC)cc1CNCCCCNC
    (=[NH2+])\N)CCNC(=[NH2+])\N    		 N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-4-METHOXYPHENOXY)ETHYL]GUANIDINE;
    RBT203 INHIBITOR
    32574 P15
    ZINC000005997860    		 0 C13 H28 O7 InChI=1S/C13H28O7/c1-15-4
    -5-17-8-9-19-12-13-20-11-
    10-18-7-6-16-3-2-14/h14H,
    2-13H2,1H3;
    FHHGCKHKTAJLOM-UHFFFAOYSA-N    		 O(CCOC)CCOCCOCCOCCOCCO; COCCOCCOCCOCCOCC
    OCCO    		 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL
    32575 P16
    CHEMBL327127
    DB08339
    ZINC000002047503    		 6 C21 H16 Cl2 N4 O2 InChI=1S/C21H16Cl2N4O2/c1
    -27-19-13(9-15(20(27)29)1
    8-16(22)6-3-7-17(18)23)10
    -24-21(26-19)25-14-5-2-4-
    12(8-14)11-28/h2-10,28H,1
    1H2,1H3,(H,24,25,26);
    ZIQFYVPVJZEOFS-UHFFFAOYSA-N    		 CN1c2c(cnc(n2)Nc3cccc(c3)CO)C=C(C1=O)c4c
    (cccc4Cl)Cl; Clc4cccc(Cl)c4C3=Cc1c(nc(nc
    1)Nc2cc(ccc2)CO)N(C3=O)C; CN1C(=O)C(=Cc2
    cnc(Nc3cccc(CO)c3)nc12)c4c(Cl)cccc4Cl    		 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE;
    PD166326
    32576 P17
    CHEMBL386051
    DB02567
    ZINC000002047743    		 3 C21 H16 Cl2 N4 O S InChI=1S/C21H16Cl2N4OS/c1
    -27-19-12(9-15(20(27)28)1
    8-16(22)7-4-8-17(18)23)11
    -24-21(26-19)25-13-5-3-6-
    14(10-13)29-2/h3-11H,1-2H
    3,(H,24,25,26);
    VAARYSWULJUGST-UHFFFAOYSA-N    		 CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c
    (cccc4Cl)Cl; CSc1cccc(Nc2ncc3C=C(C(=O)N(
    C)c3n2)c4c(Cl)cccc4Cl)c1; Clc4cccc(Cl)c4
    C3=Cc1c(nc(nc1)Nc2cccc(SC)c2)N(C3=O)C    		 6-(2,6-DICHLORO-PHENYL)-8-METHYL-2-(3-METHYLSULFANYL-PHENYLAMINO)-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE;
    PD173955
    32577 P18
    ZINC000016887440    		 1 C9 H10 O2 InChI=1S/C9H10O2/c10-7-6-
    9(11)8-4-2-1-3-5-8/h1-5,1
    0H,6-7H2;
    PQCFUZMQHVIOSM-UHFFFAOYSA-N    		 c1ccc(cc1)C(=O)CCO; O=C(c1ccccc1)CCO; OC
    CC(=O)c1ccccc1    		 3-hydroxy-1-phenylpropan-1-one
    32578 P19
    CHEMBL231095
    DB08340
    ZINC000016052396    		 1 C17 H14 N6 InChI=1S/C17H14N6/c1-3-7-
    13(8-4-1)19-16-21-15-11-1
    2-18-23(15)17(22-16)20-14
    -9-5-2-6-10-14/h1-12H,(H2
    ,19,20,21,22);
    LLYYAUZAGCZEKV-UHFFFAOYSA-N    		 N(c1ccccc1)c2nc(Nc3ccccc3)n4nccc4n2; n2c
    1ccnn1c(nc2Nc3ccccc3)Nc4ccccc4; c1ccc(cc
    1)Nc2nc3ccnn3c(n2)Nc4ccccc4    		 N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE
    32579 P1A
    CHEMBL549789
    ZINC000004097822    		 8 C27 H44 O6 InChI=1S/C27H44O6/c1-15(2
    )6-7-23(31)26(5,32)22-9-1
    1-27(33)17-12-19(28)18-13
    -20(29)21(30)14-24(18,3)1
    6(17)8-10-25(22,27)4/h12,
    15-16,18,20-23,29-33H,6-1
    1,13-14H2,1-5H3/t16-,18-,
    20+,21-,22-,23+,24+,25+,2
    6+,27+/m0/s1;
    PJYYBCXMCWDUAZ-JJJZTNILSA-N    		 CC(C)CCC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C
    3(CC(C(C4)O)O)C)C)O)O)O; CC(C)CC[C@H]([C
    @@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=
    CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O
    )C)C)O)O)O; CC(C)CC[CH](O)[C](C)(O)[CH]1
    CC[C]2(O)C3=CC(=O)[CH]4C[CH](O)[CH](O)C[
    C]4(C)[CH]3CC[C]12C; O=C1C=C3C(C2(CC(O)C
    (O)CC12)C)CCC4(C)C(C(O)(C)C(O)CCC(C)C)CC
    C34O; CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC
    [C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H
    ](O)C[C@]4(C)[C@H]3CC[C@]12C    		 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE;
    PONASTERONE A;
    25-DEOXYECDYSTERONE;
    25-DEOXY-20-HYDROXYECDYSONE,
    32580 P1B
    ZINC000000968327    		 5 C19 H20 N2 O3 S InChI=1S/C19H20N2O3S/c1-2
    -13-3-6-15(20-12-13)9-10-
    24-16-7-4-14(5-8-16)11-17
    -18(22)21-19(23)25-17/h3-
    8,12,17H,2,9-11H2,1H3,(H,
    21,22,23)/t17-/m1/s1;
    HYAFETHFCAUJAY-QGZVFWFLSA-N    		 CCc1ccc(nc1)CCOc2ccc(cc2)C[C@@H]3C(=O)NC
    (=O)S3; CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC
    3=O)cc2)nc1; O=C1NC(=O)SC1Cc3ccc(OCCc2nc
    c(cc2)CC)cc3; CCc1ccc(nc1)CCOc2ccc(cc2)C
    C3C(=O)NC(=O)S3; CCc1ccc(CCOc2ccc(C[CH]3
    SC(=O)NC3=O)cc2)nc1    		 (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione;
    PIOGLITAZONE
    32581 P1C
    DB03938    		 2 C14 H19 N3 O6 S InChI=1S/C14H19N3O6S/c1-6
    -5-24-12-9(11(19)17(12)10
    (6)14(22)23)16-8(18)4-2-3
    -7(15)13(20)21/h7,9,12H,2
    -5,15H2,1H3,(H,16,18)(H,2
    0,21)(H,22,23)/t7-,9-,12-
    /m1/s1;
    NNQIJOYQWYKBOW-JWKOBGCHSA-N    		 CC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)N)SC1
    )C(=O)O; CC1=C(N2[C@@H]([C@@H](C2=O)NC(=
    O)CCC[C@H](C(=O)O)N)SC1)C(=O)O; O=C2N1C(
    =C(CSC1C2NC(=O)CCCC(C(=O)O)N)C)C(=O)O; C
    C1=C(N2[CH](SC1)[CH](NC(=O)CCC[CH](N)C(O
    )=O)C2=O)C(O)=O; CC1=C(N2[C@H](SC1)[C@H]
    (NC(=O)CCC[C@@H](N)C(O)=O)C2=O)C(O)=O    		 DEACETOXYCEPHALOSPORIN-C
    32582 P1D
    DB04753
    ZINC000012504494    		 1 C13 H16 N3 O8 P InChI=1S/C13H16N3O8P/c17-
    2-6-11-12(24-7(23-11)3-25
    (19,20)21)10(22-6)5-1-14-
    9-8(5)15-4-16-13(9)18/h1,
    4,6-7,10-12,14,17H,2-3H2,
    (H,15,16,18)(H2,19,20,21)
    /t6-,7-,10+,11-,12+/m1/s1;
    ZOEDLCUBOBTIHG-USQSKNHBSA-N    		 OC[CH]1O[CH]([CH]2O[CH](C[P](O)(O)=O)O[C
    H]12)c3c[nH]c4C(=O)NC=Nc34; O=C1NC=Nc2c1
    ncc2C3OC(C4OC(OC34)CP(=O)(O)O)CO; c1c(c2
    c([nH]1)C(=O)NC=N2)C3C4C(C(O3)CO)OC(O4)C
    P(=O)(O)O; c1c(c2c([nH]1)C(=O)NC=N2)[C@H
    ]3[C@H]4[C@@H]([C@H](O3)CO)O[C@H](O4)CP(
    =O)(O)O; OC[C@H]1O[C@H]([C@@H]2O[C@H](C[
    P](O)(O)=O)O[C@H]12)c3c[nH]c4C(=O)NC=Nc3
    4    		 ((2S,3AS,4R,6S)-4-(HYDROXYMETHYL)-6-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-TETRAHYDROFURO[3,4-D][1,3]DIOXO L-2-YL)METHYLPHOSPHONIC ACID;
    9-DEAZAINOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE
    32583 P1E
    CHEMBL509485
    DB08341
    ZINC000040847257    		 5 C19 H25 F3 N6 O2 S InChI=1S/C19H25F3N6O2S/c1
    -23-31(29,30)13-9-7-12(8-
    10-13)25-18-24-11-14(19(2
    0,21)22)17(27-18)26-15-5-
    4-6-16(15)28(2)3/h7-11,15
    -16,23H,4-6H2,1-3H3,(H2,2
    4,25,26,27)/t15-,16-/m1/s
    1;
    CAUFYHKGKDJMQG-HZPDHXFCSA-N    		 CN[S](=O)(=O)c1ccc(Nc2ncc(c(N[C@@H]3CCC[
    C@H]3N(C)C)n2)C(F)(F)F)cc1; O=S(=O)(NC)c
    1ccc(cc1)Nc2nc(c(cn2)C(F)(F)F)NC3CCCC3N(
    C)C; CNS(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)NC
    3CCCC3N(C)C)C(F)(F)F; CNS(=O)(=O)c1ccc(c
    c1)Nc2ncc(c(n2)N[C@@H]3CCC[C@H]3N(C)C)C(
    F)(F)F; CN[S](=O)(=O)c1ccc(Nc2ncc(c(N[CH
    ]3CCC[CH]3N(C)C)n2)C(F)(F)F)cc1    		 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide
    32584 P1F
    CHEMBL264434
    ZINC000029049928    		 8 C18 H23 N O2 InChI=1S/C18H23NO2/c1-2-3
    -4-5-8-14-11-12-18(16(20)
    13-14)21-17-10-7-6-9-15(1
    7)19/h6-7,9-13,20H,2-5,8,
    19H2,1H3;
    UGZFBZMADDXZRA-UHFFFAOYSA-N    		 CCCCCCc1ccc(c(c1)O)Oc2ccccc2N; CCCCCCc1c
    cc(Oc2ccccc2N)c(O)c1; O(c1c(N)cccc1)c2cc
    c(cc2O)CCCCCC    		 2-(2-azanylphenoxy)-5-hexyl-phenol
    32585 P1G
    DB04754
    ZINC000012504495    		 1 C12 H16 N5 O8 P InChI=1S/C12H16N5O8P/c13-
    12-15-9-6(10(19)16-12)14-
    3-17(9)11-8-7(4(1-18)23-1
    1)24-5(25-8)2-26(20,21)22
    /h3-5,7-8,11,18H,1-2H2,(H
    2,20,21,22)(H3,13,15,16,1
    9)/t4-,5-,7-,8-,11-/m1/s1;
    HYAPEMYRVFIHDJ-QWEIRQIHSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH]4
    O[CH](C[P](O)(O)=O)O[CH]34; NC1=Nc2n(cnc
    2C(=O)N1)[C@@H]3O[C@H](CO)[C@H]4O[C@@H](
    C[P](O)(O)=O)O[C@@H]34; c1nc2c(n1C3C4C(C
    (O3)CO)OC(O4)CP(=O)(O)O)N=C(NC2=O)N; c1n
    c2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C
    @H](O4)CP(=O)(O)O)N=C(NC2=O)N; O=C4NC(=N
    c1c4ncn1C3OC(C2OC(OC23)CP(=O)(O)O)CO)N    		 ((2R,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YL)METHYLPHOSPHONIC ACID;
    GUANOSINE-2',3'-O-ETHYLIDENEPHOSPHONATE
    32586 P1H
    ZINC000087515347    		 4 C30 H38 N8 O15 P2 InChI=1S/C30H38N8O15P2/c1
    -2-3-15-8-14(4-6-33-15)21
    (39)16-5-7-37(9-17(16)27(
    32)44)29-24(42)22(40)18(5
    1-29)10-49-54(45,46)53-55
    (47,48)50-11-19-23(41)25(
    43)30(52-19)38-13-36-20-2
    6(31)34-12-35-28(20)38/h4
    -9,12-13,16,18-19,22-25,2
    9-30,40-43H,2-3,10-11H2,1
    H3,(H2,32,44)(H,45,46)(H,
    47,48)(H2,31,34,35)/t16-,
    18+,19+,22+,23+,24+,25+,2
    9+,30+/m0/s1;
    INZZWAGIWIYXKO-NNTKUHMYSA-N    		 CCCc1cc(ccn1)C(=O)[CH]2C=CN(C=C2C(N)=O)[
    CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4
    O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH
    ](O)[CH]3O; CCCc1cc(ccn1)C(=O)[C@H]2C=CN
    (C=C2C(N)=O)[C@@H]3O[C@H](CO[P@@](O)(=O)
    O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@
    H]4O)n5cnc6c(N)ncnc56)[C@@H](O)[C@H]3O;
    CCCc1cc(ccn1)C(=O)[C@H]2C=CN(C=C2C(=O)N)
    [C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(
    O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H
    ](O4)n5cnc6c5ncnc6N)O)O)O)O; CCCc1cc(ccn
    1)C(=O)C2C=CN(C=C2C(=O)N)C3C(C(C(O3)COP(
    =O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc
    6N)O)O)O)O    		 {(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-PROPYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}M ETHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE;
    2-PROPYL-ISONICOTINIC-ACYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
    32587 P1J
    ZINC000001087986    		 2 C8 H9 N3 O5 InChI=1S/C8H9N3O5/c12-5-3
    -4(10-8(16)11-5)7(15)9-2-
    1-6(13)14/h3H,1-2H2,(H,9,
    15)(H,13,14)(H2,10,11,12,
    16);
    HLVBXSGXJVQJGW-UHFFFAOYSA-N    		 OC(=O)CCNC(=O)C1=CC(=O)NC(=O)N1; C(C(O)=
    O)CNC(C=1NC(=O)NC(C=1)=O)=O; C1=C(NC(=O)
    NC1=O)C(=O)NCCC(=O)O    		 N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alanine
    32588 P1K 4 C6 H11 B F3 N4 O7 P S InChI=1S/C6H11BF3N4O7PS/c
    8-6(9,10)3-23(19,20)11-1-
    5-2-14(13-12-5)4-7(15)21-
    22(16,17)18/h2,11,15H,1,3
    -4H2,(H2,16,17,18);
    VRNTWRQJSAWSEY-UHFFFAOYSA-N    		 OB(Cn1cc(CN[S](=O)(=O)CC(F)(F)F)nn1)O[P]
    (O)(O)=O; B(Cn1cc(nn1)CNS(=O)(=O)CC(F)(F
    )F)(O)OP(=O)(O)O    		 phosphonooxy-[[4-[[2,2,2-tris(fluoranyl)ethylsulfonylamino]methyl]-1,2,3-triazol-1-yl]methyl]borinic acid
    32589 P1L
    DB08342
    ZINC000053683097    		 0 C19 H37 N O3 S InChI=1S/C19H37NO3S/c1-2-
    3-4-5-6-7-8-9-10-11-12-13
    -14-15-18(21)24-16-17(20)
    19(22)23/h17H,2-16,20H2,1
    H3,(H,22,23)/t17-/m0/s1;
    FRAMWPHPFIXRCP-KRWDZBQOSA-N    		 CCCCCCCCCCCCCCCC(=O)SCC(C(=O)O)N; CCCCCC
    CCCCCCCCCC(=O)SC[CH](N)C(O)=O; CCCCCCCCC
    CCCCCCC(=O)SC[C@@H](C(=O)O)N; O=C(O)C(N)
    CSC(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC
    (=O)SC[C@H](N)C(O)=O    		 S-PALMITOYL-L-CYSTEINE
    32590 P1M 4 C15 H21 Br N2 InChI=1S/C15H21BrN2/c1-18
    -12-5-4-6-13(18)10-11(9-1
    2)17-15-8-3-2-7-14(15)16/
    h2-3,7-8,11-13,17H,4-6,9-
    10H2,1H3/t11-,12+,13-;
    UZJWAFOJOSGEKL-CLLJXQQHSA-N    		 CN1C2CCCC1CC(C2)Nc3ccccc3Br; CN1[C@@H]2C
    CC[C@H]1CC(C2)Nc3ccccc3Br; C2(CC1CCCC(N1
    C)C2)Nc3c(Br)cccc3; CN1[C@@H]2CCC[C@H]1C
    [C@H](C2)Nc3ccccc3Br; CN1[CH]2CCC[CH]1C[
    CH](C2)Nc3ccccc3Br    		 (3-endo)-N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
    32591 P1O
    ZINC000043352736    		 0 C28 H57 N O8 P InChI=1S/C28H56NO8P/c1-6-
    8-10-12-14-16-18-20-27(30
    )34-24-26(25-36-38(32,33)
    35-23-22-29(3,4)5)37-28(3
    1)21-19-17-15-13-11-9-7-2
    /h26H,6-25H2,1-5H3/p+1/t2
    6-/m1/s1;
    MLKLDGSYMHFAOC-AREMUKBSSA-O    		 CCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+]
    (C)(C)C)OC(=O)CCCCCCCCC; O=C(OC(COP(=O)(
    OCC[N+](C)(C)C)O)COC(=O)CCCCCCCCC)CCCCCC
    CCC; CCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+]
    (C)(C)C)OC(=O)CCCCCCCCC; CCCCCCCCCC(=O)O
    C[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O
    )CCCCCCCCC; CCCCCCCCCC(=O)OC[C@H](CO[P@@
    ](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC    		 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
    32592 P1P 0 C3 H6 O4 P InChI=1S/C3H6O4P/c4-2-1-3
    -7-8(5)6/h1-3H2/q-1;
    GVQSIYRMPBGDCV-UHFFFAOYSA-N    		 [O-][PH2+](=O)OCCC[O-]; [O-]CCCO[P+]([O-
    ])=O; C(C[O-])CO[P+](=O)[O-]    		 3-{[OXIDO(OXO)PHOSPHINO]OXY}PROPAN-1-OLATE;
    PROPYL-1-PHOSPHATE
    32593 P1Q 1 C15 H22 Cl N O3 InChI=1S/C15H22ClNO3/c1-1
    1-9-20-15(12-4-3-5-13(16)
    6-12)8-17(11)7-14(18)10-1
    9-2/h3-6,11,14-15,18H,7-1
    0H2,1-2H3/t11-,14?,15-/m0
    /s1;
    TXSZONYEDFRDCI-NGKXAEKTSA-N    		 COCC(O)CN1C[CH](OC[CH]1C)c2cccc(Cl)c2; C
    C1COC(CN1CC(COC)O)c2cccc(c2)Cl; C[C@H]1C
    O[C@@H](CN1CC(COC)O)c2cccc(c2)Cl; COCC(O
    )CN1C[C@H](OC[C@@H]1C)c2cccc(Cl)c2    		 1-[(2~{R},5~{S})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol
    32594 P1R
    CHEMBL15562
    ZINC000000895216    		 1 C4 H4 N2 InChI=1S/C4H4N2/c1-2-5-4-
    6-3-1/h1-4H;
    CZPWVGJYEJSRLH-UHFFFAOYSA-N    		 c1cncnc1; n1cccnc1 PYRIMIDINE
    32595 P1S
    ZINC000016051733    		 1 C17 H14 O6 InChI=1S/C17H14O6/c18-6-9
    -1-2-10-12(3-9)20-7-17(19
    )11-4-14-15(22-8-21-14)5-
    13(11)23-16(10)17/h1-5,16
    ,18-19H,6-8H2/t16-,17+/m1
    /s1;
    JIYYREVJSFXTSG-SJORKVTESA-N    		 OCc1ccc2[CH]3Oc4cc5OCOc5cc4[C]3(O)COc2c1
    ; O3c2cc1OCOc1cc2C4(O)C3c5ccc(cc5OC4)CO;
    c1cc2c(cc1CO)OC[C@]3([C@@H]2Oc4c3cc5c(c
    4)OCO5)O; c1cc2c(cc1CO)OCC3(C2Oc4c3cc5c(
    c4)OCO5)O; OCc1ccc2[C@H]3Oc4cc5OCOc5cc4[
    C@@]3(O)COc2c1    		 (6AR,12AR)-3-(HYDROXYMETHYL)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-C]CHROMEN-6A(12AH)-OL;
    PISATIN
    32596 P1T
    ZINC000103552502    		 73 C11 H15 N2 O7 P InChI=1S/C11H15N2O7P/c1-6
    -10(14)9(4-13-7(2)11(15)1
    6)8(3-12-6)5-20-21(17,18)
    19/h3,13-14H,2,4-5H2,1H3,
    (H,15,16)(H2,17,18,19);
    BXUDKFHCAMQSRX-UHFFFAOYSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O
    ; Cc1ncc(CO[P](O)(O)=O)c(CNC(=C)C(O)=O)c
    1O; O=P(O)(O)OCc1cnc(c(O)c1CNC(=C)/C(=O)
    O)C    		 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID
    32597 P1U 3 C11 H7 Cl O3 InChI=1S/C11H7ClO3/c12-8-
    3-1-7(2-4-8)9-5-6-10(15-9
    )11(13)14/h1-6H,(H,13,14);
    XIPQHWUSDHTXOO-UHFFFAOYSA-N    		 OC(=O)c1oc(cc1)c2ccc(Cl)cc2; OC(=O)c1ccc
    (o1)c1ccc(Cl)cc1; c1cc(ccc1c2ccc(o2)C(=O
    )O)Cl    		 5-(4-chlorophenyl)furan-2-carboxylic acid
    32598 P1V 0 C9 H16 N4 O2 InChI=1S/C9H16N4O2/c1-6-1
    1-8(13-12-6)5-3-2-4-7(10)
    9(14)15/h7H,2-5,10H2,1H3,
    (H,14,15)(H,11,12,13)/t7-
    /m0/s1;
    BIBVPKMXAKDABB-ZETCQYMHSA-N    		 Cc1[nH]nc(n1)CCCC[C@@H](C(=O)O)N; Cc1[nH
    ]nc(CCCC[C@H](N)C(O)=O)n1; Cc1[nH]nc(n1)
    CCCCC(C(=O)O)N; Cc1[nH]nc(CCCC[CH](N)C(O
    )=O)n1    		 (2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid
    32599 P1W
    CHEMBL3184952
    ZINC000000897129    		 0 C5 H10 O InChI=1S/C5H10O/c1-5(2)3-
    4-6/h3,6H,4H2,1-2H3;
    ASUAYTHWZCLXAN-UHFFFAOYSA-N    		 CC(=CCO)C; CC(C)=CCO 3-methylbut-2-en-1-ol
    32600 P1X 1 C19 H18 Cl N5 O4 InChI=1S/C19H18ClN5O4/c20
    -14-5-3-12(4-6-14)2-1-7-2
    5-11-15(23-24-25)13-8-16(
    26)18(21-9-13)19(29)22-10
    -17(27)28/h3-6,8-9,11,26H
    ,1-2,7,10H2,(H,22,29)(H,2
    7,28);
    RODNKCMKPZCZKG-UHFFFAOYSA-N    		 OC(=O)CNC(=O)c1ncc(cc1O)c2cn(CCCc3ccc(Cl
    )cc3)nn2; c1cc(ccc1CCCn2cc(nn2)c3cc(c(nc
    3)C(=O)NCC(=O)O)O)Cl    		 2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid;
    (5-(1-(3-(4-chlorophenyl)propyl)-1H-1,2,3-triazol-4-yl)-3-hydroxypicolinoyl)glycine
    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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