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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    31801
    P3U
    CHEMBL3357685
    ZINC000098209285    		 1 C24 H30 Cl2 N6 O2 S InChI=1S/C24H30Cl2N6O2S/c
    1-15(2)11-21-23(16(3)31(4
    )29-21)30-35(33,34)24-19(
    25)12-18(13-20(24)26)17-5
    -6-28-22(14-17)32-9-7-27-
    8-10-32/h5-6,12-15,27,30H
    ,7-11H2,1-4H3;
    WKTSLVQYGBHNRV-UHFFFAOYSA-N    		 Cc1c(c(nn1C)CC(C)C)NS(=O)(=O)c2c(cc(cc2C
    l)c3ccnc(c3)N4CCNCC4)Cl; Clc3cc(c2ccnc(N
    1CCNCC1)c2)cc(Cl)c3S(=O)(=O)Nc4c(n(nc4CC
    (C)C)C)C; CC(C)Cc1nn(C)c(C)c1N[S](=O)(=O
    )c2c(Cl)cc(cc2Cl)c3ccnc(c3)N4CCNCC4    		 2,6-DICHLORO-4-(2-PIPERAZIN-1-YLPYRIDIN-4-YL)-N-(1,5-DIMETHYL,3-ISOBUTYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE
    31802
    P3V    		 2 C27 H37 N3 O8 S InChI=1S/C27H37N3O8S/c1-1
    8(2)15-30(39(34,35)21-10-
    8-20(28)9-11-21)17-27(32,
    33)24(14-19-6-4-3-5-7-19)
    29-26(31)38-23-16-37-25-2
    2(23)12-13-36-25/h3-11,18
    ,22-25,32-33H,12-17,28H2,
    1-2H3,(H,29,31)/t22-,23-,
    24-,25+/m0/s1;
    SEALSZHQUGCNGX-OJJQZRKESA-N    		 CC(C)CN(CC(O)(O)[CH](Cc1ccccc1)NC(=O)O[C
    H]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(N)c
    c4; CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3
    C2CCO3)(O)O)S(=O)(=O)c4ccc(cc4)N; CC(C)C
    N(CC([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@
    H]3[C@H]2CCO3)(O)O)S(=O)(=O)c4ccc(cc4)N;
    CC(C)CN(CC(O)(O)[C@H](Cc1ccccc1)NC(=O)O
    [C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=O)c4c
    cc(N)cc4; Nc1ccc(cc1)S(=O)(=O)N(CC(C(Cc2
    ccccc2)NC(=O)OC3C4C(OC3)OCC4)(O)O)CC(C)C    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate
    31803
    P3X    		 1 C35 H68 N O8 P InChI=1S/C35H68NO8P/c1-3-
    5-7-9-11-13-15-16-18-20-2
    2-24-26-28-35(38)44-33(32
    -43-45(39,40)42-30-29-36)
    31-41-34(37)27-25-23-21-1
    9-17-14-12-10-8-6-4-2/h10
    ,12,33H,3-9,11,13-32,36H2
    ,1-2H3,(H,39,40)/b12-10+/
    t33-/m1/s1;
    IXIBEFBSXYIWMP-VCRBCDDQSA-N    		 CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC
    CC=CCCCC)COP(=O)(O)OCCN; CCCCCCCCCCCCCCC
    C(=O)O[CH](COC(=O)CCCCCCCC=CCCCC)CO[P](O
    )(=O)OCCN; NCCOP(O)(=O)OCC(COC(=O)CCCCCC
    C\C=C\CCCC)OC(=O)CCCCCCCCCCCCCCC; CCCCCC
    CCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCC)C
    OP(=O)(O)OCCN; CCCCCCCCCCCCCCCC(=O)O[C@H
    ](COC(=O)CCCCCCC/C=C/CCCC)CO[P](O)(=O)OC
    CN    		 (5E,17R,20S)-23-amino-20-hydroxy-14,20-dioxo-15,19,21-trioxa-20lambda~5~-phosphatricos-5-en-17-yl hexadecanoate
    31804
    P3Y
    CHEMBL1235103
    DB08350
    ZINC000016052463    		 3 C22 H20 N4 O2 InChI=1S/C22H20N4O2/c1-26
    (2)22(27)16-8-14(10-23-11
    -16)15-9-18-19(13-25-21(1
    8)24-12-15)17-6-4-5-7-20(
    17)28-3/h4-13H,1-3H3,(H,2
    4,25);
    GYQRHHQPEMOLKH-UHFFFAOYSA-N    		 COc1ccccc1c2c[nH]c3ncc(cc23)c4cncc(c4)C(
    =O)N(C)C; O=C(N(C)C)c4cc(c1cc2c(nc1)ncc2
    c3ccccc3OC)cnc4; CN(C)C(=O)c1cc(cnc1)c2c
    c3c(c[nH]c3nc2)c4ccccc4OC    		 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE
    31805
    P3Z
    ZINC000000057202    		 1 C15 H16 N2 O2 InChI=1S/C15H16N2O2/c1-19
    -14-6-4-12(5-7-14)15(18,1
    1-2-3-11)13-8-16-10-17-9-
    13/h4-11,18H,2-3H2,1H3/t1
    5-/m0/s1;
    HUTDUHSNJYTCAR-HNNXBMFYSA-N    		 COc1ccc(cc1)C(c2cncnc2)(C3CC3)O; COc1ccc
    (cc1)[C@](c2cncnc2)(C3CC3)O; COc1ccc(cc1
    )[C@@](O)(C2CC2)c3cncnc3; COc1ccc(cc1)[C
    ](O)(C2CC2)c3cncnc3; OC(c1cncnc1)(c2ccc(
    OC)cc2)C3CC3    		 (S)-cyclopropyl(4-methoxyphenyl)pyrimidin-5-ylmethanol
    31806
    P40
    CHEMBL494072
    DB08351
    ZINC000020148990    		 1 C25 H29 N5 O2 InChI=1S/C25H29N5O2/c1-17
    -2-3-19(24(31)28-21-5-6-2
    1)15-22(17)18-4-7-23-20(1
    4-18)16-27-25(29-23)26-8-
    9-30-10-12-32-13-11-30/h2
    -4,7,14-16,21H,5-6,8-13H2
    ,1H3,(H,28,31)(H,26,27,29
    );
    MNEXDVSJIUQQRH-UHFFFAOYSA-N    		 Cc1ccc(cc1c2ccc3nc(NCCN4CCOCC4)ncc3c2)C(
    =O)NC5CC5; Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N
    CCN4CCOCC4)C(=O)NC5CC5; O=C(NC1CC1)c2cc(
    c(cc2)C)c4ccc3nc(ncc3c4)NCCN5CCOCC5    		 N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide;
    N-cyclopropyl-4-methyl-3-(2-((2-(4-morpholinyl)ethyl)amino)-6-quinazolinyl)benzamide
    31807
    P41
    CHEMBL257341
    DB08352
    ZINC000016052868    		 2 C19 H16 F N3 O S InChI=1S/C19H16FN3OS/c1-1
    1(2)22-19-23-15-8-7-12(9-
    16(15)25-19)18-17(21-10-2
    4-18)13-5-3-4-6-14(13)20/
    h3-11H,1-2H3,(H,22,23);
    FQYJTHIYAQQJAB-UHFFFAOYSA-N    		 CC(C)Nc1sc2cc(ccc2n1)c3ocnc3c4ccccc4F; F
    c1ccccc1c4ncoc4c2ccc3nc(sc3c2)NC(C)C; CC
    (C)Nc1nc2ccc(cc2s1)c3c(nco3)c4ccccc4F    		 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(1-methylethyl)-1,3-benzothiazol-2-amine
    31808
    P42    		 7 C42 H88 N O8 P InChI=1S/C42H88NO8P/c1-6-
    8-10-12-14-16-18-20-21-23
    -24-26-28-30-32-34-41(44)
    48-38-40(39-50-52(46,47)4
    9-37-36-43(3,4)5)51-42(45
    )35-33-31-29-27-25-22-19-
    17-15-13-11-9-7-2/h40-42,
    44-45H,6-39H2,1-5H3/t40-,
    41+,42+/m0/s1;
    LYKCEYRWVRQPBD-FEWNNGCESA-N    		 CCCCCCCCCCCCCCCCC[C@H](O)OC[C@@H](CO[P](
    [O-])(=O)OCC[N+](C)(C)C)O[C@@H](O)CCCCCC
    CCCCCCCCC; CCCCCCCCCCCCCCCCC[CH](O)OC[CH
    ](CO[P]([O-])(=O)OCC[N+](C)(C)C)O[CH](O)
    CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCC(O)OC
    C(COP(=O)([O-])OCC[N+](C)(C)C)OC(CCCCCCC
    CCCCCCCC)O; CCCCCCCCCCCCCCCCC[C@H](O)OC[
    C@@H](COP(=O)([O-])OCC[N+](C)(C)C)O[C@H]
    (CCCCCCCCCCCCCCC)O; [O-]P(=O)(OCC[N+](C)
    (C)C)OCC(OC(O)CCCCCCCCCCCCCCC)COC(O)CCCC
    CCCCCCCCCCCCC    		 (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate;
    1-Stearoyl-2-Palmitoyl-sn-Glycero-3-Phosphocholine
    31809
    P43
    CHEMBL272997
    ZINC000003962193    		 6 C25 H23 F N2 O2 InChI=1S/C25H23FN2O2/c26-
    23-7-2-1-5-20(23)8-9-22-1
    0-11-24(30-22)25(29)28-14
    -12-19(13-15-28)21-6-3-4-
    18(16-21)17-27/h1-7,10-11
    ,16,19H,12-15,17,27H2;
    FTLQSQQQFMZPKO-UHFFFAOYSA-N    		 NCc1cccc(c1)C2CCN(CC2)C(=O)c3oc(cc3)C#Cc
    4ccccc4F; O=C(c2oc(C#Cc1ccccc1F)cc2)N4CC
    C(c3cccc(c3)CN)CC4; c1ccc(c(c1)C#Cc2ccc(
    o2)C(=O)N3CCC(CC3)c4cccc(c4)CN)F    		 1-{3-[1-({5-[(2-fluorophenyl)ethynyl]furan-2-yl}carbonyl)piperidin-4-yl]phenyl}methanamine
    31810
    P44
    CHEMBL438303
    DB08353
    ZINC000016052397    		 1 C19 H21 N7 InChI=1S/C19H21N7/c20-11-
    15-13-22-26-17(15)24-18(2
    1-12-14-7-3-1-4-8-14)25-1
    9(26)23-16-9-5-2-6-10-16/
    h2,5-6,9-10,13-14H,1,3-4,
    7-8,12H2,(H2,21,23,24,25);
    NCVMTHVSAJMOPI-UHFFFAOYSA-N    		 c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCC4CCCCC4;
    N#Cc4cnn1c4nc(nc1Nc2ccccc2)NCC3CCCCC3;
    N#Cc1cnn2c(Nc3ccccc3)nc(NCC4CCCCC4)nc12    		 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE
    31811
    P45
    CHEMBL230347
    DB08354
    ZINC000016052398    		 1 C19 H14 Cl N7 InChI=1S/C19H14ClN7/c20-1
    5-8-6-13(7-9-15)11-22-18-
    25-17-14(10-21)12-23-27(1
    7)19(26-18)24-16-4-2-1-3-
    5-16/h1-9,12H,11H2,(H2,22
    ,24,25,26);
    QCVULERVJOYHCP-UHFFFAOYSA-N    		 Clc1ccc(CNc2nc(Nc3ccccc3)n4ncc(C#N)c4n2)
    cc1; c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCc4cc
    c(cc4)Cl; Clc1ccc(cc1)CNc3nc2c(C#N)cnn2c
    (n3)Nc4ccccc4    		 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE
    31812
    P46
    ZINC000584905678    		 1 C23 H27 N5 O6 S InChI=1S/C23H27N5O6S/c24-
    19(11-22(25)31)23(32)27-7
    -5-16(6-8-27)26-17-2-1-14
    -12-28(13-15(14)9-17)35(3
    3,34)21-4-3-18(29)10-20(2
    1)30/h1-4,9-10,12-13,16,1
    9,26,29-30H,5-8,11,24H2,(
    H2,25,31)/t19-/m0/s1;
    HAMJZOUVHDEUSM-IBGZPJMESA-N    		 c1(cc(c(cc1)S(=O)(=O)n3cc2cc(ccc2c3)NC4C
    CN(C(C(CC(=O)N)N)=O)CC4)O)O; c1cc2cn(cc2
    cc1NC3CCN(CC3)C(=O)C(CC(=O)N)N)S(=O)(=O)
    c4ccc(cc4O)O; c1cc2cn(cc2cc1NC3CCN(CC3)C
    (=O)[C@H](CC(=O)N)N)S(=O)(=O)c4ccc(cc4O)
    O; N[CH](CC(N)=O)C(=O)N1CCC(CC1)Nc2ccc3c
    n(cc3c2)[S](=O)(=O)c4ccc(O)cc4O; N[C@@H]
    (CC(N)=O)C(=O)N1CCC(CC1)Nc2ccc3cn(cc3c2)
    [S](=O)(=O)c4ccc(O)cc4O    		 (3S)-3-amino-4-[4-({2-[(2,4-dihydroxyphenyl)sulfonyl]-2H-isoindol-5-yl}amino)piperidin-1-yl]-4-oxobutanamide
    31813
    P47
    CHEMBL539134
    ZINC000042923782    		 1 C17 H15 Cl O2 InChI=1S/C17H15ClO2/c18-1
    6-10-7-13(8-11-16)6-9-15(
    12-17(19)20)14-4-2-1-3-5-
    14/h1-5,7-8,10-12H,6,9H2,
    (H,19,20)/b15-12-;
    LLJYFDRQFPQGNY-QINSGFPZSA-N    		 Clc1ccc(cc1)CCC(\c2ccccc2)=C\C(=O)O; c1c
    cc(cc1)/C(=C\C(=O)O)/CCc2ccc(cc2)Cl; OC(
    =O)C=C(CCc1ccc(Cl)cc1)c2ccccc2; OC(=O)\C
    =C(CCc1ccc(Cl)cc1)/c2ccccc2; c1ccc(cc1)C
    (=CC(=O)O)CCc2ccc(cc2)Cl    		 (2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid
    31814
    P48
    CHEMBL564829
    DB16232
    ZINC000053119602    		 4 C25 H32 N8 O InChI=1S/C25H32N8O/c1-25(
    2)14-16-15-27-24(29-20(16
    )22-19(25)21(23(34)26-3)3
    0-32(22)5)28-17-6-8-18(9-
    7-17)33-12-10-31(4)11-13-
    33/h6-9,15H,10-14H2,1-5H3
    ,(H,26,34)(H,27,28,29);
    RXZMYLDMFYNEIM-UHFFFAOYSA-N    		 CNC(=O)c1nn(C)c2c3nc(Nc4ccc(cc4)N5CCN(C)
    CC5)ncc3CC(C)(C)c12; O=C(NC)c3nn(c2c1nc(
    ncc1CC(c23)(C)C)Nc4ccc(cc4)N5CCN(C)CC5)C
    ; CC1(Cc2cnc(nc2-c3c1c(nn3C)C(=O)NC)Nc4c
    cc(cc4)N5CCN(CC5)C)C    		 N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE
    31815
    P49
    CHEMBL1098060
    DB08355
    ZINC000039001795    		 2 C17 H15 N5 O2 InChI=1S/C17H15N5O2/c1-22
    -15-12(14(21-22)16(23)24)
    8-7-10-9-18-17(20-13(10)1
    5)19-11-5-3-2-4-6-11/h2-6
    ,9H,7-8H2,1H3,(H,23,24)(H
    ,18,19,20);
    ZOBRPBVIEUWYJR-UHFFFAOYSA-N    		 Cn1c-2c(c(n1)C(=O)O)CCc3c2nc(nc3)Nc4cccc
    c4; O=C(O)c2nn(c3c1nc(ncc1CCc23)Nc4ccccc
    4)C; Cn1nc(C(O)=O)c2CCc3cnc(Nc4ccccc4)nc
    3c12    		 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid
    31816
    P4A
    CHEMBL192894
    DB08356
    ZINC000004641406    		 3 C17 H16 N2 O3 InChI=1S/C17H16N2O3/c1-10
    -16(11-3-6-13(22-2)7-4-11
    )17(19-18-10)14-8-5-12(20
    )9-15(14)21/h3-9,20-21H,1
    -2H3,(H,18,19);
    GSBFARPNIZUMHA-UHFFFAOYSA-N    		 COc1ccc(cc1)c2c(C)[nH]nc2c3ccc(O)cc3O; O
    c3ccc(c2nnc(c2c1ccc(OC)cc1)C)c(O)c3; Cc1
    c(c(n[nH]1)c2ccc(cc2O)O)c3ccc(cc3)OC    		 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol;
    3-(2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1h-pyrazole
    31817
    P4B    		 6 C6 H14 N2 O3 InChI=1S/C6H14N2O3/c1-4(9
    )8-5(2-3-7)6(10)11/h4-5,8
    -9H,2-3,7H2,1H3,(H,10,11)
    /t4-,5+/m0/s1;
    WSKLDXXLKTXXMW-CRCLSJGQSA-N    		 C[C@H](O)N[C@H](CCN)C(O)=O; C[C@@H](N[C@
    H](CCN)C(=O)O)O; CC(NC(CCN)C(=O)O)O; C[C
    H](O)N[CH](CCN)C(O)=O    		 (2~{R})-4-azanyl-2-[[(1~{S})-1-oxidanylethyl]amino]butanoic acid
    31818
    P4C
    ZINC000005828795    		 0 C14 H28 O8 InChI=1S/C14H28O8/c15-1-3
    -17-5-7-19-9-11-21-13-14-
    22-12-10-20-8-6-18-4-2-16
    /h1,16H,2-14H2;
    CTLLATPOKUEFSQ-UHFFFAOYSA-N    		 C(COCCOCCOCCOCCOCCOCC=O)O; OCCOCCOCCOCCO
    CCOCCOCC=O; O=CCOCCOCCOCCOCCOCCOCCO    		 O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL;
    POLYETHYLENE 400
    31819
    P4D
    ZINC000066166520    		 1 C13 H18 N O7 P InChI=1S/C13H18NO7P/c14-1
    1(5-8-1-3-10(15)4-2-8)22(
    20,21)7-9(13(18)19)6-12(1
    6)17/h1-4,9,11,15H,5-7,14
    H2,(H,16,17)(H,18,19)(H,2
    0,21)/t9-,11+/m0/s1;
    UESSIRUCJXFQBC-GXSJLCMTSA-N    		 c1cc(ccc1C[C@H](N)P(=O)(C[C@H](CC(=O)O)C
    (=O)O)O)O; N[C@@H](Cc1ccc(O)cc1)[P](O)(=
    O)C[C@H](CC(O)=O)C(O)=O; N[CH](Cc1ccc(O)
    cc1)[P](O)(=O)C[CH](CC(O)=O)C(O)=O; O=C(
    O)C(CC(=O)O)CP(=O)(O)C(N)Cc1ccc(O)cc1; c
    1cc(ccc1CC(N)P(=O)(CC(CC(=O)O)C(=O)O)O)O    		 (2R)-2-{[(S)-[(1R)-1-amino-2-(4-hydroxyphenyl)ethyl](hydroxy)phosphoryl]methyl}butanedioic acid;
    L-TYR-D-ASP PHOSPHINATE PSEUDODIPEPTIDE
    31820
    P4E
    ZINC000002385776    		 0 C11 H13 N O2 InChI=1S/C11H13NO2/c12-10
    (11(13)14)8-4-7-9-5-2-1-3
    -6-9/h1-7,10H,8,12H2,(H,1
    3,14)/b7-4+/t10-/m0/s1;
    MCGSKGBMVBECNS-QBBOHKLWSA-N    		 c1ccc(cc1)C=CCC(C(=O)O)N; N[C@@H](C\C=C\
    c1ccccc1)C(O)=O; c1ccc(cc1)C=CC[C@@H](C(
    =O)O)N; O=C(O)C(N)C/C=C/c1ccccc1; N[CH](
    CC=Cc1ccccc1)C(O)=O    		 (2S,4E)-2-amino-5-phenylpent-4-enoic acid
    31821
    P4F
    ZINC000098209286    		 2 C5 H8 F2 N O6 P InChI=1S/C5H8F2NO6P/c6-5(
    7,15(12,13)14)3(9)1-2(8)4
    (10)11/h2H,1,8H2,(H,10,11
    )(H2,12,13,14)/t2-/m1/s1;
    WIAFNWXXJIHDPS-UWTATZPHSA-N    		 C([C@H](C(=O)O)N)C(=O)C(F)(F)P(=O)(O)O;
    N[C@H](CC(=O)C(F)(F)[P](O)(O)=O)C(O)=O;
    O=C(C(F)(F)P(=O)(O)O)CC(C(=O)O)N; N[CH](
    CC(=O)C(F)(F)[P](O)(O)=O)C(O)=O; C(C(C(=
    O)O)N)C(=O)C(F)(F)P(=O)(O)O    		 5,5-difluoro-4-oxo-5-phosphono-D-norvaline
    31822
    P4G
    CHEMBL1235106
    DB08357
    ZINC000002041052    		 0 C8 H18 O3 InChI=1S/C8H18O3/c1-3-9-5
    -7-11-8-6-10-4-2/h3-8H2,1
    -2H3;
    RRQYJINTUHWNHW-UHFFFAOYSA-N    		 O(CCOCCOCC)CC; CCOCCOCCOCC 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE
    31823
    P4H
    CHEMBL3182608
    ZINC000002512313    		 3 C13 H10 O5 InChI=1S/C13H10O5/c14-8-2
    -3-9(11(16)6-8)13(18)7-1-
    4-10(15)12(17)5-7/h1-6,14
    -17H;
    UQQYIAVMUUJWGX-UHFFFAOYSA-N    		 Oc1ccc(c(O)c1)C(=O)c2ccc(O)c(O)c2; c1cc(
    c(cc1C(=O)c2ccc(cc2O)O)O)O    		 [2,4-bis(oxidanyl)phenyl]-[3,4-bis(oxidanyl)phenyl]methanone
    31824
    P4I    		 14 C22 H19 Br N4 O InChI=1S/C22H19BrN4O/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;
    OMSVNMQQTCODGS-UHFFFAOYSA-N    		 c1cc(cc(c1)C#N)CN2CCC3=C(C2)C(=O)N(C=N3)
    Cc4ccc(cc4)Br; Brc1ccc(cc1)CN1C=NC=2CCN(
    Cc3cccc(C#N)c3)CC=2C1=O; Brc1ccc(CN2C=NC
    3=C(CN(CC3)Cc4cccc(c4)C#N)C2=O)cc1    		 3-({3-[(4-bromophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile
    31825
    P4J    		 1 C8 H9 N2 O22 V6 InChI=1S/C8H9N2O4.15H2O.3
    O.6V/c11-3-5-6(12)7(13)8(
    14-5)10-2-1-9-4-10;;;;;;;
    ;;;;;;;;;;;;;;;;;/h1-2,4-
    8H,3H2;15*1H2;;;;;;;;;/q-
    3;;;;;;;;;;;;;;;;;;;+2;4*
    +3;+4/p-15/t5-,6+,7+,8+;;
    ;;;;;;;;;;;;;;;;;;;;;;/m0
    ......................../
    s1;
    OAPMYOKMHVXLOA-RERAPKNWSA-A    		 c1cn(cn1)C2C(C(C(O2)CO[V]([O])([O])O[V](
    [O])([O])[O])O[V]([O])([O])O[V]([O])([O]
    )O[V]([O])([O])[O])O[V]([O])([O])[O]; C1
    (C(O[V](O)(O)O)C(O[V](O)(O)O[V](O)(O)O[V
    ](O)(O)O)C(CO[V](O)(O)O[V](O)(O)O)O1)n2c
    cnc2; c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@@H
    ](O2)CO[V]([O])([O])O[V]([O])([O])[O])O[
    V]([O])([O])O[V]([O])([O])O[V]([O])([O])
    [O])O[V]([O])([O])[O]; O.O.O.O.O.O.O.O.O
    .O.O.O.O.O.O.[V]O[V]OC[CH]1O[CH]([CH](O[
    V])[CH]1O[V]O[V]O[V])n2ccnc2; O.O.O.O.O.
    O.O.O.O.O.O.O.O.O.O.[V]O[V]OC[C@@H]1O[C@
    H]([C@H](O[V])[C@@H]1O[V]O[V]O[V])n2ccnc
    2    		 [(2~{R},3~{R},4~{R},5~{S})-2-(5-azanylimidazol-1-yl)-4-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]oxy-5-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxymethyl]oxolan-3-yl]oxy-tris(oxidanyl)vanadium
    31826
    P4K    		 22 C30 H62 O15 InChI=1S/C30H62O15/c1-2-3
    2-5-6-34-9-10-36-13-14-38
    -17-18-40-21-22-42-25-26-
    44-29-30-45-28-27-43-24-2
    3-41-20-19-39-16-15-37-12
    -11-35-8-7-33-4-3-31/h31H
    ,2-30H2,1H3;
    WWPGFZAAWXFBTF-UHFFFAOYSA-N    		 CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
    COCCO; OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC
    OCCOCCOCCOCC    		 polyethylene glycol;
    3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracontan-1-ol
    31827
    P4L
    CHEMBL1235107
    ZINC000013467796    		 1 C12 H11 N3 O S InChI=1S/C12H11N3OS/c16-1
    2-8-7-17-6-4-9(8)14-11(15
    -12)10-3-1-2-5-13-10/h1-3
    ,5H,4,6-7H2,(H,14,15,16);
    RBVWEFJWVRUKIS-UHFFFAOYSA-N    		 n1c(O)c3c(nc1c2ncccc2)CCSC3; c1ccnc(c1)c
    2nc3c(c(n2)O)CSCC3; Oc1nc(nc2CCSCc12)c3c
    cccn3    		 2-pyridin-2-yl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol
    31828
    P4M
    CHEMBL5219474    		 1 C13 H15 N O3 InChI=1S/C13H15NO3/c1-14-
    5-4-9-6-11(16-2)12(17-3)7
    -10(9)8-13(14)15/h4-7H,8H
    2,1-3H3;
    SNBSBSFGIKHBLT-UHFFFAOYSA-N    		 CN1C=Cc2cc(c(cc2CC1=O)OC)OC; COc1cc2CC(=
    O)N(C)C=Cc2cc1OC    		 7,8-dimethoxy-3-methyl-1~{H}-3-benzazepin-2-one;
    7,8-dimethoxy-3-methyl-1,3-dihydro-2H-benzo[d]azepin-2-one
    31829
    P4N
    CHEMBL514554
    ZINC000035636073    		 1 C22 H20 F3 N5 O3 S InChI=1S/C22H20F3N5O3S/c1
    -34(32,33)16-4-2-3-13(9-1
    6)11-26-20-17(22(23,24)25
    )12-27-21(30-20)28-15-6-7
    -18-14(10-15)5-8-19(31)29
    -18/h2-4,6-7,9-10,12H,5,8
    ,11H2,1H3,(H,29,31)(H2,26
    ,27,28,30);
    HESLKTSGTIBHJU-UHFFFAOYSA-N    		 C[S](=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)C
    Cc4c3)ncc2C(F)(F)F)c1; CS(=O)(=O)c1cccc(
    c1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(
    F)(F)F    		 6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1~{H}-quinolin-2-one
    31830
    P4O
    CHEMBL226403
    DB08358
    ZINC000016052855    		 27 C21 H16 N4 O InChI=1S/C21H16N4O/c26-21
    -16-11-20(25-18(16)6-8-23
    -21)14-5-7-22-19(10-14)15
    -9-13-3-1-2-4-17(13)24-12
    -15/h1-5,7,9-12,25H,6,8H2
    ,(H,23,26);
    OWFLADWRSCINST-UHFFFAOYSA-N    		 c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc5c([nH]4
    )CCNC5=O; O=C1NCCc2[nH]c(cc12)c3ccnc(c3)
    c4cnc5ccccc5c4; O=C2c1cc(nc1CCN2)c5ccnc(
    c3cc4ccccc4nc3)c5    		 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
    31831
    P4P
    CHEMBL1182234
    ZINC000008234386    		 12 C24 H20 P InChI=1S/C24H20P/c1-5-13-
    21(14-6-1)25(22-15-7-2-8-
    16-22,23-17-9-3-10-18-23)
    24-19-11-4-12-20-24/h1-20
    H/q+1;
    USFPINLPPFWTJW-UHFFFAOYSA-N    		 c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4cccc
    c4; c1c(cccc1)[P+](c2ccccc2)(c3ccccc3)c4
    ccccc4    		 TETRAPHENYLPHOSPHONIUM
    31832
    P4Q    		 1 C7 H6 N4 InChI=1S/C7H6N4/c8-7-6-5(
    10-4-11-7)2-1-3-9-6/h1-4H
    ,(H2,8,10,11);
    DGXAOSOMFMODCF-UHFFFAOYSA-N    		 Nc1ncnc2cccnc12; c1cc2c(c(ncn2)N)nc1 pyrido[3,2-d]pyrimidin-4-amine
    31833
    P4R    		 5 C20 H14 Cl N3 O3 InChI=1S/C20H14ClN3O3/c21
    -13-5-6-17-15(9-13)20(7-8
    -27-17)18(25)24(19(26)23-
    20)16-11-22-10-12-3-1-2-4
    -14(12)16/h1-6,9-11H,7-8H
    2,(H,23,26)/t20-/m0/s1;
    FSSOHAWMSBZQQQ-FQEVSTJZSA-N    		 c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)
    Cl)NC3=O; Clc1ccc2OCCC3(NC(=O)N(C3=O)c3c
    ncc4ccccc43)c2c1; c1ccc2c(c1)cncc2N3C(=O
    )[C@@]4(CCOc5c4cc(cc5)Cl)NC3=O; Clc1ccc2
    OCC[C@]3(NC(=O)N(C3=O)c4cncc5ccccc45)c2c
    1; Clc1ccc2OCC[C]3(NC(=O)N(C3=O)c4cncc5c
    cccc45)c2c1    		 (1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione
    31834
    P4S
    ZINC000005350761    		 7 C24 H32 O5 InChI=1S/C24H32O5/c1-21-8
    -5-15(25)12-23(21,27)10-7
    -17-16(21)6-9-22(2)18(11-
    19-24(17,22)29-19)14-3-4-
    20(26)28-13-14/h3-4,13,15
    -19,25,27H,5-12H2,1-2H3/t
    15-,16-,17+,18+,19+,21+,2
    2+,23-,24+/m0/s1;
    JMNQTHQLNRILMH-OBBGIPBRSA-N    		 CC12CCC(CC1(CCC3C2CCC4(C35C(O5)CC4C6=COC
    (=O)C=C6)C)O)O; C[C]12CC[CH](O)C[C]1(O)C
    C[CH]3[CH]2CC[C]4(C)[CH](C[CH]5O[C]345)C
    6=COC(=O)C=C6; C[C@]12CC[C@H](O)C[C@@]1(
    O)CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](C[C@H]
    5O[C@@]345)C6=COC(=O)C=C6; C[C@]12CC[C@@
    H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@]35
    [C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O)O; C
    12(C)CCC(CC1(O)CCC6C2CCC4(C(C3=COC(=O)C=
    C3)CC5C46O5)C)O    		 (3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide
    31835
    P4T
    CHEMBL1235108
    DB08359
    ZINC000000153609    		 2 C12 H12 N2 O S InChI=1S/C12H12N2OS/c1-8-
    11(9(2)15)16-12(13-8)14-1
    0-6-4-3-5-7-10/h3-7H,1-2H
    3,(H,13,14);
    UIIUOFPGDKBCEZ-UHFFFAOYSA-N    		 CC(=O)c1sc(Nc2ccccc2)nc1C; O=C(c1sc(nc1C
    )Nc2ccccc2)C; Cc1c(sc(n1)Nc2ccccc2)C(=O)
    C    		 2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLE;
    1-[4-methyl-2-(phenylamino)-1,3-thiazol-5-yl]ethanone
    31836
    P4U    		 0 C12 H19 N2 O9 P InChI=1S/C12H19N2O9P/c1-2
    -5-21-8-3-4-14(12(17)13-8
    )11-10(16)9(15)7(23-11)6-
    22-24(18,19)20/h3-4,7,9-1
    1,15-16H,2,5-6H2,1H3,(H2,
    18,19,20)/t7-,9-,10-,11-/
    m1/s1;
    YIPJYDZHQZNRLV-QCNRFFRDSA-N    		 CCCOC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H](
    [C@H](O2)COP(=O)(O)O)O)O; CCCOC1=NC(=O)N
    (C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H]
    (O)[C@H]2O; CCCOC1=NC(=O)N(C=C1)C2C(C(C(
    O2)COP(=O)(O)O)O)O; CCCOC1=NC(=O)N(C=C1)
    [CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O    		 4-propyl, uridine-5'-monophosphate
    31837
    P4V
    CHEMBL2334889
    ZINC000019535046    		 1 C21 H25 N O4 InChI=1S/C21H25NO4/c1-23-
    18-6-5-13-9-17-15-11-20(2
    5-3)19(24-2)10-14(15)7-8-
    22(17)12-16(13)21(18)26-4
    /h5-6,10-11,17H,7-9,12H2,
    1-4H3/t17-/m1/s1;
    AEQDJSLRWYMAQI-QGZVFWFLSA-N    		 COc1cc2CCN3Cc4c(C[CH]3c2cc1OC)ccc(OC)c4O
    C; COc1c2CN3CCc4cc(OC)c(OC)cc4C3Cc2ccc1O
    C; COc1ccc2c(c1OC)CN3CCc4cc(c(cc4C3C2)OC
    )OC; COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@H]
    3C2)OC)OC; COc1cc2CCN3Cc4c(C[C@@H]3c2cc1
    OC)ccc(OC)c4OC    		 rotundine
    31838
    P4W
    ZINC000036662092    		 2 C11 H12 N2 O2 S InChI=1S/C11H12N2O2S/c1-1
    3(2)16(14,15)11-5-3-4-9-8
    -12-7-6-10(9)11/h3-8H,1-2
    H3;
    MRHJXMWWAQWJDD-UHFFFAOYSA-N    		 CN(C)S(=O)(=O)c1cccc2c1ccnc2; CN(C)[S](=
    O)(=O)c1cccc2cnccc12    		 ~{N},~{N}-dimethylisoquinoline-5-sulfonamide
    31839
    P4X
    CHEMBL5219602    		 1 C18 H21 N3 O3 InChI=1S/C18H21N3O3/c1-11
    -14-5-4-12(17(23)10-22)6-
    15(14)16(9-20(2)18(11)24)
    13-7-19-21(3)8-13/h4-9,11
    ,17,22-23H,10H2,1-3H3/t11
    -,17+/m1/s1;
    CJVJSGBELMMESS-DIFFPNOSSA-N    		 CC1c2ccc(cc2C(=CN(C1=O)C)c3cnn(c3)C)C(CO
    )O; C[CH]1C(=O)N(C)C=C(c2cnn(C)c2)c3cc(c
    cc13)[CH](O)CO; C[C@H]1C(=O)N(C)C=C(c2cn
    n(C)c2)c3cc(ccc13)[C@@H](O)CO; C[C@@H]1c
    2ccc(cc2C(=CN(C1=O)C)c3cnn(c3)C)[C@H](CO
    )O    		 (1~{R})-7-[(1~{R})-1,2-bis(oxidanyl)ethyl]-1,3-dimethyl-5-(1-methylpyrazol-4-yl)-1~{H}-3-benzazepin-2-one
    31840
    P4Y
    ZINC000066167058    		 1 C20 H15 N3 O4 InChI=1S/C20H15N3O4/c24-1
    8-17(20(26)27)22-15(23-19
    (18)25)10-13-12-8-4-5-9-1
    4(12)21-16(13)11-6-2-1-3-
    7-11/h1-9,21,24H,10H2,(H,
    26,27)(H,22,23,25);
    JONQCFJPPWOWOJ-UHFFFAOYSA-N    		 c1ccc(cc1)c2c(c3ccccc3[nH]2)Cc4nc(c(c(n4
    )O)O)C(=O)O; OC(=O)c1nc(Cc2c([nH]c3ccccc
    23)c4ccccc4)nc(O)c1O; O=C(O)c1nc(nc(O)c1
    O)Cc3c2ccccc2nc3c4ccccc4    		 5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid
    31841
    P4Z
    CHEMBL5290005    		 2 C25 H19 Cl F N5 O InChI=1S/C25H19ClFN5O/c1-
    2-20(25(29)33)31-24-17-10
    -11-30-13-21(17)32-23(18(
    24)12-28)15-8-6-14(7-9-15
    )16-4-3-5-19(26)22(16)27/
    h3-11,13,20H,2H2,1H3,(H2,
    29,33)(H,31,32)/t20-/m1/s
    1;
    LACMSNCHWBQXEK-HXUWFJFHSA-N    		 CCC(C(=O)N)Nc1c2ccncc2nc(c1C#N)c3ccc(cc3
    )c4cccc(c4F)Cl; CC[C@@H](Nc1c2ccncc2nc(c
    3ccc(cc3)c4cccc(Cl)c4F)c1C#N)C(N)=O; CC[
    CH](Nc1c2ccncc2nc(c3ccc(cc3)c4cccc(Cl)c4
    F)c1C#N)C(N)=O; CC[C@H](C(=O)N)Nc1c2ccnc
    c2nc(c1C#N)c3ccc(cc3)c4cccc(c4F)Cl    		 (2~{R})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide
    31842
    P50    		 1 C40 H76 N O9 P InChI=1S/C40H76NO9P/c1-3-
    5-7-9-11-13-15-17-18-20-2
    2-24-26-28-30-32-40(44)50
    -38(36-49-51(45,46)48-34-
    37(41)33-42)35-47-39(43)3
    1-29-27-25-23-21-19-16-14
    -12-10-8-6-4-2/h17-18,33,
    37-38H,3-16,19-32,34-36,4
    1H2,1-2H3,(H,45,46)/b18-1
    7-/t37-,38-/m0/s1;
    YXDSQFSRKMJOST-GSXCXXIQSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P](O)(=O
    )OC[C@@H](N)C=O)OC(=O)CCCCCCC\C=C/CCCCCC
    CC; CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC
    C(C=O)N)OC(=O)CCCCCCCC=CCCCCCCCC; O=C(CC
    CCCCC[C@H]=[C@H]CCCCCCCC)OC(COC(=O)CCCCC
    CCCCCCCCCC)COP(O)(=O)OCC(N)C=O; CCCCCCCC
    CCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@H](C
    =O)N)OC(=O)CCCCCCC/C=C\CCCCCCCC; CCCCCCC
    CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N
    )C=O)OC(=O)CCCCCCCC=CCCCCCCCC    		 (19S,22S,25R)-25-amino-22-hydroxy-16,22,26-trioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate
    31843
    P51
    ZINC000098209287    		 2 C25 H31 I N2 O2 InChI=1S/C25H31IN2O2/c1-3
    -28(4-2)22-12-14-27(15-13
    -22)19-21-17-20(18-24(26)
    25(21)29)9-8-16-30-23-10-
    6-5-7-11-23/h5-7,10-11,17
    -18,22,29H,3-4,12-16,19H2
    ,1-2H3;
    QHQZDNCRBPFORJ-UHFFFAOYSA-N    		 CCN(CC)C1CCN(CC1)Cc2cc(cc(I)c2O)C#CCOc3c
    cccc3; CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C
    #CCOc3ccccc3; Ic2c(O)c(cc(C#CCOc1ccccc1)
    c2)CN3CCC(N(CC)CC)CC3    		 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-(3-phenoxyprop-1-yn-1-yl)phenol
    31844
    P52
    CHEMBL3416733
    ZINC000098209288    		 24 C27 H37 N4 O4 P InChI=1S/C27H37N4O4P/c1-1
    8(2)14-21(17-36(34,35)25(
    28)13-12-19-8-4-3-5-9-19)
    27(33)31-24(26(29)32)15-2
    0-16-30-23-11-7-6-10-22(2
    0)23/h3-11,16,18,21,24-25
    ,30H,12-15,17,28H2,1-2H3,
    (H2,29,32)(H,31,33)(H,34,
    35)/t21-,24+,25-/m1/s1;
    QKFOTLXPIIESQI-IEZKXTBUSA-N    		 CC(C)C[C@H](CP(=O)([C@H](CCc1ccccc1)N)O)
    C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N; O
    =P(O)(C(N)CCc1ccccc1)CC(C(=O)NC(C(=O)N)C
    c3c2ccccc2nc3)CC(C)C; CC(C)CC(CP(=O)(C(C
    Cc1ccccc1)N)O)C(=O)NC(Cc2c[nH]c3c2cccc3)
    C(=O)N; CC(C)C[C@H](C[P](O)(=O)[C@@H](N)
    CCc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c3ccccc2
    3)C(N)=O; CC(C)C[CH](C[P](O)(=O)[CH](N)C
    Cc1ccccc1)C(=O)N[CH](Cc2c[nH]c3ccccc23)C
    (N)=O    		 Nalpha-[(2S)-2-{[[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]methyl}-4-methylpentanoyl]-L-tryptophanamide
    31845
    P53
    ZINC000004097049    		 1 C13 H19 O10 P InChI=1S/C13H19O10P/c14-5
    -7-3-1-2-4-8(7)22-13-12(1
    7)11(16)10(15)9(23-13)6-2
    1-24(18,19)20/h1-4,9-17H,
    5-6H2,(H2,18,19,20)/t9-,1
    0-,11+,12-,13-/m1/s1;
    FSJKOMDYZYBBLV-UJPOAAIJSA-N    		 c1ccc(c(c1)CO)OC2C(C(C(C(O2)COP(=O)(O)O)
    O)O)O; c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@H]
    ([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O; OCc1
    ccccc1O[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[
    CH](O)[CH]2O; OCc1ccccc1O[C@@H]2O[C@H](C
    O[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]2O; O
    =P(O)(O)OCC2OC(Oc1c(cccc1)CO)C(O)C(O)C2O    		 2-(hydroxymethyl)phenyl 6-O-phosphono-beta-D-glucopyranoside;
    Salicin-6-phosphate;
    2-(hydroxymethyl)phenyl 6-O-phosphono-beta-D-glucoside;
    2-(hydroxymethyl)phenyl 6-O-phosphono-D-glucoside;
    2-(hydroxymethyl)phenyl 6-O-phosphono-glucoside
    31846
    P54
    CHEMBL4166329
    ZINC000103552638    		 3 C18 H19 N5 S InChI=1S/C18H19N5S/c1-4-5
    -6-9-23-11-20-16(19)15-17
    (23)22-18(21-15)24-14-8-7
    -12(2)10-13(14)3/h1,7-8,1
    0-11H,5-6,9,19H2,2-3H3;
    IIQUFGUOGYICIJ-UHFFFAOYSA-N    		 Cc1ccc(c(c1)C)Sc2nc-3c(ncn(c3n2)CCCC#C)N
    ; Cc1ccc(Sc2nc3n(CCCC#C)cnc(N)c3n2)c(C)c
    1; N1=C3C(N=C1Sc2ccc(cc2C)C)=C(N=CN3CCCC
    #C)N    		 8-[(2,4-dimethylphenyl)sulfanyl]-3-pent-4-yn-1-yl-3H-purin-6-amine
    31847
    P55
    CHEMBL230137
    DB08360
    ZINC000016052399    		 1 C18 H20 N8 InChI=1S/C18H20N8/c1-2-24
    -8-10-25(11-9-24)17-22-16
    -14(12-19)13-20-26(16)18(
    23-17)21-15-6-4-3-5-7-15/
    h3-7,13H,2,8-11H2,1H3,(H,
    21,22,23);
    BIFHJPUTQBOBGJ-UHFFFAOYSA-N    		 CCN1CCN(CC1)c2nc(Nc3ccccc3)n4ncc(C#N)c4n
    2; N#Cc1cnn2c(nc(nc12)N3CCN(CC)CC3)Nc4cc
    ccc4; CCN1CCN(CC1)c2nc3c(cnn3c(n2)Nc4ccc
    cc4)C#N    		 2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE
    31848
    P57    		 1 C18 H15 N3 InChI=1S/C18H15N3/c1-2-6-
    14(7-3-1)18-16(12-21-11-1
    0-19-13-21)15-8-4-5-9-17(
    15)20-18/h1-11,13,20H,12H
    2;
    RFRCCSUYEPHDFA-UHFFFAOYSA-N    		 c1cccc3c1c(Cn2cncc2)c(n3)c4ccccc4; C(n1c
    cnc1)c2c([nH]c3ccccc23)c4ccccc4; c1ccc(c
    c1)c2c(c3ccccc3[nH]2)Cn4ccnc4    		 3-[(1H-imidazol-1-yl)methyl]-2-phenyl-1H-indole
    31849
    P58
    CHEMBL2010499
    ZINC000001606737    		 1 C9 H11 N S2 InChI=1S/C9H11NS2/c1-10(9
    (11)12)7-8-5-3-2-4-6-8/h2
    -6H,7H2,1H3,(H,11,12);
    KVRJHAJGPHILSK-UHFFFAOYSA-N    		 S=C(S)N(C)Cc1ccccc1; CN(Cc1ccccc1)C(=S)S
    ; CN(Cc1ccccc1)C(S)=S    		 benzyl(methyl)carbamodithioic acid
    31850
    P59
    CHEMBL4092437
    ZINC000000104459    		 3 C20 H15 F N2 O InChI=1S/C20H15FN2O/c21-1
    7-12-6-4-10-15(17)19-22-1
    8-13-7-5-11-16(18)20(24)2
    3(19)14-8-2-1-3-9-14/h1-1
    3,19,22H/t19-/m1/s1;
    UMMDFHVNOCVOCD-LJQANCHMSA-N    		 c1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccccc4F; c
    1ccc(cc1)N2[C@@H](Nc3ccccc3C2=O)c4ccccc4
    F; Fc1ccccc1[CH]2Nc3ccccc3C(=O)N2c4ccccc
    4; Fc1ccccc1[C@@H]2Nc3ccccc3C(=O)N2c4ccc
    cc4    		 (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
    31851
    P5A
    CHEMBL1163086
    DB02510
    ZINC000013542769    		 7 C15 H21 N7 O7 S InChI=1S/C15H21N7O7S/c16-
    12-9-13(19-5-18-12)22(6-2
    0-9)15-11(24)10(23)8(29-1
    5)4-28-30(26,27)21-14(25)
    7-2-1-3-17-7/h5-8,10-11,1
    5,17,23-24H,1-4H2,(H,21,2
    5)(H2,16,18,19)/t7-,8+,10
    +,11+,15+/m0/s1;
    LKVJEMXWEODCAY-JVEUSOJLSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)
    NC(=O)[CH]4CCCN4)[CH](O)[CH]3O; Nc1ncnc2
    n(cnc12)[C@@H]3O[C@H](CO[S](=O)(=O)NC(=O
    )[C@@H]4CCCN4)[C@@H](O)[C@H]3O; O=C(NS(=
    O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C4
    NCCC4; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C
    @@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@@H]4CC
    CN4)O)O)N; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)
    COS(=O)(=O)NC(=O)C4CCCN4)O)O)N    		 '5'-O-(N-(L-PROLYL)-SULFAMOYL)ADENOSINE
    31852
    P5B
    DB04758
    ZINC000003989238    		 1 C26 H33 N7 O5 S InChI=1S/C26H33N7O5S/c1-2
    -39(37,38)33-22(13-18-15-
    30-20-6-4-3-5-19(18)20)26
    (36)32-21(11-12-23(27)34)
    25(35)31-14-16-7-9-17(10-
    8-16)24(28)29/h3-10,15,21
    -22,30,33H,2,11-14H2,1H3,
    (H2,27,34)(H3,28,29)(H,31
    ,35)(H,32,36)/t21-,22+/m0
    /s1;
    FJGWLOKDOKYXMU-FCHUYYIVSA-N    		 CC[S](=O)(=O)N[CH](Cc1c[nH]c2ccccc12)C(=
    O)N[CH](CCC(N)=O)C(=O)NCc3ccc(cc3)C(N)=N
    ; CC[S](=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)
    C(=O)N[C@@H](CCC(N)=O)C(=O)NCc3ccc(cc3)C
    (N)=N; O=C(NCc1ccc(C(=[N@H])N)cc1)C(NC(=
    O)C(NS(=O)(=O)CC)Cc3c2ccccc2nc3)CCC(=O)N
    ; CCS(=O)(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)N
    C(CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N; CCS(
    =O)(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)N[C
    @@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N    		 N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE;
    2-[2-ETHANESULFONYLAMINO-3-(1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIM IDOYL-BENZYLAMIDE)
    31853
    P5C
    CHEMBL1235110
    DB08361
    ZINC000003941369    		 1 C18 H24 N6 O InChI=1S/C18H24N6O/c1-11-
    5-4-6-12(9-11)22-17-13(16
    (20)25)10-21-18(24-17)23-
    15-8-3-2-7-14(15)19/h4-6,
    9-10,14-15H,2-3,7-8,19H2,
    1H3,(H2,20,25)(H2,21,22,2
    3,24)/t14-,15+/m0/s1;
    NZNTWOVDIXCHHS-LSDHHAIUSA-N    		 Cc1cccc(c1)Nc2c(cnc(n2)N[C@@H]3CCCC[C@@H
    ]3N)C(=O)N; Cc1cccc(c1)Nc2c(cnc(n2)NC3CC
    CCC3N)C(=O)N; Cc1cccc(Nc2nc(N[CH]3CCCC[C
    H]3N)ncc2C(N)=O)c1; Cc1cccc(Nc2nc(N[C@@H
    ]3CCCC[C@@H]3N)ncc2C(N)=O)c1; O=C(c1cnc(
    nc1Nc2cc(ccc2)C)NC3C(N)CCCC3)N    		 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide
    31854
    P5D
    ZINC000066167059    		 1 C13 H18 N O6 P InChI=1S/C13H18NO6P/c14-1
    1(6-9-4-2-1-3-5-9)21(19,2
    0)8-10(13(17)18)7-12(15)1
    6/h1-5,10-11H,6-8,14H2,(H
    ,15,16)(H,17,18)(H,19,20)
    /t10-,11+/m0/s1;
    HUMGCALEJILOSC-WDEREUQCSA-N    		 N[CH](Cc1ccccc1)[P](O)(=O)C[CH](CC(O)=O)
    C(O)=O; O=C(O)C(CC(=O)O)CP(=O)(O)C(N)Cc1
    ccccc1; c1ccc(cc1)CC(N)P(=O)(CC(CC(=O)O)
    C(=O)O)O; N[C@@H](Cc1ccccc1)[P](O)(=O)C[
    C@H](CC(O)=O)C(O)=O; c1ccc(cc1)C[C@H](N)
    P(=O)(C[C@H](CC(=O)O)C(=O)O)O    		 (2R)-2-{[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]methyl}butanedioic acid;
    L-PHE-D-ASP PHOSPHINATE PSEUDODIPEPTIDE
    31855
    P5E    		 2 C9 H15 N2 O14 P3 S InChI=1S/C9H15N2O14P3S/c1
    2-5-1-2-11(9(15)10-5)8-7(
    14)6(13)4(23-8)3-22-28(21
    ,29)25-27(19,20)24-26(16,
    17)18/h1-2,4,6-8,13-14H,3
    H2,(H,19,20)(H,21,29)(H,1
    0,12,15)(H2,16,17,18)/t4-
    ,6-,7-,8-,28+/m1/s1;
    BWPNYQWDXHLOGU-KWWYXVLOSA-N    		 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(OP(=
    O)(O)OP(=O)(O)O)S)O)O; C1=CN(C(=O)NC1=O)
    [C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)
    (OP(=O)(O)OP(=O)(O)O)S)O)O; O[C@H]1[C@@H
    ](O)[C@@H](O[C@@H]1CO[P@@](S)(=O)O[P](O)
    (=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O; O[CH]1
    [CH](O)[CH](O[CH]1CO[P](S)(=O)O[P](O)(=O
    )O[P](O)(O)=O)N2C=CC(=O)NC2=O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate
    31856
    P5F    		 8 C32 H40 N10 O17 P2 InChI=1S/C32H40N10O17P2/c
    1-14-6-16-17(7-15(14)2)41
    (29-23(30(50)39-32(51)38-
    29)40(16)5-3-4-34-8-21(45
    )46)9-18(43)24(47)19(44)1
    0-56-60(52,53)59-61(54,55
    )57-11-20-25(48)26(49)31(
    58-20)42-13-37-22-27(33)3
    5-12-36-28(22)42/h3-7,12-
    13,18-20,24-26,31,43-44,4
    7-49H,8-11H2,1-2H3,(H,45,
    46)(H,52,53)(H,54,55)(H2,
    33,35,36)(H2,38,39,50,51)
    /b5-3+,34-4?/t18-,19+,20+
    ,24-,25+,26+,31+/m0/s1;
    IRSTVKNHNHEQIM-RDJFLKOLSA-N    		 CC1=CC2=[N](C3=C(C(=O)NC(=O)N3)[N](=C2C=
    C1C)C=CC=NCC(=O)O)CC(C(C(COP(=O)(O)OP(=O
    )(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)
    O; CC1=CC2=[N](C3=C(C(=O)NC(=O)N3)[N](=C
    2C=C1C)C=CC=NCC(=O)O)C[C@@H]([C@@H]([C@@
    H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@
    H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O; C
    c1cc2c(cc1C)n(C=CC=NCC(O)=O)c3C(=O)NC(=O
    )Nc3n2C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)
    O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5
    cnc6c(N)ncnc56; Cc1cc2c(cc1C)n(\C=C\C=NC
    C(O)=O)c3C(=O)NC(=O)Nc3n2C[C@H](O)[C@H](
    O)[C@H](O)CO[P](O)(=O)O[P](O)(=O)OC[C@H]
    4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc5
    6    		 N-propargylglycine-modified flavin adenine dinucleotide
    31857
    P5G
    CHEMBL367448
    ZINC000005999108    		 1 C20 H24 O5 InChI=1S/C20H24O5/c1-23-1
    9-9-13(3-5-17(19)21)7-15-
    11-25-12-16(15)8-14-4-6-1
    8(22)20(10-14)24-2/h3-6,9
    -10,15-16,21-22H,7-8,11-1
    2H2,1-2H3/t15-,16-/m0/s1;
    ROGUIJKVZZROIQ-HOTGVXAUSA-N    		 COc1cc(ccc1O)C[C@H]2COC[C@@H]2Cc3ccc(c(c
    3)OC)O; c1(ccc(O)c(c1)OC)CC2COCC2Cc3cc(c
    (cc3)O)OC; COc1cc(C[CH]2COC[CH]2Cc3ccc(O
    )c(OC)c3)ccc1O; COc1cc(ccc1O)CC2COCC2Cc3
    ccc(c(c3)OC)O; COc1cc(C[C@H]2COC[C@@H]2C
    c3ccc(O)c(OC)c3)ccc1O    		 4,4'-[(3R,4R)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol)
    31858
    P5H    		 2 C10 H15 N3 O4 S InChI=1S/C10H15N3O4S/c1-7
    -3-4-8(10(15)13-7)9(14)11
    -5-6-12-18(2,16)17/h3-4,8
    ,12H,5-6H2,1-2H3,(H,11,14
    )/t8-/m0/s1;
    GMIZUAADSVWSGE-QMMMGPOBSA-N    		 CC1=NC(=O)[CH](C=C1)C(=O)NCCN[S](C)(=O)=
    O; CC1=NC(=O)C(C=C1)C(=O)NCCNS(=O)(=O)C;
    CC1=NC(=O)[C@@H](C=C1)C(=O)NCCN[S](C)(=
    O)=O    		 6-methyl-~{N}-[2-(methylsulfonylamino)ethyl]-2-oxidanylidene-3~{H}-pyridine-3-carboxamide
    31859
    P5I    		 1 C17 H12 Cl N3 O5 InChI=1S/C17H12ClN3O5/c18
    -11-3-1-2-9(4-11)12-6-14(
    26-21-12)10-5-13(22)16(19
    -7-10)17(25)20-8-15(23)24
    /h1-7,22H,8H2,(H,20,25)(H
    ,23,24);
    LXJZOEXMNSUCFH-UHFFFAOYSA-N    		 OC(=O)CNC(=O)c1ncc(cc1O)c2onc(c2)c3cccc(
    Cl)c3; c1cc(cc(c1)Cl)c2cc(on2)c3cc(c(nc3
    )C(=O)NCC(=O)O)O    		 2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid;
    (5-(3-(3-chlorophenyl)isoxazol-5-yl)-3-hydroxypicolinoyl)glycine
    31860
    P5J
    CHEMBL4452905    		 2 C27 H22 N6 O InChI=1S/C27H22N6O/c1-17-
    28-14-20(15-29-17)23-10-1
    1-33-25(31-23)21(16-30-33
    )19-8-9-24-22(12-19)27(2,
    26(34)32-24)13-18-6-4-3-5
    -7-18/h3-12,14-16H,13H2,1
    -2H3,(H,32,34)/t27-/m0/s1;
    KQGDDLRQLMABOG-MHZLTWQESA-N    		 Cc1ncc(cn1)c2ccn3ncc(c4ccc5NC(=O)[C@@](C
    )(Cc6ccccc6)c5c4)c3n2; Cc1ncc(cn1)c2ccn3
    c(n2)c(cn3)c4ccc5c(c4)C(C(=O)N5)(C)Cc6cc
    ccc6; Cc1ncc(cn1)c2ccn3ncc(c4ccc5NC(=O)[
    C](C)(Cc6ccccc6)c5c4)c3n2; c1(nc2c(cnn2c
    c1)c3ccc4NC(C(C)(c4c3)Cc5ccccc5)=O)c6cnc
    (nc6)C; Cc1ncc(cn1)c2ccn3c(n2)c(cn3)c4cc
    c5c(c4)[C@](C(=O)N5)(C)Cc6ccccc6    		 (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one
    31861
    P5K
    CHEMBL1929195
    ZINC000035974657    		 1 C24 H27 N3 O4 S2 InChI=1S/C24H27N3O4S2/c1-
    24(2,3)20-15-18(22(28)27-
    11-13-33(30,31)14-12-27)2
    1(32-20)26-23(29)25-19-10
    -6-8-16-7-4-5-9-17(16)19/
    h4-10,15H,11-14H2,1-3H3,(
    H2,25,26,29);
    MGCVZCZJPOZRQX-UHFFFAOYSA-N    		 CC(C)(C)c1sc(NC(=O)Nc2cccc3ccccc23)c(c1)
    C(=O)N4CC[S](=O)(=O)CC4; CC(C)(C)c1cc(c(
    s1)NC(=O)Nc2cccc3c2cccc3)C(=O)N4CCS(=O)(
    =O)CC4; O=C(Nc2sc(cc2C(=O)N1CCS(=O)(=O)C
    C1)C(C)(C)C)Nc4c3ccccc3ccc4    		 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea
    31862
    P5L    		 2 C37 H60 N4 O14 InChI=1S/C37H60N4O14/c1-2
    -3-4-5-6-7-8-9-10-11-12-1
    3-14-15-25(44)53-31-21-19
    -40(20-22(31)42)26(35(49)
    50)32(55-36-30(48)27(45)2
    3(52-36)18-38-21)33-28(46
    )29(47)34(54-33)41-17-16-
    24(43)39-37(41)51/h16-17,
    21-23,26-34,36,38,42,45-4
    8H,2-15,18-20H2,1H3,(H,49
    ,50)(H,39,43,51)/t21-,22-
    ,23+,26-,27+,28-,29+,30+,
    31+,32-,33-,34+,36-/m0/s1;
    COFIPAYOUOZUCF-CYMFUPBNSA-N    		 CCCCCCCCCCCCCCCC(=O)OC1C2CN(CC1O)C(C(OC3
    C(C(C(O3)CN2)O)O)C4C(C(C(O4)N5C=CC(=O)NC
    5=O)O)O)C(=O)O; CCCCCCCCCCCCCCCC(=O)O[C@
    H]1[C@@H](O)C[N@@]2C[C@@H]1NC[C@H]3O[C@@
    H](O[C@H]([C@H]4O[C@H]([C@H](O)[C@@H]4O)
    N5C=CC(=O)NC5=O)[C@H]2C(O)=O)[C@H](O)[C@
    @H]3O; CCCCCCCCCCCCCCCC(=O)O[CH]1[CH](O)
    C[N]2C[CH]1NC[CH]3O[CH](O[CH]([CH]4O[CH]
    ([CH](O)[CH]4O)N5C=CC(=O)NC5=O)[CH]2C(O)
    =O)[CH](O)[CH]3O; CCCCCCCCCCCCCCCC(=O)O[
    C@@H]1[C@@H]2C[N@@](C[C@@H]1O)[C@@H]([C@
    H](O[C@H]3[C@@H]([C@@H]([C@H](O3)CN2)O)O
    )[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)
    NC5=O)O)O)C(=O)O; O=C1C=CN(C(=O)N1)C1OC(
    C2OC3OC(CNC4CN(CC(O)C4OC(=O)CCCCCCCCCCCC
    CCC)C2C(=O)O)C(O)C3O)C(O)C1O    		 (1S,4R,5S,6R,7S,9S,10S,11S,13S,14R)-9-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]-14-(hexadecanoyloxy)-5,6,13-trihydroxy-8,16-dioxa-2,11-diazatricyclo[9.3.1.1~4,7~]hexadecane-10-carboxylic acid;
    sphaerimicin analogue
    31863
    P5M
    CHEMBL1275624
    ZINC000003954302    		 1 C16 H13 O7 InChI=1S/C16H12O7/c1-22-1
    4-3-7(2-11(19)15(14)21)16
    -12(20)6-9-10(18)4-8(17)5
    -13(9)23-16/h2-6H,1H3,(H4
    -,17,18,19,20,21)/p+1;
    AFOLOMGWVXKIQL-UHFFFAOYSA-O    		 COc1cc(cc(c1O)O)c2c(cc3c(cc(cc3[o+]2)O)O
    )O; COc1cc(cc(O)c1O)c2[o+]c3cc(O)cc(O)c3
    cc2O; Oc1cc(cc(OC)c1O)c3[o+]c2cc(O)cc(O)
    c2cc3O    		 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium;
    Petunidin
    31864
    P5N
    CHEMBL5082890
    ZINC000000158890    		 2 C10 H8 N2 O InChI=1S/C10H8N2O/c13-7-9
    -1-3-10(4-2-9)12-6-5-11-8
    -12/h1-8H;
    DCICUQFMCRPKHZ-UHFFFAOYSA-N    		 c1cc(ccc1C=O)n2ccnc2; O=Cc1ccc(cc1)n2ccn
    c2    		 1-(4-methylphenyl)imidazole
    31865
    P5O
    CHEMBL110370
    ZINC000013541228    		 3 C15 H14 O4 InChI=1S/C15H14O4/c1-19-1
    5-8-10(4-5-14(15)18)2-3-1
    1-6-12(16)9-13(17)7-11/h2
    -9,16-18H,1H3/b3-2+;
    ANNNBEZJTNCXHY-NSCUHMNNSA-N    		 COc1cc(ccc1O)/C=C/c2cc(cc(c2)O)O; COc1cc
    (ccc1O)C=Cc2cc(cc(c2)O)O; COc1cc(ccc1O)/
    C=C/c2cc(O)cc(O)c2; COc1cc(ccc1O)C=Cc2cc
    (O)cc(O)c2    		 5-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]benzene-1,3-diol
    31866
    P5P
    CHEMBL96862
    DB03726
    ZINC000015614364    		 1 C10 H13 N4 O7 P InChI=1S/C10H13N4O7P/c15-
    7-6(2-20-22(17,18)19)21-1
    0(8(7)16)14-4-13-5-1-11-3
    -12-9(5)14/h1,3-4,6-8,10,
    15-16H,2H2,(H2,17,18,19)/
    t6-,7-,8-,10-/m1/s1;
    MCWDCZIDTUQRHK-FDDDBJFASA-N    		 c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@
    H](O3)COP(=O)(O)O)O)O; O[CH]1[CH](O)[CH]
    (O[CH]1CO[P](O)(O)=O)n2cnc3cncnc23; c1c2
    c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O;
    O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)
    (O)=O)n2cnc3cncnc23; O=P(O)(O)OCC3OC(n2c
    nc1cncnc12)C(O)C3O    		 PURINE RIBOSIDE-5'-MONOPHOSPHATE
    31867
    P5Q    		 1 C9 H9 N3 InChI=1S/C9H9N3/c1-8-2-4-
    9(5-3-8)12-7-10-6-11-12/h
    2-7H,1H3;
    NXIAVERGTMRISY-UHFFFAOYSA-N    		 Cc1ccc(cc1)n2cncn2 1-(4-methylphenyl)-1,2,4-triazole
    31868
    P5R    		 0 C34 H70 O18 InChI=1S/C34H70O18/c35-1-
    3-37-5-7-39-9-11-41-13-15
    -43-17-19-45-21-23-47-25-
    27-49-29-31-51-33-34-52-3
    2-30-50-28-26-48-24-22-46
    -20-18-44-16-14-42-12-10-
    40-8-6-38-4-2-36/h35-36H,
    1-34H2;
    NIELXDCPHZJHGM-UHFFFAOYSA-N    		 C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
    CCOCCOCCOCCO)O; OCCOCCOCCOCCOCCOCCOCCOCC
    OCCOCCOCCOCCOCCOCCOCCOCCOCCO    		 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
    31869
    P5S
    CHEMBL4297669
    DB00144
    ZINC000085588270    		 183 C42 H82 N O10 P InChI=1S/C42H82NO10P/c1-3
    -5-7-9-11-13-15-17-19-21-
    23-25-27-29-31-33-40(44)5
    0-35-38(36-51-54(48,49)52
    -37-39(43)42(46)47)53-41(
    45)34-32-30-28-26-24-22-2
    0-18-16-14-12-10-8-6-4-2/
    h38-39H,3-37,43H2,1-2H3,(
    H,46,47)(H,48,49)/t38-,39
    +/m1/s1;
    TZCPCKNHXULUIY-RGULYWFUSA-N    		 CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O
    )OC[CH](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC
    ; CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)
    (=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCC
    CCCC; O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(
    =O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC;
    CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(
    C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC; CCCCCC
    CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@
    H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC    		 O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine;
    phosphatidyl serine
    31870
    P5T    		 1 C5 H8 B9 N O2 S InChI=1S/C5H8B9NO2S/c15-1
    8(16,17)3-1-2-5-6-4-7-8(5
    )12(5)11(5,6)9(4,6)10(4,7
    )13(7,8,12)14(9,10,11)12/
    h1-3H2,(H2,15,16,17);
    JYHLIKURGVWBQK-UHFFFAOYSA-N    		 N[S](=O)(=O)CCC[C+]123[B]45[B-]67[C]89[B
    ]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[
    B]3%10%11[B]%12%13%14%15; N[S](=O)(=O)CC
    C[C+]123[B]45[B-]67[C@@]89[B]1%10[B]8%11
    %12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]
    %12%13%14%15; B123B45B167B289B612B744B11
    6B282[C@@]93B21C465CCCS(=O)(=O)N; B123B4
    5B167B289B612B744B116B282C93B21C465CCCS(
    =O)(=O)N    		 Meta-Nidocarborane propyl-sulfonamide
    31871
    P5U    		 0 C10 H10 N2 O5 S InChI=1S/C10H10N2O5S/c11-
    5-7-1-3-8(4-2-7)18(15,16)
    17-6-9(12)10(13)14/h1-4,9
    H,6,12H2,(H,13,14)/t9-/m0
    /s1;
    BGAKRHOBIFFXJD-VIFPVBQESA-N    		 N[C@@H](CO[S](=O)(=O)c1ccc(cc1)C#N)C(O)=
    O; c1cc(ccc1C#N)S(=O)(=O)OCC(C(=O)O)N; N
    C(C(=O)O)COS(c1ccc(cc1)C#N)(=O)=O; N[CH]
    (CO[S](=O)(=O)c1ccc(cc1)C#N)C(O)=O; c1cc
    (ccc1C#N)S(=O)(=O)OC[C@@H](C(=O)O)N    		 O-[(4-cyanophenyl)sulfonyl]-L-serine
    31872
    P5V
    CHEMBL4524356    		 1 C23 H20 N4 O2 InChI=1S/C23H20N4O2/c28-2
    1(14-2-3-14)27-11-1-8-23(
    27)17-12-15(4-6-18(17)26-
    22(23)29)16-5-7-19-20(13-
    16)25-10-9-24-19/h4-7,9-1
    0,12-14H,1-3,8,11H2,(H,26
    ,29)/t23-/m0/s1;
    PXPGVPPGCPSCSN-QHCPKHFHSA-N    		 O=C1Nc2ccc(cc2[C@@]13CCCN3C(=O)C4CC4)c5c
    cc6nccnc6c5; c1cc2c(cc1c3ccc4c(c3)C5(CCC
    N5C(=O)C6CC6)C(=O)N4)nccn2; C2(=O)Nc1ccc
    (cc1C24CCCN4C(=O)C3CC3)c5cc6c(cc5)nccn6;
    c1cc2c(cc1c3ccc4c(c3)[C@@]5(CCCN5C(=O)C
    6CC6)C(=O)N4)nccn2; O=C1Nc2ccc(cc2[C]13C
    CCN3C(=O)C4CC4)c5ccc6nccnc6c5    		 (3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one
    31873
    P5W
    CHEMBL1621959
    ZINC000000446531    		 1 C16 H12 N2 O2 S InChI=1S/C16H12N2O2S/c19-
    15(20)12-6-8-13(9-7-12)17
    -16-18-14(10-21-16)11-4-2
    -1-3-5-11/h1-10H,(H,17,18
    )(H,19,20);
    UGLHSEDBIJMFOC-UHFFFAOYSA-N    		 OC(=O)c1ccc(Nc2scc(n2)c3ccccc3)cc1; c1cc
    c(cc1)c2csc(n2)Nc3ccc(cc3)C(=O)O    		 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
    31874
    P5X    		 4 C24 H22 Cl N3 O S InChI=1S/C24H22ClN3OS/c1-
    27(2)20-7-9-21(10-8-20)28
    (15-22-12-19(25)16-30-22)
    24(29)11-18-14-26-13-17-5
    -3-4-6-23(17)18/h3-10,12-
    14,16H,11,15H2,1-2H3;
    VADPVOZBGIXSAG-UHFFFAOYSA-N    		 CN(C)c1ccc(cc1)N(Cc2cc(cs2)Cl)C(=O)Cc3cn
    cc4c3cccc4; CN(C)c1ccc(cc1)N(Cc2scc(Cl)c
    2)C(=O)Cc3cncc4ccccc34; Clc1cc(CN(C(=O)C
    c2cncc3ccccc32)c2ccc(cc2)N(C)C)sc1    		 N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide
    31875
    P5Y
    CHEMBL4800426    		 2 C25 H21 F3 N6 O3 InChI=1S/C25H21F3N6O3/c26
    -25(27,28)21-9-5-4-8-20(2
    1)24(36)33(14-18-10-12-19
    (13-11-18)23(35)30-37)16-
    22-29-31-32-34(22)15-17-6
    -2-1-3-7-17/h1-13,37H,14-
    16H2,(H,30,35);
    MEWDNULKAXEKII-UHFFFAOYSA-N    		 c1ccc(cc1)Cn2c(nnn2)CN(Cc3ccc(cc3)C(=O)N
    O)C(=O)c4ccccc4C(F)(F)F; ONC(=O)c1ccc(CN
    (Cc2nnnn2Cc3ccccc3)C(=O)c4ccccc4C(F)(F)F
    )cc1; c1(nnnn1Cc2ccccc2)CN(C(=O)c3c(cccc
    3)C(F)(F)F)Cc4ccc(C(=O)NO)cc4    		 N-[(1-benzyl-1H-tetrazol-5-yl)methyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide
    31876
    P5Z    		 1 C17 H11 Cl2 N O3 InChI=1S/C17H11Cl2NO3/c1-
    9-15(17(21)22)16(23-14-5-
    3-2-4-12(14)19)11-8-10(18
    )6-7-13(11)20-9/h2-8H,1H3
    ,(H,21,22);
    ABPWAZGWFVYLDD-UHFFFAOYSA-N    		 Cc1nc2ccc(Cl)cc2c(Oc3ccccc3Cl)c1C(O)=O;
    Clc1ccccc1Oc1c2cc(Cl)ccc2nc(C)c1C(=O)O;
    Cc1c(c(c2cc(ccc2n1)Cl)Oc3ccccc3Cl)C(=O)O    		 6-chloro-4-(2-chlorophenoxy)-2-methylquinoline-3-carboxylic acid
    31877
    P60
    ZINC000016159701    		 1 C10 H6 F N O3 InChI=1S/C10H6FNO3/c11-7-
    4-2-1-3-6(7)9-8(10(13)14)
    12-5-15-9/h1-5H,(H,13,14);
    COYYCXFHTJQGGF-UHFFFAOYSA-N    		 c1ccc(c(c1)c2c(nco2)C(=O)O)F; OC(=O)c1nc
    oc1c2ccccc2F; c1cc(c(cc1)F)c2c(C(O)=O)nc
    o2    		 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid
    31878
    P61
    ZINC000098209289    		 8 C17 H18 F N2 O8 P InChI=1S/C17H18FN2O8P/c1-
    9-16(22)12(11(6-19-9)8-28
    -29(25,26)27)7-20-14(17(2
    3)24)5-10-2-3-15(21)13(18
    )4-10/h2-4,6-7,19,21-22H,
    5,8H2,1H3,(H,23,24)(H2,25
    ,26,27)/b12-7-,20-14+;
    AWZHPOMIAYWMIB-ALAGMBGBSA-N    		 CC1=C(/C(=C\N=C(/Cc2ccc(c(c2)F)O)\C(=O)O
    )/C(=CN1)COP(=O)(O)O)O; Fc1c(O)ccc(c1)CC
    (=N/C=C2\C(O)=C(NC=C2COP(=O)(O)O)C)\C(=O
    )O; CC1=C(C(=CN=C(Cc2ccc(c(c2)F)O)C(=O)O
    )C(=CN1)COP(=O)(O)O)O; CC1=C(O)\C(=C/N=C
    (Cc2ccc(O)c(F)c2)C(O)=O)C(=CN1)CO[P](O)(
    O)=O; CC1=C(O)C(=CN=C(Cc2ccc(O)c(F)c2)C(
    O)=O)C(=CN1)CO[P](O)(O)=O    		 (2E)-3-(3-fluoro-4-hydroxyphenyl)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}propanoic acid
    31879
    P62    		 1 C16 H21 Cl N4 O S InChI=1S/C16H21ClN4OS/c1-
    21(2)8-7-18-10-14-13(15(2
    2)20-16(23)19-14)9-11-3-5
    -12(17)6-4-11/h3-6,18H,7-
    10H2,1-2H3,(H2,19,20,22,2
    3);
    BODROOXVZKSZLI-UHFFFAOYSA-N    		 CN(C)CCNCC1=C(Cc2ccc(Cl)cc2)C(=NC(=S)N1)
    O; CN(C)CCNCC1=C(C(=NC(=S)N1)O)Cc2ccc(cc
    2)Cl    		 5-[(4-chlorophenyl)methyl]-6-[[2-(dimethylamino)ethylamino]methyl]-4-oxidanyl-1~{H}-pyrimidine-2-thione
    31880
    P63
    CHEMBL230354
    DB08362
    ZINC000016052402    		 1 C20 H16 N8 O InChI=1S/C20H16N8O/c1-13(
    29)23-16-8-5-9-17(10-16)2
    4-19-26-18-14(11-21)12-22
    -28(18)20(27-19)25-15-6-3
    -2-4-7-15/h2-10,12H,1H3,(
    H,23,29)(H2,24,25,26,27);
    QVKXQLGRDOMAGC-UHFFFAOYSA-N    		 CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n4ncc(C#N)
    c4n2)c1; O=C(Nc1cc(ccc1)Nc3nc2c(C#N)cnn2
    c(n3)Nc4ccccc4)C; CC(=O)Nc1cccc(c1)Nc2nc
    3c(cnn3c(n2)Nc4ccccc4)C#N    		 N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE
    31881
    P64
    CHEMBL4100356    		 6 C20 H24 N4 InChI=1S/C20H24N4/c1-24(2
    )18-8-4-15(5-9-18)11-12-2
    2-14-16-3-6-17-7-10-20(21
    )23-19(17)13-16/h3-10,13,
    22H,11-12,14H2,1-2H3,(H2,
    21,23);
    SYHMYZCWRIEYOI-UHFFFAOYSA-N    		 CN(C)c1ccc(cc1)CCNCc2ccc3ccc(nc3c2)N; CN
    (c1ccc(cc1)CCNCc2cc3c(cc2)ccc(N)n3)C; CN
    (C)c1ccc(CCNCc2ccc3ccc(N)nc3c2)cc1    		 7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine
    31882
    P65
    CHEMBL3819601
    ZINC000095921379    		 3 C14 H15 Cl3 N4 O2 InChI=1S/C14H15Cl3N4O2/c1
    -7-12(13(18)21-14(19)20-7
    )23-4-2-3-22-11-6-9(16)8(
    15)5-10(11)17/h5-6H,2-4H2
    ,1H3,(H4,18,19,20,21);
    KNUBCZHIBGZRJT-UHFFFAOYSA-N    		 Cc1c(c(nc(n1)N)N)OCCCOc2cc(c(cc2Cl)Cl)Cl
    ; Cc1nc(N)nc(N)c1OCCCOc2cc(Cl)c(Cl)cc2Cl    		 2,4-diamino-6-methyl-5-[3-(2,4,5-trichlorophenoxy)propyloxy]pyrimidine
    31883
    P66
    CHEMBL1082158    		 1 C21 H15 Cl F2 N6 O InChI=1S/C21H15ClF2N6O/c2
    2-14-7-4-11(21(31)27-12-5
    -6-12)8-17(14)28-20-13-9-
    26-30(18(13)10-25-29-20)1
    9-15(23)2-1-3-16(19)24/h1
    -4,7-10,12H,5-6H2,(H,27,3
    1)(H,28,29);
    ZWVCUFJZBBAOFI-UHFFFAOYSA-N    		 Fc1cccc(F)c1n2ncc3c(Nc4cc(ccc4Cl)C(=O)NC
    5CC5)nncc23; O=C(NC1CC1)c2cc(c(Cl)cc2)Nc
    3nncc4c3cnn4c5c(F)cccc5F; c1cc(c(c(c1)F)
    n2c3cnnc(c3cn2)Nc4cc(ccc4Cl)C(=O)NC5CC5)
    F    		 4-chloro-N-cyclopropyl-3-{[1-(2,6-difluorophenyl)-1H-pyrazolo[3,4-d]pyridazin-4-yl]amino}benzamide
    31884
    P68
    CHEMBL3329562
    ZINC000095920528    		 15 C18 H20 Br N3 O2 InChI=1S/C18H20BrN3O2/c1-
    12(22-24)13-5-4-6-14(11-1
    3)18(2,3)21-17(23)20-16-9
    -7-15(19)8-10-16/h4-11,24
    H,1-3H3,(H2,20,21,23)/b22
    -12+;
    DSTKQECXQMKQLN-WSDLNYQXSA-N    		 Brc2ccc(NC(=O)NC(c1cccc(\C(=N\O)C)c1)(C)
    C)cc2; C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)
    Nc2ccc(cc2)Br; CC(=N\O)/c1cccc(c1)C(C)(C
    )NC(=O)Nc2ccc(Br)cc2; CC(=NO)c1cccc(c1)C
    (C)(C)NC(=O)Nc2ccc(cc2)Br; CC(=NO)c1cccc
    (c1)C(C)(C)NC(=O)Nc2ccc(Br)cc2    		 1-(4-bromophenyl)-3-(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)urea
    31885
    P69
    CHEMBL4063020
    ZINC000000104456    		 1 C20 H15 F N2 O InChI=1S/C20H15FN2O/c21-1
    7-12-6-4-10-15(17)19-22-1
    8-13-7-5-11-16(18)20(24)2
    3(19)14-8-2-1-3-9-14/h1-1
    3,19,22H/t19-/m0/s1;
    UMMDFHVNOCVOCD-IBGZPJMESA-N    		 c1ccc(cc1)N2C(Nc3ccccc3C2=O)c4ccccc4F; F
    c1ccccc1[C@H]2Nc3ccccc3C(=O)N2c4ccccc4;
    c1ccc(cc1)N2[C@H](Nc3ccccc3C2=O)c4ccccc4
    F; Fc1ccccc1[CH]2Nc3ccccc3C(=O)N2c4ccccc
    4    		 (2S)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
    31886
    P6A
    CHEMBL363228
    ZINC000013583263    		 2 C14 H10 Cl N O2 InChI=1S/C14H10ClNO2/c1-9
    -13(10-5-3-2-4-6-10)14(16
    -18-9)11-7-8-12(15)17-11/
    h2-8H,1H3;
    IPAVFMUBTIUYBW-UHFFFAOYSA-N    		 Cc1c(c(no1)c2ccc(o2)Cl)c3ccccc3; Cc1onc(
    c2oc(Cl)cc2)c1c3ccccc3; Cc2c(c(c1oc(cc1)
    Cl)no2)c3ccccc3    		 3-(5-chlorofuran-2-yl)-5-methyl-4-phenyl-1,2-oxazole
    31887
    P6B
    ZINC000061708856    		 1 C13 H15 N3 O2 InChI=1S/C13H15N3O2/c17-1
    1-6-7-16(8-11)9-12-14-13(
    15-18-12)10-4-2-1-3-5-10/
    h1-5,11,17H,6-9H2/t11-/m0
    /s1;
    FQHRNVUXCKTULP-NSHDSACASA-N    		 c1ccc(cc1)c2nc(on2)CN3CCC(C3)O; O[CH]1CC
    N(C1)Cc2onc(n2)c3ccccc3; O[C@H]1CCN(C1)C
    c2onc(n2)c3ccccc3; C3CN(Cc1onc(n1)c2cccc
    c2)CC3O; c1ccc(cc1)c2nc(on2)CN3CC[C@@H](
    C3)O    		 (3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
    31888
    P6C
    ZINC000005963371    		 2 C10 H11 N5 O2 InChI=1S/C10H11N5O2/c1-4(
    2)6-7-8(15-10(11)14-6)12-
    3-5(13-7)9(16)17/h3-4H,1-
    2H3,(H,16,17)(H2,11,12,14
    ,15);
    GPHPGFBRJYCUDO-UHFFFAOYSA-N    		 O=C(O)c1nc2c(nc1)nc(nc2C(C)C)N; CC(C)c1n
    c(N)nc2ncc(nc12)C(O)=O; CC(C)c1c2c(ncc(n
    2)C(=O)O)nc(n1)N    		 2-AMINO-4-ISOPROPYL-PTERIDINE-6-CARBOXYLIC ACID
    31889
    P6D    		 3 C9 H13 N6 O4 InChI=1S/C9H13N6O4/c10-5-
    1-2-15(9(18)12-5)8-6(13-1
    4-11)7(17)4(3-16)19-8/h1-
    2,4,6-8,11,16-17H,3H2,(H2
    ,10,12,18)/t4-,6-,7-,8-/m
    1/s1;
    SXKUZFQHWHCRFO-XVFCMESISA-N    		 C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)N=[N+]=
    [NH-]; NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[C
    H](O)[CH]2N=[N+]=[NH-]; C1=CN(C(=O)N=C1N
    )[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+
    ]=[NH-]; NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](
    CO)[C@@H](O)[C@H]2N=[N+]=[NH-]    		 2'-azidocytidine
    31890
    P6E
    CHEMBL4521594    		 3 C20 H17 Cl N2 O4 S InChI=1S/C20H17ClN2O4S/c2
    1-15-7-4-8-17(12-15)27-18
    -10-9-16(13-19(18)28(22,2
    5)26)23-20(24)11-14-5-2-1
    -3-6-14/h1-10,12-13H,11H2
    ,(H,23,24)(H2,22,25,26);
    CSJYMAFXYMYNCK-UHFFFAOYSA-N    		 N[S](=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc3
    cccc(Cl)c3; c1ccc(cc1)CC(=O)Nc2ccc(c(c2)
    S(=O)(=O)N)Oc3cccc(c3)Cl    		 N-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-ethanamide
    31891
    P6F
    CHEMBL1235112
    DB13863
    ZINC000004523259    		 11 C6 H14 O12 P2 InChI=1S/C6H14O12P2/c7-3(
    1-17-19(11,12)13)5(9)6(10
    )4(8)2-18-20(14,15)16/h3,
    5-7,9-10H,1-2H2,(H2,11,12
    ,13)(H2,14,15,16)/t3-,5-,
    6-/m1/s1;
    XPYBSIWDXQFNMH-UYFOZJQFSA-N    		 C(C(C(C(C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)
    O; C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O
    )O)O)O)OP(=O)(O)O; O=P(O)(O)OCC(=O)C(O)C
    (O)C(O)COP(=O)(O)O; O[CH](CO[P](O)(O)=O)
    [CH](O)[CH](O)C(=O)CO[P](O)(O)=O; O[C@H]
    (CO[P](O)(O)=O)[C@@H](O)[C@H](O)C(=O)CO[
    P](O)(O)=O    		 1,6-di-O-phosphono-D-fructose
    31892
    P6G
    CHEMBL1235082
    ZINC000004521548    		 1 C12 H26 O7 InChI=1S/C12H26O7/c13-1-3
    -15-5-7-17-9-11-19-12-10-
    18-8-6-16-4-2-14/h13-14H,
    1-12H2;
    IIRDTKBZINWQAW-UHFFFAOYSA-N    		 O(CCO)CCOCCOCCOCCOCCO; OCCOCCOCCOCCOCCOC
    CO; C(COCCOCCOCCOCCOCCO)O    		 HEXAETHYLENE GLYCOL;
    POLYETHYLENE GLYCOL PEG400
    31893
    P6H
    ZINC000090728171    		 1 C8 H10 O3 S InChI=1S/C8H10O3S/c1-12(1
    0,11)8-5-3-2-4-7(8)6-9/h2
    -5,9H,6H2,1H3;
    RKXFAGRISWUJGO-UHFFFAOYSA-N    		 CS(=O)(=O)c1ccccc1CO; C[S](=O)(=O)c1cccc
    c1CO    		 (2-methylsulfonylphenyl)methanol
    31894
    P6I    		 4 C23 H19 Cl N2 O S2 InChI=1S/C23H19ClN2OS2/c1
    -28-20-8-6-19(7-9-20)26(1
    4-21-11-18(24)15-29-21)23
    (27)10-17-13-25-12-16-4-2
    -3-5-22(16)17/h2-9,11-13,
    15H,10,14H2,1H3;
    CEQRNFLEHMXIOS-UHFFFAOYSA-N    		 CSc1ccc(cc1)N(Cc2scc(Cl)c2)C(=O)Cc3cncc4
    ccccc34; CSc1ccc(cc1)N(Cc2cc(cs2)Cl)C(=O
    )Cc3cncc4c3cccc4; Clc1cc(CN(C(=O)Cc2cncc
    3ccccc32)c2ccc(SC)cc2)sc1    		 N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide
    31895
    P6J
    CHEMBL4560579    		 1 C22 H21 F2 N5 O3 S InChI=1S/C22H21F2N5O3S/c1
    -4-5-32-17-10-26-15(9-27-
    17)19(30)28-12-6-13(18(24
    )14(23)7-12)21(2)16-8-22(
    16,11-31-3)33-20(25)29-21
    /h1,6-7,9-10,16H,5,8,11H2
    ,2-3H3,(H2,25,29)(H,28,30
    )/t16-,21+,22+/m0/s1;
    IPUJINDWAGRAHN-KNXBSLHKSA-N    		 COC[C]12C[CH]1[C](C)(N=C(N)S2)c3cc(NC(=O
    )c4cnc(OCC#C)cn4)cc(F)c3F; CC1(C2CC2(SC(
    =N1)N)COC)c3cc(cc(c3F)F)NC(=O)c4cnc(cn4)
    OCC#C; COCC12C(C1)C(N=C(S2)N)(C)c3c(F)c(
    F)cc(c3)NC(=O)c4cnc(cn4)OCC#C; C[C@]1([C
    @@H]2C[C@@]2(SC(=N1)N)COC)c3cc(cc(c3F)F)
    NC(=O)c4cnc(cn4)OCC#C; COC[C@]12C[C@H]1[
    C@](C)(N=C(N)S2)c3cc(NC(=O)c4cnc(OCC#C)c
    n4)cc(F)c3F    		 N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide
    31896
    P6L
    ZINC000098209291    		 21 C40 H75 O10 P InChI=1S/C40H75O10P/c1-3-
    5-7-9-11-13-15-17-18-20-2
    1-23-25-27-29-31-39(43)47
    -35-38(36-49-51(45,46)48-
    34-37(42)33-41)50-40(44)3
    2-30-28-26-24-22-19-16-14
    -12-10-8-6-4-2/h18,20,22,
    24,37-38,41-42H,3-17,19,2
    1,23,25-36H2,1-2H3,(H,45,
    46)/b20-18+,24-22-/t37-,3
    8+/m1/s1;
    WLVNRDXLPAAELE-GDRYEXQRSA-N    		 CCCCCCCCCC=CCCCCCCC(=O)OCC(COP(=O)(O)OCC
    (CO)O)OC(=O)CCCCC=CCCCCCCCCC; CCCCCCCCC/
    C=C/CCCCCCC(=O)OC[C@@H](CO[P@@](O)(=O)OC
    [C@H](O)CO)OC(=O)CCCC\C=C/CCCCCCCCC; O=C
    (OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCC/C=C
    /CCCCCCCCC)CCCC\C=C/CCCCCCCCC; CCCCCCCCC
    C=CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OC[C
    @@H](CO)O)OC(=O)CCCCC=CCCCCCCCCC; CCCCCC
    CCCC=CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[C
    H](O)CO)OC(=O)CCCCC=CCCCCCCCCC    		 (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE
    31897
    P6M
    CHEMBL4088234
    ZINC000584905686    		 4 C17 H20 F5 N3 S InChI=1S/C17H20F5N3S/c1-9
    -7-15(2,25-14(23)26-9)11-
    5-10(12(18)6-13(11)19)8-2
    4-16(3-4-16)17(20,21)22/h
    5-6,9,24H,3-4,7-8H2,1-2H3
    ,(H2,23,25)/t9-,15+/m1/s1;
    ZQULGQNNJUBPOZ-PSLIRLAXSA-N    		 Fc2cc(F)c(CNC1(C(F)(F)F)CC1)cc2C3(C)N=C(
    SC(C3)C)N; CC1CC(N=C(S1)N)(C)c2cc(c(cc2F
    )F)CNC3(CC3)C(F)(F)F; C[C@@H]1C[C@](C)(N
    =C(N)S1)c2cc(CNC3(CC3)C(F)(F)F)c(F)cc2F;
    C[C@@H]1C[C@@](N=C(S1)N)(C)c2cc(c(cc2F)
    F)CNC3(CC3)C(F)(F)F; C[CH]1C[C](C)(N=C(N
    )S1)c2cc(CNC3(CC3)C(F)(F)F)c(F)cc2F    		 (4S,6R)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
    31898
    P6N
    ZINC000003861252    		 1 C11 H12 O InChI=1S/C11H12O/c1-8-6-7
    -9-4-2-3-5-10(9)11(8)12/h
    2-5,8H,6-7H2,1H3/t8-/m0/s
    1;
    GANIBVZSZGNMNB-QMMMGPOBSA-N    		 C[CH]1CCc2ccccc2C1=O; CC1CCc2ccccc2C1=O;
    C[C@H]1CCc2ccccc2C1=O    		 (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one
    31899
    P6O    		 1 C19 H14 Cl N3 O3 InChI=1S/C19H14ClN3O3/c20
    -12-5-6-15-14(7-12)19(26,
    8-17(24)22-15)18(25)23-16
    -10-21-9-11-3-1-2-4-13(11
    )16/h1-7,9-10,26H,8H2,(H,
    22,24)(H,23,25)/t19-/m0/s
    1;
    WTGNNXIIBVYQGH-IBGZPJMESA-N    		 O[C]1(CC(=O)Nc2ccc(Cl)cc12)C(=O)Nc3cncc4
    ccccc34; O[C@]1(CC(=O)Nc2ccc(Cl)cc12)C(=
    O)Nc3cncc4ccccc34; Clc1ccc2NC(=O)CC(O)(c
    2c1)C(=O)Nc1cncc2ccccc21; c1ccc2c(c1)cnc
    c2NC(=O)[C@@]3(CC(=O)Nc4c3cc(cc4)Cl)O; c
    1ccc2c(c1)cncc2NC(=O)C3(CC(=O)Nc4c3cc(cc
    4)Cl)O    		 (4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide
    31900
    P6P
    ZINC000003869919    		 4 C6 H13 O9 P InChI=1S/C6H13O9P/c7-2-6(
    10)5(9)4(8)3(15-6)1-14-16
    (11,12)13/h3-5,7-10H,1-2H
    2,(H2,11,12,13)/t3-,4-,5+
    ,6+/m1/s1;
    BGWGXPAPYGQALX-ZXXMMSQZSA-N    		 C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)O)O)O
    )OP(=O)(O)O; O=P(O)(O)OCC1OC(O)(CO)C(O)C
    1O; C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O; O
    C[C@]1(O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[
    C@@H]1O; OC[C]1(O)O[CH](CO[P](O)(O)=O)[C
    H](O)[CH]1O    		 6-O-phosphono-alpha-D-fructofuranose;
    alpha fructose-6-phosphate;
    6-O-phosphono-alpha-D-fructose;
    6-O-phosphono-D-fructose;
    6-O-phosphono-fructose
    31901
    P6Q    		 1 C5 H8 B10 N O2 S InChI=1S/C5H8B10NO2S/c16-
    19(17,18)3-1-2-4-8-11(4)5
    -6-10(4,5)14(6)13-7(5)12(
    5,11)9(13)15(4,8,13)14/h1
    -3H2,(H2,16,17,18);
    QLNJPQJBMGLBKN-UHFFFAOYSA-N    		 N[S](=O)(=O)CCC[C]123B4[B-]15[B+]67B8[B+
    ]9%10B6[C+]57%11B%12[B-]9([B-]2%11%12)[B
    ]348%10; B12B34B156B37B8B79C813B4B12B31C
    95(B61)CCCS(=O)(=O)N    		 Meta-Carborane propyl-sulfonamide
    31902
    P6R    		 4 C26 H25 Cl N2 O S InChI=1S/C26H25ClN2OS/c1-
    26(2,3)20-8-10-22(11-9-20
    )29(16-23-13-21(27)17-31-
    23)25(30)12-19-15-28-14-1
    8-6-4-5-7-24(18)19/h4-11,
    13-15,17H,12,16H2,1-3H3;
    VAAIHZIVXKAKRN-UHFFFAOYSA-N    		 Clc1cc(CN(C(=O)Cc2cncc3ccccc32)c2ccc(cc2
    )C(C)(C)C)sc1; CC(C)(C)c1ccc(cc1)N(Cc2cc
    (cs2)Cl)C(=O)Cc3cncc4c3cccc4; CC(C)(C)c1
    ccc(cc1)N(Cc2scc(Cl)c2)C(=O)Cc3cncc4cccc
    c34    		 N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide
    31903
    P6S
    ZINC000005933548    		 1 C8 H8 O3 InChI=1S/C8H8O3/c9-8(10)1
    1-6-7-4-2-1-3-5-7/h1-5H,6
    H2,(H,9,10);
    NJAPCAIWQRPQPY-UHFFFAOYSA-N    		 c1ccc(cc1)COC(=O)O; C(OC(=O)O)c1ccccc1;
    OC(=O)OCc1ccccc1    		 benzyl hydrogen carbonate
    31904
    P6T
    CHEMBL1235115
    DB02512
    ZINC000004523255    		 5 C6 H14 O12 P2 InChI=1S/C6H14O12P2/c7-3(
    1-17-19(11,12)13)5(9)6(10
    )4(8)2-18-20(14,15)16/h3,
    5-7,9-10H,1-2H2,(H2,11,12
    ,13)(H2,14,15,16)/t3-,5+,
    6-/m1/s1;
    XPYBSIWDXQFNMH-PQLUHFTBSA-N    		 O[C@H](CO[P](O)(O)=O)[C@H](O)[C@H](O)C(=
    O)CO[P](O)(O)=O; C(C(C(C(C(=O)COP(=O)(O)
    O)O)O)O)OP(=O)(O)O; O=P(O)(O)OCC(=O)C(O)
    C(O)C(O)COP(=O)(O)O; C([C@H]([C@@H]([C@@
    H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O; O[
    CH](CO[P](O)(O)=O)[CH](O)[CH](O)C(=O)CO[
    P](O)(O)=O    		 1,6-di-O-phosphono-D-tagatose
    31905
    P6U
    CHEMBL4098403
    ZINC000584905685    		 5 C16 H18 F5 N3 S InChI=1S/C16H18F5N3S/c1-1
    4(4-5-25-13(22)24-14)10-6
    -9(11(17)7-12(10)18)8-23-
    15(2-3-15)16(19,20)21/h6-
    7,23H,2-5,8H2,1H3,(H2,22,
    24)/t14-/m0/s1;
    XKONRMXLBXCJAM-AWEZNQCLSA-N    		 C[C@]1(CCSC(=N1)N)c2cc(CNC3(CC3)C(F)(F)F
    )c(F)cc2F; CC1(CCSC(=N1)N)c2cc(c(cc2F)F)
    CNC3(CC3)C(F)(F)F; C[C]1(CCSC(=N1)N)c2cc
    (CNC3(CC3)C(F)(F)F)c(F)cc2F; C[C@]1(CCSC
    (=N1)N)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F    		 (4S)-4-[2,4-difluoro-5-({[1-(trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
    31906
    P6V
    CHEMBL4591933
    ZINC000069635494    		 0 C8 H10 N2 O2 InChI=1S/C8H10N2O2/c9-5-6
    -1-3-7(4-2-6)8(11)10-12/h
    1-4,12H,5,9H2,(H,10,11);
    BEFFEYYOJBJYKA-UHFFFAOYSA-N    		 NCc1ccc(cc1)C(=O)NO; C(NO)(c1ccc(CN)cc1)
    =O; c1cc(ccc1CN)C(=O)NO    		 4-(aminomethyl)-N-hydroxybenzamide
    31907
    P6W
    ZINC000001615340    		 4 C5 H10 N2 O2 InChI=1S/C5H10N2O2/c6-4(8
    )2-1-3-5(7)9/h1-3H2,(H2,6
    ,8)(H2,7,9);
    RCCYSVYHULFYHE-UHFFFAOYSA-N    		 NC(=O)CCCC(N)=O; C(CC(=O)N)CC(=O)N pentanediamide;
    Glutaramide
    31908
    P6X
    ZINC000001281245    		 1 C10 H7 Cl2 N3 O S InChI=1S/C10H7Cl2N3OS/c11
    -7-2-1-6(3-8(7)12)5-17-10
    -14-9(16)4-13-15-10/h1-4H
    ,5H2,(H,14,15,16);
    CFRWHJMZZQCDAT-UHFFFAOYSA-N    		 Oc1nc(SCc2ccc(Cl)c(Cl)c2)nnc1; Oc1cnnc(S
    Cc2ccc(Cl)c(Cl)c2)n1; c1cc(c(cc1CSc2nc(c
    nn2)O)Cl)Cl    		 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol
    31909
    P6Y
    CHEMBL4475378    		 2 C15 H12 F3 N3 O3 InChI=1S/C15H12F3N3O3/c16
    -15(17,18)12-11(2-1-7-19-
    12)14(23)20-8-9-3-5-10(6-
    4-9)13(22)21-24/h1-7,24H,
    8H2,(H,20,23)(H,21,22);
    SQBRKYYJEYSFMY-UHFFFAOYSA-N    		 ONC(=O)c1ccc(CNC(=O)c2cccnc2C(F)(F)F)cc1
    ; c2(C(NCc1ccc(cc1)C(NO)=O)=O)cccnc2C(F)
    (F)F; c1cc(c(nc1)C(F)(F)F)C(=O)NCc2ccc(c
    c2)C(=O)NO    		 N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide
    31910
    P6Z
    ZINC000020357529    		 1 C10 H8 N2 O InChI=1S/C10H8N2O/c13-7-9
    -2-1-3-10(6-9)12-5-4-11-8
    -12/h1-8H;
    CGTQCZGDVDTRDI-UHFFFAOYSA-N    		 c1cc(cc(c1)n2ccnc2)C=O; O=Cc1cccc(c1)n2c
    cnc2    		 3-imidazol-1-ylbenzaldehyde
    31911
    P70    		 2 C17 H19 N2 O7 P InChI=1S/C17H19N2O7P/c1-1
    1-16(20)14(13(8-18-11)10-
    26-27(23,24)25)9-19-15(17
    (21)22)7-12-5-3-2-4-6-12/
    h2-6,8-9,15,20H,7,10H2,1H
    3,(H,21,22)(H2,23,24,25)/
    b19-9+/t15-/m0/s1;
    HMZRFMUDSWAGSO-OMPOGXFXSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=N[CH](Cc2ccccc2
    )C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)C=
    NC(Cc2ccccc2)C(=O)O)O; Cc1ncc(CO[P](O)(O
    )=O)c(C=N[C@@H](Cc2ccccc2)C(O)=O)c1O; Cc
    1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](Cc2cc
    ccc2)C(=O)O)O; C(=O)(O)C(\N=C\c1c(c(C)nc
    c1COP(O)(O)=O)O)Cc2ccccc2    		 (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-phenylalanine
    31912
    P71    		 2 C17 H19 N2 O7 P InChI=1S/C17H19N2O7P/c1-1
    1-16(20)14(13(8-18-11)10-
    26-27(23,24)25)9-19-15(17
    (21)22)7-12-5-3-2-4-6-12/
    h2-6,8-9,18,20H,7,10H2,1H
    3,(H,21,22)(H2,23,24,25)/
    b14-9-,19-15+;
    JRKRKLQVIAQBNI-NQHSUEJOSA-N    		 C(\C(=N\C=C1\C(=CNC(=C1O)C)COP(=O)(O)O)C
    c2ccccc2)(O)=O; CC1=C(C(=CN=C(Cc2ccccc2)
    C(=O)O)C(=CN1)COP(=O)(O)O)O; CC1=C(/C(=C
    \N=C(/Cc2ccccc2)\C(=O)O)/C(=CN1)COP(=O)(
    O)O)O; CC1=C(O)C(=CN=C(Cc2ccccc2)C(O)=O)
    C(=CN1)CO[P](O)(O)=O; CC1=C(O)\C(=C/N=C(
    Cc2ccccc2)C(O)=O)C(=CN1)CO[P](O)(O)=O    		 (2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-3-phenylpropanoic acid
    31913
    P72
    CHEMBL363685
    ZINC000000154053    		 1 C7 H8 N2 O InChI=1S/C7H8N2O/c8-7(9)5
    -1-3-6(10)4-2-5/h1-4,10H,
    (H3,8,9);
    YYXYBWIDIWTCGS-UHFFFAOYSA-N    		 c1cc(ccc1C(=N)N)O; NC(=N)c1ccc(O)cc1; [H
    ]/N=C(\c1ccc(cc1)O)/N    		 4-oxidanylbenzenecarboximidamide
    31914
    P73
    CHEMBL1532400
    ZINC000001030851    		 3 C15 H15 Br2 N3 O InChI=1S/C15H15Br2N3O/c1-
    9(2)10-6-12(16)14(13(17)7
    -10)20-15(21)19-11-4-3-5-
    18-8-11/h3-9H,1-2H3,(H2,1
    9,20,21);
    JFNKIJKRXKPQCC-UHFFFAOYSA-N    		 CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1;
    CC(C)c1cc(c(c(c1)Br)NC(=O)Nc2cccnc2)Br    		 1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-pyridin-3-yl-urea
    31915
    P74
    ZINC000098209293    		 2 C24 H36 I N3 O3 InChI=1S/C24H36IN3O3/c1-6
    -28(7-2)20-10-13-27(14-11
    -20)17-19-15-18(16-21(25)
    22(19)29)9-8-12-26-23(30)
    31-24(3,4)5/h15-16,20,29H
    ,6-7,10-14,17H2,1-5H3,(H,
    26,30);
    FCYRMDPXMJYHRX-UHFFFAOYSA-N    		 CCN(CC)C1CCN(CC1)Cc2cc(cc(I)c2O)C#CCNC(=
    O)OC(C)(C)C; CCN(CC)C1CCN(CC1)Cc2cc(cc(c
    2O)I)C#CCNC(=O)OC(C)(C)C; O=C(OC(C)(C)C)
    NCC#Cc1cc(c(O)c(I)c1)CN2CCC(N(CC)CC)CC2    		 TERT-BUTYL [3-(3-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-HYDROXY-5-IODOPHENYL)PROP-2-YN-1-YL]CARBAMATE
    31916
    P75
    CHEMBL4638841    		 1 C19 H22 N6 O7 S InChI=1S/C19H22N6O7S/c1-1
    1-7-24(19(28)21-18(11)27)
    17-6-15(16(9-26)32-17)25-
    8-12(22-23-25)10-31-13-2-
    4-14(5-3-13)33(20,29)30/h
    2-5,7-8,15-17,26H,6,9-10H
    2,1H3,(H2,20,29,30)(H,21,
    27,28)/t15-,16+,17+/m0/s1;
    PKERXAQSXFSAIU-GVDBMIGSSA-N    		 CC1=CN([CH]2C[CH]([CH](CO)O2)n3cc(COc4cc
    c(cc4)[S](N)(=O)=O)nn3)C(=O)NC1=O; CC1=C
    N(C(=O)NC1=O)C2CC(C(O2)CO)n3cc(nn3)COc4c
    cc(cc4)S(=O)(=O)N; CC1=CN(C(=O)NC1=O)[C@
    H]2C[C@@H]([C@H](O2)CO)n3cc(nn3)COc4ccc(
    cc4)S(=O)(=O)N; CC1=CN([C@H]2C[C@@H]([C@
    @H](CO)O2)n3cc(COc4ccc(cc4)[S](N)(=O)=O)
    nn3)C(=O)NC1=O    		 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide
    31917
    P76
    ZINC000064754853    		 1 C24 H27 N3 O4 InChI=1S/C24H27N3O4/c1-17
    (28)22(23(29)26-31)25-24(
    30)27-15-13-21(14-16-27)2
    0-11-9-19(10-12-20)8-7-18
    -5-3-2-4-6-18/h2-6,9-12,1
    7,21-22,28,31H,13-16H2,1H
    3,(H,25,30)(H,26,29)/t17-
    ,22+/m1/s1;
    SRSVRACVPWREJZ-VGSWGCGISA-N    		 CC(C(C(=O)NO)NC(=O)N1CCC(CC1)c2ccc(cc2)C
    #Cc3ccccc3)O; O=C(NC(C(=O)NO)C(O)C)N3CCC
    (c2ccc(C#Cc1ccccc1)cc2)CC3; C[C@@H](O)[C
    @H](NC(=O)N1CC[C@H](CC1)c2ccc(cc2)C#Cc3c
    cccc3)C(=O)NO; C[CH](O)[CH](NC(=O)N1CC[C
    H](CC1)c2ccc(cc2)C#Cc3ccccc3)C(=O)NO; C[
    C@H]([C@@H](C(=O)NO)NC(=O)N1CCC(CC1)c2cc
    c(cc2)C#Cc3ccccc3)O    		 N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-[4-(phenylethynyl)phenyl]piperidine-1-carboxamide
    31918
    P77
    CHEMBL728
    DB00433
    ZINC000019796018    		 17 C20 H24 Cl N3 S InChI=1S/C20H24ClN3S/c1-2
    2-11-13-23(14-12-22)9-4-1
    0-24-17-5-2-3-6-19(17)25-
    20-8-7-16(21)15-18(20)24/
    h2-3,5-8,15H,4,9-14H2,1H3;
    WIKYUJGCLQQFNW-UHFFFAOYSA-N    		 CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1;
    Clc2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(C)CC4
    ; CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl    		 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine
    31919
    P78
    CHEMBL1929196
    ZINC000035922339    		 1 C24 H27 N3 O4 S2 InChI=1S/C24H27N3O4S2/c1-
    24(2,3)20-15-19(22(28)27-
    10-12-33(30,31)13-11-27)2
    1(32-20)26-23(29)25-18-9-
    8-16-6-4-5-7-17(16)14-18/
    h4-9,14-15H,10-13H2,1-3H3
    ,(H2,25,26,29);
    AKQQWIZLJKLJED-UHFFFAOYSA-N    		 O=C(Nc2sc(cc2C(=O)N1CCS(=O)(=O)CC1)C(C)(
    C)C)Nc4cc3ccccc3cc4; CC(C)(C)c1sc(NC(=O)
    Nc2ccc3ccccc3c2)c(c1)C(=O)N4CC[S](=O)(=O
    )CC4; CC(C)(C)c1cc(c(s1)NC(=O)Nc2ccc3ccc
    cc3c2)C(=O)N4CCS(=O)(=O)CC4    		 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-ylurea
    31920
    P79
    CHEMBL1929210
    ZINC000034631879    		 1 C24 H29 N5 O4 S InChI=1S/C24H29N5O4S/c1-2
    4(2,3)20-15-21(29(27-20)1
    6-22(30)28-10-12-34(32,33
    )13-11-28)26-23(31)25-19-
    9-8-17-6-4-5-7-18(17)14-1
    9/h4-9,14-15H,10-13,16H2,
    1-3H3,(H2,25,26,31);
    ZTXJXRZDKINTFZ-UHFFFAOYSA-N    		 CC(C)(C)c1cc(NC(=O)Nc2ccc3ccccc3c2)n(CC(
    =O)N4CC[S](=O)(=O)CC4)n1; O=S4(=O)CCN(C(
    =O)Cn3nc(cc3NC(=O)Nc2cc1ccccc1cc2)C(C)(C
    )C)CC4; CC(C)(C)c1cc(n(n1)CC(=O)N2CCS(=O
    )(=O)CC2)NC(=O)Nc3ccc4ccccc4c3    		 1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1H-pyrazol-5-yl}-3-naphthalen-2-ylurea
    31921
    P7A
    CHEMBL1929207
    ZINC000038269617    		 1 C23 H27 N3 O3 S2 InChI=1S/C23H27N3O3S2/c1-
    23(2,3)20-15-19(21(30-20)
    26-11-13-31(28,29)14-12-2
    6)25-22(27)24-18-10-6-8-1
    6-7-4-5-9-17(16)18/h4-10,
    15H,11-14H2,1-3H3,(H2,24,
    25,27);
    VRPGNWGNMYKKMF-UHFFFAOYSA-N    		 CC(C)(C)c1sc(N2CC[S](=O)(=O)CC2)c(NC(=O)
    Nc3cccc4ccccc34)c1; O=S4(=O)CCN(c1sc(cc1
    NC(=O)Nc3c2ccccc2ccc3)C(C)(C)C)CC4; CC(C
    )(C)c1cc(c(s1)N2CCS(=O)(=O)CC2)NC(=O)Nc3
    cccc4c3cccc4    		 1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea
    31922
    P7B
    CHEMBL1929215
    ZINC000035921529    		 1 C25 H28 N4 O3 S InChI=1S/C25H28N4O3S/c1-2
    5(2,3)20-15-18(23(31)29-1
    3-11-21(30)26-12-14-29)22
    (33-20)28-24(32)27-19-10-
    6-8-16-7-4-5-9-17(16)19/h
    4-10,15H,11-14H2,1-3H3,(H
    ,26,30)(H2,27,28,32);
    SNHWMEWYAPKRQL-UHFFFAOYSA-N    		 O=C(Nc2sc(cc2C(=O)N1CCC(=O)NCC1)C(C)(C)C
    )Nc4c3ccccc3ccc4; CC(C)(C)c1sc(NC(=O)Nc2
    cccc3ccccc23)c(c1)C(=O)N4CCNC(=O)CC4; CC
    (C)(C)c1cc(c(s1)NC(=O)Nc2cccc3c2cccc3)C(
    =O)N4CCC(=O)NCC4    		 1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea
    31923
    P7C
    CHEMBL1929238
    ZINC000072318122    		 1 C25 H33 Cl2 N5 O3 S InChI=1S/C25H33Cl2N5O3S/c
    1-25(2,3)19-15-16(22(36-1
    9)29-24(35)28-18-8-6-7-17
    (26)21(18)27)23(34)32-10-
    9-20(33)31(13-14-32)12-11
    -30(4)5/h6-8,15H,9-14H2,1
    -5H3,(H2,28,29,35);
    SIUIQMQVKUUQQF-UHFFFAOYSA-N    		 CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)
    C(=O)N3CCC(=O)N(CC3)CCN(C)C; CN(C)CCN1CC
    N(CCC1=O)C(=O)c2cc(sc2NC(=O)Nc3cccc(Cl)c
    3Cl)C(C)(C)C; O=C(Nc2sc(cc2C(=O)N1CCC(=O
    )N(CCN(C)C)CC1)C(C)(C)C)Nc3cccc(Cl)c3Cl    		 1-[5-tert-butyl-3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)thiophen-2-yl]-3-(2,3-dichlorophenyl)urea
    31924
    P7D
    CHEMBL4296717
    DB12392
    ZINC000013983495    		 6 C16 H19 N3 O4 S InChI=1S/C16H19N3O4S/c1-1
    8(2)11-13-3-6-15(7-4-13)2
    4(22,23)19-10-9-14(12-19)
    5-8-16(20)17-21/h3-10,12,
    21H,11H2,1-2H3,(H,17,20)/
    b8-5+;
    FECGNJPYVFEKOD-VMPITWQZSA-N    		 CN(C)Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)/C=C/C
    (=O)NO; CN(C)Cc1ccc(cc1)S(=O)(=O)n2ccc(c
    2)C=CC(=O)NO; CN(C)Cc1ccc(cc1)[S](=O)(=O
    )n2ccc(C=CC(=O)NO)c2; CN(C)Cc1ccc(cc1)[S
    ](=O)(=O)n2ccc(\C=C\C(=O)NO)c2; c1cc(ccc
    1CN(C)C)S(n2ccc(\C=C\C(=O)NO)c2)(=O)=O    		 Resminostat;
    (2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-hydroxyprop-2-enamide
    31925
    P7E    		 1 C13 H16 N2 O4 S InChI=1S/C13H16N2O4S/c1-1
    1(17)14-6-8-15(9-7-14)20(
    18,19)13-4-2-12(10-16)3-5
    -13/h2-5,10H,6-9H2,1H3;
    ADTCFJRHDRXFNB-UHFFFAOYSA-N    		 CC(=O)N1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2
    ; CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O    		 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde
    31926
    P7F
    CHEMBL247951
    DB15212    		 8 C28 H30 N2 O6 InChI=1S/C28H30N2O6/c1-3-
    25(27(31)32)35-23-9-6-8-2
    0(18-23)19-30(28-29-24-10
    -4-5-11-26(24)36-28)16-7-
    17-34-22-14-12-21(33-2)13
    -15-22/h4-6,8-15,18,25H,3
    ,7,16-17,19H2,1-2H3,(H,31
    ,32)/t25-/m1/s1;
    ZHKNLJLMDFQVHJ-RUZDIDTESA-N    		 CC[C@H](C(=O)O)Oc1cccc(c1)CN(CCCOc2ccc(c
    c2)OC)c3nc4ccccc4o3; CCC(C(=O)O)Oc1cccc(
    c1)CN(CCCOc2ccc(cc2)OC)c3nc4ccccc4o3; CC
    [CH](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c3oc4cc
    ccc4n3)c1)C(O)=O; CC[C@@H](Oc1cccc(CN(CC
    COc2ccc(OC)cc2)c3oc4ccccc4n3)c1)C(O)=O    		 (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid
    31927
    P7G    		 0 C13 H22 N5 O8 P InChI=1S/C13H22N5O8P/c1-2
    -3-17-5-18(10-7(17)11(21)
    16-13(14)15-10)12-9(20)8(
    19)6(26-12)4-25-27(22,23)
    24/h6,8-9,12,19-20H,2-5H2
    ,1H3,(H2,22,23,24)(H3,14,
    15,16,21)/t6-,8-,9-,12-/m
    1/s1;
    RYXOSWCCKYWJKM-WOUKDFQISA-N    		 CCCN1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)
    [CH]2O)C3=C1C(=O)N=C(N)N3; CCCN1CN([C@@H
    ]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)
    C3=C1C(=O)N=C(N)N3; CCCN1CN(C2=C1C(=O)N=
    C(N2)N)C3C(C(C(O3)COP(=O)(O)O)O)O; CCCN1
    CN(C2=C1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H
    ]([C@H](O3)COP(=O)(O)O)O)O    		 7-propyl, guanosine-5'-monophosphate
    31928
    P7H    		 1 C8 H16 B10 N2 O4 S2 InChI=1S/C8H16B10N2O4S2/c
    19-25(21,22)5-1-3-7-9-8(4
    -2-6-26(20,23)24)10(7,9)1
    2(7)14(8,10)16(8)13(8,9)1
    1(7,9)15(7,12)17(11,13,16
    )18(12,14,15)16/h1-6H2,(H
    2,19,21,22)(H2,20,23,24);
    XTUMZYHPWIIDIL-UHFFFAOYSA-N    		 N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]5
    %11%12[B]8%13%14[B]9%15%16[B]16%10[B]2%1
    5%17[B]3%18%19[B]47%11[B]%12%13%18[C]%14
    %16%17%19CCC[S](N)(=O)=O; B1234B567B189B
    212B33%10B454B656B787C911(B232B715C4%106
    2CCCS(=O)(=O)N)CCCS(=O)(=O)N    		 Meta-Carborane di-propyl-sulfonamide
    31929
    P7I
    CHEMBL1321977
    ZINC000055157330    		 3 C2 H8 N O3 P InChI=1S/C2H8NO3P/c3-1-2-
    7(4,5)6/h1-3H2,(H2,4,5,6);
    QQVDJLLNRSOCEL-UHFFFAOYSA-N    		 NCC[P](O)(O)=O; C(CP(=O)(O)O)N; O=P(O)(O
    )CCN    		 (2-aminoethyl)phosphonic acid
    31930
    P7J
    CHEMBL4571732    		 1 C18 H26 N2 O2 InChI=1S/C18H26N2O2/c1-18
    (2)15-8-7-14(16(18)9-15)1
    1-19-10-12-3-5-13(6-4-12)
    17(21)20-22/h3-6,14-16,19
    ,22H,7-11H2,1-2H3,(H,20,2
    1)/t14-,15+,16+/m0/s1;
    JDQKGQWEIJPQSI-ARFHVFGLSA-N    		 CC1([C@@H]2CC[C@H]([C@H]1C2)CNCc3ccc(cc3
    )C(=O)NO)C; CC1(C)[C@@H]2CC[C@@H](CNCc3c
    cc(cc3)C(=O)NO)[C@H]1C2; CC1(C)[CH]2CC[C
    H](CNCc3ccc(cc3)C(=O)NO)[CH]1C2; CC1(C2C
    CC(C1C2)CNCc3ccc(cc3)C(=O)NO)C; c3c(CNCC
    2CCC1CC2C1(C)C)ccc(C(NO)=O)c3    		 4-[({[(1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-N-hydroxybenzamide
    31931
    P7K
    CHEMBL2152477
    ZINC000006067381    		 2 C20 H16 O5 InChI=1S/C20H16O5/c1-20(2
    4)8-10-6-7-12-17(15(10)13
    (21)9-20)19(23)11-4-3-5-1
    4(25-2)16(11)18(12)22/h3-
    7,24H,8-9H2,1-2H3/t20-/m1
    /s1;
    XZLGWJORNHETKI-HXUWFJFHSA-N    		 CC1(Cc2ccc3c(c2C(=O)C1)C(=O)c4cccc(c4C3=
    O)OC)O; COc1cccc2C(=O)c3c(ccc4C[C](C)(O)
    CC(=O)c34)C(=O)c12; C[C@]1(Cc2ccc3c(c2C(
    =O)C1)C(=O)c4cccc(c4C3=O)OC)O; COc1cccc2
    C(=O)c3c(ccc4C[C@@](C)(O)CC(=O)c34)C(=O)
    c12    		 (3~{R})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
    31932
    P7L    		 4 C23 H19 Cl N2 O2 S InChI=1S/C23H19ClN2O2S/c1
    -28-20-8-6-19(7-9-20)26(1
    4-21-11-18(24)15-29-21)23
    (27)10-17-13-25-12-16-4-2
    -3-5-22(16)17/h2-9,11-13,
    15H,10,14H2,1H3;
    CKKMMWWEOWLHCZ-UHFFFAOYSA-N    		 COc1ccc(cc1)N(Cc2scc(Cl)c2)C(=O)Cc3cncc4
    ccccc34; Clc1cc(CN(C(=O)Cc2cncc3ccccc32)
    c2ccc(OC)cc2)sc1; COc1ccc(cc1)N(Cc2cc(cs
    2)Cl)C(=O)Cc3cncc4c3cccc4    		 N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide
    31933
    P7M
    CHEMBL2110587
    DB11941
    ZINC000003816311    		 2 C11 H6 Br Cl2 N O3 S2 InChI=1S/C11H6BrCl2NO3S2/
    c12-9-3-4-10(19-9)20(17,1
    8)15-11(16)7-2-1-6(13)5-8
    (7)14/h1-5H,(H,15,16);
    WWONFUQGBVOKOF-UHFFFAOYSA-N    		 Clc1ccc(c(Cl)c1)C(=O)N[S](=O)(=O)c2sc(Br
    )cc2; c1cc(c(cc1Cl)Cl)C(=O)NS(=O)(=O)c2c
    cc(s2)Br; c1c(Cl)ccc(c1Cl)C(=O)NS(c2sc(c
    c2)Br)(=O)=O    		 N-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide;
    Tasisulam
    31934
    P7N    		 4 C22 H22 F3 N7 O3 S InChI=1S/C22H22F3N7O3S/c1
    -32(36(2,34)35)20-14(4-3-
    9-26-20)11-27-19-16(22(23
    ,24)25)12-28-21(31-19)29-
    15-6-7-17-13(10-15)5-8-18
    (33)30-17/h3-4,6-7,9-10,1
    2H,5,8,11H2,1-2H3,(H,30,3
    3)(H2,27,28,29,31);
    MUVVMGFRHXQCRG-UHFFFAOYSA-N    		 CN(c1ncccc1CNc2nc(Nc3ccc4NC(=O)CCc4c3)nc
    c2C(F)(F)F)[S](C)(=O)=O; CN(c1c(cccn1)CN
    c2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(F)(F)
    F)S(=O)(=O)C    		 ~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
    31935
    P7Q    		 2 C20 H16 O6 InChI=1S/C20H16O6/c1-20(2
    5)7-9-6-11(21)16-17(14(9)
    12(22)8-20)18(23)10-4-3-5
    -13(26-2)15(10)19(16)24/h
    3-6,21,25H,7-8H2,1-2H3/t2
    0-/m1/s1;
    LQIPGPPZCXJWKY-HXUWFJFHSA-N    		 COc1cccc2C(=O)c3c4C(=O)C[C](C)(O)Cc4cc(O
    )c3C(=O)c12; CC1(Cc2cc(c3c(c2C(=O)C1)C(=
    O)c4cccc(c4C3=O)OC)O)O; C[C@]1(Cc2cc(c3c
    (c2C(=O)C1)C(=O)c4cccc(c4C3=O)OC)O)O; CO
    c1cccc2C(=O)c3c4C(=O)C[C@](C)(O)Cc4cc(O)
    c3C(=O)c12    		 (3~{R})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
    31936
    P7R    		 3 C17 H15 Cl N4 O3 InChI=1S/C17H15ClN4O3/c1-
    22-15-12(7-19-8-13(15)21-
    17(22)24)20-16(23)10-4-5-
    25-14-3-2-9(18)6-11(10)14
    /h2-3,6-8,10H,4-5H2,1H3,(
    H,20,23)(H,21,24)/t10-/m1
    /s1;
    YNHUBGVMTXFOMC-SNVBAGLBSA-N    		 CN1C(=O)Nc2cncc(NC(=O)[CH]3CCOc4ccc(Cl)c
    c34)c12; CN1c2c(cncc2NC(=O)C3CCOc4c3cc(c
    c4)Cl)NC1=O; CN1C(=O)Nc2cncc(NC(=O)[C@@H
    ]3CCOc4ccc(Cl)cc34)c12; CN1c2c(NC1=O)cnc
    c2NC(=O)C1CCOc2ccc(Cl)cc21; CN1c2c(cncc2
    NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl)NC1=O    		 (4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    31937
    P7S
    CHEMBL4802237    		 2 C22 H29 Cl N4 O6 InChI=1S/C22H29ClN4O6/c1-
    22(2,3)18(26-19(31)12-6-7
    -15(24)14(23)9-12)21(33)2
    7-8-4-5-16(27)20(32)25-13
    (11-28)10-17(29)30/h6-7,9
    ,11,13,16,18H,4-5,8,10,24
    H2,1-3H3,(H,25,32)(H,26,3
    1)(H,29,30)/t13-,16-,18+/
    m0/s1;
    SOZONDBMOYWSRW-QANKJYHBSA-N    		 CC(C)(C)[CH](NC(=O)c1ccc(N)c(Cl)c1)C(=O)
    N2CCC[CH]2C(=O)N[CH](CC(O)=O)C=O; CC(C)(
    C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=
    O)c2ccc(c(c2)Cl)N; CC(C)(C)[C@H](NC(=O)c
    1ccc(N)c(Cl)c1)C(=O)N2CCC[C@H]2C(=O)N[C@
    @H](CC(O)=O)C=O; CC(C)(C)[C@@H](C(=O)N1C
    CC[C@H]1C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)c
    2ccc(c(c2)Cl)N; C2CN(C(C(C(C)(C)C)NC(c1c
    cc(c(c1)Cl)N)=O)=O)C(C(NC(CC(=O)O)C=O)=O
    )C2    		 N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide
    31938
    P7T    		 1 C13 H17 N O4 S InChI=1S/C13H17NO4S/c1-10
    -7-14(8-11(2)18-10)19(16,
    17)13-5-3-12(9-15)4-6-13/
    h3-6,9-11H,7-8H2,1-2H3/t1
    0-,11+;
    GZGHFFPTXVUCPP-PHIMTYICSA-N    		 C[CH]1CN(C[CH](C)O1)[S](=O)(=O)c2ccc(C=O
    )cc2; C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)c
    2ccc(cc2)C=O; CC1CN(CC(O1)C)S(=O)(=O)c2c
    cc(cc2)C=O; C[C@H]1CN(C[C@@H](C)O1)[S](=
    O)(=O)c2ccc(C=O)cc2    		 4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde
    31939
    P7U    		 2 C35 H37 Cl F N7 O5 InChI=1S/C35H37ClFN7O5/c1
    -21(45)35(47,48)32(46)44-
    17-16-42(19-23(44)10-13-3
    8)31-25-18-39-29(24-8-2-6
    -22-7-3-9-26(36)27(22)24)
    28(37)30(25)40-33(41-31)4
    9-20-34-11-4-14-43(34)15-
    5-12-34/h2-3,6-9,18,21,23
    ,45,47-48H,4-5,10-12,14-1
    7,19-20H2,1H3/t21-,23-/m0
    /s1;
    ODVFPOIDMRCQHU-GMAHTHKFSA-N    		 CC(O)C(O)(O)C(=O)N1CCN(CC1CC#N)c1nc(nc2c
    (F)c(ncc21)c1cccc2cccc(Cl)c21)OCC12CCCN2
    CCC1; C[CH](O)C(O)(O)C(=O)N1CCN(C[CH]1CC
    #N)c2nc(OCC34CCCN3CCC4)nc5c(F)c(ncc25)c6
    cccc7cccc(Cl)c67; C[C@@H](C(C(=O)N1CCN(C
    [C@@H]1CC#N)c2c3cnc(c(c3nc(n2)OCC45CCCN4
    CCC5)F)c6cccc7c6c(ccc7)Cl)(O)O)O; C[C@H]
    (O)C(O)(O)C(=O)N1CCN(C[C@@H]1CC#N)c2nc(O
    CC34CCCN3CCC4)nc5c(F)c(ncc25)c6cccc7cccc
    (Cl)c67; CC(C(C(=O)N1CCN(CC1CC#N)c2c3cnc
    (c(c3nc(n2)OCC45CCCN4CCC5)F)c6cccc7c6c(c
    cc7)Cl)(O)O)O    		 {(2S)-4-[(7P)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4R,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-[(3S)-2,2,3-trihydroxybutanoyl]piperazin-2-yl}acetonitrile
    31940
    P7V
    CHEMBL3770095
    ZINC000653701701    		 2 C10 H7 Br N2 O3 InChI=1S/C10H7BrN2O3/c11-
    7-3-1-6(2-4-7)10-12-8(5-1
    6-10)9(14)13-15/h1-5,15H,
    (H,13,14);
    KHPRTOQUGAUDCM-UHFFFAOYSA-N    		 ONC(=O)c1coc(n1)c2ccc(Br)cc2; C(c2coc(c1
    ccc(Br)cc1)n2)(NO)=O; c1cc(ccc1c2nc(co2)
    C(=O)NO)Br    		 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide
    31941
    P7W
    ZINC000001690029    		 2 C8 H12 O6 InChI=1S/C8H12O6/c9-6(10)
    3-1-5(8(13)14)2-4-7(11)12
    /h5H,1-4H2,(H,9,10)(H,11,
    12)(H,13,14);
    ROTJZTYLACIJIG-UHFFFAOYSA-N    		 C(CC(=O)O)C(CCC(=O)O)C(=O)O; OC(=O)CCC(C
    CC(O)=O)C(O)=O    		 pentane-1,3,5-tricarboxylic acid
    31942
    P7Y
    CHEMBL231045
    ZINC000001688684    		 1 C8 H7 N O3 InChI=1S/C8H7NO3/c10-8-4-
    2-1-3-7(8)5-6-9(11)12/h1-
    6,10H/b6-5+;
    PMDYAIGGZBRBFX-AATRIKPKSA-N    		 Oc1ccccc1C=C[N+]([O-])=O; Oc1ccccc1\C=C\
    [N+]([O-])=O; [O-][N+](=O)/C=C/c1ccccc1O
    ; c1ccc(c(c1)/C=C/[N+](=O)[O-])O; c1ccc(
    c(c1)C=C[N+](=O)[O-])O    		 2-[(E)-2-nitroethenyl]phenol;
    (E)-1-(2'-hydroxyphenyl)-2-nitroethene
    31943
    P7Z    		 1 C8 H16 B10 N2 O4 S2 InChI=1S/C8H16B10N2O4S2/c
    19-25(21,22)5-1-3-7-8(4-2
    -6-26(20,23)24)9(7)11(7)1
    2(7)10(7,8)14(8)13(8,9)15
    (9,11)17(11,12)16(10,12,1
    4)18(13,14,15)17/h1-6H2,(
    H2,19,21,22)(H2,20,23,24);
    MVCYXZQFBQXOJM-UHFFFAOYSA-N    		 B1234B567B189B212B33%10B454B656B787B911C
    232(B4%105C7612CCCS(=O)(=O)N)CCCS(=O)(=O
    )N; N[S](=O)(=O)CCC[C]1234[B]567[B]89%10
    [B]%11%12%13[B]58%14[B]%11%15%16[B]%12%1
    7%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%
    18(CCC[S](N)(=O)=O)[B]47%14%16    		 Ortho-Carborane di-propyl-sulfonamide
    31944
    P80
    CHEMBL1615164
    ZINC000002244055    		 2 C8 H7 N O3 InChI=1S/C8H7NO3/c10-8-3-
    1-2-7(6-8)4-5-9(11)12/h1-
    6,10H/b5-4+;
    DHTXBJQMDPODIB-SNAWJCMRSA-N    		 Oc1cccc(C=C[N+]([O-])=O)c1; c1cc(cc(c1)O
    )C=C[N+](=O)[O-]; [O-][N+](=O)/C=C/c1cc(
    O)ccc1; c1cc(cc(c1)O)/C=C/[N+](=O)[O-];
    Oc1cccc(/C=C/[N+]([O-])=O)c1    		 3-[(E)-2-nitroethenyl]phenol;
    (E)-1-(3'-hydroxyphenyl)-2-nitroethene
    31945
    P81
    CHEMBL307481
    ZINC000000039663    		 1 C8 H7 N O3 InChI=1S/C8H7NO3/c10-8-3-
    1-7(2-4-8)5-6-9(11)12/h1-
    6,10H/b6-5+;
    CTJKRKMPTRJAIT-AATRIKPKSA-N    		 c1cc(ccc1/C=C/[N+](=O)[O-])O; Oc1ccc(cc1
    )C=C[N+]([O-])=O; Oc1ccc(cc1)/C=C/[N+]([
    O-])=O; [O-][N+](=O)/C=C/c1ccc(O)cc1; c1
    cc(ccc1C=C[N+](=O)[O-])O    		 4-[(E)-2-nitroethenyl]phenol;
    (E)-1-(4'-hydroxyphenyl)-2-nitroethene
    31946
    P82    		 1 C8 H16 B10 N2 O4 S2 InChI=1S/C8H16B10N2O4S2/c
    19-25(21,22)5-1-3-7-9-10(
    7)12(7)13(7)11(7,9)15(9)8
    (4-2-6-26(20,23)24)14(9,1
    0,15)16(8,10,12)18(8,12,1
    3)17(8,11,13)15/h1-6H2,(H
    2,19,21,22)(H2,20,23,24);
    HXGDSZGPWSRELQ-UHFFFAOYSA-N    		 B1234B567B189B212B88%10C955(B669B733C411
    (B363B218B9%1035)CCCS(=O)(=O)N)CCCS(=O)(
    =O)N; N[S](=O)(=O)CCC[C]1234[B]567[B]189
    [B]2%10%11[B]3%12%13[B]45%14[B]6%15%16[B
    ]78%17[B]9%10%18[B]%11%12%19[B]%13%14%15
    [C]%16%17%18%19CCC[S](N)(=O)=O    		 Para-Carborane di-propyl-sulfonamide
    31947
    P83
    CHEMBL1235116
    DB08363
    ZINC000003888893    		 1 C16 H18 N2 InChI=1S/C16H18N2/c1-3-18
    -15-7-5-4-6-13(15)14-10-1
    2(11-17-2)8-9-16(14)18/h4
    -10,17H,3,11H2,1-2H3;
    LBPNOEAFWYTTEB-UHFFFAOYSA-N    		 c1cccc3c1c2c(ccc(c2)CNC)n3CC; CCn1c2cccc
    c2c3cc(CNC)ccc13; CCn1c2ccccc2c3c1ccc(c3
    )CNC    		 1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
    31948
    P84
    CHEMBL5183726
    ZINC000016662865    		 2 C14 H20 I2 N2 O InChI=1S/C14H20I2N2O/c1-1
    7-5-3-12(4-6-17)18(2)9-10
    -7-11(15)8-13(16)14(10)19
    /h7-8,12,19H,3-6,9H2,1-2H
    3;
    IAJFTEUXEMKNJL-UHFFFAOYSA-N    		 CN1CCC(CC1)N(C)Cc2cc(cc(c2O)I)I; Ic1cc(c
    (O)c(I)c1)CN(C)C2CCN(C)CC2; CN1CCC(CC1)N
    (C)Cc2cc(I)cc(I)c2O    		 2,4-BIS(IODANYL)-6-[[METHYL-(1-METHYLPIPERIDIN-4-YL)AMINO]METHYL]PHENOL
    31949
    P85
    CHEMBL3233814    		 4 C25 H27 F N2 O InChI=1S/C25H27FN2O/c1-18
    (23-8-4-6-20-5-2-3-7-24(2
    0)23)28-15-13-21(14-16-28
    )25(29)27-17-19-9-11-22(2
    6)12-10-19/h2-12,18,21H,1
    3-17H2,1H3,(H,27,29)/t18-
    /m1/s1;
    VTAUBQMDNJOEAK-GOSISDBHSA-N    		 CC(c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc
    (cc4)F; C[C@@H](N1CC[C@@H](CC1)C(=O)NCc2
    ccc(F)cc2)c3cccc4ccccc34; C[CH](N1CC[CH]
    (CC1)C(=O)NCc2ccc(F)cc2)c3cccc4ccccc34;
    C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc
    4ccc(cc4)F; Fc1ccc(cc1)CNC(=O)C4CCN(C(c3
    c2ccccc2ccc3)C)CC4    		 N-[(4-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
    31950
    P86
    ZINC000098209295    		 2 C16 H24 I2 N2 O InChI=1S/C16H24I2N2O/c1-3
    -20(4-2)14-5-7-19(8-6-14)
    11-12-9-13(17)10-15(18)16
    (12)21/h9-10,14,21H,3-8,1
    1H2,1-2H3;
    YZPXNEXVQURJCE-UHFFFAOYSA-N    		 CCN(CC)C1CCN(CC1)Cc2cc(I)cc(I)c2O; Ic1cc
    (c(O)c(I)c1)CN2CCC(N(CC)CC)CC2; CCN(CC)C
    1CCN(CC1)Cc2cc(cc(c2O)I)I    		 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4,6-DIIODOPHENOL
    31951
    P87    		 2 C11 H19 N O2 InChI=1S/C11H19NO2/c13-11
    (12-6-1-2-7-12)4-3-10-5-8
    -14-9-10/h10H,1-9H2/t10-/
    m0/s1;
    QMNDAUGCAGNHLO-JTQLQIEISA-N    		 C1CCN(C1)C(=O)CC[C@H]2CCOC2; O=C(CC[CH]1
    CCOC1)N2CCCC2; O=C(N1CCCC1)CCC2CCOC2; O=
    C(CC[C@H]1CCOC1)N2CCCC2; C1CCN(C1)C(=O)C
    CC2CCOC2    		 3-[(3S)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one
    31952
    P88
    ZINC000095921157    		 1 C31 H28 N2 O4 InChI=1S/C31H28N2O4/c1-18
    (2)30-26(29(33-37-30)28-1
    9(3)6-5-7-20(28)4)17-36-2
    5-12-10-21(11-13-25)22-8-
    9-23-15-27(31(34)35)32-16
    -24(23)14-22/h5-16,18H,17
    H2,1-4H3,(H,34,35);
    DWPOYLMUSLXOEM-UHFFFAOYSA-N    		 CC(C)c1onc(c1COc2ccc(cc2)c3ccc4cc(ncc4c3
    )C(O)=O)c5c(C)cccc5C; Cc1cccc(c1c2c(c(on
    2)C(C)C)COc3ccc(cc3)c4ccc5cc(ncc5c4)C(=O
    )O)C; O=C(O)c2ncc1cc(ccc1c2)c5ccc(OCc4c(
    onc4c3c(cccc3C)C)C(C)C)cc5    		 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid
    31953
    P89    		 4 C19 H31 N2 O6 P InChI=1S/C19H31N2O6P/c1-3
    -4-5-6-7-8-9-10-17(22)12-
    20-13-18-16(14-27-28(24,2
    5)26)11-21-15(2)19(18)23/
    h11,13,23H,3-10,12,14H2,1
    -2H3,(H2,24,25,26)/b20-13
    +;
    NFGPSQDCIMWBHR-DEDYPNTBSA-N    		 CCCCCCCCCC(=O)CN=Cc1c(cnc(c1O)C)COP(=O)(
    O)O; CCCCCCCCCC(=O)C/N=C/c1c(cnc(c1O)C)C
    OP(=O)(O)O; CCCCCCCCCC(=O)CN=Cc1c(O)c(C)
    ncc1CO[P](O)(O)=O    		 [6-methyl-5-oxidanyl-4-[(~{E})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate
    31954
    P8A
    CHEMBL428730
    ZINC000004386887    		 1 C8 H12 N2 O2 InChI=1S/C8H12N2O2/c1-2-3
    -4-6-5-7(8(11)12)10-9-6/h
    5H,2-4H2,1H3,(H,9,10)(H,1
    1,12);
    ZJTXSGLJNBAMJS-UHFFFAOYSA-N    		 CCCCc1cc(n[nH]1)C(=O)O; CCCCc1[nH]nc(c1)
    C(O)=O    		 5-butyl-1~{H}-pyrazole-3-carboxylic acid
    31955
    P8B    		 2 C5 H8 B10 N O2 S InChI=1S/C5H8B10NO2S/c16-
    19(17,18)3-1-2-5-11-6-4-7
    (6,11)9(4)10(4)8(4,6)12(5
    ,6,11)14(5,8,10)15(5,9,10
    )13(5,7,9)11/h1-3H2,(H2,1
    6,17,18);
    HBQBYDZBZCGZJU-UHFFFAOYSA-N    		 B1234B567B189B212B33%10C454B656B433B%101
    1B353B768C9213CCCS(=O)(=O)N; N[S](=O)(=O
    )CCC[C]1234[B]567[B]89%10[B]5%11%12[B]%1
    3%14%15[B]%16%17%18[B]8%19([B]169[B]2%16
    %19[B]3%13%17[B]47%11%14)[C]%10%12%15%18    		 Para-Carborane propyl-sulfonamide
    31956
    P8C    		 3 C24 H40 F2 N3 O8 S InChI=1S/C24H38F2N3O8S/c1
    -13(2)9-18(21(31)28-19(22
    (32)38(34,35)36)11-15-5-8
    -27-20(15)30)29-23(33)37-
    12-16-10-17(16)14-3-6-24(
    25,26)7-4-14/h13-19,22,32
    H,3-12H2,1-2H3,(H3-2,27,2
    8,29,30,31,33,34,35,36)/q
    -1/p+2/t15-,16+,17+,18-,1
    9-,22+/m0/s1;
    ACNPODIUBZVYHB-PGIRCJHISA-P    		 CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=
    O)[C@H](O)[S+](=O)(O)O)NC(=O)OC[C@H]2C[C
    @@H]2C3CCC(CC3)(F)F; CC(C)C[CH](NC(=O)OC
    [CH]1C[CH]1C2CCC(F)(F)CC2)C(=O)N[CH](C[C
    H]3CCNC3=O)[CH](O)[S+](O)(O)=O; CC(C)CC(
    C(=O)NC(CC1CCNC1=O)C(O)[S+](=O)(O)O)NC(=
    O)OCC2CC2C3CCC(CC3)(F)F; CC(C)C[C@H](NC(
    =O)OC[C@H]1C[C@@H]1C2CCC(F)(F)CC2)C(=O)N
    [C@@H](C[C@@H]3CCNC3=O)[C@H](O)[S+](O)(O
    )=O    		 [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
    31957
    P8D
    ZINC000025109138    		 1 C7 H14 N O6 P InChI=1S/C7H14NO6P/c1-4(8
    )15(13,14)3-5(7(11)12)2-6
    (9)10/h4-5H,2-3,8H2,1H3,(
    H,9,10)(H,11,12)(H,13,14)
    /t4-,5+/m1/s1;
    LWODXTSWCZWQHR-UHNVWZDZSA-N    		 C[C@H](N)[P](O)(=O)C[C@H](CC(O)=O)C(O)=O
    ; C[CH](N)[P](O)(=O)C[CH](CC(O)=O)C(O)=O
    ; O=P(O)(C(N)C)CC(C(=O)O)CC(=O)O; CC(N)P
    (=O)(CC(CC(=O)O)C(=O)O)O; C[C@H](N)[P@@]
    (=O)(C[C@H](CC(=O)O)C(=O)O)O    		 phosphinate pseudodipeptide L-Ala-D-Asp;
    (2R)-2-{[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid
    31958
    P8E    		 248 C9 H18 N2 O6 InChI=1S/C9H18N2O6/c1-3(1
    2)5(10)7-6(11)4(13)2-9(16
    ,17-7)8(14)15/h3-7,12-13,
    16H,2,10-11H2,1H3,(H,14,1
    5)/t3-,4-,5-,6-,7-,9-/m0/
    s1;
    ZFZFJUIKYIVPNP-YXGHPGITSA-N    		 CC(C(C1C(C(CC(O1)(C(=O)O)O)O)N)N)O; C[C@
    @H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C
    (=O)O)O)O)N)N)O; CC(O)C(C1OC(CC(C1N)O)(O
    )C(O)=O)N; C[C@H](O)[C@H](N)[C@@H]1O[C@@
    ](O)(C[C@H](O)[C@@H]1N)C(O)=O; C[CH](O)[
    CH](N)[CH]1O[C](O)(C[CH](O)[CH]1N)C(O)=O    		 5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid
    31959
    P8F
    CHEMBL1782463
    ZINC000068150110    		 0 C29 H30 F N3 O7 InChI=1S/C29H30FN3O7/c1-3
    2(2)22-18-8-15-7-14-6-13-
    4-3-12(9-33-10-16(30)11-3
    3)5-17(13)23(34)19(14)24(
    35)20(15)26(37)29(18,40)2
    7(38)21(25(22)36)28(31)39
    /h3-6,15-16,18,22,34,36-3
    7,40H,7-11H2,1-2H3,(H2,31
    ,39)/t15-,18-,22-,29-/m0/
    s1;
    DAUIQSOIFWOKJQ-MGVDVOGZSA-N    		 CN(C)C1C2CC3Cc4cc5ccc(cc5c(c4C(=O)C3=C(C
    2(C(=O)C(=C1O)C(=O)N)O)O)O)CN6CC(C6)F; C
    N(C)[C@H]1[C@@H]2C[C@@H]3Cc4cc5ccc(CN6CC
    (F)C6)cc5c(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)
    C(=C1O)C(N)=O; CN(C)[C@H]1[C@@H]2C[C@@H]
    3Cc4cc5ccc(cc5c(c4C(=O)C3=C([C@@]2(C(=O)
    C(=C1O)C(=O)N)O)O)O)CN6CC(C6)F; CN(C)[CH
    ]1[CH]2C[CH]3Cc4cc5ccc(CN6CC(F)C6)cc5c(O
    )c4C(=O)C3=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O    		 Pentacycline;
    (4S,4aS,5aR,14aS)-4-(dimethylamino)-10-[(3-fluoranylazetidin-1-yl)methyl]-3,12,14,14a-tetrakis(oxidanyl)-1,13-bis(oxidanylidene)-4a,5,5a,6-tetrahydro-4H-pentacene-2-carboxamide;
    Pentacycline TP-038
    31960
    P8G    		 1 C25 H40 N6 O16 InChI=1S/C25H40N6O16/c1-4
    2-25-20(41)22(16(37)13(6-
    34)47-25)44-8-10-3-31(29-
    27-10)24-19(40)21(15(36)1
    2(5-33)46-24)43-7-9-2-30(
    28-26-9)23-18(39)17(38)14
    (35)11(4-32)45-23/h2-3,11
    -25,32-41H,4-8H2,1H3/t11-
    ,12-,13-,14+,15+,16+,17+,
    18-,19-,20-,21+,22+,23-,2
    4-,25-/m1/s1;
    ZQXDLGAORGHMLS-LZGLEUEQSA-N    		 CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(
    nn2)[C@@H]3O[C@H](CO)[C@H](O)[C@H](OCc4c
    n(nn4)[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[
    C@H]5O)[C@H]3O)[C@H]1O; COC1C(C(C(C(O1)C
    O)O)OCc2cn(nn2)C3C(C(C(C(O3)CO)O)OCc4cn(
    nn4)C5C(C(C(C(O5)CO)O)O)O)O)O; CO[C@H]1[
    C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2cn(n
    n2)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)
    O)OCc4cn(nn4)[C@H]5[C@@H]([C@H]([C@H]([C
    @H](O5)CO)O)O)O)O)O; CO[CH]1O[CH](CO)[CH
    ](O)[CH](OCc2cn(nn2)[CH]3O[CH](CO)[CH](O
    )[CH](OCc4cn(nn4)[CH]5O[CH](CO)[CH](O)[C
    H](O)[CH]5O)[CH]3O)[CH]1O    		 (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]oxane-3,4,5-triol
    31961
    P8H
    CHEMBL1235119
    ZINC000048551259    		 2 C15 H20 Br N3 O InChI=1S/C15H20BrN3O/c16-
    13-9-12(10-17-11-13)15(20
    )19-7-3-14(4-8-19)18-5-1-
    2-6-18/h9-11,14H,1-8H2;
    CQERVFFAOOUFEQ-UHFFFAOYSA-N    		 c1c(cncc1Br)C(=O)N2CCC(CC2)N3CCCC3; Brc1
    cncc(c1)C(=O)N2CCC(CC2)N3CCCC3; Brc1cc(c
    nc1)C(=O)N3CCC(N2CCCC2)CC3    		 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine
    31962
    P8J    		 1 C16 H27 N3 O11 InChI=1S/C16H27N3O11/c1-2
    7-16-13(26)14(10(23)8(4-2
    1)30-16)28-5-6-2-19(18-17
    -6)15-12(25)11(24)9(22)7(
    3-20)29-15/h2,7-16,20-26H
    ,3-5H2,1H3/t7-,8-,9+,10+,
    11+,12-,13-,14+,15-,16-/m
    1/s1;
    KDTWYQHAYRRJMY-JEECUGMMSA-N    		 CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(
    nn2)[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@
    H]3O)[C@H]1O; COC1C(C(C(C(O1)CO)O)OCc2cn
    (nn2)C3C(C(C(C(O3)CO)O)O)O)O; c2c(COC1C(
    C(OC)OC(CO)C1O)O)nnn2C3C(C(C(C(CO)O3)O)O
    )O; CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)
    CO)O)OCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@H]
    ([C@H](O3)CO)O)O)O)O; CO[CH]1O[CH](CO)[C
    H](O)[CH](OCc2cn(nn2)[CH]3O[CH](CO)[CH](
    O)[CH](O)[CH]3O)[CH]1O    		 methyl 3-O-[(1-beta-D-galactopyranosyl-1H-1,2,3-triazol-4-yl)methyl]-beta-D-galactopyranoside
    31963
    P8K    		 8 C14 H31 O3 P InChI=1S/C14H31O3P/c1-3-5
    -7-9-10-11-13-17-18(15,16
    )14-12-8-6-4-2/h3-14H2,1-
    2H3,(H,15,16);
    ITXAFDXPCLYZIG-UHFFFAOYSA-N    		 CCCCCCCCO[P](O)(=O)CCCCCC; CCCCCCCCOP(=O
    )(CCCCCC)O    		 hexyl(octoxy)phosphinic acid
    31964
    P8L    		 3 C24 H42 N3 O8 S InChI=1S/C24H40N3O8S/c1-1
    4(2)10-19(27-24(31)35-13-
    17-11-18(17)15-6-4-3-5-7-
    15)22(29)26-20(23(30)36(3
    2,33)34)12-16-8-9-25-21(1
    6)28/h14-20,23,30H,3-13H2
    ,1-2H3,(H3-2,25,26,27,28,
    29,31,32,33,34)/q-1/p+2/t
    16-,17+,18+,19-,20-,23+/m
    0/s1;
    BNNIGFVXMNVYNU-HUWCRECTSA-P    		 CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)[S+](=O)(
    O)O)NC(=O)OCC2CC2C3CCCCC3; CC(C)C[C@@H](
    C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)[S+
    ](=O)(O)O)NC(=O)OC[C@H]2C[C@@H]2C3CCCCC3
    ; CC(C)C[CH](NC(=O)OC[CH]1C[CH]1C2CCCCC2
    )C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)
    (O)=O; CC(C)C[C@H](NC(=O)OC[C@H]1C[C@@H]
    1C2CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[
    C@H](O)[S+](O)(O)=O    		 [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
    31965
    P8M
    CHEMBL4782843    		 6 C31 H28 F2 N4 O4 S2 InChI=1S/C31H28F2N4O4S2/c
    32-24-11-10-22(16-21(24)9
    -7-18-3-1-2-4-18)29-23(13
    -20-8-12-28(25(33)14-20)4
    3(34,40)41)27(15-19-5-6-1
    9)37(36-29)31-35-26(17-42
    -31)30(38)39/h8,10-12,14,
    16-19H,1-6,13,15H2,(H,38,
    39)(H2,34,40,41);
    KTCLNOGFWLXRFB-UHFFFAOYSA-N    		 c1cc(c(cc1Cc2c(n(nc2c3ccc(c(c3)C#CC4CCCC
    4)F)c5nc(cs5)C(=O)O)CC6CC6)F)S(=O)(=O)N;
    C(c2c(Cc1cc(c(S(N)(=O)=O)cc1)F)c(nn2c3s
    cc(n3)C(O)=O)c4ccc(c(c4)C#CC5CCCC5)F)C6C
    C6; N[S](=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2c
    4ccc(F)c(c4)C#CC5CCCC5)c6scc(n6)C(O)=O)c
    c1F    		 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid
    31966
    P8N
    CHEMBL5179492    		 1 C29 H27 Cl N6 O3 S InChI=1S/C29H27ClN6O3S/c1
    -16-17(2)40-29-26(16)27(2
    1-9-11-22(30)12-10-21)32-
    23(28-34-33-18(3)36(28)29
    )14-25(38)31-15-20-6-4-19
    (5-7-20)8-13-24(37)35-39/
    h4-13,23,39H,14-15H2,1-3H
    3,(H,31,38)(H,35,37)/b13-
    8+/t23-/m0/s1;
    VXVJYUDHNXUFIO-NWMLYGLHSA-N    		 Cc1sc2n3c(C)nnc3[CH](CC(=O)NCc4ccc(C=CC(
    =O)NO)cc4)N=C(c5ccc(Cl)cc5)c2c1C; Cc1c(s
    c-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCc4ccc(cc4
    )C=CC(=O)NO)c5ccc(cc5)Cl)C; Cc1c(sc-2c1C
    (=N[C@H](c3n2c(nn3)C)CC(=O)NCc4ccc(cc4)/
    C=C/C(=O)NO)c5ccc(cc5)Cl)C; Cc1sc2n3c(C)
    nnc3[C@H](CC(=O)NCc4ccc(/C=C/C(=O)NO)cc4
    )N=C(c5ccc(Cl)cc5)c2c1C    		 (~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide;
    TW22
    31967
    P8O
    CHEMBL5276842    		 2 C24 H22 F3 N7 S InChI=1S/C24H22F3N7S/c25-
    24(26,27)19-16(6-3-9-29-1
    9)35-17-13-30-20-21(31-17
    )33-22(32-20)34-10-7-23(8
    -11-34)12-14-4-1-2-5-15(1
    4)18(23)28/h1-6,9,13,18H,
    7-8,10-12,28H2,(H,30,31,3
    2,33)/t18-/m1/s1;
    REEKVEYVOMDHAS-GOSISDBHSA-N    		 c1ccc2c(c1)CC3(C2N)CCN(CC3)c4[nH]c5c(n4)
    ncc(n5)Sc6cccnc6C(F)(F)F; N[C@@H]1c2cccc
    c2CC13CCN(CC3)c4[nH]c5nc(Sc6cccnc6C(F)(F
    )F)cnc5n4; c1ccc2c(c1)CC3([C@@H]2N)CCN(C
    C3)c4[nH]c5c(n4)ncc(n5)Sc6cccnc6C(F)(F)F
    ; N[CH]1c2ccccc2CC13CCN(CC3)c4[nH]c5nc(S
    c6cccnc6C(F)(F)F)cnc5n4    		 (1~{S})-1'-[5-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-3~{H}-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
    31968
    P8P
    CHEMBL191055    		 1 C19 H38 O11 P2 InChI=1S/C19H38O11P2/c1-3
    -5-7-9-11-13-18(20)27-15-
    17(16-28-32(25,26)30-31(2
    2,23)24)29-19(21)14-12-10
    -8-6-4-2/h17H,3-16H2,1-2H
    3,(H,25,26)(H2,22,23,24)/
    t17-/m1/s1;
    MBDSUZSCJLRKPC-QGZVFWFLSA-N    		 CCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)O)OC(
    =O)CCCCCCC; O=P(O)(O)OP(=O)(OCC(OC(=O)CC
    CCCCC)COC(=O)CCCCCCC)O; CCCCCCCC(=O)OC[C
    H](CO[P](O)(=O)O[P](O)(O)=O)OC(=O)CCCCCC
    C; CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OP(
    =O)(O)O)OC(=O)CCCCCCC; CCCCCCCC(=O)OC[C@
    H](CO[P](O)(=O)O[P](O)(O)=O)OC(=O)CCCCCC
    C    		 (2R)-3-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate;
    dioctanoylglycerol pyrophosphate
    31969
    P8Q
    CHEMBL5187070    		 1 C33 H36 Cl N7 O4 S InChI=1S/C33H36ClN7O4S/c1
    -19-20(2)46-33-30(19)31(2
    2-10-12-23(34)13-11-22)37
    -26(32-39-38-21(3)41(32)3
    3)18-29(44)36-25-16-14-24
    (15-17-25)35-27(42)8-6-4-
    5-7-9-28(43)40-45/h10-17,
    26,45H,4-9,18H2,1-3H3,(H,
    35,42)(H,36,44)(H,40,43)/
    t26-/m0/s1;
    CKKMTTRRFWJCCL-SANMLTNESA-N    		 Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)N
    c4ccc(cc4)NC(=O)CCCCCCC(=O)NO)c5ccc(cc5)
    Cl)C; Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O
    )Nc4ccc(cc4)NC(=O)CCCCCCC(=O)NO)c5ccc(cc
    5)Cl)C; Cc1sc2n3c(C)nnc3[CH](CC(=O)Nc4cc
    c(NC(=O)CCCCCCC(=O)NO)cc4)N=C(c5ccc(Cl)c
    c5)c2c1C; Cc1sc2n3c(C)nnc3[C@H](CC(=O)Nc
    4ccc(NC(=O)CCCCCCC(=O)NO)cc4)N=C(c5ccc(C
    l)cc5)c2c1C    		 (S)-N1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-N8-hydroxyoctanediamide;
    TW12
    31970
    P8R    		 0 C24 H50 O12 InChI=1S/C24H50O12/c1-25-
    3-5-27-7-9-29-11-13-31-15
    -17-33-19-21-35-23-24-36-
    22-20-34-18-16-32-14-12-3
    0-10-8-28-6-4-26-2/h3-24H
    2,1-2H3;
    WIQLMXVAXHHJSM-UHFFFAOYSA-N    		 COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC 1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
    31971
    P8S
    CHEMBL1876554
    ZINC000038141428    		 4 C8 H F17 O3 S InChI=1S/C8HF17O3S/c9-1(1
    0,3(13,14)5(17,18)7(21,22
    )23)2(11,12)4(15,16)6(19,
    20)8(24,25)29(26,27)28/h(
    H,26,27,28);
    YFSUTJLHUFNCNZ-UHFFFAOYSA-N    		 O[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)
    C(F)(F)C(F)(F)C(F)(F)C(F)(F)F; C(C(C(C(C
    (F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F
    )(F)F)(F)F)(F)F)(F)F; FC(F)(C(F)(F)S(=O)
    (=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F
    )C(F)(F)F    		 heptadecafluoro-1-octanesulfonic acid;
    perfluorooctane sulfonate
    31972
    P8T
    CHEMBL5197137    		 1 C32 H28 Cl N7 O2 S InChI=1S/C32H28ClN7O2S/c1
    -17-18(2)43-32-28(17)29(2
    0-8-12-22(33)13-9-20)36-2
    6(30-39-38-19(3)40(30)32)
    16-27(41)35-23-14-10-21(1
    1-15-23)31(42)37-25-7-5-4
    -6-24(25)34/h4-15,26H,16,
    34H2,1-3H3,(H,35,41)(H,37
    ,42)/t26-/m0/s1;
    GGZYNJKDGRBRKG-SANMLTNESA-N    		 Cc1sc2n3c(C)nnc3[C@H](CC(=O)Nc4ccc(cc4)C
    (=O)Nc5ccccc5N)N=C(c6ccc(Cl)cc6)c2c1C; C
    c1sc2n3c(C)nnc3[CH](CC(=O)Nc4ccc(cc4)C(=
    O)Nc5ccccc5N)N=C(c6ccc(Cl)cc6)c2c1C; Cc1
    c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)Nc4ccc(c
    c4)C(=O)Nc5ccccc5N)c6ccc(cc6)Cl)C; Cc1c(
    sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc
    (cc4)C(=O)Nc5ccccc5N)c6ccc(cc6)Cl)C    		 ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide;
    TW9
    31973
    P8U    		 2 C24 H42 N3 O8 S InChI=1S/C24H40N3O8S/c1-1
    4(2)10-19(27-24(31)35-13-
    17-11-18(17)15-6-4-3-5-7-
    15)22(29)26-20(23(30)36(3
    2,33)34)12-16-8-9-25-21(1
    6)28/h14-20,23,30H,3-13H2
    ,1-2H3,(H3-2,25,26,27,28,
    29,31,32,33,34)/q-1/p+2/t
    16-,17+,18+,19-,20-,23-/m
    0/s1;
    BNNIGFVXMNVYNU-MWOXCZGJSA-P    		 CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=
    O)[C@@H](O)[S+](=O)(O)O)NC(=O)OC[C@H]2C[
    C@@H]2C3CCCCC3; CC(C)CC(C(=O)NC(CC1CCNC1
    =O)C(O)[S+](=O)(O)O)NC(=O)OCC2CC2C3CCCCC
    3; CC(C)C[C@H](NC(=O)OC[C@H]1C[C@@H]1C2C
    CCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H
    ](O)[S+](O)(O)=O; CC(C)C[CH](NC(=O)OC[CH
    ]1C[CH]1C2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=
    O)[CH](O)[S+](O)(O)=O    		 [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
    31974
    P8V
    CHEMBL4753379    		 4 C31 H25 F N4 O4 S3 InChI=1S/C31H25FN4O4S3/c1
    -18-5-10-23(42-18)11-8-19
    -3-2-4-22(13-19)29-24(14-
    21-9-12-28(25(32)15-21)43
    (33,39)40)27(16-20-6-7-20
    )36(35-29)31-34-26(17-41-
    31)30(37)38/h2-5,9-10,12-
    13,15,17,20H,6-7,14,16H2,
    1H3,(H,37,38)(H2,33,39,40
    );
    LZIKVHXLVMNROK-UHFFFAOYSA-N    		 C(c1ccc(C)s1)#Cc2cccc(c2)c3nn(c(c3Cc4cc(
    c(S(N)(=O)=O)cc4)F)CC5CC5)c6nc(cs6)C(O)=
    O; Cc1ccc(s1)C#Cc2cccc(c2)c3c(c(n(n3)c4n
    c(cs4)C(=O)O)CC5CC5)Cc6ccc(c(c6)F)S(=O)(
    =O)N; Cc1sc(cc1)C#Cc2cccc(c2)c3nn(c4scc(
    n4)C(O)=O)c(CC5CC5)c3Cc6ccc(c(F)c6)[S](N
    )(=O)=O    		 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
    31975
    P8W
    CHEMBL4633192    		 2 C19 H19 N3 O InChI=1S/C19H19N3O/c1-14-
    18(13-21-22(2)19(14)23)20
    -12-16-10-6-7-11-17(16)15
    -8-4-3-5-9-15/h3-11,13,20
    H,12H2,1-2H3;
    JLOICACPNWZYGI-UHFFFAOYSA-N    		 CC1=C(C=NN(C1=O)C)NCc2ccccc2c3ccccc3; CN
    1N=CC(=C(C)C1=O)NCc2ccccc2c3ccccc3    		 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one;
    Biphenyl-methylamino-dimethylpyridazinone
    31976
    P8X
    ZINC000263620702    		 1 C44 H58 N4 O14 InChI=1S/C44H58N4O14/c1-2
    1-37-24(10-13-32(53)54)40
    (2,3)28(46-37)17-26-22(8-
    11-30(49)50)42(5,19-35(59
    )60)29(45-26)18-27-23(9-1
    2-31(51)52)43(6,20-36(61)
    62)44(7,48-27)39-25(16-34
    (57)58)41(4,38(21)47-39)1
    5-14-33(55)56/h17-18,21-2
    3,25,39,48H,8-16,19-20H2,
    1-7H3,(H,49,50)(H,51,52)(
    H,53,54)(H,55,56)(H,57,58
    )(H,59,60)(H,61,62)/b26-1
    7-,27-18-/t21-,22-,23-,25
    +,39-,41-,42+,43+,44+/m1/
    s1;
    LIJKCTVSMYEQAC-IBWMGOEXSA-N    		 CC1C2=C(C(C(=N2)C=C3C(C(C(=N3)C=C4C(C(C(
    N4)(C5C(C(C1=N5)(C)CCC(=O)O)CC(=O)O)C)(C
    )CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)(C
    )C)CCC(=O)O; C[C@@H]1C2=C(CCC(O)=O)C(C)(
    C)C(=N2)/C=C/3N=C(/C=C/4N[C@@](C)([C@@H]
    5N=C1[C@](C)(CCC(O)=O)[C@H]5CC(O)=O)[C@@
    ](C)(CC(O)=O)[C@@H]/4CCC(O)=O)[C@@](C)(C
    C(O)=O)[C@@H]/3CCC(O)=O; C[CH]1C2=C(CCC(
    O)=O)C(C)(C)C(=N2)C=C3N=C(C=C4N[C](C)([C
    H]5N=C1[C](C)(CCC(O)=O)[CH]5CC(O)=O)[C](
    C)(CC(O)=O)[CH]4CCC(O)=O)[C](C)(CC(O)=O)
    [CH]3CCC(O)=O; C[C@@H]1C2=C(C(C(=N2)/C=C
    \3/[C@H]([C@](C(=N3)/C=C\4/[C@H]([C@]([C
    @@](N4)([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(
    =O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)(C)CC
    (=O)O)CCC(=O)O)(C)C)CCC(=O)O    		 DESMETHYL-HBA
    31977
    P8Y    		 2 C12 H25 N O5 S InChI=1S/C12H25NO5S/c1-8(
    2)4-3-5-19(17,18)7-9-11(1
    5)12(16)10(14)6-13-9/h8-1
    6H,3-7H2,1-2H3/t9-,10-,11
    +,12+/m1/s1;
    MIGRFAIIVQTLPR-WYUUTHIRSA-N    		 CC(C)CCCS(=O)(=O)C[C@@H]1[C@@H]([C@H]([C
    @@H](CN1)O)O)O; C(CS(CC1NCC(C(C1O)O)O)(=
    O)=O)CC(C)C; CC(C)CCC[S](=O)(=O)C[CH]1NC
    [CH](O)[CH](O)[CH]1O; CC(C)CCC[S](=O)(=O
    )C[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O; CC(C
    )CCCS(=O)(=O)CC1C(C(C(CN1)O)O)O    		 (2S,3S,4S,5R)-2-{[(4-methylpentyl)sulfonyl]methyl}piperidine-3,4,5-triol
    31978
    P8Z
    CHEMBL4648548    		 1 C18 H25 N5 O InChI=1S/C18H25N5O/c1-14-
    16(13-20-22(3)18(14)24)19
    -12-15-6-4-5-7-17(15)23-1
    0-8-21(2)9-11-23/h4-7,13,
    19H,8-12H2,1-3H3;
    HONYBLSJNSYWKQ-UHFFFAOYSA-N    		 CC1=C(C=NN(C1=O)C)NCc2ccccc2N3CCN(CC3)C;
    CN1CCN(CC1)c2ccccc2CNC3=C(C)C(=O)N(C)N=
    C3    		 2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one;
    dimethyl-methylpiperazinyl-benzyl-aminopyridazinone
    31979
    P90
    DB04285
    ZINC000014881165    		 4 C31 H25 F2 N4 O3 P S InChI=1S/C31H25F2N4O3PS/c
    32-31(33,41(38,39)40)24-1
    8-16-23(17-19-24)21-30(20
    -8-11-22-9-2-1-3-10-22,29
    -34-26-13-5-7-15-28(26)42
    -29)37-27-14-6-4-12-25(27
    )35-36-37/h1-19H,20-21H2,
    (H2,38,39,40)/b11-8+/t30-
    /m1/s1;
    GBLDYRVJENYQNH-AGLOJYHOSA-N    		 c1ccc(cc1)\C=C\C[C@@](Cc2ccc(cc2)C(F)(F)
    P(=O)(O)O)(c3nc4ccccc4s3)n5c6ccccc6nn5;
    FC(F)(c1ccc(cc1)CC(c2nc3ccccc3s2)(n5nnc4
    ccccc45)C\C=C\c6ccccc6)P(=O)(O)O; O[P](O
    )(=O)C(F)(F)c1ccc(C[C@@](C\C=C\c2ccccc2)
    (n3nnc4ccccc34)c5sc6ccccc6n5)cc1; c1ccc(
    cc1)C=CCC(Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(c
    3nc4ccccc4s3)n5c6ccccc6nn5; O[P](O)(=O)C
    (F)(F)c1ccc(C[C](CC=Cc2ccccc2)(n3nnc4ccc
    cc34)c5sc6ccccc6n5)cc1    		 {4-[(2S,4E)-2-(1,3-BENZOTHIAZOL-2-YL)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-5-PHENYLPENT-4-ENYL]PHENYL}(DIFLUORO)METHYLPHOSPHONIC ACID
    31980
    P91
    DB08365
    ZINC000038256084    		 1 C20 H15 Br Cl N3 O4 InChI=1S/C20H15BrClN3O4/c
    1-25-12-8-10(9-4-2-3-5-11
    (9)22)13-15(19(28)24-18(1
    3)27)14(12)16(21)17(25)20
    (29)23-6-7-26/h2-5,8,26H,
    6-7H2,1H3,(H,23,29)(H,24,
    27,28);
    XUAHLMVOYLUYSB-UHFFFAOYSA-N    		 Clc4ccccc4c2c1C(=O)NC(=O)c1c3c(c2)n(c(c3
    Br)C(=O)NCCO)C; Cn1c2cc(c3c(c2c(c1C(=O)N
    CCO)Br)C(=O)NC3=O)c4ccccc4Cl; Cn1c2cc(c3
    ccccc3Cl)c4C(=O)NC(=O)c4c2c(Br)c1C(=O)NC
    CO    		 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide
    31981
    P92
    CHEMBL113414
    ZINC000012341569    		 1 C7 H5 N O S InChI=1S/C7H5NOS/c10-7-8-
    5-3-1-2-4-6(5)9-7/h1-4H,(
    H,8,10);
    FLFWJIBUZQARMD-UHFFFAOYSA-N    		 S=C1Nc2ccccc2O1; c1ccc2c(c1)NC(=S)O2 3~{H}-1,3-benzoxazole-2-thione
    31982
    P93    		 1 C10 H14 N2 O2 InChI=1S/C10H14N2O2/c13-1
    0(12-4-1-2-5-12)11-7-9-3-
    6-14-8-9/h3,6,8H,1-2,4-5,
    7H2,(H,11,13);
    ONGBBTQZWYAQQB-UHFFFAOYSA-N    		 O=C(NCc1cocc1)N2CCCC2; O=C(N1CCCC1)NCc2c
    occ2; c1cocc1CNC(=O)N2CCCC2    		 N-[(furan-3-yl)methyl]pyrrolidine-1-carboxamide
    31983
    P94
    CHEMBL4062164    		 6 C19 H18 N4 InChI=1S/C19H18N4/c20-12-
    15-3-1-14(2-4-15)9-10-22-
    13-16-5-6-17-7-8-19(21)23
    -18(17)11-16/h1-8,11,22H,
    9-10,13H2,(H2,21,23);
    CDHZAJGZCBJOTB-UHFFFAOYSA-N    		 c1cc(ccc1CCNCc2ccc3ccc(nc3c2)N)C#N; N#Cc
    3ccc(CCNCc1cc2c(cc1)ccc(N)n2)cc3; Nc1ccc
    2ccc(CNCCc3ccc(cc3)C#N)cc2n1    		 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile
    31984
    P95
    CHEMBL4574762    		 1 C16 H10 N6 O2 S2 InChI=1S/C16H10N6O2S2/c23
    -12(22-16-18-4-1-5-19-16)
    9-3-7-25-14(9)21-13(24)15
    -20-10-8-17-6-2-11(10)26-
    15/h1-8H,(H,21,24)(H,18,1
    9,22,23);
    AJCHWWGZVVPQDY-UHFFFAOYSA-N    		 c1cnc(nc1)NC(=O)c2ccsc2NC(=O)c3nc4cnccc4
    s3; O=C(Nc1sccc1C(=O)Nc2ncccn2)c3sc4ccnc
    c4n3    		 ~{N}-[3-(pyrimidin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
    31985
    P96
    CHEMBL4170894
    ZINC000095631304    		 2 C25 H32 I N3 O InChI=1S/C25H32IN3O/c1-3-
    29(4-2)23-12-15-28(16-13-
    23)19-21-17-20(18-24(26)2
    5(21)30)9-8-14-27-22-10-6
    -5-7-11-22/h5-7,10-11,17-
    18,23,27,30H,3-4,12-16,19
    H2,1-2H3;
    IZUZDXSTWPMHFT-UHFFFAOYSA-N    		 CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCNc3c
    cccc3; Ic2c(O)c(cc(C#CCNc1ccccc1)c2)CN3C
    CC(N(CC)CC)CC3; CCN(CC)C1CCN(CC1)Cc2cc(c
    c(I)c2O)C#CCNc3ccccc3    		 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol
    31986
    P97
    ZINC000095920845    		 1 C20 H23 Cl N4 O2 InChI=1S/C20H23ClN4O2/c21
    -16-8-9-23-12-15(16)13-24
    -19(26)18-7-4-10-25(18)20
    (27)17(22)11-14-5-2-1-3-6
    -14/h1-3,5-6,8-9,12,17-18
    H,4,7,10-11,13,22H2,(H,24
    ,26)/t17-,18+/m1/s1;
    ZRBVLANXQQYBLM-MSOLQXFVSA-N    		 c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NC
    c3cnccc3Cl)N; c1ccc(cc1)CC(C(=O)N2CCCC2C
    (=O)NCc3cnccc3Cl)N; N[CH](Cc1ccccc1)C(=O
    )N2CCC[CH]2C(=O)NCc3cnccc3Cl; N[C@H](Cc1
    ccccc1)C(=O)N2CCC[C@H]2C(=O)NCc3cnccc3Cl
    ; O=C(NCc1c(Cl)ccnc1)C3N(C(=O)C(N)Cc2ccc
    cc2)CCC3    		 D-phenylalanyl-N-[(4-chloropyridin-3-yl)methyl]-L-prolinamide
    31987
    P98
    CHEMBL3091492
    ZINC000095921005    		 2 C26 H23 N3 O InChI=1S/C26H23N3O/c1-18(
    2)26-28-24-15-14-22(16-25
    (24)29(26)21-9-4-3-5-10-2
    1)30-17-20-13-12-19-8-6-7
    -11-23(19)27-20/h3-16,18H
    ,17H2,1-2H3;
    DUSPRZSUFQRSKK-UHFFFAOYSA-N    		 CC(C)c1nc2ccc(cc2n1c3ccccc3)OCc4ccc5cccc
    c5n4; CC(C)c1nc2ccc(OCc3ccc4ccccc4n3)cc2
    n1c5ccccc5; n4c3ccc(OCc1nc2c(cc1)cccc2)c
    c3n(c4C(C)C)c5ccccc5    		 2-({[1-phenyl-2-(propan-2-yl)-1H-benzimidazol-6-yl]oxy}methyl)quinoline
    31988
    P99
    CHEMBL1097940
    ZINC000002541692    		 4 C16 H16 F2 N2 O4 S2 InChI=1S/C16H16F2N2O4S2/c
    17-13-8-11(9-14(18)16(13)
    24-10-15(19)21)25-7-6-20-
    26(22,23)12-4-2-1-3-5-12/
    h1-5,8-9,20H,6-7,10H2,(H2
    ,19,21);
    GTACSIONMHMRPD-UHFFFAOYSA-N    		 NC(=O)COc1c(F)cc(SCCN[S](=O)(=O)c2ccccc2
    )cc1F; O=S(=O)(c1ccccc1)NCCSc2cc(F)c(OCC
    (=O)N)c(F)c2; c1ccc(cc1)S(=O)(=O)NCCSc2c
    c(c(c(c2)F)OCC(=O)N)F    		 2-[2,6-difluoro-4-({2-[(phenylsulfonyl)amino]ethyl}sulfanyl)phenoxy]acetamide;
    2-[4-[2-(benzenesulfonamido)ethylsulfanyl]-2,6-difluorophenoxy]acetamide
    31989
    P9A
    CHEMBL1235122
    DB08366
    ZINC000035050252    		 1 C24 H29 N O7 InChI=1S/C24H29NO7/c1-22(
    7-6-17(28)25-18-14(26)4-3
    -13(19(18)29)21(30)31)16(
    27)5-8-24-10-12-9-15(20(2
    2)24)32-23(12,2)11-24/h3-
    4,12,15,20,26,29H,5-11H2,
    1-2H3,(H,25,28)(H,30,31)/
    t12-,15+,20+,22-,23+,24+/
    m1/s1;
    XADCWKSMHQPTGH-OFBLZTNGSA-N    		 C[C@@]12C[C@@]34CCC(=O)[C@@]([C@@H]3[C@@
    H](O1)C[C@@H]2C4)(C)CCC(=O)Nc5c(ccc(c5O)
    C(=O)O)O; C[C@]12C[C@@]34CCC(=O)[C@@](C)
    (CCC(=O)Nc5c(O)ccc(C(O)=O)c5O)[C@@H]3[C@
    H](C[C@@H]1C4)O2; CC12CC34CCC(=O)C(C3C(O
    1)CC2C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O;
    C[C]12C[C]34CCC(=O)[C](C)(CCC(=O)Nc5c(O
    )ccc(C(O)=O)c5O)[CH]3[CH](C[CH]1C4)O2; O
    =C(O)c1c(O)c(c(O)cc1)NC(=O)CCC5(C(=O)CCC
    34CC2CC(OC2(C3)C)C45)C    		 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid
    31990
    P9B
    CHEMBL316779
    ZINC000003960038    		 1 C13 H8 F5 N3 O3 S InChI=1S/C13H8F5N3O3S/c14
    -7-8(15)10(17)12(11(18)9(
    7)16)21-13(22)20-5-1-3-6(
    4-2-5)25(19,23)24/h1-4H,(
    H2,19,23,24)(H2,20,21,22);
    IOSBUNBTXXXMFG-UHFFFAOYSA-N    		 O=S(=O)(N)c2ccc(NC(=O)Nc1c(F)c(F)c(F)c(F
    )c1F)cc2; c1cc(ccc1NC(=O)Nc2c(c(c(c(c2F)
    F)F)F)F)S(=O)(=O)N; N[S](=O)(=O)c1ccc(NC
    (=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1    		 4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide
    31991
    P9C
    ZINC000058549853    		 1 C30 H33 N O7 InChI=1S/C30H33NO7/c1-28(
    11-10-23(34)31-24-20(32)9
    -8-18(25(24)35)27(36)37)2
    2(33)13-19(16-6-4-3-5-7-1
    6)30-14-17-12-21(26(28)30
    )38-29(17,2)15-30/h3-9,17
    ,19,21,26,32,35H,10-15H2,
    1-2H3,(H,31,34)(H,36,37)/
    t17-,19-,21+,26+,28-,29+,
    30+/m1/s1;
    WDRJLSQVOAFEDA-ZORPPZNDSA-N    		 C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](
    C(=O)C[C@@H]4c5ccccc5)(C)CCC(=O)Nc6c(ccc
    (c6O)C(=O)O)O)O2; C[C@]12C[C@]34C[C@H]1C
    [C@H](O2)[C@H]3[C@](C)(CCC(=O)Nc5c(O)ccc
    (C(O)=O)c5O)C(=O)C[C@@H]4c6ccccc6; CC12C
    C34CC1CC(C3C(C(=O)CC4c5ccccc5)(C)CCC(=O)
    Nc6c(ccc(c6O)C(=O)O)O)O2; O=C(O)c1c(O)c(
    c(O)cc1)NC(=O)CCC3(C(=O)CC(c2ccccc2)C46C
    3C5OC(C)(C4)C(C5)C6)C; C[C]12C[C]34C[CH]
    1C[CH](O2)[CH]3[C](C)(CCC(=O)Nc5c(O)ccc(
    C(O)=O)c5O)C(=O)C[CH]4c6ccccc6    		 3-({3-[(1S,4S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-4-phenyldecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid
    31992
    P9D
    CHEMBL394052    		 3 C31 H39 N11 O6 S InChI=1S/C31H39N11O6S/c1-
    31(2,3)22-18-49-29(33-22)
    35-27(45)19-10-13-41-24(1
    5-19)34-26(21(28(41)46)8-
    9-23-36-38-39-37-23)40-12
    -6-7-20(16-40)48-30(47)32
    -11-14-42(4,5)17-25(43)44
    /h8-10,13,15,18,20H,6-7,1
    1-12,14,16-17H2,1-5H3,(H3
    -,32,33,35,36,37,38,39,43
    ,44,45,47)/t20-/m1/s1;
    RVJNIKFVEAWLQC-HXUWFJFHSA-N    		 CC(C)(C)c1csc(n1)NC(=O)C2=CC3=NC(=C(C(=O
    )N3C=C2)C=Cc4[nH]nnn4)N5CCCC(C5)OC(=O)NC
    C[N+](C)(C)CC(=O)[O-]; CC(C)(C)c1csc(NC(
    =O)C2=CC3=NC(=C(\C=C\c4[nH]nnn4)C(=O)N3C
    =C2)N5CCC[C@H](C5)OC(=O)NCC[N+](C)(C)CC(
    [O-])=O)n1; CC(C)(C)c1csc(n1)NC(=O)C2=CC
    3=NC(=C(C(=O)N3C=C2)/C=C/c4[nH]nnn4)N5CC
    C[C@H](C5)OC(=O)NCC[N+](C)(C)CC(=O)[O-];
    O=C(Nc1nc(cs1)C(C)(C)C)C5=CC4=NC(N2CCCC
    (OC(=O)NCC[N+](CC([O-])=O)(C)C)C2)=C(\C=
    C\c3nnnn3)C(=O)N4C=C5; CC(C)(C)c1csc(NC(
    =O)C2=CC3=NC(=C(C=Cc4[nH]nnn4)C(=O)N3C=C
    2)N5CCC[CH](C5)OC(=O)NCC[N+](C)(C)CC([O-
    ])=O)n1    		 [{2-[({[(3R)-1-{8-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-4-oxo-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidin-3-yl]oxy}carbonyl)amino]ethyl}(dimethyl)ammonio]acetate
    31993
    P9E
    ZINC000034925135    		 2 C7 H6 N2 O3 S2 InChI=1S/C7H6N2O3S2/c8-14
    (10,11)4-1-2-6-5(3-4)9-7(
    13)12-6/h1-3H,(H,9,13)(H2
    ,8,10,11);
    SCMGHROIQYCXRC-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc2OC(=S)Nc2c1; c1cc2c(cc
    1S(=O)(=O)N)NC(=S)O2    		 2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide
    31994
    P9F    		 1 C25 H29 Cl N2 O5 InChI=1S/C25H29ClN2O5/c26
    -19-11-13-20(14-12-19)33-
    25(32)28-21(15-17-7-3-1-4
    -8-17)23(29)27-22(24(30)3
    1)16-18-9-5-2-6-10-18/h2,
    5-6,9-14,17,21-22H,1,3-4,
    7-8,15-16H2,(H,27,29)(H,2
    8,32)(H,30,31)/t21-,22-/m
    0/s1;
    XQAHEQBJBQAMLZ-VXKWHMMOSA-N    		 c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@H](CC2
    CCCCC2)NC(=O)Oc3ccc(cc3)Cl; OC(=O)[CH](C
    c1ccccc1)NC(=O)[CH](CC2CCCCC2)NC(=O)Oc3c
    cc(Cl)cc3; c1ccc(cc1)CC(C(=O)O)NC(=O)C(C
    C2CCCCC2)NC(=O)Oc3ccc(cc3)Cl; OC(=O)[C@H
    ](Cc1ccccc1)NC(=O)[C@H](CC2CCCCC2)NC(=O)
    Oc3ccc(Cl)cc3    		 (2S)-2-[[(2S)-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid;
    (2~{S})-2-[[(2~{S})-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid
    31995
    P9G    		 0 C23 H27 N8 O7 P Pt InChI=1S/C13H9N.C10H14N5O
    7P.2H2N.Pt/c1-2-6-11-10(5
    -1)9-14-13-8-4-3-7-12(11)
    13;11-10-13-8-7(9(17)14-1
    0)12-3-15(8)6-1-4(16)5(22
    -6)2-21-23(18,19)20;;;/h1
    -9H;3-6,16H,1-2H2,(H2,18,
    19,20)(H3,11,13,14,17);2*
    1H2;/q;;2*-1;+2/t;4-,5+,6
    +;;;/m.0.../s1;
    ZHXCYGVJRWIEAF-LKLUREFCSA-N    		 C1C(C(OC1N2C=[N](C3=C2N=C(NC3=O)N)[Pt](N
    )(N)[N]4=C5C=CC=CC5=C6C=CC=CC6=C4)COP(=O
    )(O)O)O; O=P(O)(O)OCC6OC(n2cn(c1c2N=C(N)
    NC1=O)[Pt](N)(N)n5c3ccccc3c4ccccc4c5)CC6
    O; N[Pt](N)(|n1cc2ccccc2c3ccccc13)|n4cn(
    [C@H]5C[C@H](O)[C@@H](CO[P](O)(O)=O)O5)c
    6nc(N)[nH]c(=O)c46; C1[C@@H]([C@H](O[C@H
    ]1N2C=[N](C3=C2N=C(NC3=O)N)[Pt](N)(N)[N]
    4=C5C=CC=CC5=C6C=CC=CC6=C4)COP(=O)(O)O)O
    ; N[Pt](N)(|n1cc2ccccc2c3ccccc13)|n4cn([
    CH]5C[CH](O)[CH](CO[P](O)(O)=O)O5)c6nc(N
    )[nH]c(=O)c46    		 diamino(2'-deoxy-5'-guanylic acid-kappaN~8~)(phenanthridine)platinum
    31996
    P9H    		 4 C19 H25 N3 O7 S InChI=1S/C19H25N3O7S/c20-
    13(19(28)29)6-7-16(24)22-
    14(18(27)21-10-17(25)26)1
    1-30-15(8-9-23)12-4-2-1-3
    -5-12/h1-5,9,13-15H,6-8,1
    0-11,20H2,(H,21,27)(H,22,
    24)(H,25,26)(H,28,29)/t13
    -,14-,15+/m0/s1;
    OOFSDLPAAPKBNR-SOUVJXGZSA-N    		 c1ccc(cc1)[C@@H](CC=O)SC[C@@H](C(=O)NCC(
    =O)O)NC(=O)CC[C@@H](C(=O)O)N; N[CH](CCC(
    =O)N[CH](CS[CH](CC=O)c1ccccc1)C(=O)NCC(O
    )=O)C(O)=O; c1ccc(cc1)C(CC=O)SCC(C(=O)NC
    C(=O)O)NC(=O)CCC(C(=O)O)N; N[C@@H](CCC(=
    O)N[C@@H](CS[C@H](CC=O)c1ccccc1)C(=O)NCC
    (O)=O)C(O)=O    		 (2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-[(1~{R})-3-oxidanylidene-1-phenyl-propyl]sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid;
    Glutathionyl-cinnamaldehyde
    31997
    P9I
    ZINC000095920609    		 3 C15 H13 N2 O InChI=1S/C15H12N2O/c1-11(
    18)15-10-12(13-6-2-4-8-16
    -13)14-7-3-5-9-17(14)15/h
    2-10H,1H3/p+1;
    WOSGOHDUUBVSBO-UHFFFAOYSA-O    		 C/C(=C/1\C=C(c2[n+]1cccc2)c3ccccn3)/O; C
    C(O)=C1C=C(c2ccccn2)c3cccc[n+]13; CC(/O)
    =C/1C=C(c2ccccn2)c3cccc[n+]/13; O\C(=C2\
    C=C(c1ncccc1)c3cccc[n+]23)C; CC(=C1C=C(c
    2[n+]1cccc2)c3ccccn3)O    		 1-[1-(PYRIDIN-2-YL)INDOLIZIN-3-YL]ETHAN-1-ONE
    31998
    P9J
    CHEMBL1615165
    ZINC000043128171    		 2 C18 H15 N5 O InChI=1S/C18H15N5O/c1-12-
    11-16(21-20-12)19-17-14-9
    -5-6-10-15(14)18(24)23(22
    -17)13-7-3-2-4-8-13/h2-11
    H,1H3,(H2,19,20,21,22);
    DSDIWWSXOOXFSI-UHFFFAOYSA-N    		 Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2cccc3)c4ccc
    cc4; O=C3N(N=C(Nc1nnc(c1)C)c2ccccc23)c4c
    cccc4; Cc1[nH]nc(NC2=NN(c3ccccc3)C(=O)c4
    ccccc24)c1    		 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2H)-one
    31999
    P9K    		 4 C22 H19 F3 N6 O3 S InChI=1S/C22H19F3N6O3S/c1
    -31(35(2,33)34)18-6-4-3-5
    -13(18)11-26-20-16(22(23,
    24)25)12-27-21(30-20)28-1
    5-7-8-17-14(9-15)10-19(32
    )29-17/h3-9,11-12H,10H2,1
    -2H3,(H,29,32)(H,27,28,30
    )/b26-11+;
    MONLGZGTNBTOCO-KBKYJPHKSA-N    		 CN(c1ccccc1/C=N/c2c(cnc(n2)Nc3ccc4c(c3)C
    C(=O)N4)C(F)(F)F)S(=O)(=O)C; CN(c1ccccc1
    C=Nc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)
    [S](C)(=O)=O; CN(c1ccccc1C=Nc2c(cnc(n2)N
    c3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C    		 N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide
    32000
    P9L
    CHEMBL1950957
    ZINC000001422669    		 1 C14 H19 N3 O4 S InChI=1S/C14H19N3O4S/c1-1
    5-10-11-9-12(3-4-13(11)16
    (2)14(15)18)22(19,20)17-5
    -7-21-8-6-17/h3-4,9H,5-8,
    10H2,1-2H3;
    LFBDSGLXLXJATE-UHFFFAOYSA-N    		 CN1Cc2cc(ccc2N(C1=O)C)S(=O)(=O)N3CCOCC3;
    CN1Cc2cc(ccc2N(C)C1=O)[S](=O)(=O)N3CCOC
    C3; O=S(=O)(N1CCOCC1)c3cc2c(N(C(=O)N(C)C
    2)C)cc3    		 1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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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