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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
    30001
    NN9
    CHEMBL5268916    		 1 C14 H16 N4 O InChI=1S/C14H16N4O/c15-7-
    10-2-1-3-11(6-10)8-17-13-
    5-4-12(9-18-13)14(16)19/h
    1-6,9H,7-8,15H2,(H2,16,19
    )(H,17,18);
    WXURPGONLMDDHC-UHFFFAOYSA-N    		 c1cc(cc(c1)CNc2ccc(cn2)C(=O)N)CN; NCc1cc
    cc(CNc2ccc(cn2)C(N)=O)c1    		 6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide
    30002
    NNA
    ZINC000098209237    		 5 C36 H63 N5 O7 S InChI=1S/C36H63N5O7S/c1-1
    0-11-15-24(27(42)30(44)37
    -22-16-17-22)38-29(43)26-
    25-23(35(25,8)9)20-41(26)
    31(45)28(33(2,3)4)39-32(4
    6)40-36(18-13-12-14-19-36
    )21-49(47,48)34(5,6)7/h22
    -28,42H,10-21H2,1-9H3,(H,
    37,44)(H,38,43)(H2,39,40,
    46)/t23-,24-,25-,26-,27+,
    28+/m0/s1;
    BZXRATSZUNDEEV-FZFXNXQRSA-N    		 CCCC[CH](NC(=O)[CH]1[CH]2[CH](CN1C(=O)[C
    H](NC(=O)NC3(CCCCC3)C[S](=O)(=O)C(C)(C)C
    )C(C)(C)C)C2(C)C)[CH](O)C(=O)NC4CC4; CCC
    C[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]
    2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)
    (C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C
    ; CCCCC(C(C(=O)NC1CC1)O)NC(=O)C2C3C(C3(C
    )C)CN2C(=O)C(C(C)(C)C)NC(=O)NC4(CCCCC4)C
    S(=O)(=O)C(C)(C)C; CCCC[C@H](NC(=O)[C@@H
    ]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC3(
    CCCCC3)C[S](=O)(=O)C(C)(C)C)C(C)(C)C)C2(
    C)C)[C@@H](O)C(=O)NC4CC4; O=C(N3C(C(=O)N
    C(CCCC)C(O)C(=O)NC1CC1)C2C(C)(C2C3)C)C(N
    C(=O)NC4(CS(=O)(=O)C(C)(C)C)CCCCC4)C(C)(
    C)C    		 (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;
    Narlaprevir, bound form
    30003
    NNB
    CHEMBL191190
    DB08281
    ZINC000018415445    		 1 C17 H13 Br N2 O3 S InChI=1S/C17H13BrN2O3S/c1
    8-11-5-7-12(8-6-11)19-17(
    24)23-10-9-20-15(21)13-3-
    1-2-4-14(13)16(20)22/h1-8
    H,9-10H2,(H,19,24);
    BDVAWAILQCYMQE-UHFFFAOYSA-N    		 Brc1ccc(cc1)NC(=S)OCCN3C(=O)c2ccccc2C3=O
    ; c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(
    cc3)Br; Brc1ccc(NC(=S)OCCN2C(=O)c3ccccc3
    C2=O)cc1    		 O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate
    30004
    NNC
    CHEMBL191141
    DB08282
    ZINC000013980686    		 1 C17 H13 Cl N2 O3 S InChI=1S/C17H13ClN2O3S/c1
    8-11-5-7-12(8-6-11)19-17(
    24)23-10-9-20-15(21)13-3-
    1-2-4-14(13)16(20)22/h1-8
    H,9-10H2,(H,19,24);
    BWRRXOIACQYNEK-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc
    3)Cl; Clc1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2
    =O)cc1; Clc1ccc(cc1)NC(=S)OCCN3C(=O)c2cc
    ccc2C3=O    		 O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate
    30005
    NND
    CHEMBL408500
    DB08283
    ZINC000014253608    		 2 C15 H31 N O4 InChI=1S/C15H31NO4/c1-2-3
    -4-5-6-7-8-9-16-10-13(18)
    15(20)14(19)12(16)11-17/h
    12-15,17-20H,2-11H2,1H3/t
    12-,13+,14-,15-/m1/s1;
    FTSCEGKYKXESFF-LXTVHRRPSA-N    		 CCCCCCCCCN1CC(C(C(C1CO)O)O)O; CCCCCCCCCN
    1C[CH](O)[CH](O)[CH](O)[CH]1CO; CCCCCCCC
    CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO; C
    CCCCCCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]
    1CO)O)O)O; OCC1N(CCCCCCCCC)CC(O)C(O)C1O    		 (2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL;
    N-NONYL-DEOXYNOJIRIMYCIN
    30006
    NNE    		 2 C30 H32 Cl4 N2 O6 InChI=1S/C30H32Cl4N2O6/c1
    -5-17(3)29(39)19-9-11-21(
    27(33)25(19)31)41-15-23(3
    7)35-13-7-8-14-36-24(38)1
    6-42-22-12-10-20(26(32)28
    (22)34)30(40)18(4)6-2/h9-
    12H,3-8,13-16H2,1-2H3,(H,
    35,37)(H,36,38);
    DJUYDJABFNZJNL-UHFFFAOYSA-N    		 C=C(/C(c1ccc(c(c1Cl)Cl)OCC(=O)NCCCCNC(CO
    c2ccc(c(c2Cl)Cl)C(=O)/C(CC)=C)=O)=O)CC;
    CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)NCCCC
    NC(=O)COc2ccc(c(c2Cl)Cl)C(=O)C(=C)CC; CC
    C(=C)C(=O)c1ccc(OCC(=O)NCCCCNC(=O)COc2cc
    c(c(Cl)c2Cl)C(=O)C(=C)CC)c(Cl)c1Cl    		 N,N'-(butane-1,4-diyl)bis{2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamide}
    30007
    NNF
    ZINC000017724487    		 2 C15 H17 F N4 O InChI=1S/C15H17FN4O/c1-11
    -10-14(21)18-15(17-11)20-
    8-6-19(7-9-20)13-4-2-12(1
    6)3-5-13/h2-5,10H,6-9H2,1
    H3,(H,17,18,21);
    AGOINTKVGRVJJT-UHFFFAOYSA-N    		 Fc3ccc(N2CCN(C1=NC(=CC(=O)N1)C)CC2)cc3;
    CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(F)cc3;
    CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(cc3)F    		 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
    30008
    NNG
    ZINC000016052348    		 2 C7 H17 N O10 P2 InChI=1S/C7H17NO10P2/c1-1
    9(12,13)8-4-6(10)5(9)3(18
    -7(4)11)2-17-20(14,15)16/
    h3-7,9-11H,2H2,1H3,(H2,8,
    12,13)(H2,14,15,16)/t3-,4
    -,5-,6-,7+/m1/s1;
    YCTZDNRMKSWCHF-GKHCUFPYSA-N    		 O=P(O)(O)OCC1OC(O)C(NP(=O)(O)C)C(O)C1O;
    C[P@@](=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[
    C@@H]1O)COP(=O)(O)O)O)O)O; C[P@@](O)(=O)
    N[C@H]1[C@@H](O)O[C@H](CO[P](O)(O)=O)[C@
    @H](O)[C@@H]1O; CP(=O)(NC1C(C(C(OC1O)COP
    (=O)(O)O)O)O)O; C[P](O)(=O)N[CH]1[CH](O)
    O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O    		 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-alpha-D-glucopyranose;
    N-ACETYLPHOSPHONOAMIDATE-D-GLUCOSAMINE-6-PHOSPHATE;
    2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-alpha-D-glucose;
    2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-D-glucose;
    2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-glucose
    30009
    NNH
    CHEMBL1234777
    DB02381
    ZINC000002244322    		 11 C5 H12 N4 O3 InChI=1S/C5H12N4O3/c6-3(4
    (10)11)1-2-8-5(7)9-12/h3,
    12H,1-2,6H2,(H,10,11)(H3,
    7,8,9)/t3-/m0/s1;
    KOBHCUDVWOTEKO-VKHMYHEASA-N    		 O=C(O)C(N)CCNC(=[N@H])NO; [H]/N=C(/NCC[C
    @@H](C(=O)O)N)\NO; N[CH](CCNC(=N)NO)C(O)
    =O; [H]N=C(NCCC(C(=O)O)N)NO; N[C@@H](CCN
    C(=N)NO)C(O)=O    		 NOR-N-OMEGA-HYDROXY-L-ARGININE
    30010
    NNI
    CHEMBL191910
    DB08284
    ZINC000013644801    		 1 C17 H13 I N2 O3 S InChI=1S/C17H13IN2O3S/c18
    -11-5-7-12(8-6-11)19-17(2
    4)23-10-9-20-15(21)13-3-1
    -2-4-14(13)16(20)22/h1-8H
    ,9-10H2,(H,19,24);
    CYYIBMGIJWXZEP-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc
    3)I; Ic1ccc(cc1)NC(=S)OCCN3C(=O)c2ccccc2
    C3=O; Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=
    O)cc1    		 O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate
    30011
    NNJ
    ZINC000098209238    		 0 C7 H11 N2 InChI=1S/C7H11N2/c1-9-4-2
    -3-7(5-8)6-9/h2-4,6H,5,8H
    2,1H3/q+1;
    MNWIURYABWVSGR-UHFFFAOYSA-N    		 C[n+]1cccc(CN)c1; NCc1ccc[n+](c1)C; C[n+
    ]1cccc(c1)CN    		 3-(aminomethyl)-1-methylpyridinium
    30012
    NNK
    ZINC000044249405    		 1 C7 H11 N2 InChI=1S/C7H11N2/c1-9-4-2
    -7(6-8)3-5-9/h2-5H,6,8H2,
    1H3/q+1;
    BBCRICAXKQUDPF-UHFFFAOYSA-N    		 C[n+]1ccc(CN)cc1; NCc1cc[n+](cc1)C; C[n+
    ]1ccc(cc1)CN    		 4-(aminomethyl)-1-methylpyridinium
    30013
    NNL
    CHEMBL1234778    		 2 C14 H14 Cl N5 InChI=1S/C14H14ClN5/c1-10
    -8-13(14-18-17-9-20(14)19
    -10)16-7-6-11-2-4-12(15)5
    -3-11/h2-5,8-9,16H,6-7H2,
    1H3;
    ANMSXJNKBNFCTH-UHFFFAOYSA-N    		 Clc1ccc(cc1)CCNc2c3nncn3nc(c2)C; Cc1cc(c
    2nncn2n1)NCCc3ccc(cc3)Cl; Cc1cc(NCCc2ccc
    (Cl)cc2)c3nncn3n1    		 N-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine
    30014
    NNM    		 2 C40 H69 O4 P InChI=1S/C40H69O4P/c1-33(
    2)17-10-18-34(3)19-11-20-
    35(4)21-12-22-36(5)23-13-
    24-37(6)25-14-26-38(7)27-
    15-28-39(8)29-16-30-40(9)
    31-32-44-45(41,42)43/h40H
    ,1,3-8,10-32H2,2,9H3,(H2,
    41,42,43)/t40-/m1/s1;
    CTKMEBTWSXRRSJ-RRHRGVEJSA-N    		 C[CH](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CC
    CC(=C)CCCC(=C)CCCC(C)=C)CCO[P](O)(O)=O;
    C[C@H](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)C
    CCC(=C)CCCC(=C)CCCC(=C)C)CCOP(=O)(O)O; C
    (CCCC(=C)/CCC\C(=C)CCC/C(CCC\C(=C)CCC/C(
    CCC\C(=C)CCC\C(=C)C)=C)=C)(CCOP(O)(O)=O)
    C; CC(CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CC
    CC(=C)CCCC(=C)CCCC(=C)C)CCOP(=O)(O)O; C[
    C@H](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCC
    C(=C)CCCC(=C)CCCC(C)=C)CCO[P](O)(O)=O    		 (3R)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate
    30015
    NNN
    CHEMBL482193
    DB08285    		 2 C19 H26 N6 O InChI=1S/C19H26N6O/c1-4-1
    5(12-26)22-18-23-17-16(13
    (2)3)11-21-25(17)19(24-18
    )20-10-14-8-6-5-7-9-14/h5
    -9,11,13,15,26H,4,10,12H2
    ,1-3H3,(H2,20,22,23,24)/t
    15-/m1/s1;
    SQUNOCMDMIQIQK-OAHLLOKOSA-N    		 CC[CH](CO)Nc1nc(NCc2ccccc2)n3ncc(C(C)C)c
    3n1; CC[C@H](CO)Nc1nc(NCc2ccccc2)n3ncc(C
    (C)C)c3n1; CC[C@H](CO)Nc1nc2c(cnn2c(n1)N
    Cc3ccccc3)C(C)C; n2c1c(cnn1c(nc2NC(CC)CO
    )NCc3ccccc3)C(C)C; CCC(CO)Nc1nc2c(cnn2c(
    n1)NCc3ccccc3)C(C)C    		 (2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol
    30016
    NNO    		 13 C6 H5 N O4 InChI=1S/C6H5NO4/c8-5-2-1
    -4(6(9)10)3-7(5)11/h1-3,8
    H,(H,9,10);
    PQTDJLRPWRPPLV-UHFFFAOYSA-N    		 OC(=O)c1ccc(O)[n+]([O-])c1; O=C(O)c1c[n+
    ]([O-])c(O)cc1; c1cc([n+](cc1C(=O)O)[O-]
    )O    		 6-HYDROXYISONICOTINIC ACID N-OXIDE
    30017
    NNQ
    CHEMBL2270128
    ZINC000070455165    		 1 C18 H25 N O InChI=1S/C18H25NO/c1-2-3-
    4-5-6-7-8-11-15-14-18(20)
    16-12-9-10-13-17(16)19-15
    /h9-10,12-14H,2-8,11H2,1H
    3,(H,19,20);
    KKRXDNYRUZGPFM-UHFFFAOYSA-N    		 CCCCCCCCCC1=CC(=O)c2ccccc2N1; O=C2c1c(cc
    cc1)NC(=C2)CCCCCCCCC    		 2-nonylquinolin-4(1H)-one
    30018
    NNR
    CHEMBL438497
    DB14933
    ZINC000004096036    		 7 C11 H15 N2 O5 InChI=1S/C11H14N2O5/c12-1
    0(17)6-2-1-3-13(4-6)11-9(
    16)8(15)7(5-14)18-11/h1-4
    ,7-9,11,14-16H,5H2,(H-,12
    ,17)/p+1/t7-,8-,9-,11-/m1
    /s1;
    JLEBZPBDRKPWTD-TURQNECASA-O    		 NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO)[CH](O)
    [CH]2O; c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H
    ]([C@H](O2)CO)O)O)C(=O)N; NC(=O)c1ccc[n+
    ](c1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O;
    c1cc(c[n+](c1)C2C(C(C(O2)CO)O)O)C(=O)N;
    O=C(c1ccc[n+](c1)C2OC(C(O)C2O)CO)N    		 Nicotinamide riboside;
    3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium
    30019
    NNS    		 0 C8 H9 N O2 InChI=1/C8H9NO2/c1-6(10)9
    -7-2-4-8(11)5-3-7/h2-5,11
    H,1H3,(H,9,10)/f/h9H;
    RZVAJINKPMORJF-BGGKNDAXCW    		 CC(=O)Nc1ccc(cc1)O; CC(=O)Nc1ccc(O)cc1;
    O=C(Nc1ccc(O)cc1)C    		 4-ACETYL-AMINOPHENOL;
    PARACETAMOL
    30020
    NNT    		 0 C7 H10 Cl N2 InChI=1S/C7H10ClN2/c1-10-
    3-2-7(8)6(4-9)5-10/h2-3,5
    H,4,9H2,1H3/q+1;
    RRNWGKZANUHRIC-UHFFFAOYSA-N    		 C[n+]1ccc(c(c1)CN)Cl; Clc1cc[n+](cc1CN)C
    ; C[n+]1ccc(Cl)c(CN)c1    		 3-(aminomethyl)-4-chloro-1-methylpyridinium
    30021
    NNU
    ZINC000035570032    		 0 C6 H7 Cl N2 InChI=1S/C6H7ClN2/c7-6-1-
    2-9-4-5(6)3-8/h1-2,4H,3,8
    H2;
    ORHVJXZYOADENO-UHFFFAOYSA-N    		 Clc1ccncc1CN; c1cncc(c1Cl)CN; NCc1cnccc1
    Cl    		 1-(4-chloropyridin-3-yl)methanamine
    30022
    NNV
    ZINC000085589516    		 3 C14 H14 N2 O4 InChI=1S/C14H14N2O4/c17-1
    3(18)7-3-1-5-9-11(7)16-10
    -6-2-4-8(14(19)20)12(10)1
    5-9/h1-2,5-8,11,16H,3-4H2
    ,(H,17,18)(H,19,20)/t7-,8
    -,11+/m1/s1;
    FXTPBWZKMDQSSJ-XLDPMVHQSA-N    		 OC(=O)[CH]1CC=CC2=NC3=C(N[CH]12)C=CC[CH]
    3C(O)=O; C1C=CC2=NC3=C(C=CC[C@H]3C(=O)O)
    NC2[C@@H]1C(=O)O; OC(=O)[C@@H]1CC=CC2=NC
    3=C(N[C@@H]12)C=CC[C@H]3C(O)=O; C1C=CC2=
    NC3=C(C=CCC3C(=O)O)NC2C1C(=O)O; O=C(O)C3
    C=2N=C1C=CCC(C(=O)O)C1NC=2C=CC3    		 (1R,5aS,6R)-1,2,5,5a,6,7-hexahydrophenazine-1,6-dicarboxylic acid
    30023
    NNW
    CHEMBL1188378
    ZINC000000158598    		 0 C6 H8 N2 InChI=1S/C6H8N2/c7-5-6-1-
    3-8-4-2-6/h1-4H,5,7H2;
    TXQWFIVRZNOPCK-UHFFFAOYSA-N    		 NCc1ccncc1; c1cnccc1CN; n1ccc(cc1)CN 1-(pyridin-4-yl)methanamine
    30024
    NNX
    ZINC000098209240    		 0 C7 H10 Cl N2 InChI=1S/C7H10ClN2/c1-10-
    3-2-6(8)4-7(10)5-9/h2-4H,
    5,9H2,1H3/q+1;
    LNGYGZSEXVDQEO-UHFFFAOYSA-N    		 C[n+]1ccc(Cl)cc1CN; C[n+]1ccc(cc1CN)Cl;
    Clc1cc[n+](c(c1)CN)C    		 2-(aminomethyl)-4-chloro-1-methylpyridinium
    30025
    NNY
    CHEMBL4588770
    ZINC000039051096    		 0 C6 H7 Cl N2 InChI=1S/C6H7ClN2/c7-5-1-
    2-9-6(3-5)4-8/h1-3H,4,8H2;
    FZCYDUZIHRNWSQ-UHFFFAOYSA-N    		 NCc1cc(Cl)ccn1; c1cnc(cc1Cl)CN; Clc1ccnc
    (c1)CN    		 1-(4-chloropyridin-2-yl)methanamine
    30026
    NNZ    		 0 C7 H11 N2 InChI=1S/C7H11N2/c1-9-5-3
    -2-4-7(9)6-8/h2-5H,6,8H2,
    1H3/q+1;
    YORFTLSSGMZBTM-UHFFFAOYSA-N    		 NCc1[n+](cccc1)C; C[n+]1ccccc1CN 2-(aminomethyl)-1-methylpyridinium
    30027
    NO
    CHEMBL1234765    		 170 N O InChI=1S/HNO/c1-2/h1H;
    ODUCDPQEXGNKDN-UHFFFAOYSA-N    		 [N]=O NITRIC OXIDE;
    Nitrogen monoxide
    30028
    NO0    		 1 C19 H14 N2 O InChI=1S/C19H14N2O/c1-2-1
    4-6-5-7-15(10-14)11-19(22
    )21-18-13-20-12-16-8-3-4-
    9-17(16)18/h1,3-10,12-13H
    ,11H2,(H,21,22);
    CLLYBOMGFSNDSO-UHFFFAOYSA-N    		 C#Cc1cccc(c1)CC(=O)Nc1cncc2ccccc21; C#Cc
    1cccc(c1)CC(=O)Nc2cncc3c2cccc3; O=C(Cc1c
    ccc(c1)C#C)Nc2cncc3ccccc23    		 2-(3-ethynylphenyl)-N-(isoquinolin-4-yl)acetamide
    30029
    NO1
    ZINC000058638859    		 1 C11 H11 N O3 InChI=1S/C11H11NO3/c1-6-9
    -7(5-13)3-2-4-8(9)12-10(6
    )11(14)15/h2-4,12-13H,5H2
    ,1H3,(H,14,15);
    BSECKLZXEJBFRE-UHFFFAOYSA-N    		 Cc1c2c(cccc2[nH]c1C(=O)O)CO; O=C(O)c2c(c
    1c(cccc1n2)CO)C; Cc1c([nH]c2cccc(CO)c12)
    C(O)=O    		 4-(hydroxymethyl)-3-methyl-1H-indole-2-carboxylic acid
    30030
    NO2
    DB12529    		 402 N O2 InChI=1S/HNO2/c2-1-3/h(H,
    2,3)/p-1;
    IOVCWXUNBOPUCH-UHFFFAOYSA-M    		 [O-]N=O; N(=O)[O-] NITRITE ION
    30031
    NO3
    CHEMBL186200
    DB14049    		 166 N O3 InChI=1S/NO3/c2-1(3)4/q-1;
    NHNBFGGVMKEFGY-UHFFFAOYSA-N    		 [O-][N+]([O-])=O; [N+](=O)([O-])[O-] NITRATE ION
    30032
    NO4
    CHEMBL1625834
    ZINC000002132373    		 6 C15 H21 N InChI=1S/C15H21N/c1-3-7-1
    4(8-4-1)11-12-16-13-15-9-
    5-2-6-10-15/h2,5-7,9-10,1
    6H,1,3-4,8,11-13H2;
    RTJNHLXWVAXRBH-UHFFFAOYSA-N    		 c1ccc(cc1)CNCCC2=CCCCC2; C1CCC(=CC1)CCNC
    c2ccccc2; c1ccc(cc1)CNCCC=2CCCCC=2    		 N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine
    30033
    NO5    		 2 C5 H12 N2 O4 S InChI=1S/C5H12N2O4S/c1-3(
    2)4(5(8)9)7-12(6,10)11/h3
    -4,7H,1-2H3,(H,8,9)(H2,6,
    10,11)/t4-/m0/s1;
    IIRKLFOBJZBWGF-BYPYZUCNSA-N    		 CC(C)[CH](N[S](N)(=O)=O)C(O)=O; CC(C)C(C
    (=O)O)NS(=O)(=O)N; CC(C)[C@H](N[S](N)(=O
    )=O)C(O)=O; CC(C)[C@@H](C(=O)O)NS(=O)(=O
    )N    		 (2~{S})-3-methyl-2-(sulfamoylamino)butanoic acid
    30034
    NO6    		 6 C9 H12 N2 O2 S InChI=1S/C9H12N2O2S/c10-8
    (9(12)13)6-14-5-7-3-1-2-4
    -11-7/h1-4,8H,5-6,10H2,(H
    ,12,13)/t8-/m0/s1;
    LHCQVBLTAYDREK-QMMMGPOBSA-N    		 c1ccnc(c1)CSCC(C(=O)O)N; c1ccnc(c1)CSC[C
    @@H](C(=O)O)N; N[CH](CSCc1ccccn1)C(O)=O;
    N[C@@H](CSCc1ccccn1)C(O)=O; O=C(O)C(N)C
    SCc1ccccn1    		 S-[(pyridin-2-yl)methyl]-L-cysteine
    30035
    NO7    		 1 C13 H17 N5 O10 P2 InChI=1S/C13H17N5O10P2/c1
    -2-3-14-11-8-12(16-5-15-1
    1)18(6-17-8)13-10(20)9(19
    )7(27-13)4-26-30(24,25)28
    -29(21,22)23/h1,5-7,9-10,
    13,19-20H,3-4H2,(H,24,25)
    (H,14,15,16)(H2,21,22,23)
    /t7-,9-,10-,13+/m1/s1;
    DYWGWOPDXRINLT-HMMKDHSLSA-N    		 O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P]
    (O)(O)=O)n2cnc3c(NCC#C)ncnc23; O[C@H]1[C
    @@H](O)[C@H](O[C@@H]1CO[P](O)(=O)O[P](O)
    (O)=O)n2cnc3c(NCC#C)ncnc23; C#CCNc1c2c(n
    cn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)
    O)O)O; C#CCNc1c2c(ncn1)n(cn2)[C@@H]3[C@@
    H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)
    O)O; c21ncn(c1ncnc2NCC#C)C3C(C(C(COP(O)(
    =O)OP(O)(O)=O)O3)O)O    		 9-{5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-alpha-D-ribofuranosyl}-N-(prop-2-yn-1-yl)-9H-purin-6-amine
    30036
    NO8    		 8 C33 H55 N9 O14 InChI=1S/C33H55N9O14/c1-1
    4(34)31(53)42-10-6-8-20(4
    2)29(51)36-11-22(46)39-18
    (12-43)28(50)40-23(30(52)
    37-15(2)32(54)41-9-5-7-19
    (41)27(35)49)16(3)55-33-2
    4(38-17(4)45)26(48)25(47)
    21(13-44)56-33/h14-16,18-
    21,23-26,33,43-44,47-48H,
    5-13,34H2,1-4H3,(H2,35,49
    )(H,36,51)(H,37,52)(H,38,
    45)(H,39,46)(H,40,50)/t14
    -,15-,16+,18-,19-,20-,21+
    ,23-,24+,25-,26+,33-/m0/s
    1;
    SQMBDAVTEXMIPT-PEECNIKTSA-N    		 C[CH](N)C(=O)N1CCC[CH]1C(=O)NCC(=O)N[CH]
    (CO)C(=O)N[CH]([CH](C)O[CH]2O[CH](CO)[CH
    ](O)[CH](O)[CH]2NC(C)=O)C(=O)N[CH](C)C(=
    O)N3CCC[CH]3C(N)=O; C[C@H]([C@@H](C(=O)N
    [C@@H](C)C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C
    @H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@
    H](C)N)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](
    O3)CO)O)O)NC(=O)C; C[C@H](N)C(=O)N1CCC[C
    @H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](
    [C@@H](C)O[C@H]2O[C@H](CO)[C@H](O)[C@H](
    O)[C@H]2NC(C)=O)C(=O)N[C@@H](C)C(=O)N3CC
    C[C@H]3C(N)=O; CC(C(C(=O)NC(C)C(=O)N1CCC
    C1C(=O)N)NC(=O)C(CO)NC(=O)CNC(=O)C2CCCN2
    C(=O)C(C)N)OC3C(C(C(C(O3)CO)O)O)NC(=O)C    		 (2~{S})-~{N}-[2-[[(2~{S})-1-[[(2~{S},3~{R})-3-[(2~{S},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-[[(2~{S})-1-[(2~{S})-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-1-[(2~{S})-2-azanylpropanoyl]pyrrolidine-2-carboxamide
    30037
    NO9
    ZINC000032627677    		 6 C7 H9 N O5 S InChI=1S/C7H9NO5S/c1-3-5(
    7(9)10)6(4(2)13-3)14(8,11
    )12/h1-2H3,(H,9,10)(H2,8,
    11,12);
    YPWRJNLSEWKOGW-UHFFFAOYSA-N    		 Cc1c(c(c(o1)C)S(=O)(=O)N)C(=O)O; Cc1oc(C
    )c(c1C(O)=O)[S](N)(=O)=O    		 2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid
    30038
    NOA
    CHEMBL1234781
    DB08286
    ZINC000000038389    		 1 C12 H10 O3 InChI=1S/C12H10O3/c13-12(
    14)8-15-11-7-3-5-9-4-1-2-
    6-10(9)11/h1-7H,8H2,(H,13
    ,14);
    GHRYSOFWKRRLMI-UHFFFAOYSA-N    		 c1ccc2c(c1)cccc2OCC(=O)O; O=C(O)COc2cccc
    1ccccc12; OC(=O)COc1cccc2ccccc12    		 NAPHTHYLOXYACETIC ACID
    30039
    NOB    		 16 B2 H3 Li O5 InChI=1S/B2H3O5.Li/c3-1(4
    )7-2(5)6;/h3-5H;/q-1;+1;
    OBDSFKZXLCSJJG-UHFFFAOYSA-N    		 [Li]OB(O)OB(O)O (dihydroxyboranyloxy-hydroxy-boranyl)oxylithium
    30040
    NOC
    ZINC000058638705    		 1 C11 H15 N5 O3 InChI=1S/C11H15N5O3/c12-1
    0-7-11(14-3-13-10)16(4-15
    -7)6-1-5(2-17)8(18)9(6)19
    /h3-6,8-9,17-19H,1-2H2,(H
    2,12,13,14)/t5-,6+,8-,9-/
    m0/s1;
    UGRNVLGKAGREKS-FAYXRDSDSA-N    		 Nc1ncnc2n(cnc12)[C@@H]3C[C@@H](CO)[C@H](
    O)[C@H]3O; Nc1ncnc2n(cnc12)[CH]3C[CH](CO
    )[CH](O)[CH]3O; c1nc(c2c(n1)n(cn2)C3CC(C
    (C3O)O)CO)N; n1c(c2ncn(c2nc1)C3CC(CO)C(O
    )C3O)N; c1nc(c2c(n1)n(cn2)[C@@H]3CC([C@@
    H]([C@H]3O)O)CO)N    		 3-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-CYCLOPENTANE-1,2-DIOL;
    NEPLANOCIN
    30041
    NOD
    ZINC000043649746    		 0 C29 H33 N O12 InChI=1S/C29H33NO12/c1-12
    -24(34)15(30-6-7-31)8-19(
    41-12)42-17-10-29(39,18(3
    3)11-32)9-14-21(17)28(38)
    23-22(26(14)36)25(35)13-4
    -3-5-16(40-2)20(13)27(23)
    37/h3-5,12,15,17,19,24,30
    -32,34,36,38-39H,6-11H2,1
    -2H3/t12-,15+,17-,19-,24+
    ,29-/m0/s1;
    XZJOMGCCXRRFJX-MIDWVNFUSA-N    		 O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)C
    C(O)(C(=O)CO)CC5OC4OC(C(O)C(NCCO)C4)C; C
    [C@H]1[C@H](C(C[C@@H](O1)O[C@H]2C[C@@](C
    c3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C
    (=O)CO)O)NCCO)O; CC1C(C(CC(O1)OC2CC(Cc3c
    2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O
    )CO)O)NCCO)O; COc1cccc2C(=O)c3c(O)c4C[C]
    (O)(C[CH](O[CH]5C[CH](NCCO)[CH](O)[CH](C
    )O5)c4c(O)c3C(=O)c12)C(=O)CO; COc1cccc2C
    (=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@@
    H](NCCO)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)
    c12)C(=O)CO    		 N-ETHYLHYDROXY-DOXORUBICIN
    30042
    NOE
    DB02646    		 4 C2 H5 N O InChI=1S/C2H5NO/c1-2-3-4/
    h2H2,1H3;
    IFYCAQIXDKZDTB-UHFFFAOYSA-N    		 O=NCC; CCN=O NITROSOETHANE
    30043
    NOF    		 15 C34 H45 Cl Ir N5 O4 S InChI=1S/C24H31N5O4S.C10H
    15.ClH.Ir/c1-24(2,3)33-23
    (32)28-16-11-10-15(14-7-6
    -12-25-20(14)16)26-19(30)
    9-5-4-8-18-21-17(13-34-18
    )27-22(31)29-21;1-6-7(2)9
    (4)10(5)8(6)3;;/h6-7,10-1
    2,17-18,21H,4-5,8-9,13H2,
    1-3H3,(H4,25,26,27,28,29,
    30,31,32);1-5H3;1H;/q;;;+
    3/p-2/t17-,18-,21-;;;/m0.
    ../s1;
    NIFXELQADIYDEE-HVXVAELJSA-L    		 CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc
    c8c7c(ccc8NC(=O)CCCCC9C1C(CS9)NC(=O)N1)N
    6C(=O)OC(C)(C)C)Cl)C; CC12C3([Ir]1456(C2
    (C4(C53C)C)C)([n+]7cccc8c7c(ccc8NC(=O)CC
    CC[C@H]9[C@@H]1[C@H](CS9)NC(=O)N1)N6C(=O
    )OC(C)(C)C)Cl)C; CC1C(C)C(C)C(C)C1C.CC(C
    )(C)OC(=O)N2[Ir](Cl)[n+]3cccc4c(NC(=O)CC
    CC[CH]5SC[CH]6NC(=O)N[CH]56)ccc2c34; CC1
    C(C)C(C)C(C)C1C.CC(C)(C)OC(=O)N2[Ir](Cl)
    [n+]3cccc4c(NC(=O)CCCC[C@@H]5SC[C@@H]6NC
    (=O)N[C@H]56)ccc2c34    		 tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate;
    iridium catalyst for CH activation
    30044
    NOG
    CHEMBL1389
    DB00367
    ZINC000003814395    		 3 C21 H28 O2 InChI=1S/C21H28O2/c1-3-20
    -11-9-17-16-8-6-15(22)13-
    14(16)5-7-18(17)19(20)10-
    12-21(20,23)4-2/h2,13,16-
    19,23H,3,5-12H2,1H3/t16-,
    17+,18+,19-,20-,21-/m0/s1;
    WWYNJERNGUHSAO-XUDSTZEESA-N    		 CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
    ; O=C4C=C3C(C2CCC1(C(CCC1(C#C)O)C2CC3)CC
    )CC4; CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)
    CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C; CC[C@]1
    2CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4
    =CC(=O)CC[C@H]34; CC[C]12CC[CH]3[CH](CCC
    4=CC(=O)CC[CH]34)[CH]1CC[C]2(O)C#C    		 13-BETA-ETHYL-17-ALPHA-ETHYNYL-17-BETA-HYDROXYGON-4-EN-3-ONE;
    NORGESTREL
    30045
    NOH
    CHEMBL1161227    		 13 C9 H14 N3 O8 P InChI=1S/C9H14N3O8P/c13-5
    -3-8(20-6(5)4-19-21(16,17
    )18)12-2-1-7(11-15)10-9(1
    2)14/h1-2,5-6,8,13,15H,3-
    4H2,(H,10,11,14)(H2,16,17
    ,18)/t5-,6+,8+/m0/s1;
    YKOWBJJOJNGCAD-SHYZEUOFSA-N    		 ONC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](
    CO[P](O)(O)=O)O2; C1[C@@H]([C@H](O[C@H]1
    N2C=CC(=NC2=O)NO)COP(=O)(O)O)O; ONC1=NC(
    =O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=
    O)O2; C1C(C(OC1N2C=CC(=NC2=O)NO)COP(=O)(
    O)O)O; O=P(O)(O)OCC2OC(N1C(=O)N=C(NO)C=C
    1)CC2O    		 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate)
    30046
    NOI    		 1 C12 H12 Cl N3 O InChI=1S/C12H12ClN3O/c1-1
    6-8-14-7-11(16)15-12(17)6
    -9-3-2-4-10(13)5-9/h2-5,7
    -8H,6H2,1H3,(H,15,17);
    DVAZCJFDVZFHLG-UHFFFAOYSA-N    		 Cn1cncc1NC(=O)Cc2cccc(c2)Cl; Cn1cncc1NC(
    =O)Cc2cccc(Cl)c2; O=C(Nc1cncn1C)Cc1cccc(
    Cl)c1    		 2-(3-chlorophenyl)-N-(1-methyl-1H-imidazol-5-yl)acetamide
    30047
    NOJ
    CHEMBL307429
    DB03206
    ZINC000003794714    		 55 C6 H13 N O4 InChI=1S/C6H13NO4/c8-2-3-
    5(10)6(11)4(9)1-7-3/h3-11
    H,1-2H2/t3-,4+,5-,6-/m1/s
    1;
    LXBIFEVIBLOUGU-JGWLITMVSA-N    		 OC1C(NCC(O)C1O)CO; C1C(C(C(C(N1)CO)O)O)O
    ; C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)
    O; OC[CH]1NC[CH](O)[CH](O)[CH]1O; OC[C@H
    ]1NC[C@H](O)[C@@H](O)[C@@H]1O    		 1-DEOXYNOJIRIMYCIN;
    MORANOLINE
    30048
    NOK
    CHEMBL382689
    ZINC000005167384    		 8 C8 H16 N2 O4 InChI=1S/C8H16N2O4/c1-4(1
    2)10-5-2-9-6(3-11)8(14)7(
    5)13/h5-9,11,13-14H,2-3H2
    ,1H3,(H,10,12)/t5-,6+,7+,
    8+/m0/s1;
    GBRAQQUMMCVTAV-LXGUWJNJSA-N    		 CC(=O)N[CH]1CN[CH](CO)[CH](O)[CH]1O; CC(
    =O)NC1CNC(C(C1O)O)CO; CC(=O)N[C@H]1CN[C@
    H](CO)[C@@H](O)[C@@H]1O; CC(=O)N[C@H]1CN
    [C@@H]([C@H]([C@@H]1O)O)CO; O=C(NC1C(O)C
    (O)C(NC1)CO)C    		 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN
    30049
    NOL
    ZINC000016052090    		 4 C32 H50 N4 O7 InChI=1S/C32H50N4O7/c1-21
    (43-32(2,3)4)27(36-31(41)
    42-20-23-13-9-6-10-14-23)
    30(40)35-26(17-22-11-7-5-
    8-12-22)29(39)34-25(19-37
    )18-24-15-16-33-28(24)38/
    h6,9-10,13-14,21-22,24-27
    ,37H,5,7-8,11-12,15-20H2,
    1-4H3,(H,33,38)(H,34,39)(
    H,35,40)(H,36,41)/t21-,24
    +,25+,26+,27+/m1/s1;
    YIWYOEOSWRXENJ-FFXRMZKPSA-N    		 CC(C(C(=O)NC(CC1CCCCC1)C(=O)NC(CC2CCNC2=
    O)CO)NC(=O)OCc3ccccc3)OC(C)(C)C; C[CH](O
    C(C)(C)C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH
    ](CC2CCCCC2)C(=O)N[CH](CO)C[CH]3CCNC3=O;
    C[C@H]([C@@H](C(=O)N[C@@H](CC1CCCCC1)C(
    =O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3
    ccccc3)OC(C)(C)C; C[C@@H](OC(C)(C)C)[C@H
    ](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC2CCCCC
    2)C(=O)N[C@H](CO)C[C@@H]3CCNC3=O; O=C(OC
    c1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2
    )CO)CC3CCCCC3)C(OC(C)(C)C)C    		 N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
    30050
    NOM
    DB01668
    ZINC000004983927    		 1 C16 H12 O6 InChI=1S/C16H12O6/c1-6-11
    -13(16-9(21-6)5-10(18)22-
    16)14(19)7-3-2-4-8(17)12(
    7)15(11)20/h2-4,6,9,16-17
    H,5H2,1H3/t6-,9-,16-/m0/s
    1;
    XUWPJKDMEZSVTP-UOSCCXBLSA-N    		 C[CH]1O[CH]2CC(=O)O[CH]2C3=C1C(=O)c4c(O)
    cccc4C3=O; C[C@@H]1O[C@H]2CC(=O)O[C@@H]2
    C3=C1C(=O)c4c(O)cccc4C3=O; O=C1C3=C(C(=O
    )c2c1cccc2O)C(OC4CC(=O)OC34)C; C[C@H]1C2
    =C(C3[C@@H](O1)CC(=O)O3)C(=O)c4cccc(c4C2
    =O)O; CC1C2=C(C3C(O1)CC(=O)O3)C(=O)c4ccc
    c(c4C2=O)O    		 7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-2,6,11-TRIONE;
    NANAOMYCIN D
    30051
    NON
    CHEMBL1234788
    DB01631
    ZINC000002039285    		 2 C10 H20 O2 InChI=1S/C10H20O2/c1-3-4-
    5-6-7-8-9-10(11)12-2/h3-9
    H2,1-2H3;
    IJXHLVMUNBOGRR-UHFFFAOYSA-N    		 CCCCCCCCC(=O)OC; O=C(OC)CCCCCCCC METHYL NONANOATE (ESTER)
    30052
    NOO
    ZINC000066157186    		 1 C14 H23 N O2 InChI=1S/C14H23NO2/c1-2-3
    -4-5-6-10-14(17)15-12-8-7
    -9-13(16)11-12/h11H,2-10H
    2,1H3,(H,15,17);
    USNFUKCPLYEHLS-UHFFFAOYSA-N    		 O=C1C=C(NC(=O)CCCCCCC)CCC1; CCCCCCCC(=O)
    NC1=CC(=O)CCC1    		 N-(3-oxocyclohex-1-en-1-yl)octanamide
    30053
    NOP
    DB03629
    ZINC000033367564    		 1 C8 H10 N O7 P InChI=1S/C8H10NO7P/c1-5-8
    (11)7(3-10)6(2-9(5)12)4-1
    6-17(13,14)15/h2-3,11H,4H
    2,1H3,(H2,13,14,15);
    BBWRYPTUKZTWFD-UHFFFAOYSA-N    		 Cc1c(c(c(c[n+]1[O-])COP(=O)(O)O)C=O)O; [
    O-][n+]1cc(c(C=O)c(O)c1C)COP(=O)(O)O; Cc
    1c(O)c(C=O)c(CO[P](O)(O)=O)c[n+]1[O-]    		 PYRIDOXAL-5'-PHOSPHATE-N-OXIDE
    30054
    NOQ
    DB08287
    ZINC000016052009    		 1 C17 H26 N2 O4 S InChI=1S/C17H26N2O4S/c1-2
    3-14-6-8-15(9-7-14)24(21,
    22)12-13-4-2-3-5-16(13)17
    (20)19-11-10-18/h6-9,13,1
    6H,2-5,10-12,18H2,1H3,(H,
    19,20)/t13-,16+/m0/s1;
    QTGNVZPFJQOWFL-XJKSGUPXSA-N    		 O=S(=O)(c1ccc(OC)cc1)CC2C(C(=O)NCCN)CCCC
    2; COc1ccc(cc1)S(=O)(=O)CC2CCCCC2C(=O)NC
    CN; COc1ccc(cc1)S(=O)(=O)C[C@@H]2CCCC[C@
    H]2C(=O)NCCN; COc1ccc(cc1)[S](=O)(=O)C[C
    H]2CCCC[CH]2C(=O)NCCN; COc1ccc(cc1)[S](=
    O)(=O)C[C@@H]2CCCC[C@H]2C(=O)NCCN    		 (1R,2R)-N-(2-AMINOETHYL)-2-{[(4-METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE
    30055
    NOR
    DB08288
    ZINC000005977113    		 0 C13 H25 N O3 InChI=1S/C13H25NO3/c1-9(2
    )17-13(16)12(15)11(14)8-1
    0-6-4-3-5-7-10/h9-12,15H,
    3-8,14H2,1-2H3/t11-,12+/m
    0/s1;
    GSYSEQUYQXPNHH-NWDGAFQWSA-N    		 CC(C)OC(=O)C(C(CC1CCCCC1)N)O; CC(C)OC(=O
    )[CH](O)[CH](N)CC1CCCCC1; CC(C)OC(=O)[C@
    @H]([C@H](CC1CCCCC1)N)O; CC(C)OC(=O)[C@H
    ](O)[C@@H](N)CC1CCCCC1; O=C(OC(C)C)C(O)C
    (N)CC1CCCCC1    		 CYCLOHEXYL-NORSTATINE
    30056
    NOS
    CHEMBL1556
    DB04335
    ZINC000008855117    		 64 C10 H12 N4 O5 InChI=1S/C10H12N4O5/c15-1
    -4-6(16)7(17)10(19-4)14-3
    -13-5-8(14)11-2-12-9(5)18
    /h2-4,6-7,10,15-17H,1H2,(
    H,11,12,18)/t4-,6-,7-,10-
    /m1/s1;
    UGQMRVRMYYASKQ-KQYNXXCUSA-N    		 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(
    =O)NC=Nc23; OC[CH]1O[CH]([CH](O)[CH]1O)n
    2cnc3C(=O)NC=Nc23; c1nc2c(n1C3C(C(C(O3)C
    O)O)O)N=CNC2=O; c1nc2c(n1[C@H]3[C@@H]([C
    @@H]([C@H](O3)CO)O)O)N=CNC2=O    		 INOSINE
    30057
    NOT
    ZINC000035854941    		 1 C6 H12 N4 O2 InChI=1S/C6H12N4O2/c7-5(6
    (11)12)3-1-2-4-9-10-8/h5H
    ,1-4,7H2,(H,11,12)/t5-/m0
    /s1;
    HTFFMYRVHHNNBE-YFKPBYRVSA-N    		 C(CCN=[N+]=[N-])CC(C(=O)O)N; N[C@@H](CCC
    CN=[N+]=[N-])C(O)=O; C(CCN=[N+]=[N-])C[C
    @@H](C(=O)O)N; [N-]=[N+]=N/CCCCC(N)C(=O)
    O; N[CH](CCCCN=[N+]=[N-])C(O)=O    		 6-azido-L-norleucine;
    AZIDONORLEUCINE
    30058
    NOU    		 2 C9 H13 N3 O2 InChI=1S/C9H13N3O2/c10-7(
    9(13)14)4-6-12-8-3-1-2-5-
    11-8/h1-3,5,7H,4,6,10H2,(
    H,11,12)(H,13,14)/t7-/m0/
    s1;
    QJIQHEBKRNDRHG-ZETCQYMHSA-N    		 N[CH](CCNc1ccccn1)C(O)=O; N[C@@H](CCNc1c
    cccn1)C(O)=O; c1ccnc(c1)NCCC(C(=O)O)N; c
    1ccnc(c1)NCC[C@@H](C(=O)O)N; O=C(O)C(N)C
    CNc1ccccn1    		 (2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid
    30059
    NOV
    CHEMBL36506
    DB01051
    ZINC000014879999    		 30 C31 H36 N2 O11 InChI=1S/C31H36N2O11/c1-1
    4(2)7-8-16-13-17(9-11-19(
    16)34)27(37)33-21-22(35)1
    8-10-12-20(15(3)24(18)42-
    28(21)38)41-29-23(36)25(4
    3-30(32)39)26(40-6)31(4,5
    )44-29/h7,9-13,23,25-26,2
    9,34-36H,8H2,1-6H3,(H2,32
    ,39)(H,33,37)/t23-,25+,26
    -,29-/m1/s1;
    YJQPYGGHQPGBLI-KGSXXDOSSA-N    		 Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3
    )CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C
    (O4)(C)C)OC)OC(=O)N)O; CO[CH]1[CH](OC(N)
    =O)[CH](O)[CH](Oc2ccc3C(=C(NC(=O)c4ccc(O
    )c(CC=C(C)C)c4)C(=O)Oc3c2C)O)OC1(C)C; O=
    C(c1ccc(O)c(c1)C\C=C(/C)C)NC3=C(O)c4ccc(
    OC2OC(C(OC)C(OC(=O)N)C2O)(C)C)c(c4OC3=O)
    C; CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H
    ](Oc2ccc3C(=C(NC(=O)c4ccc(O)c(CC=C(C)C)c
    4)C(=O)Oc3c2C)O)OC1(C)C; Cc1c(ccc2c1OC(=
    O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)OC4
    C(C(C(C(O4)(C)C)OC)OC(=O)N)O    		 NOVOBIOCIN;
    4-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)benzamido]-8-methylcoumarin-7-yl 3-O-carbamoyl-5,5-di-C-methyl-alpha-l-lyxofuranoside
    30060
    NOW    		 4 C21 H29 N5 O2 InChI=1S/C21H29N5O2/c1-14
    -7-6-8-15(11-14)12-16(19(
    27)23-10-9-22)24-20(28)17
    -13-18(21(2,3)4)25-26(17)
    5/h6-9,11,13,16,22H,10,12
    H2,1-5H3,(H,23,27)(H,24,2
    8)/b22-9+/t16-/m0/s1;
    TVOGNNSPACVESK-QPCOYWRUSA-N    		 [H]N=CCNC(=O)C(Cc1cccc(c1)C)NC(=O)c2cc(n
    n2C)C(C)(C)C; [H]/N=C\CNC(=O)[C@H](Cc1cc
    cc(c1)C)NC(=O)c2cc(nn2C)C(C)(C)C; Cn1nc(
    cc1C(=O)N[C@@H](Cc2cccc(C)c2)C(=O)NCC=N)
    C(C)(C)C; Cn1nc(cc1C(=O)N[CH](Cc2cccc(C)
    c2)C(=O)NCC=N)C(C)(C)C; O=C(c1cc(nn1C)C(
    C)(C)C)NC(C(=O)NCC=[N@H])Cc2cccc(c2)C    		 Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide
    30061
    NOX
    DB08289
    ZINC000006251339    		 2 C18 H26 N2 O4 InChI=1S/C18H26N2O4/c21-1
    7(5-4-6-18(22)23)19-16-9-
    7-15(8-10-16)11-14-20(24)
    12-2-1-3-13-20/h7-10H,1-6
    ,11-14H2,(H,19,21)(H,22,2
    3);
    RKJXWOJUCCBWSC-UHFFFAOYSA-N    		 c1cc(ccc1CC[N+]2(CCCCC2)[O-])NC(=O)CCCC(
    =O)O; OC(=O)CCCC(=O)Nc1ccc(CC[N+]2([O-])
    CCCCC2)cc1; [O-][N+]2(CCc1ccc(NC(=O)CCCC
    (=O)O)cc1)CCCCC2    		 N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM-N-OXIDE
    30062
    NOY    		 8 C6 H13 N O4 InChI=1S/C6H13NO4/c8-2-3-
    1-7-6(11)5(10)4(3)9/h3-11
    H,1-2H2/t3-,4-,5+,6-/m1/s
    1;
    BHOYFRIRWXBNHP-ARQDHWQXSA-N    		 C1C(C(C(C(N1)O)O)O)CO; OC[CH]1CN[CH](O)[
    CH](O)[CH]1O; OC[C@H]1CN[C@H](O)[C@@H](O
    )[C@@H]1O; OC1C(CNC(O)C1O)CO; C1[C@@H]([
    C@H]([C@@H]([C@H](N1)O)O)O)CO    		 (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL
    30063
    NOZ    		 0 C6 H13 N O4 InChI=1/C6H13NO4/c8-2-3-1
    -7-6(11)5(10)4(3)9/h3-11H
    ,1-2H2/t3-,4-,5+,6+/m1/s1;
    BHOYFRIRWXBNHP-ZXXMMSQZBS    		 C1C(C(C(C(N1)O)O)O)CO; OC[CH]1CN[CH](O)[
    CH](O)[CH]1O; OC[C@H]1CN[C@@H](O)[C@@H](
    O)[C@@H]1O; C1[C@@H]([C@H]([C@@H]([C@@H]
    (N1)O)O)O)CO; OC1C(CNC(O)C1O)CO    		 (2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol
    30064
    NP    		 3 C14 H18 N2 O6 InChI=1S/C14H18N2O6/c17-1
    2-6-5-10(8-11(12)16(21)22
    )9-13(18)15-7-3-1-2-4-14(
    19)20/h5-6,8,17H,1-4,7,9H
    2,(H,15,18)(H,19,20);
    XAYGJFACOIKJCT-UHFFFAOYSA-N    		 O=[N+]([O-])c1cc(ccc1O)CC(=O)NCCCCCC(=O)
    O; c1cc(c(cc1CC(=O)NCCCCCC(=O)O)[N+](=O)
    [O-])O; OC(=O)CCCCCNC(=O)Cc1ccc(O)c(c1)[
    N+]([O-])=O    		 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID
    30065
    NP0    		 0 C3 H9 N O InChI=1S/C3H9NO/c1-2-3-4-
    5/h4-5H,2-3H2,1H3;
    OMXHKVKIKSASRV-UHFFFAOYSA-N    		 CCCNO N-hydroxypropan-1-amine;
    1-nitrosopropane, bound form
    30066
    NP1
    CHEMBL609728
    DB05492
    ZINC000028644947    		 1 C10 H15 N3 O2 InChI=1S/C10H15N3O2/c1-8-
    3-4-9(12-6-2-5-11)10(7-8)
    13(14)15/h3-4,7,12H,2,5-6
    ,11H2,1H3;
    FKZUPMCBVURANR-UHFFFAOYSA-N    		 Cc1ccc(c(c1)[N+](=O)[O-])NCCCN; Cc1ccc(N
    CCCN)c(c1)[N+]([O-])=O; [O-][N+](=O)c1cc
    (ccc1NCCCN)C    		 N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE
    30067
    NP2
    CHEMBL1234797
    DB08291
    ZINC000004045568    		 1 C9 H13 N3 O2 InChI=1S/C9H13N3O2/c10-6-
    3-7-11-8-4-1-2-5-9(8)12(1
    3)14/h1-2,4-5,11H,3,6-7,1
    0H2;
    GVGDDEYVTBKACE-UHFFFAOYSA-N    		 [O-][N+](=O)c1ccccc1NCCCN; c1ccc(c(c1)NC
    CCN)[N+](=O)[O-]; NCCCNc1ccccc1[N+]([O-]
    )=O    		 N-(3-AMINOPROPYL)-2-NITROBENZENAMINE
    30068
    NP3
    ZINC000033370746    		 0 C9 H13 N2 O8 P InChI=1S/C9H13N2O8P/c12-7
    -3-9(10-2-1-6(4-10)11(13)
    14)19-8(7)5-18-20(15,16)1
    7/h1-2,4,7-9,12H,3,5H2,(H
    2,15,16,17)/t7-,8+,9+/m0/
    s1;
    RZUPPTSNKSBSQO-DJLDLDEBSA-N    		 O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2ccc(c2
    )[N+]([O-])=O; [O-][N+](=O)c1ccn(c1)C2OC
    (C(O)C2)COP(=O)(O)O; c1cn(cc1[N+](=O)[O-
    ])C2CC(C(O2)COP(=O)(O)O)O; c1cn(cc1[N+](
    =O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O
    )O)O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)
    =O)n2ccc(c2)[N+]([O-])=O    		 1-[2-DEOXY-RIBOFURANOSYL]-1H-[3-NITRO-PYRROL]-5'-PHOSPHATE
    30069
    NP4
    DB08292
    ZINC000036966122    		 1 C16 H17 Cl O5 InChI=1S/C16H17ClO5/c17-1
    5-11-8-10(18)6-4-2-1-3-5-
    7-22-16(21)14(11)12(19)9-
    13(15)20/h1,3,9,19-20H,2,
    4-8H2/b3-1-;
    AQKZYZQONWDDLS-IWQZZHSRSA-N    		 Oc1cc(O)c2C(=O)OCC\C=C/CCCC(=O)Cc2c1Cl;
    c1c(c2c(c(c1O)Cl)CC(=O)CCC\C=C/CCOC2=O)O
    ; O=C1OCCC=CCCCC(=O)Cc2c1c(O)cc(O)c2Cl;
    Oc1cc(O)c2C(=O)OCCC=CCCCC(=O)Cc2c1Cl; c1
    c(c2c(c(c1O)Cl)CC(=O)CCCC=CCCOC2=O)O    		 (5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE
    30070
    NP5
    DB08293
    ZINC000036966121    		 1 C16 H17 Cl O5 InChI=1S/C16H17ClO5/c17-1
    5-11-8-10(18)6-4-2-1-3-5-
    7-22-16(21)14(11)12(19)9-
    13(15)20/h1,3,9,19-20H,2,
    4-8H2/b3-1+;
    AQKZYZQONWDDLS-HNQUOIGGSA-N    		 c1c(c2c(c(c1O)Cl)CC(=O)CCC\C=C\CCOC2=O)O
    ; O=C1OCCC=CCCCC(=O)Cc2c1c(O)cc(O)c2Cl;
    Oc1cc(O)c2C(=O)OCCC=CCCCC(=O)Cc2c1Cl; Oc
    1cc(O)c2C(=O)OCC/C=C/CCCC(=O)Cc2c1Cl; c1
    c(c2c(c(c1O)Cl)CC(=O)CCCC=CCCOC2=O)O    		 (5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE
    30071
    NP6
    CHEMBL255476
    DB07432
    ZINC000034600850    		 2 C17 H23 N3 O7 InChI=1S/C17H23N3O7/c1-2-
    6-12(22)19-13-15(24)14(23
    )11(9-21)26-16(13)20-27-1
    7(25)18-10-7-4-3-5-8-10/h
    3-5,7-8,11,13-15,21,23-24
    H,2,6,9H2,1H3,(H,18,25)(H
    ,19,22)/b20-16-/t11-,13-,
    14-,15-/m1/s1;
    ITVRELFVFCOUMV-ZVZWZHPPSA-N    		 CCCC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=
    NOC(=O)Nc2ccccc2; CCCC(=O)NC1C(C(C(OC1=N
    OC(=O)Nc2ccccc2)CO)O)O; O=C(O\N=C1/OC(CO
    )C(O)C(O)C1NC(=O)CCC)Nc2ccccc2; CCCC(=O)
    N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O
    )Nc2ccccc2)CO)O)O; CCCC(=O)N[C@@H]\1[C@@
    H](O)[C@H](O)[C@@H](CO)OC\1=N\OC(=O)Nc2c
    cccc2    		 [[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO] N-PHENYLCARBAMATE
    30072
    NP7
    CHEMBL1609857    		 4 C18 H19 Cl N4 O3 InChI=1S/C18H19ClN4O3/c1-
    21-8-10-22(11-9-21)17-7-6
    -13(23(25)26)12-16(17)20-
    18(24)14-4-2-3-5-15(14)19
    /h2-7,12H,8-11H2,1H3,(H,2
    0,24);
    WOGZFCMBPXJNFI-UHFFFAOYSA-N    		 Clc1ccccc1C(=O)Nc3c(N2CCN(C)CC2)ccc([N+]
    ([O-])=O)c3; CN1CCN(CC1)c2ccc(cc2NC(=O)c
    3ccccc3Cl)[N+](=O)[O-]; CN1CCN(CC1)c2ccc
    (cc2NC(=O)c3ccccc3Cl)[N+]([O-])=O    		 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
    30073
    NP8
    CHEMBL3585455
    ZINC000263620429    		 2 C20 H23 N5 O2 InChI=1S/C20H23N5O2/c1-12
    -7-16-17(13-8-15(27-2)10-
    22-9-13)11-23-19(18(16)25
    -20(12)26)24-14-3-5-21-6-
    4-14/h7-11,14,21H,3-6H2,1
    -2H3,(H,23,24)(H,25,26);
    FPQQERRFPULCIK-UHFFFAOYSA-N    		 COc1cncc(c1)c2cnc(NC3CCNCC3)c4NC(=O)C(=C
    c24)C; CC1=Cc2c(cnc(c2NC1=O)NC3CCNCC3)c4
    cc(cnc4)OC    		 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one
    30074
    NPA
    CHEMBL501822
    DB08294
    ZINC000003861564    		 3 C8 H7 N O5 InChI=1S/C8H7NO5/c10-7-2-
    1-5(4-8(11)12)3-6(7)9(13)
    14/h1-3,10H,4H2,(H,11,12);
    QBHBHOSRLDPIHG-UHFFFAOYSA-N    		 OC(=O)Cc1ccc(O)c(c1)[N+]([O-])=O; c1cc(c
    (cc1CC(=O)O)[N+](=O)[O-])O; O=[N+]([O-])
    c1cc(ccc1O)CC(=O)O    		 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID
    30075
    NPB
    CHEMBL20945
    DB02797
    ZINC000169743203    		 3 C6 H6 B N O4 InChI=1S/C6H6BNO4/c9-7(10
    )5-2-1-3-6(4-5)8(11)12/h1
    -4,9-10H;
    ZNRGSYUVFVNSAW-UHFFFAOYSA-N    		 [O-][N+](=O)c1cc(B(O)O)ccc1; OB(O)c1cccc
    (c1)[N+]([O-])=O; B(c1cccc(c1)[N+](=O)[O
    -])(O)O    		 3-NITROPHENYLBORONIC ACID
    30076
    NPC
    DB08295    		 6 C14 H17 N2 O6 InChI=1S/C14H18N2O6/c17-1
    2-6-5-10(8-11(12)16(21)22
    )9-13(18)15-7-3-1-2-4-14(
    19)20/h5-6,8,17H,1-4,7,9H
    2,(H,15,18)(H,19,20)/p-1;
    XAYGJFACOIKJCT-UHFFFAOYSA-M    		 c1cc(c(cc1CC(=O)NCCCCCC(=O)[O-])[N+](=O)
    [O-])O; Oc1ccc(CC(=O)NCCCCCC([O-])=O)cc1
    [N+]([O-])=O; O=[N+]([O-])c1cc(ccc1O)CC(
    =O)NCCCCCC([O-])=O    		 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION
    30077
    NPD    		 0 C14 H14 O InChI=1S/C14H14O/c1-11(10
    -15)9-13-7-4-6-12-5-2-3-8
    -14(12)13/h2-8,10-11H,9H2
    ,1H3/t11-/m0/s1;
    RZTRQNRBKAAPDM-NSHDSACASA-N    		 C[CH](Cc1cccc2ccccc12)C=O; C[C@@H](Cc1cc
    cc2c1cccc2)C=O; O=CC(C)Cc2cccc1ccccc12;
    CC(Cc1cccc2c1cccc2)C=O; C[C@@H](Cc1cccc2
    ccccc12)C=O    		 2-METHYL-3-NAPHTHALEN-1-YL-PROPIONALDEHYDE
    30078
    NPE
    DB08296    		 4 C11 H13 N O7 P InChI=1S/C11H14NO7P/c13-1
    1(14)3-1-2-8-20(17,18)19-
    10-6-4-9(5-7-10)12(15)16/
    h4-7H,1-3,8H2,(H,13,14)(H
    ,17,18)/p-1;
    XVVZSEXTAACTPS-UHFFFAOYSA-M    		 OC(=O)CCCC[P]([O-])(=O)Oc1ccc(cc1)[N+]([
    O-])=O; c1cc(ccc1[N+](=O)[O-])OP(=O)(CCC
    CC(=O)O)[O-]; O=P([O-])(Oc1ccc(cc1)[N+](
    [O-])=O)CCCCC(=O)O; c1cc(ccc1[N+](=O)[O-
    ])O[P@@](=O)(CCCCC(=O)O)[O-]    		 5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID
    30079
    NPF
    DB08297
    ZINC000006031723    		 8 C12 H15 N O7 InChI=1S/C12H15NO7/c1-6-9
    (14)10(15)11(16)12(19-6)2
    0-8-5-3-2-4-7(8)13(17)18/
    h2-6,9-12,14-16H,1H3/t6-,
    9+,10+,11-,12+/m1/s1;
    SWRPIVXPHLYETN-BVWHHUJWSA-N    		 C[CH]1O[CH](Oc2ccccc2[N+]([O-])=O)[CH](O
    )[CH](O)[CH]1O; C[C@@H]1[C@@H]([C@@H]([C
    @H]([C@@H](O1)Oc2ccccc2[N+](=O)[O-])O)O)
    O; C[C@H]1O[C@@H](Oc2ccccc2[N+]([O-])=O)
    [C@H](O)[C@@H](O)[C@H]1O; CC1C(C(C(C(O1)
    Oc2ccccc2[N+](=O)[O-])O)O)O; [O-][N+](=O
    )c2c(OC1OC(C(O)C(O)C1O)C)cccc2    		 2-nitrophenyl beta-D-fucopyranoside;
    ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE;
    2-nitrophenyl 6-deoxy-beta-D-galactopyranoside;
    2-nitrophenyl beta-D-fucoside;
    2-nitrophenyl D-fucoside;
    2-nitrophenyl fucoside
    30080
    NPG
    DB03299    		 8 C12 H13 N O5 InChI=1S/C12H13NO5/c14-9(
    6-7-10(15)16)13-11(12(17)
    18)8-4-2-1-3-5-8/h1-5,11H
    ,6-7H2,(H,13,14)(H,15,16)
    (H,17,18)/t11-/m1/s1;
    GQFHIYFXQQEWME-LLVKDONJSA-N    		 OC(=O)CCC(=O)N[CH](C(O)=O)c1ccccc1; c1cc
    c(cc1)C(C(=O)O)NC(=O)CCC(=O)O; OC(=O)CCC
    (=O)N[C@@H](C(O)=O)c1ccccc1; O=C(O)CCC(=
    O)NC(C(=O)O)c1ccccc1; c1ccc(cc1)[C@H](C(
    =O)O)NC(=O)CCC(=O)O    		 N-SUCCINYL PHENYLGLYCINE
    30081
    NPH
    DB04437
    ZINC000006079992    		 0 C17 H16 N4 O3 S InChI=1S/C17H16N4O3S/c18-
    12(17(23)24)8-25-9-14(22)
    21-13-7-10-3-1-5-19-15(10
    )16-11(13)4-2-6-20-16/h1-
    7,12H,8-9,18H2,(H,21,22)(
    H,23,24)/t12-/m0/s1;
    ZFGIPRHDRFOMFO-LBPRGKRZSA-N    		 c1cc2cc(c3cccnc3c2nc1)NC(=O)CSC[C@@H](C(
    =O)O)N; N[CH](CSCC(=O)Nc1cc2cccnc2c3nccc
    c13)C(O)=O; c1cc2cc(c3cccnc3c2nc1)NC(=O)
    CSCC(C(=O)O)N; O=C(O)C(N)CSCC(=O)Nc2cc1c
    ccnc1c3ncccc23; N[C@@H](CSCC(=O)Nc1cc2cc
    cnc2c3ncccc13)C(O)=O    		 CYSTEINE-METHYLENE-CARBAMOYL-1,10-PHENANTHROLINE
    30082
    NPI
    DB03134
    ZINC000001594926    		 11 C7 H13 N O4 InChI=1S/C7H13NO4/c8-5(7(
    11)12)3-1-2-4-6(9)10/h5H,
    1-4,8H2,(H,9,10)(H,11,12)
    /t5-/m0/s1;
    JUQLUIFNNFIIKC-YFKPBYRVSA-N    		 O=C(O)C(N)CCCCC(=O)O; C(CCC(=O)O)CC(C(=O
    )O)N; C(CCC(=O)O)C[C@@H](C(=O)O)N; N[CH]
    (CCCCC(O)=O)C(O)=O; N[C@@H](CCCCC(O)=O)C
    (O)=O    		 (2S)-2-aminoheptanedioic acid;
    L-2-AMINOPIMELIC ACID
    30083
    NPJ
    ZINC000004282193    		 3 C18 H25 N O13 InChI=1S/C18H25NO13/c20-5
    -9-11(22)12(23)14(25)18(3
    0-9)32-16-10(6-21)31-17(1
    5(26)13(16)24)29-8-3-1-7(
    2-4-8)19(27)28/h1-4,9-18,
    20-26H,5-6H2/t9-,10-,11-,
    12+,13-,14-,15-,16-,17+,1
    8-/m1/s1;
    IAYJZWFYUSNIPN-LTHBGAKLSA-N    		 c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O
    C3C(C(C(C(O3)CO)O)O)O)O)O; OC[CH]1O[CH](
    O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)Oc3ccc
    (cc3)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;
    [O-][N+](=O)c3ccc(OC2OC(C(OC1OC(CO)C(O)C
    (O)C1O)C(O)C2O)CO)cc3; c1cc(ccc1[N+](=O)
    [O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O
    2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O
    3)CO)O)O)O)O)O; OC[C@H]1O[C@H](O[C@H]2[C
    @H](O)[C@@H](O)[C@H](O[C@@H]2CO)Oc3ccc(c
    c3)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1
    O    		 4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GALACTOPYRANOSIDE;
    P-NITROPHENYL MALTOSIDE
    30084
    NPK
    ZINC000095920565    		 5 C20 H23 N3 O9 S InChI=1S/C20H23N3O9S/c1-1
    0(11-6-14-15(31-9-30-14)7
    -12(11)23(28)29)32-20(27)
    22-13-8-33-16(18(13)21-19
    (22)26)4-2-3-5-17(24)25/h
    6-7,10,13,16,18H,2-5,8-9H
    2,1H3,(H,21,26)(H,24,25)/
    t10-,13+,16-,18+/m1/s1;
    MVOCLTWEOIJKEV-JTWAPGJUSA-N    		 C[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)OC(=O
    )N3[C@H]4CS[C@@H]([C@H]4NC3=O)CCCCC(=O)O
    ; CC(c1cc2c(cc1[N+](=O)[O-])OCO2)OC(=O)N
    3C4CSC(C4NC3=O)CCCCC(=O)O; C[CH](OC(=O)N
    1[CH]2CS[CH](CCCCC(O)=O)[CH]2NC1=O)c3cc4
    OCOc4cc3[N+]([O-])=O; C[C@@H](OC(=O)N1[C
    @H]2CS[C@H](CCCCC(O)=O)[C@H]2NC1=O)c3cc4
    OCOc4cc3[N+]([O-])=O; [O-][N+](=O)c1cc4O
    COc4cc1C(OC(=O)N2C(=O)NC3C(SCC23)CCCCC(=
    O)O)C    		 5-[(3aS,4R,6aR)-1-{[(1R)-1-(6-nitro-1,3-benzodioxol-5-yl)ethoxy]carbonyl}-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
    30085
    NPL
    ZINC000006232635    		 2 C9 H16 N2 O5 P InChI=1S/C9H15N2O5P/c1-6-
    9(12)8(3-10)7(4-11(6)2)5-
    16-17(13,14)15/h4H,3,5,10
    H2,1-2H3,(H2-,12,13,14,15
    )/p+1;
    BDHMQTZHNOSTBZ-UHFFFAOYSA-O    		 Cc1c(O)c(CN)c(CO[P](O)(O)=O)c[n+]1C; Cc1
    c(c(c(c[n+]1C)COP(=O)(O)O)CN)O; O=P(O)(O
    )OCc1c[n+](c(c(O)c1CN)C)C    		 N-METHYL-4-DEOXY-4-AMINO-PYRIDOXAL-5-PHOSPHATE
    30086
    NPM
    ZINC000001045493    		 0 C25 H20 N4 InChI=1S/C25H20N4/c1-3-15
    -26-24(5-1)18-28-22-11-7-
    20(8-12-22)17-21-9-13-23(
    14-10-21)29-19-25-6-2-4-1
    6-27-25/h1-16,18-19H,17H2
    /b28-18+,29-19+;
    OMZVNZJNZUGOJK-UOSOPFLXSA-N    		 c1ccnc(c1)\C=N\c2ccc(cc2)Cc3ccc(cc3)/N=C
    /c4ccccn4; N(/c1ccc(cc1)Cc3ccc(/N=C/c2nc
    ccc2)cc3)=C\c4ncccc4; C(c1ccc(cc1)N=Cc2c
    cccn2)c3ccc(cc3)N=Cc4ccccn4; c1ccnc(c1)C
    =Nc2ccc(cc2)Cc3ccc(cc3)N=Cc4ccccn4    		 N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE;
    1,1-BIS(N-(4-PHENYL)-2-PYRIDYLCARBOXALDIMINE)METHANE
    30087
    NPN
    DB04050    		 4 C4 H7 N InChI=1S/C4H7N/c1-3-4-5-2
    /h3-4H2,1H3;
    FFDKYFGBIQQMSR-UHFFFAOYSA-N    		 isocyanide; CCC[N+]#[C-] N-PROPYL ISOCYANIDE
    30088
    NPO
    CHEMBL14130
    DB04417
    ZINC000034828682    		 127 C6 H5 N O3 InChI=1S/C6H5NO3/c8-6-3-1
    -5(2-4-6)7(9)10/h1-4,8H;
    BTJIUGUIPKRLHP-UHFFFAOYSA-N    		 Oc1ccc(cc1)[N+]([O-])=O; O=[N+]([O-])c1c
    cc(O)cc1; c1cc(ccc1[N+](=O)[O-])O    		 P-NITROPHENOL
    30089
    NPP    		 1 C17 H27 N6 O5 InChI=1S/C17H27N6O5/c1-16
    (2)9-11(10-17(3,4)23(16)2
    8)20-13-7-12(19-6-5-18)14
    (21(24)25)8-15(13)22(26)2
    7/h7-8,11,19-20H,5-6,9-10
    ,18H2,1-4H3/q-1;
    FOFORQYTEPGQOY-UHFFFAOYSA-N    		 [O-]N2C(CC(Nc1cc(NCCN)c([N+]([O-])=O)cc1
    [N+]([O-])=O)CC2(C)C)(C)C; CC1(C)CC(CC(C
    )(C)N1[O-])Nc2cc(NCCN)c(cc2[N+]([O-])=O)
    [N+]([O-])=O; CC1(CC(CC(N1[O-])(C)C)Nc2c
    c(c(cc2[N+](=O)[O-])[N+](=O)[O-])NCCN)C    		 N-(2-AMINO-ETHYL)-4,6-DINITRO-N'-(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-4-YL)-BENZENE-1,3-DIAMINE
    30090
    NPQ
    ZINC000000128209    		 10 C15 H15 N O3 InChI=1S/C15H15NO3/c1-10(
    17)16-14(15(18)19)9-11-6-
    7-12-4-2-3-5-13(12)8-11/h
    2-8,14H,9H2,1H3,(H,16,17)
    (H,18,19)/t14-/m0/s1;
    HGTIILKZSFKZMS-AWEZNQCLSA-N    		 CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)O; CC(=O)N
    [C@@H](Cc1ccc2ccccc2c1)C(=O)O; CC(=O)N[C
    H](Cc1ccc2ccccc2c1)C(O)=O; CC(=O)N[C@@H]
    (Cc1ccc2ccccc2c1)C(O)=O    		 N-acetyl naphthylalanine
    30091
    NPR    		 17 C9 H13 N5 O4 InChI=1S/C9H13N5O4/c10-9-
    13-7-5(8(18)14-9)12-3(1-1
    1-7)6(17)4(16)2-15/h4,6,1
    5-17H,1-2H2,(H4,10,11,13,
    14,18)/t4-,6-/m0/s1;
    YQIFAMYNGGOTFB-NJGYIYPDSA-N    		 NC1=NC(=O)C2=C(NCC(=N2)[CH](O)[CH](O)CO)
    N1; C1C(=NC2=C(N1)NC(=NC2=O)N)C(C(CO)O)O
    ; NC1=NC(=O)C2=C(NCC(=N2)[C@H](O)[C@@H](
    O)CO)N1; O=C1N=C(NC=2NCC(=NC1=2)C(O)C(O)
    CO)N; C1C(=NC2=C(N1)NC(=NC2=O)N)[C@@H]([
    C@@H](CO)O)O    		 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE;
    7,8-DIHYDRONEOPTERIN
    30092
    NPS
    CHEMBL154
    DB00788
    ZINC000000105216    		 23 C14 H14 O3 InChI=1S/C14H14O3/c1-9(14
    (15)16)10-3-4-12-8-13(17-
    2)6-5-11(12)7-10/h3-9H,1-
    2H3,(H,15,16)/t9-/m0/s1;
    CMWTZPSULFXXJA-VIFPVBQESA-N    		 CC(c1ccc2cc(ccc2c1)OC)C(=O)O; COc1ccc2cc
    (ccc2c1)[C@H](C)C(O)=O; O=C(O)C(c1ccc2c(
    c1)ccc(OC)c2)C; C[C@@H](c1ccc2cc(ccc2c1)
    OC)C(=O)O; COc1ccc2cc(ccc2c1)[CH](C)C(O)
    =O    		 (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;
    NAPROXEN
    30093
    NPT
    ZINC000001648992    		 0 C5 H13 N InChI=1S/C5H13N/c1-5(2,3)
    4-6/h4,6H2,1-3H3;
    XDIAMRVROCPPBK-UHFFFAOYSA-N    		 CC(C)(C)CN; NCC(C)(C)C NEOPENTYLAMINE
    30094
    NPU
    CHEMBL1788114
    ZINC000000157548    		 1 C9 H13 N O InChI=1S/C9H13NO/c1-7(10)
    9(11)8-5-3-2-4-6-8/h2-7,9
    ,11H,10H2,1H3/t7-,9+/m1/s
    1;
    DLNKOYKMWOXYQA-APPZFPTMSA-N    		 CC(C(c1ccccc1)O)N; C[CH](N)[CH](O)c1cccc
    c1; OC(c1ccccc1)C(N)C; C[C@H]([C@@H](c1c
    cccc1)O)N; C[C@@H](N)[C@H](O)c1ccccc1    		 (1R,2R)-2-amino-1-phenylpropan-1-ol
    30095
    NPV
    CHEMBL74078
    DB08299    		 5 C21 H13 N3 O4 InChI=1S/C21H13N3O4/c25-2
    1(26)14-8-6-13(7-9-14)18-
    12-16-4-2-10-22-19(16)20(
    23-18)15-3-1-5-17(11-15)2
    4(27)28/h1-12H,(H,25,26);
    QTNUWEKKZHSUQO-UHFFFAOYSA-N    		 OC(=O)c1ccc(cc1)c2cc3cccnc3c(n2)c4cccc(c
    4)[N+]([O-])=O; [O-][N+](=O)c1cccc(c1)c3
    nc(cc2c3nccc2)c4ccc(C(=O)O)cc4; c1cc(cc(
    c1)[N+](=O)[O-])c2c3c(cccn3)cc(n2)c4ccc(
    cc4)C(=O)O    		 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid
    30096
    NPW
    ZINC000008219707    		 3 C21 H32 N7 O18 P3 InChI=1S/C21H32N7O18P3/c2
    2-17-12-19(25-6-24-17)28(
    7-26-12)21-16(45-47(34,35
    )36)14(31)10(44-21)5-42-4
    9(39,40)46-48(37,38)41-4-
    9-13(30)15(32)20(43-9)27-
    3-8(18(23)33)1-2-11(27)29
    /h3,6-7,9-11,13-16,20-21,
    29-32H,1-2,4-5H2,(H2,23,3
    3)(H,37,38)(H,39,40)(H2,2
    2,24,25)(H2,34,35,36)/t9-
    ,10-,11+,13-,14-,15-,16-,
    20-,21-/m1/s1;
    SZKXTJUOKARGIY-VPHRTNKSSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H
    ]4[C@H]([C@H]([C@@H](O4)N5C=C(CC[C@@H]5O
    )C(=O)N)O)O)O)OP(=O)(O)O)N; NC(=O)C1=CN(
    [CH](O)CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O
    )(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]
    3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O; NC(=O
    )C1=CN([C@@H](O)CC1)[C@@H]2O[C@H](CO[P](
    O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O[
    P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@
    @H](O)[C@H]2O; c1nc(c2c(n1)n(cn2)C3C(C(C
    (O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=
    C(CCC5O)C(=O)N)O)O)O)OP(=O)(O)O)N    		 BETA-6-HYDROXY-1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE
    30097
    NPX
    CHEMBL1618254
    ZINC000000113439    		 13 C14 H14 O3 InChI=1S/C14H14O3/c1-9(14
    (15)16)10-3-4-12-8-13(17-
    2)6-5-11(12)7-10/h3-9H,1-
    2H3,(H,15,16)/t9-/m1/s1;
    CMWTZPSULFXXJA-SECBINFHSA-N    		 CC(c1ccc2cc(ccc2c1)OC)C(=O)O; C[C@H](c1c
    cc2cc(ccc2c1)OC)C(=O)O; COc1ccc2cc(ccc2c
    1)[C@@H](C)C(O)=O; O=C(O)C(c1ccc2c(c1)cc
    c(OC)c2)C; COc1ccc2cc(ccc2c1)[CH](C)C(O)
    =O    		 (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid;
    (R)-Naproxen
    30098
    NPY
    CHEMBL16293
    ZINC000000967522    		 3 C10 H8 InChI=1S/C10H8/c1-2-6-10-
    8-4-3-7-9(10)5-1/h1-8H;
    UFWIBTONFRDIAS-UHFFFAOYSA-N    		 c12ccccc1cccc2; c1ccc2ccccc2c1 NAPHTHALENE
    30099
    NPZ
    CHEMBL1234815
    DB08300
    ZINC000020149030    		 1 C16 H13 N5 InChI=1S/C16H13N5/c1-21-1
    6-13(15(17)18-9-19-16)14(
    20-21)12-7-6-10-4-2-3-5-1
    1(10)8-12/h2-9H,1H3,(H2,1
    7,18,19);
    UOKGZPYGRJDACN-UHFFFAOYSA-N    		 Cn1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N; n1c
    (c2c(nc1)n(nc2c4cc3ccccc3cc4)C)N; Cn1nc(
    c2ccc3ccccc3c2)c4c(N)ncnc14    		 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
    30100
    NQ
    CHEMBL240963
    DB04744
    ZINC000004632115    		 2 C10 H6 O3 InChI=1S/C10H6O3/c11-8-5-
    9(12)10(13)7-4-2-1-3-6(7)
    8/h1-5,12H;
    CSFWPUWCSPOLJW-UHFFFAOYSA-N    		 OC1=CC(=O)c2ccccc2C1=O; O=C2c1c(cccc1)C(
    =O)C(O)=C2; c1ccc2c(c1)C(=O)C=C(C2=O)O    		 2-HYDROXYNAPHTHOQUINONE;
    2-HYDROXY-1,4-NAPHTHOQUINONE
    30101
    NQ0    		 1 C18 H23 Cl2 N3 O2 InChI=1S/C18H23Cl2N3O2/c1
    9-11-16(24)21-12-13-5-9-2
    3(10-6-13)17(25)18(7-8-18
    )22-15-3-1-14(20)2-4-15/h
    1-4,13,22H,5-12H2,(H,21,2
    4);
    DHBSEKKUOIXZLH-UHFFFAOYSA-N    		 ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC2)Nc3ccc(C
    l)cc3; c1cc(ccc1NC2(CC2)C(=O)N3CCC(CC3)C
    NC(=O)CCl)Cl    		 2-chloranyl-N-[[1-[1-[(4-chlorophenyl)amino]cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide
    30102
    NQ1
    CHEMBL4520903    		 6 C20 H15 F N2 O InChI=1S/C20H15FN2O/c21-1
    5-10-11-18-19(12-15)23(13
    -14-6-2-1-3-7-14)20(24)16
    -8-4-5-9-17(16)22-18/h1-1
    2,22H,13H2;
    NKFCUHMOEKHJLB-UHFFFAOYSA-N    		 c1ccc(cc1)CN2c3cc(ccc3Nc4ccccc4C2=O)F; c
    32C(N(c1cc(F)ccc1Nc2cccc3)Cc4ccccc4)=O;
    Fc1ccc2Nc3ccccc3C(=O)N(Cc4ccccc4)c2c1    		 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
    30103
    NQ2
    CHEMBL4556087    		 1 C25 H35 N3 O6 S InChI=1S/C25H35N3O6S/c1-2
    5(2,29)20-5-7-28(8-6-20)9
    -10-34-23-13-17(11-19-15-
    33-16-21(19)23)18-12-22(2
    7-35(4,30)31)24(32-3)26-1
    4-18/h11-14,20,27,29H,5-1
    0,15-16H2,1-4H3;
    YTBODSVQSOILIJ-UHFFFAOYSA-N    		 COc1ncc(cc1N[S](C)(=O)=O)c2cc3COCc3c(OCC
    N4CCC(CC4)C(C)(C)O)c2; CC(C)(C1CCN(CC1)C
    COc2cc(cc3c2COC3)c4cc(c(nc4)OC)NS(=O)(=O
    )C)O    		 ~{N}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide
    30104
    NQ3    		 1 C15 H12 Cl N3 O InChI=1S/C15H12ClN3O/c1-1
    1-5-6-17-10-14(11)19-8-7-
    18(15(19)20)13-4-2-3-12(1
    6)9-13/h2-10H,1H3;
    NCRWUWJGTHEGCI-UHFFFAOYSA-N    		 Cc1ccncc1N2C=CN(c3cccc(Cl)c3)C2=O; Cc1cc
    ncc1N2C=CN(C2=O)c3cccc(c3)Cl; Clc1cccc(c
    1)N1C=CN(c2cnccc2C)C1=O    		 (1M,3P)-1-(3-chlorophenyl)-3-(4-methylpyridin-3-yl)-1,3-dihydro-2H-imidazol-2-one
    30105
    NQ4    		 1 C9 H16 N3 O12 P3 InChI=1S/C9H16N3O12P3/c10
    -7-3-4-12(9(13)11-7)8-2-1
    -6(22-8)5-21-26(17,18)24-
    27(19,20)23-25(14,15)16/h
    3-4,6,8H,1-2,5H2,(H,17,18
    )(H,19,20)(H2,10,11,13)(H
    2,14,15,16)/t6-,8+/m1/s1;
    ARLKCWCREKRROD-SVRRBLITSA-N    		 NC1=NC(=O)N(C=C1)[C@@H]2CC[C@H](CO[P](O)
    (=O)O[P](O)(=O)O[P](O)(O)=O)O2; C1CC(OC1
    COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC
    2=O)N; C1C[C@H](O[C@H]1COP(=O)(O)OP(=O)(
    O)OP(=O)(O)O)N2C=CC(=NC2=O)N; NC1=NC(=O)
    N(C=C1)[CH]2CC[CH](CO[P](O)(=O)O[P](O)(=
    O)O[P](O)(O)=O)O2    		 [[(2~{R},5~{S})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
    30106
    NQ5
    CHEMBL4579923    		 1 C25 H33 N3 O8 S InChI=1S/C25H33N3O8S/c1-3
    1-5-6-37(29,30)27-23-8-18
    (10-26-25(23)32-2)17-7-19
    -12-33-16-22(19)24(9-17)3
    6-15-21-11-28(3-4-35-21)2
    0-13-34-14-20/h7-10,20-21
    ,27H,3-6,11-16H2,1-2H3/t2
    1-/m1/s1;
    ZWPJBXLFZFLGMV-OAQYLSRUSA-N    		 COCC[S](=O)(=O)Nc1cc(cnc1OC)c2cc3COCc3c(
    OC[C@H]4CN(CCO4)C5COC5)c2; COCCS(=O)(=O)
    Nc1cc(cnc1OC)c2cc3c(c(c2)OC[C@H]4CN(CCO4
    )C5COC5)COC3; COCCS(=O)(=O)Nc1cc(cnc1OC)
    c2cc3c(c(c2)OCC4CN(CCO4)C5COC5)COC3; COC
    C[S](=O)(=O)Nc1cc(cnc1OC)c2cc3COCc3c(OC[
    CH]4CN(CCO4)C5COC5)c2    		 2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide
    30107
    NQ6    		 2 C9 H11 N3 O3 InChI=1S/C9H11N3O3/c10-6(
    9(14)15)5-8(13)12-7-3-1-2
    -4-11-7/h1-4,6H,5,10H2,(H
    ,14,15)(H,11,12,13)/t6-/m
    0/s1;
    HEYRGJOINQMKAJ-LURJTMIESA-N    		 N[CH](CC(=O)Nc1ccccn1)C(O)=O; c1ccnc(c1)
    NC(=O)CC(C(=O)O)N; c1ccnc(c1)NC(=O)C[C@@
    H](C(=O)O)N; O=C(Nc1ccccn1)CC(N)C(=O)O;
    N[C@@H](CC(=O)Nc1ccccn1)C(O)=O    		 N-(pyridin-2-yl)-L-asparagine
    30108
    NQ7    		 4 C13 H13 N3 O2 InChI=1S/C13H13N3O2/c1-7(
    11-12(17)16-13(14)18-11)9
    -6-15-10-5-3-2-4-8(9)10/h
    2-7,11,15H,1H3,(H2,14,16,
    17)/t7-,11+/m1/s1;
    JMQXZRUQJGJVSC-HQJQHLMTSA-N    		 C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O
    3)N; C[CH]([CH]1OC(=NC1=O)N)c2c[nH]c3ccc
    cc23; c2cccc3ncc(C(C)C1C(=O)N=C(O1)N)c23
    ; C[C@@H]([C@@H]1OC(=NC1=O)N)c2c[nH]c3cc
    ccc23; CC(c1c[nH]c2c1cccc2)C3C(=O)N=C(O3
    )N    		 (5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one
    30109
    NQ8
    ZINC000004721039    		 2 C19 H30 O InChI=1S/C19H30O/c1-18-9-
    3-4-16(18)15-6-5-13-12-14
    (20)7-11-19(13,2)17(15)8-
    10-18/h13,15-17H,3-12H2,1
    -2H3/t13-,15-,16-,17-,18-
    ,19-/m0/s1;
    VMNRNUNYBVFVQI-QYXZOKGRSA-N    		 C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4CC(=O)CC
    [C@@]4([C@H]3CC2)C; C[C]12CCC[CH]1[CH]3C
    C[CH]4CC(=O)CC[C]4(C)[CH]3CC2; CC12CCCC1
    C3CCC4CC(=O)CCC4(C3CC2)C; C[C@@]12CCC[C@
    H]1[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3
    CC2    		 (5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
    30110
    NQ9    		 1 C21 H29 Cl2 N3 O3 InChI=1S/C21H29Cl2N3O3/c2
    2-13-19(27)25-14-15-7-11-
    26(12-8-15)20(28)21(9-5-1
    7(24)6-10-21)29-18-3-1-16
    (23)2-4-18/h1-4,15,17H,5-
    14,24H2,(H,25,27)/t17-,21
    +;
    KWPFQQCLIJGRNM-UEDWGHLCSA-N    		 N[CH]1CC[C](CC1)(Oc2ccc(Cl)cc2)C(=O)N3CC
    [CH](CC3)CNC(=O)CCl; c1cc(ccc1OC2(CCC(CC
    2)N)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl; N[C@H]
    1CC[C@](CC1)(Oc2ccc(Cl)cc2)C(=O)N3CC[C@@
    H](CC3)CNC(=O)CCl    		 N-[[1-[4-azanyl-1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide
    30111
    NQB
    CHEMBL2031465
    ZINC000084651956    		 1 C24 H27 N5 O2 InChI=1S/C24H27N5O2/c1-16
    -3-4-17(23(30)26-18-5-6-1
    8)13-22(16)29-15-25-21-8-
    7-19(14-20(21)24(29)31)28
    -11-9-27(2)10-12-28/h3-4,
    7-8,13-15,18H,5-6,9-12H2,
    1-2H3,(H,26,30);
    ZMAZXHICVRYLQN-UHFFFAOYSA-N    		 CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(ccc
    4C)C(=O)NC5CC5; Cc1ccc(cc1N2C=Nc3ccc(cc3
    C2=O)N4CCN(CC4)C)C(=O)NC5CC5; O=C(NC1CC1
    )c2cc(c(cc2)C)N3C(=O)c4cc(ccc4N=C3)N5CCN
    (C)CC5    		 N-CYCLOPROPYL-4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]BENZAMIDE
    30112
    NQC    		 1 C25 H21 Cl N2 O5 InChI=1S/C25H21ClN2O5/c1-
    14-17(23(31)22-19(29)7-4-
    8-20(22)30)9-10-18-21(14)
    24(32)28(25(33)27(18)2)12
    -11-15-5-3-6-16(26)13-15/
    h3-7,9-10,13,29H,8,11-12H
    2,1-2H3;
    VETBCFZZZDFSIR-UHFFFAOYSA-N    		 Cc1c(ccc2c1C(=O)N(C(=O)N2C)CCc3cccc(c3)C
    l)C(=O)C4=C(C=CCC4=O)O; CN1C(=O)N(CCc2cc
    cc(Cl)c2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)
    C=CCC4=O    		 3-[2-(3-chlorophenyl)ethyl]-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)carbonyl-quinazoline-2,4-dione
    30113
    NQD
    ZINC000238752930    		 4 C27 H38 O4 InChI=1S/C27H38O4/c1-19(1
    1-7-13-21(3)26(29)30)9-6-
    10-20(2)12-8-15-27(5)16-1
    4-23-18-24(28)17-22(4)25(
    23)31-27/h9,12-13,17-18,2
    8H,6-8,10-11,14-16H2,1-5H
    3,(H,29,30)/b19-9+,20-12+
    ,21-13-/t27-/m1/s1;
    QOFWRHWADNWKSU-HGPKLCRWSA-N    		 C\C(CC\C=C(\C)C(O)=O)=C/CC\C(C)=C\CC[C@]
    1(C)CCc2cc(O)cc(C)c2O1; C(C\C(=C\CCC2(C)
    CCc1cc(cc(c1O2)C)O)C)[C@H]=C(C)CC\C=C(/C
    (=O)O)C; Cc1cc(cc2c1O[C@](CC2)(C)CC/C=C(
    \C)/CC/C=C(\C)/CC/C=C(/C)\C(=O)O)O; CC(C
    CC=C(C)C(O)=O)=CCCC(C)=CCC[C]1(C)CCc2cc(
    O)cc(C)c2O1; Cc1cc(cc2c1OC(CC2)(C)CCC=C(
    C)CCC=C(C)CCC=C(C)C(=O)O)O    		 (2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid;
    garcinoic acid
    30114
    NQE
    CHEMBL4471490
    ZINC000075094274    		 1 C15 H13 N5 O InChI=1S/C15H13N5O/c1-19-
    12-6-5-11(8-13(12)20(2)15
    (19)21)18-14-10(9-16)4-3-
    7-17-14/h3-8H,1-2H3,(H,17
    ,18);
    PLONIHFWCNPQPN-UHFFFAOYSA-N    		 CN1c2ccc(cc2N(C1=O)C)Nc3c(cccn3)C#N; CN1
    C(=O)N(C)c2cc(Nc3ncccc3C#N)ccc12    		 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile
    30115
    NQF
    CHEMBL5221942    		 8 C23 H24 N4 O3 InChI=1S/C23H24N4O3/c1-14
    -17-5-3-4-6-19(17)30-20(1
    4)13-27(2)21(28)10-7-15-1
    1-16-8-9-18(24)23(29)26-2
    2(16)25-12-15/h3-7,10-12,
    18H,8-9,13,24H2,1-2H3,(H,
    25,26,29)/b10-7+/t18-/m1/
    s1;
    ZWQNEFFHBSGFHV-RUJXFNLJSA-N    		 NC1CCc2cc(cnc2NC1=O)/C=C/C(=O)N(C)Cc1oc2
    ccccc2c1C; CN(Cc1oc2ccccc2c1C)C(=O)C=Cc3
    cnc4NC(=O)[CH](N)CCc4c3; Cc1c2ccccc2oc1C
    N(C)C(=O)/C=C/c3cc4c(nc3)NC(=O)[C@@H](CC
    4)N; CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c3cnc4
    NC(=O)[C@H](N)CCc4c3; Cc1c2ccccc2oc1CN(C
    )C(=O)C=Cc3cc4c(nc3)NC(=O)C(CC4)N    		 (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
    30116
    NQG
    ZINC000016052252    		 1 C28 H39 N9 O7 InChI=1S/C28H39N9O7/c1-2-
    44-23(39)14-22(38)27(43)3
    6-19(9-5-11-29)25(41)35-2
    0(10-6-12-33-28(31)32)26(
    42)37-21(24(30)40)13-16-1
    5-34-18-8-4-3-7-17(16)18/
    h3-4,7-8,15,19-22,34,38H,
    2,5-6,9-10,12-14H2,1H3,(H
    2,30,40)(H,35,41)(H,36,43
    )(H,37,42)(H4,31,32,33)/t
    19-,20-,21-,22-/m0/s1;
    QRCIRXHNWBRPBN-CMOCDZPBSA-N    		 O=C(OCC)CC(O)C(=O)NC(C(=O)NC(C(=O)NC(C(=
    O)N)Cc2c1ccccc1nc2)CCCNC(=[N@H])N)CCC#N;
    [H]/N=C(/N)\NCCC[C@@H](C(=O)N[C@@H](Cc1
    c[nH]c2c1cccc2)C(=O)N)NC(=O)[C@H](CCC#N)
    NC(=O)[C@H](CC(=O)OCC)O; CCOC(=O)C[CH](O
    )C(=O)N[CH](CCC#N)C(=O)N[CH](CCCNC(N)=N)
    C(=O)N[CH](Cc1c[nH]c2ccccc12)C(N)=O; CCO
    C(=O)C[C@H](O)C(=O)N[C@@H](CCC#N)C(=O)N[
    C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2
    ccccc12)C(N)=O; [H]N=C(N)NCCCC(C(=O)NC(C
    c1c[nH]c2c1cccc2)C(=O)N)NC(=O)C(CCC#N)NC
    (=O)C(CC(=O)OCC)O    		 5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE
    30117
    NQH
    CHEMBL4464160    		 1 C10 H10 Cl N3 InChI=1S/C10H10ClN3/c11-1
    0-8(5-12)9(3-4-13-10)14-6
    -7-1-2-7/h3-4,7H,1-2,6H2,
    (H,13,14);
    NLBNRXHKCJFZBY-UHFFFAOYSA-N    		 c1cnc(c(c1NCC2CC2)C#N)Cl; Clc1nccc(NCC2C
    C2)c1C#N    		 2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile
    30118
    NQI
    ZINC000016052253    		 1 C28 H40 N8 O7 InChI=1S/C28H40N8O7/c1-3-
    8-19(35-27(42)22(37)14-23
    (38)43-4-2)25(40)34-20(11
    -7-12-32-28(30)31)26(41)3
    6-21(24(29)39)13-16-15-33
    -18-10-6-5-9-17(16)18/h3,
    5-6,9-10,15,19-22,33,37H,
    1,4,7-8,11-14H2,2H3,(H2,2
    9,39)(H,34,40)(H,35,42)(H
    ,36,41)(H4,30,31,32)/t19-
    ,20-,21-,22+/m0/s1;
    ZPQHLTRUUXVSLS-MYGLTJDJSA-N    		 CCOC(=O)C[CH](O)C(=O)N[CH](CC=C)C(=O)N[C
    H](CCCNC(N)=N)C(=O)N[CH](Cc1c[nH]c2ccccc
    12)C(N)=O; [H]N=C(N)NCCCC(C(=O)NC(Cc1c[n
    H]c2c1cccc2)C(=O)N)NC(=O)C(CC=C)NC(=O)C(
    CC(=O)OCC)O; [H]/N=C(\N)/NCCC[C@@H](C(=O
    )N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)
    [C@H](CC=C)NC(=O)[C@@H](CC(=O)OCC)O; CCO
    C(=O)C[C@@H](O)C(=O)N[C@@H](CC=C)C(=O)N[
    C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2
    ccccc12)C(N)=O; O=C(OCC)CC(O)C(=O)NC(C(=
    O)NC(C(=O)NC(C(=O)N)Cc2c1ccccc1nc2)CCCNC
    (=[N@H])N)C\C=C    		 N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]AMINO}PENT-4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE
    30119
    NQJ
    CHEMBL4560286    		 1 C23 H20 Cl F3 N2 O5 S2 InChI=1S/C23H20ClF3N2O5S2
    /c1-13-10-19(20(30)28-18(
    21(31)34-2)11-14-6-4-3-5-
    7-14)35-22(13)36(32,33)29
    -17-12-15(23(25,26)27)8-9
    -16(17)24/h3-10,12,18,29H
    ,11H2,1-2H3,(H,28,30)/t18
    -/m1/s1;
    YYXGZAWTALWJLJ-GOSISDBHSA-N    		 Cc1cc(sc1S(=O)(=O)Nc2cc(ccc2Cl)C(F)(F)F)
    C(=O)N[C@H](Cc3ccccc3)C(=O)OC; COC(=O)[C
    H](Cc1ccccc1)NC(=O)c2sc(c(C)c2)[S](=O)(=
    O)Nc3cc(ccc3Cl)C(F)(F)F; COC(C(Cc1ccccc1
    )NC(c3cc(C)c(S(Nc2c(ccc(c2)C(F)(F)F)Cl)(
    =O)=O)s3)=O)=O; Cc1cc(sc1S(=O)(=O)Nc2cc(
    ccc2Cl)C(F)(F)F)C(=O)NC(Cc3ccccc3)C(=O)O
    C; COC(=O)[C@@H](Cc1ccccc1)NC(=O)c2sc(c(
    C)c2)[S](=O)(=O)Nc3cc(ccc3Cl)C(F)(F)F    		 methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate
    30120
    NQK
    CHEMBL4542555    		 1 C15 H12 Cl N5 O InChI=1S/C15H12ClN5O/c1-2
    0-12-4-3-9(7-13(12)21(2)1
    5(20)22)19-11-5-6-18-14(1
    6)10(11)8-17/h3-7H,1-2H3,
    (H,18,19);
    OTSZAULBNXSOMT-UHFFFAOYSA-N    		 CN1C(=O)N(C)c2cc(Nc3ccnc(Cl)c3C#N)ccc12;
    CN1c2ccc(cc2N(C1=O)C)Nc3ccnc(c3C#N)Cl    		 2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile
    30121
    NQL    		 1 C20 H29 Cl N4 O2 InChI=1S/C20H29ClN4O2/c21
    -14-18(26)23-15-16-6-12-2
    5(13-7-16)19(27)20(8-10-2
    2-11-9-20)24-17-4-2-1-3-5
    -17/h1-5,16,22,24H,6-15H2
    ,(H,23,26);
    XANXFUXIXRLBSI-UHFFFAOYSA-N    		 c1ccc(cc1)NC2(CCNCC2)C(=O)N3CCC(CC3)CNC(
    =O)CCl; ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNC
    C2)Nc3ccccc3    		 2-chloranyl-N-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide
    30122
    NQM    		 4 C7 H6 O7 InChI=1S/C7H6O7/c8-4(7(13
    )14)1-3(6(11)12)2-5(9)10/
    h2H,1H2,(H,9,10)(H,11,12)
    (H,13,14)/b3-2+;
    ODTDYYZJDQGKQT-NSCUHMNNSA-N    		 OC(=O)C=C(CC(=O)C(O)=O)C(O)=O; O=C(C(CC(
    =C/C(O)=O)\C(O)=O)=O)O; C(/C(=C\C(=O)O)/
    C(=O)O)C(=O)C(=O)O; C(C(=CC(=O)O)C(=O)O)
    C(=O)C(=O)O; OC(=O)\C=C(CC(=O)C(O)=O)\C(
    O)=O    		 (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid
    30123
    NQN
    CHEMBL4550751    		 1 C18 H18 Cl N5 O2 InChI=1S/C18H18ClN5O2/c1-
    11(25)6-8-24-16-9-12(3-4-
    15(16)23(2)18(24)26)22-14
    -5-7-21-17(19)13(14)10-20
    /h3-5,7,9,11,25H,6,8H2,1-
    2H3,(H,21,22)/t11-/m1/s1;
    YEBUIPXITBJLFQ-LLVKDONJSA-N    		 CC(CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)C
    l)O; C[CH](O)CCN1C(=O)N(C)c2ccc(Nc3ccnc(
    Cl)c3C#N)cc12; C[C@H](CCN1c2cc(ccc2N(C1=
    O)C)Nc3ccnc(c3C#N)Cl)O; C[C@@H](O)CCN1C(
    =O)N(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12    		 2-chloranyl-4-[[1-methyl-3-[(3~{R})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
    30124
    NQO    		 1 C13 H12 Cl N3 O InChI=1S/C13H12ClN3O/c1-9
    -5-6-15-17-13(9)16-12(18)
    8-10-3-2-4-11(14)7-10/h2-
    7H,8H2,1H3,(H,16,17,18);
    ZNGNXXLXHHJCCJ-UHFFFAOYSA-N    		 Cc1ccnnc1NC(=O)Cc2cccc(Cl)c2; Cc1ccnnc1N
    C(=O)Cc2cccc(c2)Cl; Cc1ccnnc1NC(=O)Cc1cc
    cc(Cl)c1    		 2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide
    30125
    NQP
    CHEMBL4474288    		 2 C31 H42 N6 O4 InChI=1S/C31H42N6O4/c1-5-
    6-15-36-26-9-10-28(34-29(
    26)37(21(2)31(36)39)24-13
    -18-41-19-14-24)33-25-8-7
    -22(20-27(25)40-4)30(38)3
    2-23-11-16-35(3)17-12-23/
    h5,7-10,20-21,23-24H,1,6,
    11-19H2,2-4H3,(H,32,38)(H
    ,33,34)/t21-/m1/s1;
    YEZKKIMJJAQTOO-OAQYLSRUSA-N    		 CC1C(=O)N(c2ccc(nc2N1C3CCOCC3)Nc4ccc(cc4
    OC)C(=O)NC5CCN(CC5)C)CCC=C; C[C@@H]1C(=O
    )N(c2ccc(nc2N1C3CCOCC3)Nc4ccc(cc4OC)C(=O
    )NC5CCN(CC5)C)CCC=C; [C@H](=C)CCN5c3ccc(
    Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC)nc3N(C4CC
    OCC4)C(C5=O)C; COc1cc(ccc1Nc2ccc3N(CCC=C
    )C(=O)[CH](C)N(C4CCOCC4)c3n2)C(=O)NC5CCN
    (C)CC5; COc1cc(ccc1Nc2ccc3N(CCC=C)C(=O)[
    C@@H](C)N(C4CCOCC4)c3n2)C(=O)NC5CCN(C)CC
    5    		 4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
    30126
    NQQ
    CHEMBL4572689    		 1 C19 H20 Cl N5 O2 InChI=1S/C19H20ClN5O2/c1-
    19(2,27)7-9-25-16-10-12(4
    -5-15(16)24(3)18(25)26)23
    -14-6-8-22-17(20)13(14)11
    -21/h4-6,8,10,27H,7,9H2,1
    -3H3,(H,22,23);
    MSNMXJGUICGVME-UHFFFAOYSA-N    		 CC(C)(CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#
    N)Cl)O; CN1C(=O)N(CCC(C)(C)O)c2cc(Nc3ccn
    c(Cl)c3C#N)ccc12    		 2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
    30127
    NQR
    ZINC000004902118    		 1 C18 H18 N2 O2 InChI=1S/C18H18N2O2/c1-12
    -14-11-16(18(21)20-9-5-2-
    6-10-20)22-17(14)13-7-3-4
    -8-15(13)19-12/h3-4,7-8,1
    1H,2,5-6,9-10H2,1H3;
    CKBASHMUSIQRHS-UHFFFAOYSA-N    		 Cc1nc2ccccc2c2oc(cc12)C(=O)N1CCCCC1; Cc1
    c2cc(oc2c3ccccc3n1)C(=O)N4CCCCC4; Cc1nc2
    ccccc2c3oc(cc13)C(=O)N4CCCCC4    		 (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone
    30128
    NQS
    CHEMBL4475735
    ZINC000001729754    		 2 C12 H10 O3 S InChI=1S/C12H10O3S/c13-5-
    6-16-11-7-10(14)8-3-1-2-4
    -9(8)12(11)15/h1-4,7,13H,
    5-6H2;
    IBLOZMPODBITIK-UHFFFAOYSA-N    		 O=C2c1c(cccc1)C(=O)C(SCCO)=C2; c1ccc2c(c
    1)C(=O)C=C(C2=O)SCCO; OCCSC1=CC(=O)c2ccc
    cc2C1=O    		 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione
    30129
    NQT
    CHEMBL4451702    		 1 C22 H26 Cl N7 O2 InChI=1S/C22H26ClN7O2/c1-
    13-10-14(2)30(27-13)20-24
    -12-16(23)19(26-20)25-15-
    6-7-17-18(11-15)29(21(31)
    28(17)5)9-8-22(3,4)32/h6-
    7,10-12,32H,8-9H2,1-5H3,(
    H,24,25,26);
    UQSUWLFWPLYJIQ-UHFFFAOYSA-N    		 CN1C(=O)N(CCC(C)(C)O)c2cc(Nc3nc(ncc3Cl)n
    4nc(C)cc4C)ccc12; Cc1cc(n(n1)c2ncc(c(n2)
    Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl)C    		 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
    30130
    NQU    		 1 C21 H28 Cl2 N2 O3 InChI=1S/C21H28Cl2N2O3/c2
    2-14-19(26)24-15-16-8-12-
    25(13-9-16)20(27)21(10-2-
    1-3-11-21)28-18-6-4-17(23
    )5-7-18/h4-7,16H,1-3,8-15
    H2,(H,24,26);
    DPPVFRFCFQIPRQ-UHFFFAOYSA-N    		 c1cc(ccc1OC2(CCCCC2)C(=O)N3CCC(CC3)CNC(=
    O)CCl)Cl; ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC
    CCC2)Oc3ccc(Cl)cc3    		 2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide
    30131
    NQV
    CHEMBL4539891    		 1 C30 H42 N6 O3 InChI=1S/C30H42N6O3/c1-19
    (2)39-26-18-21(29(37)31-2
    2-14-16-34(4)17-15-22)10-
    11-24(26)32-27-13-12-25-2
    8(33-27)36(23-8-6-7-9-23)
    20(3)30(38)35(25)5/h10-13
    ,18-20,22-23H,6-9,14-17H2
    ,1-5H3,(H,31,37)(H,32,33)
    /t20-/m1/s1;
    AGCMTUNUCHFYSQ-HXUWFJFHSA-N    		 CC(C)Oc1cc(ccc1Nc2ccc3N(C)C(=O)[C@@H](C)
    N(C4CCCC4)c3n2)C(=O)NC5CCN(C)CC5; C[C@@H
    ]1C(=O)N(c2ccc(nc2N1C3CCCC3)Nc4ccc(cc4OC
    (C)C)C(=O)NC5CCN(CC5)C)C; CC1C(=O)N(c2cc
    c(nc2N1C3CCCC3)Nc4ccc(cc4OC(C)C)C(=O)NC5
    CCN(CC5)C)C; CC(C)Oc1cc(ccc1Nc2ccc3N(C)C
    (=O)[CH](C)N(C4CCCC4)c3n2)C(=O)NC5CCN(C)
    CC5; c3cc(Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC
    (C)C)nc4c3N(C)C(C(N4C5CCCC5)C)=O    		 4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide
    30132
    NQW
    CHEMBL4476234    		 1 C23 H31 Cl N6 O3 InChI=1S/C23H31ClN6O3/c1-
    14-12-29(13-15(2)33-14)21
    -25-11-17(24)20(27-21)26-
    16-6-7-18-19(10-16)30(22(
    31)28(18)5)9-8-23(3,4)32/
    h6-7,10-11,14-15,32H,8-9,
    12-13H2,1-5H3,(H,25,26,27
    )/t14-,15+;
    JPAZTMKUVSFPAZ-GASCZTMLSA-N    		 C[C@@H]1CN(C[C@@H](O1)C)c2ncc(c(n2)Nc3cc
    c4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl; CC1CN(C
    C(O1)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C
    )CCC(C)(C)O)Cl; C[CH]1CN(C[CH](C)O1)c2nc
    c(Cl)c(Nc3ccc4N(C)C(=O)N(CCC(C)(C)O)c4c3
    )n2; C[C@@H]1CN(C[C@H](C)O1)c2ncc(Cl)c(N
    c3ccc4N(C)C(=O)N(CCC(C)(C)O)c4c3)n2    		 5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
    30133
    NQX    		 1 C23 H28 N4 O5 InChI=1S/C23H28N4O5/c1-11
    -10-12(2)25-22(24-11)27-2
    1(31)18-13(3)14(8-9-15(18
    )26(4)23(27)32)20(30)19-1
    6(28)6-5-7-17(19)29/h8-10
    ,16-17,19-20,28-30H,5-7H2
    ,1-4H3/t16-,17-,20+/m1/s1;
    MLZUNIVRBBBYRG-HLIPFELVSA-N    		 CN1C(=O)N(C(=O)c2c(C)c(ccc12)[C@H](O)C3[
    C@H](O)CCC[C@H]3O)c4nc(C)cc(C)n4; Cc1cc(
    nc(n1)N2C(=O)c3c(c(ccc3N(C2=O)C)C(C4C(CC
    CC4O)O)O)C)C; Cc1cc(nc(n1)N2C(=O)c3c(c(c
    cc3N(C2=O)C)[C@@H](C4[C@@H](CCC[C@H]4O)O
    )O)C)C; CN1C(=O)N(C(=O)c2c(C)c(ccc12)[CH
    ](O)C3[CH](O)CCC[CH]3O)c4nc(C)cc(C)n4    		 6-[(R)-[(2R,6R)-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(4,6-dimethylpyrimidin-2-yl)-1,5-dimethyl-quinazoline-2,4-dione
    30134
    NQY
    CHEMBL4573352    		 1 C26 H34 N6 O3 InChI=1S/C26H34N6O3/c1-30
    -14-11-18(12-15-30)27-25(
    33)17-7-8-19(22(16-17)35-
    3)28-23-10-9-20-24(29-23)
    32-13-5-4-6-21(32)26(34)3
    1(20)2/h7-10,16,18,21H,4-
    6,11-15H2,1-3H3,(H,27,33)
    (H,28,29)/t21-/m1/s1;
    AVGGLPRMVXANOV-OAQYLSRUSA-N    		 CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ccc4c(
    n3)N5CCCCC5C(=O)N4C; CN1CCC(CC1)NC(=O)c2
    ccc(c(c2)OC)Nc3ccc4c(n3)N5CCCC[C@@H]5C(=
    O)N4C; COc1cc(ccc1Nc2ccc3N(C)C(=O)[C@H]4
    CCCCN4c3n2)C(=O)NC5CCN(C)CC5; COc1cc(ccc
    1Nc2ccc3N(C)C(=O)[CH]4CCCCN4c3n2)C(=O)NC
    5CCN(C)CC5; c2c1N(C(=O)C5CCCCN5c1nc(c2)N
    c4c(cc(C(NC3CCN(CC3)C)=O)cc4)OC)C    		 3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide
    30135
    NQZ
    CHEMBL4445645    		 1 C24 H31 Cl F2 N6 O2 InChI=1S/C24H31ClF2N6O2/c
    1-14-12-32(13-15(2)24(14,
    26)27)21-28-11-17(25)20(3
    0-21)29-16-6-7-18-19(10-1
    6)33(22(34)31(18)5)9-8-23
    (3,4)35/h6-7,10-11,14-15,
    35H,8-9,12-13H2,1-5H3,(H,
    28,29,30)/t14-,15+;
    VFNPUAOAEFMXQI-GASCZTMLSA-N    		 C[CH]1CN(C[CH](C)C1(F)F)c2ncc(Cl)c(Nc3cc
    c4N(C)C(=O)N(CCC(C)(C)O)c4c3)n2; CC1CN(C
    C(C1(F)F)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O
    )N4C)CCC(C)(C)O)Cl; C[C@@H]1CN(C[C@H](C)
    C1(F)F)c2ncc(Cl)c(Nc3ccc4N(C)C(=O)N(CCC(
    C)(C)O)c4c3)n2; C[C@@H]1CN(C[C@@H](C1(F)
    F)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CC
    C(C)(C)O)Cl    		 5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
    30136
    NR0    		 0 C13 H17 N7 O4 InChI=1S/C13H17N7O4/c14-7
    -3-24-4-8(7)20(2-10(22)23
    )9(21)1-19-6-18-11-12(15)
    16-5-17-13(11)19/h5-8H,1-
    4,14H2,(H,22,23)(H2,15,16
    ,17)/t7-,8-/m0/s1;
    NDSRPVXXSCHUPN-YUMQZZPRSA-N    		 c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)C3COCC
    3N)N; c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)
    [C@H]3COC[C@@H]3N)N; N[CH]1COC[CH]1N(CC(
    O)=O)C(=O)Cn2cnc3c(N)ncnc23; N[C@H]1COC[
    C@@H]1N(CC(O)=O)C(=O)Cn2cnc3c(N)ncnc23;
    OC(=O)CN(C1COCC1N)C(=O)Cn1cnc2c(N)ncnc21    		 N-[(3R,4R)-4-aminooxolan-3-yl]-2-(6-amino-9H-purin-9-yl)-N-(2-oxoethyl)acetamide
    30137
    NR1    		 0 C5 H13 N O5 P InChI=1S/C5H12NO5P/c7-5-2
    -6-1-4(5)3-11-12(8,9)10/h
    4-7H,1-3H2,(H2,8,9,10)/p+
    1/t4-,5+/m1/s1;
    DZBMWXHITVAZTC-UHNVWZDZSA-O    		 P(O)(O)(=O)OCC1C(C[NH2+]C1)O; O[CH]1C[NH
    2+]C[CH]1CO[P](O)(O)=O; C1C(C(C[NH2+]1)O
    )COP(=O)(O)O; C1[C@@H]([C@H](C[NH2+]1)O)
    COP(=O)(O)O; O[C@H]1C[NH2+]C[C@@H]1CO[P]
    (O)(O)=O    		 (3R,4R)-3-hydroxy-4-[(phosphonooxy)methyl]pyrrolidinium
    30138
    NR2
    CHEMBL78755
    DB08301
    ZINC000026474822    		 2 C14 H15 N3 O5 S2 InChI=1S/C14H15N3O5S2/c1-
    10-2-6-13(7-3-10)24(21,22
    )17-14(18)16-11-4-8-12(9-
    5-11)23(15,19)20/h2-9H,1H
    3,(H2,15,19,20)(H2,16,17,
    18);
    HDCXQTPVTAIPNZ-UHFFFAOYSA-N    		 O=S(=O)(c1ccc(cc1)C)NC(=O)Nc2ccc(cc2)S(=
    O)(=O)N; Cc1ccc(cc1)[S](=O)(=O)NC(=O)Nc2
    ccc(cc2)[S](N)(=O)=O; Cc1ccc(cc1)S(=O)(=
    O)NC(=O)Nc2ccc(cc2)S(=O)(=O)N    		 N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-4-METHYLBENZENESULFONAMIDE
    30139
    NR3    		 1 C12 H24 O12 S2 InChI=1S/C12H24O12S2/c13-
    1-5(15)10(19)11(20)12(24-
    26(21,22)23)7(17)4-25-3-6
    (16)9(18)8(25)2-14/h5-20H
    ,1-4H2/t5-,6+,7+,8+,9-,10
    -,11+,12+,25-/m0/s1;
    OMKXVFDVAGCPBS-HTOPOKEGSA-N    		 C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]
    ([C@@H]([C@H]([C@H](CO)O)O)O)OS(=O)(=O)[
    O-])O)CO)O)O; C1C(C(C([S+]1CC(C(C(C(C(CO
    )O)O)O)OS(=O)(=O)[O-])O)CO)O)O; OC[CH](O
    )[CH](O)[CH](O)[CH](O[S]([O-])(=O)=O)[CH
    ](O)C[S+]1C[CH](O)[CH](O)[CH]1CO; OC[C@H
    ](O)[C@H](O)[C@@H](O)[C@H](O[S]([O-])(=O
    )=O)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@
    H]1CO    		 (1S,2R,3S,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate
    30140
    NR4    		 1 C12 H24 O12 S2 InChI=1S/C12H24O12S2/c13-
    1-5(15)10(19)11(20)12(24-
    26(21,22)23)7(17)4-25-3-6
    (16)9(18)8(25)2-14/h5-20H
    ,1-4H2/t5-,6-,7-,8-,9+,10
    +,11-,12-,25+/m1/s1;
    OMKXVFDVAGCPBS-WJKNVNJGSA-N    		 C1C(C(C([S+]1CC(C(C(C(C(CO)O)O)O)OS(=O)(
    =O)[O-])O)CO)O)O; OC[CH](O)[CH](O)[CH](O
    )[CH](O[S]([O-])(=O)=O)[CH](O)C[S+]1C[CH
    ](O)[CH](O)[CH]1CO; OC[C@@H](O)[C@H](O)[
    C@@H](O)[C@H](O[S]([O-])(=O)=O)[C@H](O)C
    [S@+]1C[C@@H](O)[C@H](O)[C@H]1CO; C1[C@H
    ]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H
    ]([C@H]([C@@H](CO)O)O)O)OS(=O)(=O)[O-])O
    )CO)O)O    		 (1S,2R,3S,4R)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate
    30141
    NR5
    CHEMBL4574515    		 1 C25 H35 Cl N6 O3 InChI=1S/C25H35ClN6O3/c1-
    23(2,34)10-11-32-19-12-16
    (8-9-18(19)30(7)22(32)33)
    28-20-17(26)13-27-21(29-2
    0)31-14-24(3,4)35-25(5,6)
    15-31/h8-9,12-13,34H,10-1
    1,14-15H2,1-7H3,(H,27,28,
    29);
    BGCPLWWYPZAURQ-UHFFFAOYSA-N    		 CC1(CN(CC(O1)(C)C)c2ncc(c(n2)Nc3ccc4c(c3
    )N(C(=O)N4C)CCC(C)(C)O)Cl)C; CN1C(=O)N(C
    CC(C)(C)O)c2cc(Nc3nc(ncc3Cl)N4CC(C)(C)OC
    (C)(C)C4)ccc12    		 5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
    30142
    NR6    		 1 C18 H22 Cl2 N2 O3 InChI=1S/C18H22Cl2N2O3/c1
    9-11-16(23)21-12-13-5-9-2
    2(10-6-13)17(24)18(7-8-18
    )25-15-3-1-14(20)2-4-15/h
    1-4,13H,5-12H2,(H,21,23);
    QXDWNDTZFISQJX-UHFFFAOYSA-N    		 ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC2)Oc3ccc(C
    l)cc3; c1cc(ccc1OC2(CC2)C(=O)N3CCC(CC3)C
    NC(=O)CCl)Cl    		 2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide
    30143
    NR7
    CHEMBL4438562
    ZINC000205444408    		 1 C29 H30 Cl N5 O4 InChI=1S/C29H30ClN5O4/c1-
    39-29(38)32-21-10-11-22-2
    3(16-21)33-26(36)9-4-2-3-
    8-25(28-31-17-24(22)34-28
    )35-13-12-19(15-27(35)37)
    18-6-5-7-20(30)14-18/h2-3
    ,5-7,10-11,14,16-17,19,25
    H,4,8-9,12-13,15H2,1H3,(H
    ,31,34)(H,32,38)(H,33,36)
    /b3-2+/t19-,25-/m0/s1;
    YMEHWISYYMKMFO-WOMRJYOTSA-N    		 COC(=O)Nc1ccc-2c(c1)NC(=O)CCC=CCC(c3[nH]
    cc2n3)N4CCC(CC4=O)c5cccc(c5)Cl; COC(=O)N
    c1ccc2c(NC(=O)CCC=CC[CH](N3CC[CH](CC3=O)
    c4cccc(Cl)c4)c5[nH]cc2n5)c1; COC(=O)Nc1c
    cc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n
    3)N4CC[C@@H](CC4=O)c5cccc(c5)Cl; COC(=O)
    Nc1ccc2c(NC(=O)CC/C=C/C[C@H](N3CC[C@@H](
    CC3=O)c4cccc(Cl)c4)c5[nH]cc2n5)c1; c1c(c
    c2c(c1)c5cnc(C(CC=CCCC(N2)=O)N4C(CC(c3cc
    cc(Cl)c3)CC4)=O)n5)NC(OC)=O    		 methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
    30144
    NR8
    CHEMBL4550911    		 1 C18 H18 Cl N5 O2 InChI=1S/C18H18ClN5O2/c1-
    3-12(25)10-24-16-8-11(4-5
    -15(16)23(2)18(24)26)22-1
    4-6-7-21-17(19)13(14)9-20
    /h4-8,12,25H,3,10H2,1-2H3
    ,(H,21,22)/t12-/m0/s1;
    YYQGUWHFXVXQOO-LBPRGKRZSA-N    		 CC[C@H](O)CN1C(=O)N(C)c2ccc(Nc3ccnc(Cl)c
    3C#N)cc12; CC[CH](O)CN1C(=O)N(C)c2ccc(Nc
    3ccnc(Cl)c3C#N)cc12; CC[C@@H](CN1c2cc(cc
    c2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O; CCC(CN1c2
    cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O    		 2-chloranyl-4-[[1-methyl-3-[(2~{S})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
    30145
    NR9
    CHEMBL393929
    ZINC000028821265    		 3 C18 H13 N3 O S2 InChI=1S/C18H13N3OS2/c22-
    17-16(24-18(21-17)20-11-1
    4-4-2-8-23-14)10-12-5-6-1
    5-13(9-12)3-1-7-19-15/h1-
    10H,11H2,(H,20,21,22)/b16
    -10-;
    XOLMRFUGOINFDQ-YBEGLDIGSA-N    		 O=C\1N=C(NCc2sccc2)SC\1=C\c3ccc4ncccc4c3
    ; c1cc2cc(ccc2nc1)C=C3C(=O)N=C(S3)NCc4cc
    cs4; O=C1N=C(S/C1=C\c3cc2cccnc2cc3)NCc4s
    ccc4; c1cc2cc(ccc2nc1)/C=C\3/C(=O)N=C(S3
    )NCc4cccs4; O=C1N=C(NCc2sccc2)SC1=Cc3ccc
    4ncccc4c3    		 (5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one
    30146
    NRA
    CHEMBL187265
    ZINC000006090922    		 1 C13 H8 O6 InChI=1S/C13H8O6/c14-5-1-
    9(17)12-11(2-5)19-10-4-8(
    16)7(15)3-6(10)13(12)18/h
    1-4,14-17H;
    ZHTQCPCDXKMMLU-UHFFFAOYSA-N    		 O=C1c3c(Oc2c1c(O)cc(O)c2)cc(O)c(O)c3; c1
    c(cc2c(c1O)C(=O)c3cc(c(cc3O2)O)O)O; Oc1c
    c(O)c2C(=O)c3cc(O)c(O)cc3Oc2c1    		 norathyriol;
    1,3,6,7-tetrahydroxy-9H-xanthen-9-one
    30147
    NRB
    ZINC000016051866    		 5 C28 H47 N O7 InChI=1S/C28H47NO7/c1-10-
    23-15(2)11-12-22(30)16(3)
    13-17(4)26(19(6)24(31)20(
    7)27(33)35-23)36-28-25(32
    )21(29(8)9)14-18(5)34-28/
    h11-12,15-21,23,25-26,28,
    32H,10,13-14H2,1-9H3/b12-
    11+/t15-,16-,17+,18+,19-,
    20-,21-,23-,25-,26+,28-/m
    1/s1;
    OXFYAOOMMKGGAI-ZMIJTAGNSA-N    		 CC[CH]1OC(=O)[CH](C)C(=O)[CH](C)[CH](O[C
    H]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](C)C[C
    H](C)C(=O)C=C[CH]1C; CCC1C(C=CC(=O)C(CC(
    C(C(C(=O)C(C(=O)O1)C)C)OC2C(C(CC(O2)C)N(
    C)C)O)C)C)C; CC[C@@H]1[C@@H](\C=C\C(=O)[
    C@@H](C[C@@H]([C@@H]([C@@H](C(=O)[C@H](C
    (=O)O1)C)C)O[C@@H]2[C@@H]([C@@H](C[C@@H]
    (O2)C)N(C)C)O)C)C)C; CC[C@H]1OC(=O)[C@H]
    (C)C(=O)[C@@H](C)[C@@H](O[C@H]2O[C@@H](C
    )C[C@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C
    )C(=O)\C=C\[C@H]1C; O=C2C(C(OC1OC(CC(N(C
    )C)C1O)C)C(C)CC(C(=O)C=CC(C)C(OC(=O)C2C)
    CC)C)C    		 NARBOMYCIN
    30148
    NRC    		 1 C16 H15 Cl N2 O3 InChI=1S/C16H15ClN2O3/c1-
    10-6-7-18-9-13(10)19-15(2
    0)14(16(21)22-2)11-4-3-5-
    12(17)8-11/h3-9,14H,1-2H3
    ,(H,19,20)/t14-/m1/s1;
    LOFUGDOYUSJHEA-CQSZACIVSA-N    		 O=C(Nc1cnccc1C)C(c1cccc(Cl)c1)C(=O)OC; C
    c1ccncc1NC(=O)[C@@H](c2cccc(c2)Cl)C(=O)O
    C; COC(=O)[C@@H](C(=O)Nc1cnccc1C)c2cccc(
    Cl)c2; Cc1ccncc1NC(=O)C(c2cccc(c2)Cl)C(=
    O)OC; COC(=O)[CH](C(=O)Nc1cnccc1C)c2cccc
    (Cl)c2    		 methyl (2R)-2-(3-chlorophenyl)-3-[(4-methylpyridin-3-yl)amino]-3-oxopropanoate
    30149
    NRD
    CHEMBL55214
    DB11620
    ZINC000001999491    		 4 C6 H17 N O7 P2 InChI=1S/C6H17NO7P2/c7-5-
    3-1-2-4-6(8,15(9,10)11)16
    (12,13)14/h8H,1-5,7H2,(H2
    ,9,10,11)(H2,12,13,14);
    PUUSSSIBPPTKTP-UHFFFAOYSA-N    		 C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN; NCCCCC
    C(O)([P](O)(O)=O)[P](O)(O)=O    		 (6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid
    30150
    NRE
    CHEMBL2413522
    ZINC000096917227    		 2 C20 H23 Br F N3 O2 InChI=1S/C20H23BrFN3O2/c1
    -13-6-8-15(11-24-18-9-7-1
    4(21)10-23-18)25(12-13)20
    (26)16-4-3-5-17(22)19(16)
    27-2/h3-5,7,9-10,13,15H,6
    ,8,11-12H2,1-2H3,(H,23,24
    )/t13-,15-/m0/s1;
    TWCRHJLMMAYSTE-ZFWWWQNUSA-N    		 CC1CCC(N(C1)C(=O)c2cccc(c2OC)F)CNc3ccc(c
    n3)Br; COc1c(F)cccc1C(=O)N2C[CH](C)CC[CH
    ]2CNc3ccc(Br)cn3; COc1c(F)cccc1C(=O)N2C[
    C@@H](C)CC[C@H]2CNc3ccc(Br)cn3; C[C@H]1C
    C[C@H](N(C1)C(=O)c2cccc(c2OC)F)CNc3ccc(c
    n3)Br    		 [(2~{S},5~{S})-2-[[(5-bromanylpyridin-2-yl)amino]methyl]-5-methyl-piperidin-1-yl]-(3-fluoranyl-2-methoxy-phenyl)methanone
    30151
    NRF
    CHEMBL1881194
    ZINC000000271610    		 5 C12 H9 Cl F3 N3 O InChI=1S/C12H9ClF3N3O/c1-
    17-9-6-18-19(11(20)10(9)1
    3)8-4-2-3-7(5-8)12(14,15)
    16/h2-6,17H,1H3;
    NVGOPFQZYCNLDU-UHFFFAOYSA-N    		 CNC1=C(C(=O)N(N=C1)c2cccc(c2)C(F)(F)F)Cl
    ; CNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F
    )F    		 Norflurazon
    30152
    NRG
    CHEMBL227744
    DB04223
    ZINC000019796052    		 7 C6 H13 N5 O4 InChI=1S/C6H13N5O4/c7-4(5
    (12)13)2-1-3-9-6(8)10-11(
    14)15/h4H,1-3,7H2,(H,12,1
    3)(H3,8,9,10)/t4-/m0/s1;
    MRAUNPAHJZDYCK-BYPYZUCNSA-N    		 N[CH](CCCNC(=N)N[N+]([O-])=O)C(O)=O; [O-
    ][N+](=O)NC(=[N@H])NCCCC(C(=O)O)N; N[C@@
    H](CCCNC(=N)N[N+]([O-])=O)C(O)=O; [H]/N=
    C(\NCCC[C@@H](C(=O)O)N)/N[N+](=O)[O-]; [
    H]N=C(NCCCC(C(=O)O)N)N[N+](=O)[O-]    		 N-OMEGA-NITRO-L-ARGININE;
    NNA
    30153
    NRH
    CHEMBL275224
    ZINC000000066039    		 2 C11 H8 N2 InChI=1S/C11H8N2/c1-2-4-1
    0-8(3-1)9-5-6-12-7-11(9)1
    3-10/h1-7,13H;
    AIFRHYZBTHREPW-UHFFFAOYSA-N    		 n3ccc2c1c(cccc1)nc2c3; c1ccc2c(c1)c3ccnc
    c3[nH]2; [nH]1c2ccccc2c3ccncc13    		 Norharmane;
    9H-beta-carboline
    30154
    NRI
    ZINC000005975943    		 0 C5 H12 N O5 P InChI=1S/C5H12NO5P/c7-5-2
    -6-1-4(5)3-11-12(8,9)10/h
    4-7H,1-3H2,(H2,8,9,10)/t4
    -,5+/m1/s1;
    DZBMWXHITVAZTC-UHNVWZDZSA-N    		 O[C@H]1CNC[C@@H]1CO[P](O)(O)=O; O[CH]1CN
    C[CH]1CO[P](O)(O)=O; C1[C@@H]([C@H](CN1)
    O)COP(=O)(O)O; C1C(C(CN1)O)COP(=O)(O)O;
    O=P(OCC1CNCC1O)(O)O    		 PHOSPHORIC ACID MONO-(4-HYDROXY-PYRROLIDIN-3-YLMETHYL) ESTER
    30155
    NRJ
    CHEMBL4515523    		 1 C28 H28 Cl N5 O5 InChI=1S/C28H28ClN5O5/c1-
    38-27(36)31-19-10-11-20-2
    1(15-19)32-25(35)9-4-2-3-
    8-23(26-30-16-22(20)33-26
    )34-13-12-24(39-28(34)37)
    17-6-5-7-18(29)14-17/h2-3
    ,5-7,10-11,14-16,23-24H,4
    ,8-9,12-13H2,1H3,(H,30,33
    )(H,31,36)(H,32,35)/b3-2+
    /t23-,24+/m0/s1;
    ZRELHZVMHRERCT-KXHVVKIWSA-N    		 COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H]
    (c3[nH]cc2n3)N4CC[C@@H](OC4=O)c5cccc(c5)
    Cl; COC(=O)Nc1ccc2c(NC(=O)CC/C=C/C[C@H](
    N3CC[C@@H](OC3=O)c4cccc(Cl)c4)c5[nH]cc2n
    5)c1; c3cc(cc4NC(CCC=CCC(N1C(OC(CC1)c2cc
    cc(Cl)c2)=O)c5nc(c34)cn5)=O)NC(OC)=O; CO
    C(=O)Nc1ccc-2c(c1)NC(=O)CCC=CCC(c3[nH]cc
    2n3)N4CCC(OC4=O)c5cccc(c5)Cl; COC(=O)Nc1
    ccc2c(NC(=O)CCC=CC[CH](N3CC[CH](OC3=O)c4
    cccc(Cl)c4)c5[nH]cc2n5)c1    		 methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
    30156
    NRK
    CHEMBL3545367
    DB11951
    ZINC000118073503    		 3 C22 H20 F2 N4 O2 InChI=1S/C22H20F2N4O2/c1-
    13-19(11-25-14(2)27-13)30
    -12-22(15-4-3-5-16(23)8-1
    5)9-18(22)21(29)28-20-7-6
    -17(24)10-26-20/h3-8,10-1
    1,18H,9,12H2,1-2H3,(H,26,
    28,29)/t18-,22+/m0/s1;
    MUGXRYIUWFITCP-PGRDOPGGSA-N    		 Cc1c(cnc(n1)C)OCC2(CC2C(=O)Nc3ccc(cn3)F)
    c4cccc(c4)F; Cc1ncc(OC[C@]2(C[C@H]2C(=O)
    Nc3ccc(F)cn3)c4cccc(F)c4)c(C)n1; Cc1c(cn
    c(n1)C)OC[C@]2(C[C@H]2C(=O)Nc3ccc(cn3)F)
    c4cccc(c4)F; Cc1ncc(OC[C]2(C[CH]2C(=O)Nc
    3ccc(F)cn3)c4cccc(F)c4)c(C)n1    		 (1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
    30157
    NRL    		 0 C12 H17 N5 O5 InChI=1S/C12H17N5O5/c13-7
    -5-22-6-8(7)17(4-11(19)20
    )10(18)3-16-2-1-9(14)15-1
    2(16)21/h1-2,7-8H,3-6,13H
    2,(H,19,20)(H2,14,15,21)/
    t7-,8-/m0/s1;
    SSCQFEZTHMEZLU-YUMQZZPRSA-N    		 N[CH]1COC[CH]1N(CC(O)=O)C(=O)CN2C=CC(=NC
    2=O)N; N[C@H]1COC[C@@H]1N(CC(O)=O)C(=O)C
    N2C=CC(=NC2=O)N; C1C(C(CO1)N(CC(=O)O)C(=
    O)CN2C=CC(=NC2=O)N)N; C1[C@@H]([C@H](CO1
    )N(CC(=O)O)C(=O)CN2C=CC(=NC2=O)N)N; OC(=
    O)CN(C1COCC1N)C(=O)CN1C=CC(N)=NC1=O    		 N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]glycine
    30158
    NRM
    CHEMBL1234822
    ZINC000058639126    		 1 C13 H11 N7 S InChI=1S/C13H11N7S/c1-8-4
    -11(21-19-8)18-12-13-15-7
    -10(9-5-16-17-6-9)20(13)3
    -2-14-12/h2-7H,1H3,(H,14,
    18)(H,16,17);
    XWFNCZUACYBPGT-UHFFFAOYSA-N    		 Cc1cc(sn1)Nc2c3ncc(n3ccn2)c4c[nH]nc4; Cc
    1cc(Nc2nccn3c(cnc23)c4c[nH]nc4)sn1; n4c(
    Nc1snc(c1)C)c3ncc(c2cnnc2)n3cc4    		 N-(3-methylisothiazol-5-yl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
    30159
    NRN
    CHEMBL129014    		 2 C10 H13 N5 O3 InChI=1S/C10H13N5O3/c11-9
    -6-10(13-2-12-9)15(3-14-6
    )4-1-5(16)8(18)7(4)17/h2-
    5,7-8,16-18H,1H2,(H2,11,1
    2,13)/t4-,5+,7+,8-/m1/s1;
    VFKHECGAEJNAMV-HETMPLHPSA-N    		 c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([
    C@H]3O)O)O)N; Nc1ncnc2n(cnc12)[CH]3C[CH]
    (O)[CH](O)[CH]3O; Nc1ncnc2n(cnc12)[C@@H]
    3C[C@H](O)[C@@H](O)[C@H]3O; c1nc(c2c(n1)
    n(cn2)C3CC(C(C3O)O)O)N    		 (1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol;
    noraristeromycin
    30160
    NRO
    DB08302
    ZINC000006050692    		 3 C16 H15 N O5 InChI=1S/C16H15NO5/c1-2-4
    -13(17(20)21)10-14-7-8-15
    (22-14)11-5-3-6-12(9-11)1
    6(18)19/h3,5-10H,2,4H2,1H
    3,(H,18,19)/b13-10-;
    IRHZCQDCMUWUKV-RAXLEYEMSA-N    		 CCCC(=Cc1oc(cc1)c2cccc(c2)C(O)=O)[N+]([O
    -])=O; CCCC(=Cc1ccc(o1)c2cccc(c2)C(=O)O)
    [N+](=O)[O-]; CCC\C(=C\c1oc(cc1)c2cccc(c
    2)C(O)=O)[N+]([O-])=O; [O-][N+](=O)/C(=C
    \c1oc(cc1)c2cccc(C(=O)O)c2)CCC    		 3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid
    30161
    NRP    		 0 C17 H19 N3 O4 InChI=1S/C17H19N3O4/c1-10
    (2)7-13(18)16-19-14(17(24
    )20(16)9-15(22)23)8-11-3-
    5-12(21)6-4-11/h3-6,8,10,
    18,21H,7,9H2,1-2H3,(H,22,
    23)/b14-8+,18-13+;
    BJIZAOIYQSFLFE-VHQTWSSFSA-N    		 [H]/N=C(\CC(C)C)/C1=NC(=Cc2ccc(cc2)O)C(=
    O)N1CC(=O)O; CC(C)CC(=N)C1=NC(=Cc2ccc(O)
    cc2)C(=O)N1CC(O)=O; O=C1C(\N=C(C(=[N@H])
    CC(C)C)N1CC(=O)O)=C/c2ccc(O)cc2; CC(C)CC
    (=N)C1=NC(=C/c2ccc(O)cc2)/C(=O)N1CC(O)=O
    ; CC(C)CC(=N)C1=NC(=Cc2ccc(cc2)O)C(=O)N1
    CC(=O)O    		 {4-[(4-hydroxyphenyl)methylidene]-2-[(1E)-3-methylbutanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
    CHROMOPHORE (LEU-TYR-GLY)
    30162
    NRQ    		 1 C16 H17 N3 O4 S InChI=1S/C16H17N3O4S/c1-2
    4-7-6-12(17)15-18-13(16(2
    3)19(15)9-14(21)22)8-10-2
    -4-11(20)5-3-10/h2-5,8,17
    ,20H,6-7,9H2,1H3,(H,21,22
    )/b13-8-,17-12-;
    QMTDZFYJRUOYRB-JEAYZUIJSA-N    		 [H]N=C(CCSC)C1=NC(=Cc2ccc(cc2)O)C(=O)N1C
    C(=O)O; [H]/N=C(/CCSC)\C1=N/C(=C\c2ccc(c
    c2)O)/C(=O)N1CC(=O)O; CSCCC(=N)C1=NC(=Cc
    2ccc(O)cc2)C(=O)N1CC(O)=O; CSCCC(=N)C1=N
    \C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O; O=C1C(
    \N=C(C(=[N@H])CCSC)N1CC(=O)O)=C\c2ccc(O)
    cc2    		 {(4Z)-4-(4-hydroxybenzylidene)-2-[3-(methylthio)propanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid;
    CHROMOPHORE (MET-TYR-GLY)
    30163
    NRR    		 1 C27 H29 N5 O InChI=1S/C27H29N5O/c1-30(
    2)11-10-26(33)20-6-9-25-2
    3(16-20)24-17-21(18-28-27
    (24)29-25)19-4-7-22(8-5-1
    9)32-14-12-31(3)13-15-32/
    h4-11,16-18H,12-15H2,1-3H
    3,(H,28,29)/b11-10-;
    JFOIWAWELQEHHK-KHPPLWFESA-N    		 CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ccc5[nH]c
    4nc3)C(=O)C=CN(C)C; CN(C)\C=C/C(=O)c1ccc
    2[nH]c3ncc(cc3c2c1)c4ccc(cc4)N5CCN(C)CC5
    ; CN(C)C=CC(=O)c1ccc2[nH]c3ncc(cc3c2c1)c
    4ccc(cc4)N5CCN(C)CC5    		 3-(dimethylamino)-1-[3-[4-(4-methylpiperazin-1-yl)phenyl]-9~{H}-pyrido[2,3-b]indol-6-yl]prop-2-en-1-one
    30164
    NRS
    CHEMBL3931964    		 1 C19 H15 N3 O4 S InChI=1S/C19H15N3O4S/c1-2
    2(14-7-6-12-4-2-3-5-13(12
    )10-14)27(25,26)15-8-9-16
    -17(11-15)21-19(24)18(23)
    20-16/h2-11H,1H3,(H,20,23
    )(H,21,24);
    HSAXTPZNMSIOAI-UHFFFAOYSA-N    		 CN(c1ccc2ccccc2c1)S(=O)(=O)c3ccc4c(c3)NC
    (=O)C(=O)N4; CN(c1ccc2ccccc2c1)[S](=O)(=
    O)c3ccc4NC(=O)C(=O)Nc4c3; O=S(c1ccc2c(c1
    )NC(C(N2)=O)=O)(N(C)c3ccc4c(c3)cccc4)=O    		 N-methyl-N-(naphthalen-2-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
    30165
    NRT    		 0 C10 H13 N5 O2 InChI=1S/C10H13N5O2/c11-1
    0-14-8-7(12-5-13-8)9(15-1
    0)17-4-6-2-1-3-16-6/h5-6H
    ,1-4H2,(H3,11,12,13,14,15
    )/t6-/m0/s1;
    HNPVBOXKEKDGNE-LURJTMIESA-N    		 Nc1nc2[nH]cnc2c(OC[C@@H]3CCCO3)n1; c1[nH
    ]c2c(n1)c(nc(n2)N)OC[C@@H]3CCCO3; Nc1nc2
    [nH]cnc2c(OC[CH]3CCCO3)n1; n2c(OCC1OCCC1
    )c3ncnc3nc2N; c1[nH]c2c(n1)c(nc(n2)N)OCC
    3CCCO3    		 6-(TETRAHYDRO-2-FURANYLMETHOXY)-9H-PURIN-2-AMINE
    30166
    NRU    		 0 H18 N6 Ru InChI=1S/6H3N.Ru/h6*1H3;/
    q;;;;;;+3;
    HOOVQFBYNWLMGV-UHFFFAOYSA-N    		 N.N.N.N.N.N.[Ru+3]; [NH3][Ru+3]([NH3])([
    NH3])([NH3])([NH3])[NH3]    		 RUTHENIUM (III) HEXAAMINE ION;
    HEXAAMINORUTHENIUM
    30167
    NRV
    CHEMBL1524317
    ZINC000002205864    		 1 C16 H20 F N5 S InChI=1S/C16H20FN5S/c1-4-
    22(5-2)8-9-23-16-18-15-14
    (19-20-16)12-10-11(17)6-7
    -13(12)21(15)3/h6-7,10H,4
    -5,8-9H2,1-3H3;
    CBDNCFPVVCMFOD-UHFFFAOYSA-N    		 CCN(CC)CCSc1nc2c(c3cc(ccc3n2C)F)nn1; CCN
    (CC)CCSc1nnc2c3cc(F)ccc3n(C)c2n1; Cn2c1c
    cc(cc1c3c2nc(SCCN(CC)CC)nn3)F    		 N,N-diethyl-2-[(8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine
    30168
    NRW
    ZINC000048344789    		 1 C12 H13 N3 O2 InChI=1S/C12H13N3O2/c1-9-
    6-11(17-14-9)12(16)15(2)8
    -10-4-3-5-13-7-10/h3-7H,8
    H2,1-2H3;
    YRZCJLIACJLYBI-UHFFFAOYSA-N    		 Cc1cc(on1)C(=O)N(C)Cc2cccnc2; CN(Cc1cccn
    c1)C(=O)c2onc(C)c2; Cc2cc(C(N(C)Cc1cccnc
    1)=O)on2    		 N,3-dimethyl-N-[(pyridin-3-yl)methyl]-1,2-oxazole-5-carboxamide
    30169
    NRX    		 1 C15 H12 Cl N3 O InChI=1S/C15H12ClN3O/c16-
    12-5-3-4-11(8-12)9-14(20)
    18-15-13-6-1-2-7-19(13)10
    -17-15/h1-8,10H,9H2,(H,18
    ,20);
    SDPLNJUUYIUIPZ-UHFFFAOYSA-N    		 Clc1cccc(CC(=O)Nc2ncn3ccccc23)c1; c1ccn2
    cnc(c2c1)NC(=O)Cc3cccc(c3)Cl; Clc1cccc(c
    1)CC(=O)Nc1ncn2ccccc12    		 2-(3-chlorophenyl)-N-[(4S)-imidazo[1,5-a]pyridin-1-yl]acetamide
    30170
    NRY    		 1 C21 H15 F2 N2 O InChI=1S/C21H15F2N2O/c22-
    17-7-3-15(4-8-17)20(26)14
    -25-13-12-24-11-1-2-19(24
    )21(25)16-5-9-18(23)10-6-
    16/h1-13H,14H2/q+1;
    QVAOSDLYVRSWEJ-UHFFFAOYSA-N    		 c1cc2c([n+](ccn2c1)CC(=O)c3ccc(cc3)F)c4c
    cc(cc4)F; c2[n+](c(c1ccc(F)cc1)c3cccn3c2
    )CC(=O)c4ccc(cc4)F; Fc1ccc(cc1)C(=O)C[n+
    ]2ccn3cccc3c2c4ccc(F)cc4    		 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium
    30171
    NRZ
    CHEMBL3597952
    ZINC000009068446    		 1 C20 H24 N2 O4 S InChI=1S/C20H24N2O4S/c1-1
    4-11-15(2)13-16(12-14)21-
    20(23)19-5-4-10-22(19)27(
    24,25)18-8-6-17(26-3)7-9-
    18/h6-9,11-13,19H,4-5,10H
    2,1-3H3,(H,21,23)/t19-/m0
    /s1;
    NHPQGZOBHSVTAQ-IBGZPJMESA-N    		 COc1ccc(cc1)[S](=O)(=O)N2CCC[C@H]2C(=O)N
    c3cc(C)cc(C)c3; COc1ccc(cc1)[S](=O)(=O)N
    2CCC[CH]2C(=O)Nc3cc(C)cc(C)c3; Cc1cc(cc(
    c1)NC(=O)C2CCCN2S(=O)(=O)c3ccc(cc3)OC)C;
    Cc1cc(cc(c1)NC(=O)[C@@H]2CCCN2S(=O)(=O)
    c3ccc(cc3)OC)C    		 (2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide
    30172
    NS0
    ZINC000058638795    		 56 C40 H60 InChI=1S/C40H60/c1-33(2)1
    9-13-23-37(7)27-17-31-39(
    9)29-15-25-35(5)21-11-12-
    22-36(6)26-16-30-40(10)32
    -18-28-38(8)24-14-20-34(3
    )4/h11-12,15-17,19,21-22,
    25-31,34H,13-14,18,20,23-
    24,32H2,1-10H3/b12-11+,25
    -15+,26-16+,31-17+,35-21+
    ,36-22+,37-27+,38-28+,39-
    29+,40-30+;
    NHKJSVKSSGKUCH-XILUKMICSA-N    		 CC(C)CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C
    /C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C;
    CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(
    \C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C
    )/C)/C; CC(C)CCCC(C)=CCCC(C)=CC=CC(C)=CC
    =CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C; CC(
    C)CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)
    C=CC=C(C)CCC=C(C)C)C)C)C    		 all-trans-1,2-dihydroneurosporene
    30173
    NS1
    ZINC000064436656    		 1 C40 H60 InChI=1S/C40H60/c1-33(2)1
    9-13-23-37(7)27-17-31-39(
    9)29-15-25-35(5)21-11-12-
    22-36(6)26-16-30-40(10)32
    -18-28-38(8)24-14-20-34(3
    )4/h11-12,15-17,19,21-22,
    25-31,34H,13-14,18,20,23-
    24,32H2,1-10H3/b12-11+,25
    -15+,26-16+,31-17+,35-21+
    ,36-22-,37-27+,38-28+,39-
    29+,40-30+;
    NHKJSVKSSGKUCH-HFHFAFRXSA-N    		 CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C\C=C\C=C(/
    C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C)
    /C)/C; CC(C)CCC\C(C)=C\CC\C(C)=C\C=C\C(C
    )=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC
    =C(C)C; CC(C)CCCC(C)=CCCC(C)=CC=CC(C)=CC
    =CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C; CC(
    C)CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)
    C=CC=C(C)CCC=C(C)C)C)C)C    		 15-trans-1,2-dihydroneurosporene
    30174
    NS2
    CHEMBL4297590
    DB15031    		 2 C23 H23 Cl N6 O2 InChI=1S/C23H23ClN6O2/c1-
    14-17(24)6-7-18-20(14)28-
    22(27-18)23(2)9-4-12-29(2
    3)21(31)16-13-15(32-3)5-8
    -19(16)30-25-10-11-26-30/
    h5-8,10-11,13H,4,9,12H2,1
    -3H3,(H,27,28)/t23-/m0/s1;
    NBGABHGMJVIVBW-QHCPKHFHSA-N    		 Cc1c(ccc2c1[nH]c(n2)C3(CCCN3C(=O)c4cc(cc
    c4n5nccn5)OC)C)Cl; COc1ccc(n2nccn2)c(c1)
    C(=O)N3CCC[C]3(C)c4[nH]c5c(C)c(Cl)ccc5n4
    ; Cc1c(ccc2c1[nH]c(n2)[C@@]3(CCCN3C(=O)c
    4cc(ccc4n5nccn5)OC)C)Cl; COc1ccc(n2nccn2
    )c(c1)C(=O)N3CCC[C@@]3(C)c4[nH]c5c(C)c(C
    l)ccc5n4    		 [(2~{S})-2-(6-chloranyl-7-methyl-1~{H}-benzimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-[5-methoxy-2-(1,2,3-triazol-2-yl)phenyl]methanone
    30175
    NS3
    DB08303
    ZINC000053683061    		 1 C18 H28 N4 O4 S2 InChI=1S/C18H28N4O4S2/c1-
    13-11-15-17(27(23,24)20-1
    8(19-15)14-5-3-4-6-14)12-
    16(13)28(25,26)22-9-7-21(
    2)8-10-22/h11-12,14,18-20
    H,3-10H2,1-2H3/t18-/m0/s1;
    CUMKMTBOHBENJI-SFHVURJKSA-N    		 CN1CCN(CC1)[S](=O)(=O)c2cc3c(N[C@@H](N[S
    ]3(=O)=O)C4CCCC4)cc2C; O=S(=O)(c1c(cc2c(
    c1)S(=O)(=O)NC(N2)C3CCCC3)C)N4CCN(C)CC4;
    Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=
    O)N[C@H](N2)C4CCCC4; CN1CCN(CC1)[S](=O)(
    =O)c2cc3c(N[CH](N[S]3(=O)=O)C4CCCC4)cc2C
    ; Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(
    =O)NC(N2)C4CCCC4    		 (3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
    30176
    NS4
    CHEMBL7162
    DB14060
    ZINC000003791739    		 2 C13 H18 N2 O5 S InChI=1S/C13H18N2O5S/c1-2
    1(18,19)14-12-8-7-10(15(1
    6)17)9-13(12)20-11-5-3-2-
    4-6-11/h7-9,11,14H,2-6H2,
    1H3;
    KTDZCOWXCWUPEO-UHFFFAOYSA-N    		 CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O
    -]; C[S](=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+]
    ([O-])=O; [O-][N+](=O)c2cc(OC1CCCCC1)c(N
    S(=O)(=O)C)cc2    		 N-[2-(cyclohexyloxy)-4-nitrophenyl]methanesulfonamide
    30177
    NS5
    ZINC000064436376    		 34 C40 H60 InChI=1S/C40H60/c1-33(2)1
    9-13-23-37(7)27-17-31-39(
    9)29-15-25-35(5)21-11-12-
    22-36(6)26-16-30-40(10)32
    -18-28-38(8)24-14-20-34(3
    )4/h11-12,15-17,19,21-22,
    25-31,34H,13-14,18,20,23-
    24,32H2,1-10H3/b12-11-,25
    -15+,26-16+,31-17+,35-21+
    ,36-22+,37-27+,38-28+,39-
    29+,40-30+;
    NHKJSVKSSGKUCH-DBWJSHEJSA-N    		 CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=C\C=C(/
    C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C)
    /C)/C; CC(C)CCC\C(C)=C\CC\C(C)=C\C=C\C(C
    )=C\C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC
    =C(C)C; CC(C)CCCC(C)=CCCC(C)=CC=CC(C)=CC
    =CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C; CC(
    C)CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)
    C=CC=C(C)CCC=C(C)C)C)C)C    		 15-cis-1,2-dihydroneurosporene
    30178
    NS6
    DB08304
    ZINC000038397218    		 4 C18 H27 N3 O4 S2 InChI=1S/C18H27N3O4S2/c1-
    20-8-10-21(11-9-20)27(24,
    25)16-7-6-15-12-17(14-4-2
    -3-5-14)19-26(22,23)18(15
    )13-16/h6-7,13-14,17,19H,
    2-5,8-12H2,1H3/t17-/m1/s1;
    QZBQVXXESPXFPZ-QGZVFWFLSA-N    		 CN1CCN(CC1)S(=O)(=O)c2ccc3c(c2)S(=O)(=O)
    NC(C3)C4CCCC4; CN1CCN(CC1)[S](=O)(=O)c2c
    cc3C[C@@H](N[S](=O)(=O)c3c2)C4CCCC4; CN1
    CCN(CC1)S(=O)(=O)c2ccc3c(c2)S(=O)(=O)N[C
    @H](C3)C4CCCC4; O=S(=O)(c1ccc2c(c1)S(=O)
    (=O)NC(C2)C3CCCC3)N4CCN(C)CC4; CN1CCN(CC
    1)[S](=O)(=O)c2ccc3C[CH](N[S](=O)(=O)c3c
    2)C4CCCC4    		 (3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide
    30179
    NS7
    DB08305
    ZINC000039286895    		 2 C19 H29 N3 O4 S2 InChI=1S/C19H29N3O4S2/c1-
    14-11-16-12-17(15-5-3-4-6
    -15)20-27(23,24)19(16)13-
    18(14)28(25,26)22-9-7-21(
    2)8-10-22/h11,13,15,17,20
    H,3-10,12H2,1-2H3/t17-/m1
    /s1;
    KQAGZLQCEURCKJ-QGZVFWFLSA-N    		 CN1CCN(CC1)[S](=O)(=O)c2cc3c(C[CH](N[S]3
    (=O)=O)C4CCCC4)cc2C; O=S(=O)(c1c(cc2c(c1
    )S(=O)(=O)NC(C2)C3CCCC3)C)N4CCN(C)CC4; C
    c1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)
    NC(C2)C4CCCC4; Cc1cc2c(cc1S(=O)(=O)N3CCN
    (CC3)C)S(=O)(=O)N[C@H](C2)C4CCCC4; CN1CC
    N(CC1)[S](=O)(=O)c2cc3c(C[C@@H](N[S]3(=O
    )=O)C4CCCC4)cc2C    		 (3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide
    30180
    NS8
    CHEMBL230156
    ZINC000001700197    		 3 C8 H7 N O2 InChI=1S/C8H7NO2/c10-9(11
    )7-6-8-4-2-1-3-5-8/h1-7H/
    b7-6+;
    PIAOLBVUVDXHHL-VOTSOKGWSA-N    		 c1ccc(cc1)/C=C/[N+](=O)[O-]; [O-][N+](=O
    )/C=C/c1ccccc1; [O-][N+](=O)C=Cc1ccccc1;
    c1ccc(cc1)C=C[N+](=O)[O-]; [O-][N+]([C@
    H]=Cc1ccccc1)=O    		 trans beta nitrostyrene
    30181
    NS9
    CHEMBL1234833
    ZINC000058655676    		 2 C20 H27 N5 O3 InChI=1S/C20H27N5O3/c1-13
    (2)15-10-22-25-19(21-9-14
    -6-4-3-5-7-14)8-18(24-20(
    15)25)23-16(11-26)17(28)1
    2-27/h3-8,10,13,16-17,21,
    26-28H,9,11-12H2,1-2H3,(H
    ,23,24)/t16-,17+/m0/s1;
    KRIWIRSMQRQYJG-DLBZAZTESA-N    		 CC(C)c1cnn2c1nc(cc2NCc3ccccc3)N[C@@H](CO
    )[C@@H](CO)O; CC(C)c1cnn2c(NCc3ccccc3)cc
    (N[CH](CO)[CH](O)CO)nc12; CC(C)c1cnn2c1n
    c(cc2NCc3ccccc3)NC(CO)C(CO)O; n2c(cc(NCc
    1ccccc1)n3ncc(c23)C(C)C)NC(C(O)CO)CO; CC
    (C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H
    ](O)CO)nc12    		 (2S,3S)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol
    30182
    NSA
    CHEMBL1234834
    ZINC000001564818    		 0 C8 H7 Cl2 N O InChI=1S/C8H7Cl2NO/c9-7(1
    0)8(12)11-6-4-2-1-3-5-6/h
    1-5,7H,(H,11,12);
    KJSVAEGLTPBKAA-UHFFFAOYSA-N    		 O=C(Nc1ccccc1)C(Cl)Cl; ClC(Cl)C(=O)Nc1cc
    ccc1; c1ccc(cc1)NC(=O)C(Cl)Cl    		 2,2-DICHLORO-N-PHENYL-ACETAMIDE
    30183
    NSB
    ZINC000001674777    		 1 C6 H16 N O3 S InChI=1S/C6H15NO3S/c1-7(2
    ,3)5-4-6-11(8,9)10/h4-6H2
    ,1-3H3/p+1;
    WFJHXXPYPMNRPK-UHFFFAOYSA-O    		 O=S(=O)(O)CCC[N+](C)(C)C; C[N+](C)(C)CCC
    S(=O)(=O)O; C[N+](C)(C)CCC[S](O)(=O)=O    		 N,N,N-TRIMETHYL-3-SULFOPROPAN-1-AMINIUM
    30184
    NSC
    CHEMBL87223
    DB04452
    ZINC000022910880    		 4 C21 H20 N6 O InChI=1S/C21H20N6O/c1-11-
    7-17(22)15-9-13(3-5-19(15
    )24-11)26-21(28)27-14-4-6
    -20-16(10-14)18(23)8-12(2
    )25-20/h3-10H,1-2H3,(H2,2
    2,24)(H2,23,25)(H2,26,27,
    28);
    HOUSDILKOJMENG-UHFFFAOYSA-N    		 Cc1cc(N)c2cc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3
    )ccc2n1; c2c1c(N)cc(C)nc1ccc2NC(=O)Nc4cc
    3c(N)cc(C)nc3cc4; Cc1cc(c2cc(ccc2n1)NC(=
    O)Nc3ccc4c(c3)c(cc(n4)C)N)N    		 N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA
    30185
    NSD
    CHEMBL28743
    ZINC000001529642    		 5 C6 H17 N3 InChI=1S/C6H17N3/c7-3-1-5
    -9-6-2-4-8/h9H,1-8H2;
    OTBHHUPVCYLGQO-UHFFFAOYSA-N    		 C(CN)CNCCCN; NCCCNCCCN N-(3-aminopropyl)propane-1,3-diamine
    30186
    NSE
    CHEMBL3103988
    ZINC000078938112    		 12 C14 H8 N4 O InChI=1S/C14H8N4O/c15-8-1
    0-3-1-4-11(7-10)14-17-13(
    18-19-14)12-5-2-6-16-9-12
    /h1-7,9H;
    HGFXDSQLRSWUBO-UHFFFAOYSA-N    		 c1cc(cc(c1)c2nc(no2)c3cccnc3)C#N; N#Cc1c
    ccc(c1)c2onc(n2)c3cccnc3; N#Cc3cccc(c1nc
    (no1)c2cnccc2)c3    		 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile;
    NS9283
    30187
    NSF    		 0 C12 H15 I N4 O6 InChI=1S/C12H15IN4O6/c13-
    6-1-16(12(22)15-11(6)21)2
    -9(18)17(3-10(19)20)8-5-2
    3-4-7(8)14/h1,7-8H,2-5,14
    H2,(H,19,20)(H,15,21,22)/
    t7-,8-/m0/s1;
    ZIWCTTLPOMQDJH-YUMQZZPRSA-N    		 C1[C@@H]([C@H](CO1)N(CC(=O)O)C(=O)CN2C=C
    (C(=O)NC2=O)I)N; N[CH]1COC[CH]1N(CC(O)=O
    )C(=O)CN2C=C(I)C(=O)NC2=O; C1C(C(CO1)N(C
    C(=O)O)C(=O)CN2C=C(C(=O)NC2=O)I)N; OC(=O
    )CN(C1COCC1N)C(=O)CN1C=C(I)C(=O)NC1=O; N
    [C@H]1COC[C@@H]1N(CC(O)=O)C(=O)CN2C=C(I)
    C(=O)NC2=O    		 N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
    30188
    NSG
    ZINC000199600282    		 2 C8 H15 N O4 S InChI=1S/C8H15NO4S/c1-3-9
    -5-7(12)6(11)4(2-10)13-8(
    5)14-3/h3-12H,2H2,1H3/t3-
    ,4+,5+,6-,7+,8+/m0/s1;
    XWPUWEBFKDEDIF-JMHNFOGYSA-N    		 CC1NC2C(C(C(OC2S1)CO)O)O; C[CH]1N[CH]2[C
    H](O)[CH](O)[CH](CO)O[CH]2S1; C[C@H]1N[C
    @@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]
    2S1; C[C@H]1N[C@@H]2[C@H]([C@H]([C@H](O[
    C@@H]2S1)CO)O)O    		 (2S,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1H-pyrano[3,2-d][1,3]thiazole-6,7-diol
    30189
    NSI
    CHEMBL376627
    ZINC000001911737    		 2 C30 H23 F3 N2 O4 S InChI=1S/C30H23F3N2O4S/c1
    -39-23-16-14-21(15-17-23)
    27-25-12-5-6-13-26(25)35(
    19-20-8-7-9-22(18-20)30(3
    1,32)33)28(27)29(36)34-40
    (37,38)24-10-3-2-4-11-24/
    h2-18H,19H2,1H3,(H,34,36);
    BCPFCXDCWUXOGT-UHFFFAOYSA-N    		 COc1ccc(cc1)c2c3ccccc3n(Cc4cccc(c4)C(F)(
    F)F)c2C(=O)N[S](=O)(=O)c5ccccc5; O=S(=O)
    (c1ccccc1)NC(=O)c3c(c2ccccc2n3Cc4cccc(c4
    )C(F)(F)F)c5ccc(OC)cc5; COc1ccc(cc1)c2c3
    ccccc3n(c2C(=O)NS(=O)(=O)c4ccccc4)Cc5ccc
    c(c5)C(F)(F)F    		 3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)-1-[3-(TRIFLUOROMETHYL)BENZYL]-1H-INDOLE-2-CARBOXAMIDE
    30190
    NSJ
    ZINC000000237165    		 4 C11 H15 N O S InChI=1S/C11H15NOS/c13-11
    -3-1-2-10(8-11)9-12-4-6-1
    4-7-5-12/h1-3,8,13H,4-7,9
    H2;
    NSDQSEGFFDPDRA-UHFFFAOYSA-N    		 Oc1cccc(CN2CCSCC2)c1; c1cc(cc(c1)O)CN2CC
    SCC2; N1(CCSCC1)Cc2cccc(c2)O    		 3-[(thiomorpholin-4-yl)methyl]phenol
    30191
    NSK
    ZINC000016052354    		 1 C10 H18 N2 O5 InChI=1S/C10H18N2O5/c11-6
    -2-1-3-7(10(16)17)12-8(13
    )4-5-9(14)15/h7H,1-6,11H2
    ,(H,12,13)(H,14,15)(H,16,
    17)/t7-/m0/s1;
    XEOGRHZGJFTETQ-ZETCQYMHSA-N    		 NCCCC[C@H](NC(=O)CCC(O)=O)C(O)=O; O=C(NC
    (C(=O)O)CCCCN)CCC(=O)O; NCCCC[CH](NC(=O)
    CCC(O)=O)C(O)=O; C(CCN)CC(C(=O)O)NC(=O)C
    CC(=O)O; C(CCN)C[C@@H](C(=O)O)NC(=O)CCC(
    =O)O    		 N-SUCCINYL LYSINE;
    N~2~-(3-CARBOXYPROPANOYL)-L-LYSINE
    30192
    NSL
    CHEMBL79759
    ZINC000100010406    		 2 C12 H10 N2 O InChI=1S/C12H10N2O/c15-12
    -8-6-11(7-9-12)14-13-10-4
    -2-1-3-5-10/h1-9,15H/b14-
    13+;
    BEYOBVMPDRKTNR-BUHFOSPRSA-N    		 c1ccc(cc1)/N=N/c2ccc(cc2)O; c1ccc(cc1)N=
    Nc2ccc(cc2)O; c1ccc(cc1)\N=N\c2ccc(O)cc2
    ; Oc1ccc(cc1)N=Nc2ccccc2    		 4-Hydroxyazobenzene;
    4-[(E)-phenyldiazenyl]phenol
    30193
    NSM    		 8 C H3 N O InChI=1S/CH3NO/c1-2-3/h1H
    3;
    IMHRONYAKYWGCC-UHFFFAOYSA-N    		 CN=O; O=NC NITROSOMETHANE
    30194
    NSN
    ZINC000058638732    		 1 C7 H11 N3 O4 InChI=1S/C7H11N3O4/c1-3(6
    (8)13)10-4(7(9)14)2-5(11)
    12/h4H,2H2,1H3,(H2,8,13)(
    H2,9,14)(H,11,12)/b10-3+/
    t4-/m0/s1;
    YZKQNDLOQTXCHV-BNTYAIEMSA-N    		 CC(=[NH+][CH](CC([O-])=O)C(N)=O)C(N)=O;
    [O-]C(=O)CC(/[NH+]=C(/C(=O)N)C)C(=O)N; C
    C(=[NH+]C(CC(=O)[O-])C(=O)N)C(=O)N; CC(=
    [NH+][C@@H](CC([O-])=O)C(N)=O)C(N)=O; CC
    (=[NH+][C@@H](CC(=O)[O-])C(=O)N)C(=O)N    		 N~2~-(2-AMINO-1-METHYL-2-OXOETHYLIDENE)ASPARAGINATE
    30195
    NSO    		 1 C28 H28 F N7 O InChI=1S/C28H28FN7O/c1-3-
    26(37)30-21-5-4-6-22(18-2
    1)31-27-24-17-19(29)7-12-
    25(24)33-28(34-27)32-20-8
    -10-23(11-9-20)36-15-13-3
    5(2)14-16-36/h3-12,17-18H
    ,1,13-16H2,2H3,(H,30,37)(
    H2,31,32,33,34);
    KDWNVZXLHSMELQ-UHFFFAOYSA-N    		 CN1CCN(CC1)c2ccc(cc2)Nc3nc4ccc(cc4c(n3)N
    c5cccc(c5)NC(=O)C=C)F; CN1CCN(CC1)c2ccc(
    Nc3nc(Nc4cccc(NC(=O)C=C)c4)c5cc(F)ccc5n3
    )cc2    		 ~{N}-[3-[[6-fluoranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide
    30196
    NSP
    DB03204
    ZINC000000336542    		 0 C6 H10 N4 InChI=1S/C6H10N4/c1-4-9-3
    -5(2-7)6(8)10-4/h3H,2,7H2
    ,1H3,(H2,8,9,10);
    OZOHTVFCSKFMLL-UHFFFAOYSA-N    		 n1c(N)c(cnc1C)CN; Cc1ncc(c(n1)N)CN; Cc1n
    cc(CN)c(N)n1    		 5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-4-AMINE
    30197
    NSQ
    ZINC000263620619    		 10 C12 H15 N O10 S InChI=1S/C12H15NO10S/c14-
    9-8(5-24(19,20)21)23-12(1
    1(16)10(9)15)22-7-3-1-6(2
    -4-7)13(17)18/h1-4,8-12,1
    4-16H,5H2,(H,19,20,21)/t8
    -,9-,10+,11-,12+/m1/s1;
    JRVQBBIDMNDOQV-ZIQFBCGOSA-N    		 c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@
    H]([C@@H]([C@H](O2)CS(=O)(=O)O)O)O)O; O[
    C@H]1[C@H](O)[C@@H](C[S](O)(=O)=O)O[C@H]
    (Oc2ccc(cc2)[N+]([O-])=O)[C@@H]1O; c1cc(
    ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CS(=O)(=O
    )O)O)O)O; O[CH]1[CH](O)[CH](C[S](O)(=O)=
    O)O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH]1O    		 4-nitrophenyl alpha-D-6-sulfoquinovoside;
    4-NITROPHENYL-ALPHA-D-SULFOQUINOVOSIDE
    30198
    NSR    		 2 C19 H15 Cl N2 O2 InChI=1S/C19H15ClN2O2/c20
    -13-5-6-18-16(9-13)15(7-8
    -24-18)19(23)22-17-11-21-
    10-12-3-1-2-4-14(12)17/h1
    -6,9-11,15H,7-8H2,(H,22,2
    3)/t15-/m1/s1;
    QRUNNMAOPKEFMJ-OAHLLOKOSA-N    		 Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2ccccc21;
    c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)Cl
    ; c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc
    (cc4)Cl; Clc1ccc2OCC[C@@H](C(=O)Nc3cncc4
    ccccc34)c2c1; Clc1ccc2OCC[CH](C(=O)Nc3cn
    cc4ccccc34)c2c1    		 (4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    30199
    NSS    		 7 C14 H21 N8 O8 S InChI=1S/C14H20N8O8S/c15-
    5(1-7(16)23)13(26)21-31(2
    7,28)29-2-6-9(24)10(25)14
    (30-6)22-4-20-8-11(17)18-
    3-19-12(8)22/h3-6,9-10,14
    ,24-25H,1-2,15H2,(H2,16,2
    3)(H,21,26)(H2,17,18,19)/
    p+1/t5-,6+,9+,10+,14+/m0/
    s1;
    MOAVDHSPHZUJSX-UFIIOMENSA-O    		 O=C(N)CC(C(=O)NS(=O)(=O)OCC3OC(n2cnc1c(n
    cnc12)N)C(O)C3O)[NH3+]; NC(=O)C[CH]([NH3
    +])C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)
    [CH]1O)n2cnc3c(N)ncnc23; c1nc(c2c(n1)n(c
    n2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(
    =O)NC(=O)[C@H](CC(=O)N)[NH3+])O)O)N; NC(
    =O)C[C@H]([NH3+])C(=O)N[S](=O)(=O)OC[C@H
    ]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc
    23; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)
    (=O)NC(=O)C(CC(=O)N)[NH3+])O)O)N    		 5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE;
    ASN-SA
    30200
    NST
    DB08306
    ZINC000003881295    		 1 C11 H8 N2 O6 S2 InChI=1S/C11H8N2O6S2/c14-
    11(15)10-9(4-5-20-10)21(1
    8,19)12-7-2-1-3-8(6-7)13(
    16)17/h1-6,12H,(H,14,15);
    CITCNTPVKZFUAJ-UHFFFAOYSA-N    		 c1cc(cc(c1)[N+](=O)[O-])NS(=O)(=O)c2ccsc
    2C(=O)O; OC(=O)c1sccc1[S](=O)(=O)Nc2cccc
    (c2)[N+]([O-])=O; O=C(O)c1sccc1S(=O)(=O)
    Nc2cccc([N+]([O-])=O)c2    		 3-{[(3-NITROANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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