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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
    29601
    NC    		 0 C H5 N InChI=1/CH5N/c1-2/h2H2,1H
    3;
    BAVYZALUXZFZLV-UHFFFAOYAN    		 CN; NC METHYLAMINE GROUP
    29602
    NC0    		 5 C16 H14 N2 O3 InChI=1S/C16H14N2O3/c19-1
    5(20)12-6-2-3-7-13(12)17-
    16(21)18-10-9-11-5-1-4-8-
    14(11)18/h1-8H,9-10H2,(H,
    17,21)(H,19,20);
    SEVISWFLUIXPLQ-UHFFFAOYSA-N    		 OC(=O)c1ccccc1NC(=O)N2CCc3ccccc23; O=C(O
    )c1ccccc1NC(=O)N1CCc2ccccc21; c1ccc2c(c1
    )CCN2C(=O)Nc3ccccc3C(=O)O    		 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid
    29603
    NC1
    DB04041    		 0 C24 H21 N5 O11 S2 InChI=1S/C24H23N5O11S2/c2
    5-16(22(31)32)10-40-24(35
    )20(26-18(30)9-15-2-1-7-4
    1-15)21-27-19(23(33)34)13
    (11-42-21)4-3-12-5-6-14(2
    8(36)37)8-17(12)29(38)39/
    h1-8,16,20-21,27H,9-11,25
    H2,(H,26,30)(H,31,32)(H,3
    3,34)/p-2/b4-3+/t16-,20-,
    21+/m0/s1;
    GPHOELDACAWWAE-DEKCOHRESA-L    		 c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)
    \C=C\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])
    C(=O)[O-])C(=O)OC[C@@H](C(=O)[O-])N; N[C
    @@H](COC(=O)[C@@H](NC(=O)Cc1sccc1)[C@@H]
    2NC(=C(CS2)\C=C\c3ccc(cc3[N+]([O-])=O)[N
    +]([O-])=O)C([O-])=O)C([O-])=O; [O-]C(=O
    )C(N)COC(=O)C(NC(=O)Cc1sccc1)C2SCC(=C(N2
    )C([O-])=O)\C=C\c3ccc([N+]([O-])=O)cc3[N
    +]([O-])=O; N[CH](COC(=O)[CH](NC(=O)Cc1s
    ccc1)[CH]2NC(=C(CS2)C=Cc3ccc(cc3[N+]([O-
    ])=O)[N+]([O-])=O)C([O-])=O)C([O-])=O; c
    1cc(sc1)CC(=O)NC(C2NC(=C(CS2)C=Cc3ccc(cc
    3[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-])C(=
    O)OCC(C(=O)[O-])N    		 NITROCEFIN ACYL-SERINE
    29604
    NC2    		 0 C24 H23 N5 O11 S2 InChI=1/C24H23N5O11S2/c25
    -16(22(31)32)10-40-24(35)
    20(26-18(30)9-15-2-1-7-41
    -15)21-27-19(23(33)34)13(
    11-42-21)4-3-12-5-6-14(28
    (36)37)8-17(12)29(38)39/h
    1-8,16,20-21,27H,9-11,25H
    2,(H,26,30)(H,31,32)(H,33
    ,34)/b4-3+/t16-,20-,21+/m
    0/s1/f/h26,31,33H;
    GPHOELDACAWWAE-LNPOAWELDM    		 O=C(O)C(N)COC(=O)C(NC(=O)Cc1sccc1)C2SCC(
    =C(N2)C(=O)O)\C=C\c3ccc([N+]([O-])=O)cc3
    [N+]([O-])=O; N[C@@H](COC(=O)[C@@H](NC(=
    O)Cc1sccc1)[C@@H]2NC(=C(CS2)\C=C\c3ccc(c
    c3[N+]([O-])=O)[N+]([O-])=O)C(O)=O)C(O)=
    O; N[CH](COC(=O)[CH](NC(=O)Cc1sccc1)[CH]
    2NC(=C(CS2)C=Cc3ccc(cc3[N+]([O-])=O)[N+]
    ([O-])=O)C(O)=O)C(O)=O; c1cc(sc1)CC(=O)N
    [C@@H]([C@@H]2NC(=C(CS2)\C=C\c3ccc(cc3[N
    +](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)OC[C
    @@H](C(=O)O)N; c1cc(sc1)CC(=O)NC(C2NC(=C
    (CS2)C=Cc3ccc(cc3[N+](=O)[O-])[N+](=O)[O
    -])C(=O)O)C(=O)OCC(C(=O)O)N    		 NITROCEFIN ACYL-SERINE
    29605
    NC3
    CHEMBL66380
    DB08256
    ZINC000006691828    		 2 C9 H16 N2 O3 InChI=1S/C9H16N2O3/c12-8(
    13)6-10-9(14)11-7-4-2-1-3
    -5-7/h7H,1-6H2,(H,12,13)(
    H2,10,11,14);
    NVORCMBCUHQRDL-UHFFFAOYSA-N    		 OC(=O)CNC(=O)NC1CCCCC1; O=C(NC1CCCCC1)NC
    C(=O)O; C1CCC(CC1)NC(=O)NCC(=O)O    		 N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE;
    4-(3-CYCLOHEXYLURIEDO)-ETHANOIC ACID
    29606
    NC4
    CHEMBL219695
    DB08257
    ZINC000008754389    		 1 C11 H20 N2 O3 InChI=1S/C11H20N2O3/c14-1
    0(15)7-4-8-12-11(16)13-9-
    5-2-1-3-6-9/h9H,1-8H2,(H,
    14,15)(H2,12,13,16);
    WSVFRGGLURJIMG-UHFFFAOYSA-N    		 C1CCC(CC1)NC(=O)NCCCC(=O)O; O=C(NC1CCCCC
    1)NCCCC(=O)O; OC(=O)CCCNC(=O)NC1CCCCC1    		 4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID;
    4-(3-CYCLOHEXYLURIEDO)-BUTYRIC ACID
    29607
    NC5
    ZINC000026496496    		 0 C33 H45 N5 O2 InChI=1S/C33H45N5O2/c1-3-
    28-9-5-7-17-37(28)19-15-3
    2(39)34-26-13-11-24-21-25
    -12-14-27(23-31(25)36-30(
    24)22-26)35-33(40)16-20-3
    8-18-8-6-10-29(38)4-2/h11
    -14,21-23,28-29H,3-10,15-
    20H2,1-2H3,(H,34,39)(H,35
    ,40)/t28-,29+;
    ZWPUGYBFVBXUSX-ISILISOKSA-N    		 CC[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(c
    c4nc3c2)NC(=O)CC[N@@]5CCCC[C@@H]5CC; CC[
    C@@H]1CCCCN1CCC(=O)Nc2ccc3cc4ccc(NC(=O)C
    CN5CCCC[C@@H]5CC)cc4nc3c2; O=C(Nc3cc2nc1
    cc(ccc1cc2cc3)NC(=O)CCN4C(CCCC4)CC)CCN5C
    (CC)CCCC5; CC[CH]1CCCCN1CCC(=O)Nc2ccc3cc
    4ccc(NC(=O)CCN5CCCC[CH]5CC)cc4nc3c2; CCC
    1CCCCN1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(
    =O)CCN5CCCCC5CC    		 3-[(2R)-2-ethylpiperidin-1-yl]-N-[6-({3-[(2S)-2-ethylpiperidin-1-yl]propanoyl}amino)acridin-3-yl]propanamide
    29608
    NC6
    CHEMBL434374
    DB08258
    ZINC000013493677    		 1 C13 H24 N2 O3 InChI=1S/C13H24N2O3/c16-1
    2(17)9-5-2-6-10-14-13(18)
    15-11-7-3-1-4-8-11/h11H,1
    -10H2,(H,16,17)(H2,14,15,
    18);
    KFTVEPYSUSWBRD-UHFFFAOYSA-N    		 OC(=O)CCCCCNC(=O)NC1CCCCC1; C1CCC(CC1)NC
    (=O)NCCCCCC(=O)O; O=C(NC1CCCCC1)NCCCCCC(
    =O)O    		 6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID;
    4-(3-CYCLOHEXYLURIEDO)-HEXANOIC ACID
    29609
    NC7
    DB08259
    ZINC000013493757    		 1 C14 H26 N2 O3 InChI=1S/C14H26N2O3/c17-1
    3(18)10-6-1-2-7-11-15-14(
    19)16-12-8-4-3-5-9-12/h12
    H,1-11H2,(H,17,18)(H2,15,
    16,19);
    GYTIWWDVOFXKPF-UHFFFAOYSA-N    		 C1CCC(CC1)NC(=O)NCCCCCCC(=O)O; O=C(NC1CC
    CCC1)NCCCCCCC(=O)O; OC(=O)CCCCCCNC(=O)NC
    1CCCCC1    		 7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID;
    4-(3-CYCLOHEXYLURIEDO)-HEPTANOIC ACID
    29610
    NC8    		 1 C30 H34 Br N4 O3 InChI=1S/C30H33BrN4O3/c31
    -26-7-5-25(6-8-26)30(37)3
    8-20-23-13-14-34-17-24(15
    -23)19-35(18-22-3-11-28(3
    3)12-4-22)29(36)16-21-1-9
    -27(32)10-2-21/h1-13,24,3
    4H,14-20,32-33H2/p+1/t24-
    /m1/s1;
    ILVATMQGTNYMLQ-XMMPIXPASA-O    		 c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)CC3CC(=CC[
    NH2+]C3)COC(=O)c4ccc(cc4)Br)N; Nc1ccc(CN
    (C[CH]2C[NH2+]CC=C(COC(=O)c3ccc(Br)cc3)C
    2)C(=O)Cc4ccc(N)cc4)cc1; c1cc(ccc1CC(=O)
    N(Cc2ccc(cc2)N)C[C@@H]3CC(=CC[NH2+]C3)CO
    C(=O)c4ccc(cc4)Br)N; Nc1ccc(CN(C[C@H]2C[
    NH2+]CC=C(COC(=O)c3ccc(Br)cc3)C2)C(=O)Cc
    4ccc(N)cc4)cc1; Brc1ccc(cc1)C(=O)OCC4=CC
    [NH2+]CC(CN(C(=O)Cc2ccc(N)cc2)Cc3ccc(N)c
    c3)C4    		 (3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1H-azepinium
    29611
    NC9    		 1 C23 H31 N4 O2 InChI=1S/C23H30N4O2/c24-2
    1-5-1-17(2-6-21)12-23(29)
    27(14-18-3-7-22(25)8-4-18
    )15-20-11-19(16-28)9-10-2
    6-13-20/h1-9,20,26,28H,10
    -16,24-25H2/p+1/t20-/m1/s
    1;
    WRSLWDODYIRHLE-HXUWFJFHSA-O    		 c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)CC3CC(=CC[
    NH2+]C3)CO)N; c1cc(ccc1CC(=O)N(Cc2ccc(cc
    2)N)C[C@@H]3CC(=CC[NH2+]C3)CO)N; O=C(N(C
    C1CC(=CC[NH2+]C1)CO)Cc2ccc(N)cc2)Cc3ccc(
    N)cc3; Nc1ccc(CN(C[C@H]2C[NH2+]CC=C(CO)C
    2)C(=O)Cc3ccc(N)cc3)cc1; Nc1ccc(CN(C[CH]
    2C[NH2+]CC=C(CO)C2)C(=O)Cc3ccc(N)cc3)cc1    		 (3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-azepinium
    29612
    NCA
    CHEMBL1140
    DB02701
    ZINC000000005878    		 152 C6 H6 N2 O InChI=1S/C6H6N2O/c7-6(9)5
    -2-1-3-8-4-5/h1-4H,(H2,7,
    9);
    DFPAKSUCGFBDDF-UHFFFAOYSA-N    		 c1cc(cnc1)C(=O)N; NC(=O)c1cccnc1; O=C(N)
    c1cccnc1    		 NICOTINAMIDE
    29613
    NCB
    DB04048
    ZINC000082071078    		 0 C4 H8 N2 O3 InChI=1S/C4H8N2O3/c1-2(3(
    7)8)6-4(5)9/h2H,1H3,(H,7,
    8)(H3,5,6,9)/t2-/m1/s1;
    LUSWEUMSEVLFEQ-UWTATZPHSA-N    		 CC(C(=O)O)NC(=O)N; C[C@@H](NC(N)=O)C(O)=
    O; C[C@H](C(=O)O)NC(=O)N; C[CH](NC(N)=O)
    C(O)=O; O=C(O)C(NC(=O)N)C    		 N-CARBAMOYL-ALANINE
    29614
    NCC
    CHEMBL1234647
    DB02485
    ZINC000008215638    		 13 C20 H31 N4 O16 P InChI=1S/C20H31N4O16P/c1-
    7(26)22-12-8(27)4-20(18(3
    2)33,39-16(12)13(29)9(28)
    5-25)40-41(35,36)37-6-10-
    14(30)15(31)17(38-10)24-3
    -2-11(21)23-19(24)34/h2-3
    ,8-10,12-17,25,27-31H,4-6
    H2,1H3,(H,22,26)(H,32,33)
    (H,35,36)(H2,21,23,34)/t8
    -,9+,10+,12+,13+,14+,15+,
    16+,17+,20+/m0/s1;
    TXCIAUNLDRJGJZ-BILDWYJOSA-N    		 CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H](
    [C@@H](CO)O)O)(C(=O)O)O[P@@](=O)(O)OC[C@
    @H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)
    N)O)O)O; CC(=O)N[CH]1[CH](O)C[C](O[CH]1[
    CH](O)[CH](O)CO)(O[P](O)(=O)OC[CH]2O[CH]
    ([CH](O)[CH]2O)N3C=CC(=NC3=O)N)C(O)=O; O
    =C(NC1C(O)CC(OC1C(O)C(O)CO)(OP(=O)(O)OCC
    3OC(N2C(=O)N=C(N)C=C2)C(O)C3O)C(=O)O)C;
    CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OP(=
    O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)O;
    CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]1[C
    @H](O)[C@H](O)CO)(O[P@](O)(=O)OC[C@H]2O[
    C@H]([C@H](O)[C@@H]2O)N3C=CC(=NC3=O)N)C(
    O)=O    		 CYTIDINE-5'-MONOPHOSPHATE-5-N-ACETYLNEURAMINIC ACID
    29615
    NCD
    DB04252
    ZINC000000895230    		 33 C5 H8 N2 O5 InChI=1S/C5H8N2O5/c6-5(12
    )7-2(4(10)11)1-3(8)9/h2H,
    1H2,(H,8,9)(H,10,11)(H3,6
    ,7,12)/t2-/m0/s1;
    HLKXYZVTANABHZ-REOHCLBHSA-N    		 NC(=O)N[C@@H](CC(O)=O)C(O)=O; C([C@@H](C
    (=O)O)NC(=O)N)C(=O)O; O=C(O)C(NC(=O)N)CC
    (=O)O; C(C(C(=O)O)NC(=O)N)C(=O)O; NC(=O)
    N[CH](CC(O)=O)C(O)=O    		 N-CARBAMOYL-L-ASPARTATE
    29616
    NCE
    CHEMBL421143
    ZINC000026495604    		 0 C27 H33 N5 O4 InChI=1S/C27H33N5O4/c33-2
    6(5-7-31-9-13-35-14-10-31
    )28-22-3-1-20-17-21-2-4-2
    3(19-25(21)30-24(20)18-22
    )29-27(34)6-8-32-11-15-36
    -16-12-32/h1-4,17-19H,5-1
    6H2,(H,28,33)(H,29,34);
    PKCWQSROJQAQMV-UHFFFAOYSA-N    		 O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCO
    CC4)CCN5CCOCC5; c1cc(cc2c1cc3ccc(cc3n2)N
    C(=O)CCN4CCOCC4)NC(=O)CCN5CCOCC5; O=C(CC
    N1CCOCC1)Nc2ccc3cc4ccc(NC(=O)CCN5CCOCC5)
    cc4nc3c2    		 3,6-Bis[(3-morpholinopropionamido)] acridine;
    N,N'-acridine-3,6-diylbis(3-morpholin-4-ylpropanamide)
    29617
    NCF    		 4 C13 H14 N2 O5 S2 InChI=1S/C13H14N2O5S2/c16
    -9(6-7-2-1-4-21-7)15-10(1
    3(19)20)11-14-8(12(17)18)
    3-5-22-11/h1-2,4,10-11H,3
    ,5-6H2,(H,15,16)(H,17,18)
    (H,19,20)/t10-,11+/m0/s1;
    LNPNJPUNJYVKHH-WDEREUQCSA-N    		 OC(=O)[CH](NC(=O)Cc1sccc1)[CH]2SCCC(=N2)
    C(O)=O; S1CCC(C(O)=O)=NC1C(C=O)NC(=O)Cc2
    cccs2; c1cc(sc1)CC(=O)N[C@@H]([C@@H]2N=C
    (CCS2)C(=O)O)C(=O)O; c1cc(sc1)CC(=O)NC(C
    2N=C(CCS2)C(=O)O)C(=O)O; OC(=O)[C@@H](NC
    (=O)Cc1sccc1)[C@H]2SCCC(=N2)C(O)=O    		 (2R)-2-{(1R)-2-OXO-1-[(2-THIENYLACETYL)AMINO]ETHYL}-5,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID;
    NITROCEFIN, open form without dinitrophenyl-ethenyl group;
    (2R)-2-[(1R)-2-oxo-1-{[(thiophen-2-yl)acetyl]amino}ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
    29618
    NCG
    ZINC000263620540    		 0 C45 H52 N4 O18 S InChI=1S/C45H52N4O18S/c1-
    18-11-21(62-4)13-23-22(18
    )5-7-29(50)33(23)42(59)66
    -38-37(67-43-34(47-3)36(5
    5)35(54)19(2)64-43)24-12-
    20-9-10-45(61,30-16-63-44
    (60)65-30)26(20)14-25(24)
    39(38)68-17-28(40(56)48-1
    5-32(52)53)49-31(51)8-6-2
    7(46)41(57)58/h5,7,9-14,1
    9,27-28,30,34-39,43,47,50
    ,54-55,61H,6,8,15-17,46H2
    ,1-4H3,(H,48,56)(H,49,51)
    (H,52,53)(H,57,58)/t19-,2
    7-,28+,30-,34-,35+,36-,37
    -,38+,39+,43-,45-/m1/s1;
    HZICOJKOTQKXNL-RKDHACFISA-N    		 O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC7c3
    cc1c(C=CC1(O)C2OC(=O)OC2)cc3C(OC4OC(C(O)
    C(O)C4NC)C)C7OC(=O)c6c5cc(OC)cc(c5ccc6O)
    C; Cc1cc(cc2c1ccc(c2C(=O)OC3C(c4cc5c(cc4
    C3SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C
    (C=C5)(C6COC(=O)O6)O)OC7C(C(C(C(O7)C)O)O
    )NC)O)OC; CN[C@@H]1[C@@H](O)[C@@H](O)[C@
    @H](C)O[C@@H]1O[C@H]2[C@H](OC(=O)c3c(O)c
    cc4c(C)cc(OC)cc34)[C@@H](SC[C@H](NC(=O)C
    C[C@@H](N)C(O)=O)C(=O)NCC(O)=O)c5cc6c(C=
    C[C@]6(O)[C@H]7COC(=O)O7)cc25; Cc1cc(cc2
    c1ccc(c2C(=O)O[C@H]3[C@@H](c4cc5c(cc4[C@
    @H]3SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H]
    (C(=O)O)N)[C@](C=C5)([C@H]6COC(=O)O6)O)O
    [C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O
    )NC)O)OC; CN[CH]1[CH](O)[CH](O)[CH](C)O[
    CH]1O[CH]2[CH](OC(=O)c3c(O)ccc4c(C)cc(OC
    )cc34)[CH](SC[CH](NC(=O)CC[CH](N)C(O)=O)
    C(=O)NCC(O)=O)c5cc6c(C=C[C]6(O)[CH]7COC(
    =O)O7)cc25    		 [(R)-4-((1,3-DIOXOLANE-2-OXY)-4-(S)-YL)-4-HYDROXY]-(R)-10-(2-METHYLAMINO-5-METHYL-2,6-DIDEOXYGALACTOPYRANOSYL-OXY)-(R)-11-(2-HYDROXY-5-METHYL-7-METHOXY-1-NAPHTHOYL-OXY)-(R)-12-S-GLUTATHIONYL-4,10,11,12-TETRAHYDROINDACENE;
    NCSI-GLU;
    NEOCARZINOSTATIN-GLUTATHIONE CHROMOPHORE
    29619
    NCH
    ZINC000004521729    		 2 C11 H18 N2 O6 P InChI=1S/C11H17N2O6P/c1-1
    3(2,3)8-9-18-20(16,17)19-
    11-6-4-10(5-7-11)12(14)15
    /h4-7H,8-9H2,1-3H3/p+1;
    NAIXASFEPQPICN-UHFFFAOYSA-O    		 C[N+](C)(C)CCOP(=O)(O)Oc1ccc(cc1)[N+](=O
    )[O-]; C[N+](C)(C)CCO[P@@](O)(=O)Oc1ccc(
    cc1)[N+]([O-])=O; [O-][N+](=O)c1ccc(OP(=
    O)(OCC[N+](C)(C)C)O)cc1; C[N+](C)(C)CCO[
    P@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]; C[N+]
    (C)(C)CCO[P](O)(=O)Oc1ccc(cc1)[N+]([O-])
    =O    		 P-NITROPHENYL-PHOSPHOCHOLINE
    29620
    NCI
    ZINC000058649857    		 0 C33 H45 N5 O2 InChI=1S/C33H45N5O2/c1-3-
    28-9-5-7-17-37(28)19-15-3
    2(39)34-26-13-11-24-21-25
    -12-14-27(23-31(25)36-30(
    24)22-26)35-33(40)16-20-3
    8-18-8-6-10-29(38)4-2/h11
    -14,21-23,28-29H,3-10,15-
    20H2,1-2H3,(H,34,39)(H,35
    ,40)/t28-,29-/m1/s1;
    ZWPUGYBFVBXUSX-FQLXRVMXSA-N    		 CC[C@@H]1CCCCN1CCC(=O)Nc2ccc3cc4ccc(NC(=
    O)CCN5CCCC[C@H]5CC)cc4nc3c2; CC[C@@H]1CC
    CC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(
    =O)CC[N@@]5CCCC[C@H]5CC; O=C(Nc3cc2nc1cc
    (ccc1cc2cc3)NC(=O)CCN4C(CCCC4)CC)CCN5C(C
    C)CCCC5; CC[CH]1CCCCN1CCC(=O)Nc2ccc3cc4c
    cc(NC(=O)CCN5CCCC[CH]5CC)cc4nc3c2; CCC1C
    CCCN1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O
    )CCN5CCCCC5CC    		 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine;
    N,N'-acridine-3,6-diylbis{3-[(2R)-2-ethylpiperidin-1-yl]propanamide}
    29621
    NCJ
    ZINC000058649859    		 0 C31 H41 N5 O2 InChI=1S/C31H41N5O2/c1-22
    -7-3-5-15-35(22)17-13-30(
    37)32-26-11-9-24-19-25-10
    -12-27(21-29(25)34-28(24)
    20-26)33-31(38)14-18-36-1
    6-6-4-8-23(36)2/h9-12,19-
    23H,3-8,13-18H2,1-2H3,(H,
    32,37)(H,33,38)/t22-,23-/
    m1/s1;
    AFTOIBDEHJTNKF-DHIUTWEWSA-N    		 O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4C(C
    CCC4)C)CCN5C(C)CCCC5; C[CH]1CCCCN1CCC(=O
    )Nc2ccc3cc4ccc(NC(=O)CCN5CCCC[CH]5C)cc4n
    c3c2; C[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4
    ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@H]5C;
    CC1CCCCN1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)N
    C(=O)CCN5CCCCC5C; C[C@@H]1CCCCN1CCC(=O)N
    c2ccc3cc4ccc(NC(=O)CCN5CCCC[C@H]5C)cc4nc
    3c2    		 3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine;
    N,N'-acridine-3,6-diylbis{3-[(2R)-2-methylpiperidin-1-yl]propanamide}
    29622
    NCK
    CHEMBL309919
    ZINC000026488967    		 0 C31 H41 N5 O2 InChI=1S/C31H41N5O2/c1-22
    -7-13-35(14-8-22)17-11-30
    (37)32-26-5-3-24-19-25-4-
    6-27(21-29(25)34-28(24)20
    -26)33-31(38)12-18-36-15-
    9-23(2)10-16-36/h3-6,19-2
    3H,7-18H2,1-2H3,(H,32,37)
    (H,33,38);
    BQDBDQOPOGFTHF-UHFFFAOYSA-N    		 CC1CCN(CC1)CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2
    )NC(=O)CCN5CCC(CC5)C; CC1CCN(CC1)CCC(=O)
    Nc2ccc3cc4ccc(NC(=O)CCN5CCC(C)CC5)cc4nc3
    c2; O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN
    4CCC(CC4)C)CCN5CCC(C)CC5    		 3,6-Bis[3-(4-methylpiperidino)propionamido]acridine;
    N,N'-acridine-3,6-diylbis[3-(4-methylpiperidin-1-yl)propanamide]
    29623
    NCL
    ZINC000026498547    		 0 C31 H41 N5 O2 InChI=1S/C31H41N5O2/c1-22
    -5-3-13-35(20-22)15-11-30
    (37)32-26-9-7-24-17-25-8-
    10-27(19-29(25)34-28(24)1
    8-26)33-31(38)12-16-36-14
    -4-6-23(2)21-36/h7-10,17-
    19,22-23H,3-6,11-16,20-21
    H2,1-2H3,(H,32,37)(H,33,3
    8)/t22-,23-/m1/s1;
    JGEGKUSUCAFTEW-DHIUTWEWSA-N    		 O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCC
    C(C4)C)CCN5CCCC(C)C5; C[C@@H]1CCCN(CCC(=
    O)Nc2ccc3cc4ccc(NC(=O)CCN5CCC[C@@H](C)C5
    )cc4nc3c2)C1; CC1CCCN(C1)CCC(=O)Nc2ccc3c
    c4ccc(cc4nc3c2)NC(=O)CCN5CCCC(C5)C; C[C@
    @H]1CCC[N@](C1)CCC(=O)Nc2ccc3cc4ccc(cc4n
    c3c2)NC(=O)CC[N@]5CCC[C@H](C5)C; C[CH]1C
    CCN(CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN5CCC[C
    H](C)C5)cc4nc3c2)C1    		 3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine;
    N,N'-acridine-3,6-diylbis{3-[(3R)-3-methylpiperidin-1-yl]propanamide}
    29624
    NCM
    DB03540
    ZINC000001693941    		 1 C7 H10 O InChI=1S/C7H10O/c8-7-4-5-
    1-2-6(7)3-5/h5-6H,1-4H2/t
    5-,6+/m0/s1;
    KPMKEVXVVHNIEY-NTSWFWBYSA-N    		 C1CC2CC1CC2=O; O=C1C[CH]2CC[CH]1C2; O=C1
    CC2CC1CC2; O=C1C[C@H]2CC[C@@H]1C2; C1C[C
    @@H]2C[C@H]1CC2=O    		 NORCAMPHOR
    29625
    NCN
    DB02382    		 49 C11 H14 N O9 P InChI=1S/C11H14NO9P/c13-8
    -7(5-20-22(17,18)19)21-10
    (9(8)14)12-3-1-2-6(4-12)1
    1(15)16/h1-4,7-10,13-14H,
    5H2,(H2-,15,16,17,18,19)/
    t7-,8-,9-,10-/m1/s1;
    JOUIQRNQJGXQDC-ZYUZMQFOSA-N    		 c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)[O-])
    O)O)C(=O)O; [O-]P(=O)(O)OCC2OC([n+]1cc(c
    cc1)C(=O)O)C(O)C2O; c1cc(c[n+](c1)[C@H]2
    [C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-
    ])O)O)C(=O)O; O[CH]1[CH](O)[CH](O[CH]1CO
    [P](O)([O-])=O)[n+]2cccc(c2)C(O)=O; O[C@
    H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)([O-]
    )=O)[n+]2cccc(c2)C(O)=O    		 NICOTINATE MONONUCLEOTIDE;
    NAMN
    29626
    NCO
    DB03350    		 0 Co H18 N6 InChI=1S/Co.6H3N/h;6*1H3/
    q+3;;;;;;;
    DYLMFCCYOUSRTK-UHFFFAOYSA-N    		 [NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[
    NH3]; N.N.N.N.N.N.[Co+3]    		 COBALT HEXAMMINE(III)
    29627
    NCP    		 0 Cl2 H4 N2 Pt InChI=1S/2ClH.2H2N.Pt/h2*
    1H;2*1H2;/q;;2*-1;+4/p-2;
    DQLATGHUWYMOKM-UHFFFAOYSA-L    		 Cl[Pt](Cl)(N)N; N[Pt](N)(Cl)Cl CIS-DIAMINODICHLOROPLATINUM
    29628
    NCQ
    CHEMBL82008
    ZINC000013557558    		 0 C31 H41 N5 O2 InChI=1S/C31H41N5O2/c37-3
    0(13-19-35-15-5-1-2-6-16-
    35)32-26-11-9-24-21-25-10
    -12-27(23-29(25)34-28(24)
    22-26)33-31(38)14-20-36-1
    7-7-3-4-8-18-36/h9-12,21-
    23H,1-8,13-20H2,(H,32,37)
    (H,33,38);
    MSWYQCALXGGGBX-UHFFFAOYSA-N    		 c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCCCC4
    )NC(=O)CCN5CCCCCC5; O=C(CCN1CCCCCC1)Nc2c
    cc3cc4ccc(NC(=O)CCN5CCCCCC5)cc4nc3c2; O=
    C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCCCC
    C4)CCN5CCCCCC5    		 3,6-Bis[3-(azepan-1-yl)propionamido]acridine;
    N,N'-acridine-3,6-diylbis(3-azepan-1-ylpropanamide)
    29629
    NCR
    CHEMBL1234658
    DB04110
    ZINC000020230664    		 2 C7 H7 N O3 InChI=1S/C7H7NO3/c1-5-2-3
    -7(9)6(4-5)8(10)11/h2-4,9
    H,1H3;
    SYDNSSSQVSOXTN-UHFFFAOYSA-N    		 O=[N+]([O-])c1cc(ccc1O)C; Cc1ccc(c(c1)[N
    +](=O)[O-])O; Cc1ccc(O)c(c1)[N+]([O-])=O    		 2-NITRO-P-CRESOL
    29630
    NCS    		 0 C35 H36 N O12 InChI=1S/C35H35NO12/c1-14
    -9-17(43-4)11-22-18(14)5-
    6-23(37)35(22)25-19-12-21
    -16(7-8-34(21,42)24-13-44
    -33(41)46-24)10-20(19)29(
    30(25)48-32(35)40)47-31-2
    6(36-3)28(39)27(38)15(2)4
    5-31/h5-12,15,24-31,36,38
    -39,42H,13H2,1-4H3/p+1/t1
    5-,24-,25-,26-,27+,28-,29
    -,30-,31-,34-,35+/m1/s1;
    OBDNPHCYNBAIOJ-KDIFMUJMSA-O    		 C[NH2+][C@@H]1[C@@H](O)[C@@H](O)[C@@H](C
    )O[C@@H]1O[C@H]2[C@@H]3OC(=O)[C@]4([C@@H
    ]3c5cc6c(C=C[C@]6(O)[C@H]7COC(=O)O7)cc25
    )C(=O)C=Cc8c(C)cc(OC)cc48; Cc1cc(cc2c1C=
    CC(=O)C23C4c5cc6c(cc5C(C4OC3=O)OC7C(C(C(
    C(O7)C)O)O)[NH2+]C)C=CC6(C8COC(=O)O8)O)O
    C; O=C1OCC(O1)C3(O)c2cc7c(cc2C=C3)C(OC4O
    C(C(O)C(O)C4[NH2+]C)C)C8OC(=O)C6(c5cc(OC
    )cc(c5C=CC6=O)C)C78; C[NH2+][CH]1[CH](O)
    [CH](O)[CH](C)O[CH]1O[CH]2[CH]3OC(=O)[C]
    4([CH]3c5cc6c(C=C[C]6(O)[CH]7COC(=O)O7)c
    c25)C(=O)C=Cc8c(C)cc(OC)cc48; Cc1cc(cc2c
    1C=CC(=O)[C@]23[C@@H]4c5cc6c(cc5[C@H]([C
    @@H]4OC3=O)O[C@@H]7[C@@H]([C@H]([C@H]([C
    @H](O7)C)O)O)[NH2+]C)C=C[C@@]6([C@H]8COC
    (=O)O8)O)OC
    29631
    NCT
    CHEMBL3
    DB00184
    ZINC000000391812    		 101 C10 H14 N2 InChI=1S/C10H14N2/c1-12-7
    -3-5-10(12)9-4-2-6-11-8-9
    /h2,4,6,8,10H,3,5,7H2,1H3
    /t10-/m0/s1;
    SNICXCGAKADSCV-JTQLQIEISA-N    		 C[N@@]1CCC[C@H]1c2cccnc2; n1cc(ccc1)C2N(
    C)CCC2; CN1CCC[C@H]1c2cccnc2; CN1CCCC1c2
    cccnc2; CN1CCC[CH]1c2cccnc2    		 (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE;
    (S)-(-)-NICOTINE;
    3-[(2S)-1-METHYL-2-PYRROLIDINYL] PYRIDINE
    29632
    NCU
    ZINC000263620791    		 0 C12 H19 N4 O8 P InChI=1S/C12H19N4O8P/c1-6
    -3-16(11(18)14-9(6)13)10-
    7-8(17)12(23-10,4-15(2)24
    -7)5-22-25(19,20)21/h3,7-
    8,10,17H,4-5H2,1-2H3,(H2,
    13,14,18)(H2,19,20,21)/t7
    -,8+,10-,12-/m1/s1;
    NFVTVBMMWKQGEV-UJYYTQATSA-N    		 CN1C[C]2(CO[P](O)(O)=O)O[CH]([CH](O1)[CH
    ]2O)N3C=C(C)C(=NC3=O)N; CN1C[C@]2(CO[P](
    O)(O)=O)O[C@H]([C@H](O1)[C@@H]2O)N3C=C(C
    )C(=NC3=O)N; O=C1N=C(N)C(=CN1C3OC2(C(O)C
    3ON(C)C2)COP(=O)(O)O)C; CC1=CN(C(=O)N=C1
    N)C2C3C(C(O2)(CN(O3)C)COP(=O)(O)O)O; CC1
    =CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](
    O2)(CN(O3)C)COP(=O)(O)O)O    		 [(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1(2H)-yl)-8-hydroxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate
    29633
    NCV
    ZINC000058650795    		 2 C10 H16 N2 O4 InChI=1S/C10H16N2O4/c1-6-
    8(3-7(4-13)5-14)12(2)10(1
    6)11-9(6)15/h7,13-14H,3-5
    H2,1-2H3,(H,11,15,16);
    FMPCUJIPAJPVKR-UHFFFAOYSA-N    		 CN1C(=O)NC(=O)C(=C1CC(CO)CO)C; CC1=C(N(C
    (=O)NC1=O)C)CC(CO)CO; O=C1C(=C(N(C(=O)N1
    )C)CC(CO)CO)C    		 N-Methyl-6-(1,3-dihydroxy-isobutyl)thymine;
    6-[3-hydroxy-2-(hydroxymethyl)propyl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione;
    N-methyl-DHBT
    29634
    NCW
    DB08260
    ZINC000053683045    		 2 C15 H28 N2 O4 S InChI=1S/C15H28N2O4S/c1-2
    -3-4-5-6-7-8-16-15(22)17-
    10-9-21-14(17)13(20)12(19
    )11(10)18/h10-14,18-20H,2
    -9H2,1H3,(H,16,22)/t10-,1
    1+,12-,13+,14+/m0/s1;
    LFSNQOFOMJLHIW-MEBFFEOJSA-N    		 CCCCCCCCNC(=S)N1[C@H]2CO[C@@H]1[C@H](O)[
    C@@H](O)[C@@H]2O; CCCCCCCCNC(=S)N1[C@H]2
    CO[C@@H]1[C@@H]([C@H]([C@@H]2O)O)O; CCCC
    CCCCNC(=S)N1[CH]2CO[CH]1[CH](O)[CH](O)[C
    H]2O; CCCCCCCCNC(=S)N1C2COC1C(C(C2O)O)O;
    S=C(N2C1C(O)C(O)C(O)C2OC1)NCCCCCCCC    		 (1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide
    29635
    NCX
    ZINC000058649829    		 0 C14 H16 N3 O9 P InChI=1S/C14H16N3O9P/c15-
    14(19)9-5-16(10-2-1-7(17(
    20)21)3-8(9)10)13-4-11(18
    )12(26-13)6-25-27(22,23)2
    4/h1-3,5,11-13,18H,4,6H2,
    (H2,15,19)(H2,22,23,24)/t
    11-,12+,13+/m0/s1;
    AWLFWQPJPLUSDJ-YNEHKIRRSA-N    		 [O-][N+](=O)c2cc1c(cn(c1cc2)C3OC(C(O)C3)
    COP(=O)(O)O)C(=O)N; NC(=O)c1cn([CH]2C[CH
    ](O)[CH](CO[P](O)(O)=O)O2)c3ccc(cc13)[N+
    ]([O-])=O; NC(=O)c1cn([C@H]2C[C@H](O)[C@
    @H](CO[P](O)(O)=O)O2)c3ccc(cc13)[N+]([O-
    ])=O; c1cc2c(cc1[N+](=O)[O-])c(cn2[C@H]3
    C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N; c
    1cc2c(cc1[N+](=O)[O-])c(cn2C3CC(C(O3)COP
    (=O)(O)O)O)C(=O)N    		 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-NITRO-1H-INDOLE-3-CARBOXAMIDE
    29636
    NCY
    ZINC000004280685    		 0 C4 H9 N O2 S InChI=1S/C4H9NO2S/c1-5-3(
    2-8)4(6)7/h3,5,8H,2H2,1H3
    ,(H,6,7)/t3-/m0/s1;
    DVOOXRTYGGLORL-VKHMYHEASA-N    		 CNC(CS)C(=O)O; CN[C@@H](CS)C(O)=O; CN[CH
    ](CS)C(O)=O; CN[C@@H](CS)C(=O)O; O=C(O)C
    (NC)CS    		 N-METHYLCYSTEINE
    29637
    NCZ
    CHEMBL291386
    DB08261
    ZINC000100036551    		 1 C18 H18 O6 InChI=1S/C18H18O6/c1-9-7-
    10(23-2)8-12-11(9)3-4-13(
    19)16(12)18(22)24-17-14(2
    0)5-6-15(17)21/h3-8,14-15
    ,17,19-21H,1-2H3/t14-,15+
    ,17+;
    XILHLKXLRFUQFI-QLPKVWCKSA-N    		 COc1cc(C)c2ccc(O)c(C(=O)O[C@H]3[C@H](O)C
    =C[C@@H]3O)c2c1; Cc1cc(cc2c1ccc(c2C(=O)O
    C3[C@H](C=C[C@H]3O)O)O)OC; O=C(OC1C(O)C=
    CC1O)c3c2cc(OC)cc(c2ccc3O)C; Cc1cc(cc2c1
    ccc(c2C(=O)OC3C(C=CC3O)O)O)OC; COc1cc(C)
    c2ccc(O)c(C(=O)O[CH]3[CH](O)C=C[CH]3O)c2
    c1    		 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-CYCLOPENT-3-ENYL ESTER
    29638
    ND    		 6 Nd InChI=1S/Nd/q+3;
    UYIXUPGBIXNDHN-UHFFFAOYSA-N    		 [Nd+3] Neodymium Ion
    29639
    ND1    		 2 C30 H29 F4 N5 O2 InChI=1S/C30H29F4N5O2/c1-
    39(2)27(40)9-6-14-35-15-1
    6-41-26-13-11-22(19-36-26
    )28(21-10-12-25-23(17-21)
    29(31)38-37-25)24(18-30(3
    2,33)34)20-7-4-3-5-8-20/h
    3-13,17,19,35H,14-16,18H2
    ,1-2H3,(H,37,38)/b9-6?,28
    -24-;
    JPFTZIJTXCHJNE-LTZHIIGJSA-N    		 CN(C)C(=O)C=CCNCCOc1ccc(cn1)C(=C(CC(F)(F
    )F)c2ccccc2)c3ccc4c(c3)c([nH]n4)F; CN(C)
    C(=O)C=CCNCCOc1ccc(cn1)/C(=C(/CC(F)(F)F)
    \c2ccccc2)/c3ccc4c(c3)c([nH]n4)F; CN(C)C
    (=O)C=CCNCCOc1ccc(cn1)C(=C(CC(F)(F)F)c2c
    cccc2)c3ccc4n[nH]c(F)c4c3; c1cc(cnc1OCCN
    C[C@H]=[C@H]C(N(C)C)=O)\C(=C(/c2ccccc2)C
    C(F)(F)F)c4cc3c(F)nnc3cc4; CN(C)C(=O)\C=
    C/CNCCOc1ccc(cn1)/C(=C(/CC(F)(F)F)c2cccc
    c2)c3ccc4n[nH]c(F)c4c3    		 (2Z)-N,N-dimethyl-4-{[2-({5-[(1Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide
    29640
    ND2
    CHEMBL5266181    		 4 C24 H29 N9 O InChI=1S/C24H29N9O/c1-24(
    8-9-24)34-22-21-20(5-4-19
    (28-21)16-12-25-32(3)14-1
    6)29-23(30-22)27-17-13-26
    -33(15-17)18-6-10-31(2)11
    -7-18/h4-5,12-15,18H,6-11
    H2,1-3H3,(H,27,29,30);
    WGMWEVJCHUDPID-UHFFFAOYSA-N    		 CN1CCC(CC1)n2cc(Nc3nc(OC4(C)CC4)c5nc(ccc
    5n3)c6cnn(C)c6)cn2; CC1(CC1)Oc2c3c(ccc(n
    3)c4cnn(c4)C)nc(n2)Nc5cnn(c5)C6CCN(CC6)C    		 4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine
    29641
    ND3
    ZINC000230505609    		 1 C9 H14 O6 InChI=1S/C9H14O6/c1-8(2)6
    (12)5(11)4(10)3-9(8,15)7(
    13)14/h4-5,10-11,15H,3H2,
    1-2H3,(H,13,14)/t4-,5+,9+
    /m1/s1;
    FWOMLGVRVSLROK-YZNMAWMESA-N    		 CC1(C(=O)C(C(CC1(C(=O)O)O)O)O)C; O=C1C(C
    (O)(C(=O)O)CC(O)C1O)(C)C; CC1(C(=O)[C@H]
    ([C@@H](C[C@@]1(C(=O)O)O)O)O)C; CC1(C)C(
    =O)[CH](O)[CH](O)C[C]1(O)C(O)=O; CC1(C)C
    (=O)[C@@H](O)[C@H](O)C[C@]1(O)C(O)=O    		 2,2-dimethyl-3-dehydroquinic acid
    29642
    ND4    		 3 N InChI=1S/H3N/h1H3/p+1/i/h
    D4;
    QGZKDVFQNNGYKY-JBISRTOLSA-O    		 [N+]([2H])([2H])([2H])[2H]; [2H][N+]([2H
    ])([2H])[2H]    		 AMMONIUM CATION WITH D
    29643
    ND5
    CHEMBL4795232    		 2 C10 H9 Br2 N O4 InChI=1S/C10H9Br2NO4/c11-
    7-3-6(10(16)8(12)4-7)5-13
    -17-2-1-9(14)15/h3-5,16H,
    1-2H2,(H,14,15)/b13-5+;
    VPPGEQCITQLSNE-WLRTZDKTSA-N    		 OC(=O)CCON=Cc1cc(Br)cc(Br)c1O; c1c(cc(c(
    c1C=NOCCC(=O)O)O)Br)Br; OC(=O)CCO\N=C\c1
    cc(Br)cc(Br)c1O; c1c(cc(c(c1/C=N/OCCC(=O
    )O)O)Br)Br    		 3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid
    29644
    ND6    		 1 C20 H23 N5 O2 InChI=1S/C20H23N5O2/c1-15
    (14-26)17-4-2-16(3-5-17)1
    2-20(27)25-10-8-24(9-11-2
    5)19-7-6-18(13-21)22-23-1
    9/h2-7,15,26H,8-12,14H2,1
    H3/t15-/m0/s1;
    YTRLPBJDLDKLMQ-HNNXBMFYSA-N    		 O=C(Cc1ccc(cc1)C(C)CO)N1CCN(CC1)c1ccc(C#
    N)nn1; C[C@@H](CO)c1ccc(cc1)CC(=O)N2CCN(
    CC2)c3ccc(nn3)C#N; C[C@@H](CO)c1ccc(CC(=
    O)N2CCN(CC2)c3ccc(nn3)C#N)cc1; CC(CO)c1c
    cc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N; C[
    CH](CO)c1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C
    #N)cc1    		 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile
    29645
    ND7
    CHEMBL583986
    ZINC000004096224    		 2 C10 H15 N6 O6 P InChI=1S/C10H15N6O6P/c11-
    8-5-9(14-2-13-8)16(3-15-5
    )10-7(18)6(17)4(22-10)1-2
    1-23(12,19)20/h2-4,6-7,10
    ,17-18H,1H2,(H2,11,13,14)
    (H3,12,19,20)/t4-,6-,7-,1
    0-/m1/s1;
    LDEMREUBLBGZBO-KQYNXXCUSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(N)O
    )O)O)N; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO
    [P](N)(O)=O)[C@@H](O)[C@H]3O; c1nc(c2c(n
    1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP
    (=O)(N)O)O)O)N; Nc1ncnc2n(cnc12)[CH]3O[C
    H](CO[P](N)(O)=O)[CH](O)[CH]3O; OP(OCC3C
    (C(O)C(n1cnc2c1ncnc2N)O3)O)(=O)N    		 5'-O-[(S)-amino(hydroxy)phosphoryl]adenosine
    29646
    ND8
    CHEMBL312607
    ZINC000000042511    		 3 C9 H6 O2 S InChI=1S/C9H6O2S/c10-9(11
    )8-5-6-3-1-2-4-7(6)12-8/h
    1-5H,(H,10,11);
    DYSJMQABFPKAQM-UHFFFAOYSA-N    		 c1ccc2c(c1)cc(s2)C(=O)O; OC(=O)c1sc2cccc
    c2c1    		 benzothiophene 2 carboxylic acid
    29647
    ND9    		 1 C21 H30 Cl N3 O3 InChI=1S/C21H30ClN3O3/c22
    -14-19(26)24-15-16-8-12-2
    5(13-9-16)20(27)21(10-6-1
    7(23)7-11-21)28-18-4-2-1-
    3-5-18/h1-5,16-17H,6-15,2
    3H2,(H,24,26)/t17-,21-;
    KYZPVSMGBRSVOQ-CYWCHRQTSA-N    		 N[C@@H]1CC[C@](CC1)(Oc2ccccc2)C(=O)N3CC[
    C@H](CC3)CNC(=O)CCl; N[CH]1CC[C](CC1)(Oc
    2ccccc2)C(=O)N3CC[CH](CC3)CNC(=O)CCl; c1
    ccc(cc1)OC2(CCC(CC2)N)C(=O)N3CCC(CC3)CNC
    (=O)CCl    		 N-[[1-(4-azanyl-1-phenoxy-cyclohexyl)carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide
    29648
    NDA
    DB03797    		 1 C21 H29 N7 O13 P2 InChI=1S/C21H29N7O13P2/c2
    2-4-10-2-1-3-27(5-10)20-1
    6(31)14(29)11(39-20)6-37-
    42(33,34)41-43(35,36)38-7
    -12-15(30)17(32)21(40-12)
    28-9-26-13-18(23)24-8-25-
    19(13)28/h1-3,5,8-9,11-12
    ,14-17,20-21,29-32H,4,6-7
    ,22H2,(H3-,23,24,25,33,34
    ,35,36)/t11-,12-,14-,15-,
    16-,17-,20-,21-/m1/s1;
    HMCRLFVYYFBZEZ-PLEFRAQWSA-N    		 NCc1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])
    (=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[
    C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2
    O; c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-]
    )OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)
    O)O)O)CN; c1cc(c[n+](c1)[C@H]2[C@@H]([C@
    @H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)
    (O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5
    c4ncnc5N)O)O)O)O)CN; NCc1ccc[n+](c1)[CH]
    2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3
    O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH
    ](O)[CH]2O    		 3-AMINOMETHYL-PYRIDINIUM-ADENINE-DINUCLEOTIDE
    29649
    NDB
    ZINC000002379127    		 2 C7 H18 N O4 S InChI=1S/C7H17NO4S/c1-8(2
    ,5-6-9)4-3-7-13(10,11)12/
    h9H,3-7H2,1-2H3/p+1;
    CNXPCGBLGHKAIL-UHFFFAOYSA-O    		 C[N+](C)(CCCS(=O)(=O)O)CCO; C[N+](C)(CCO
    )CCC[S](O)(=O)=O; O=S(=O)(O)CCC[N+](C)(C
    CO)C    		 N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfopropan-1-aminium
    29650
    NDC
    DB03168    		 1 C27 H35 N7 O15 P2 InChI=1S/C27H35N7O15P2/c2
    8-23-18-25(31-10-30-23)34
    (11-32-18)27-22(39)20(37)
    17(48-27)9-46-51(43,44)49
    -50(41,42)45-8-16-19(36)2
    1(38)26(47-16)33-6-5-12(1
    4(7-33)24(29)40)13-3-1-2-
    4-15(13)35/h5-7,10-11,13,
    16-17,19-22,26-27,36-39H,
    1-4,8-9H2,(H5-,28,29,30,3
    1,40,41,42,43,44)/t13-,16
    +,17+,19+,20+,21+,22+,26+
    ,27+/m0/s1;
    HTFHWJHTWKCYLR-RINXRSLZSA-N    		 c1c[n+](cc(c1[C@@H]2CCCCC2=O)C(=O)N)[C@H
    ]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[
    P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O
    4)n5cnc6c5ncnc6N)O)O)O)O; NC(=O)c1c[n+](
    ccc1[CH]2CCCCC2=O)[CH]3O[CH](CO[P]([O-])
    (=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4
    O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O; c1c[n+
    ](cc(c1C2CCCCC2=O)C(=O)N)C3C(C(C(O3)COP(
    =O)([O-])OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5n
    cnc6N)O)O)O)O; NC(=O)c1c[n+](ccc1[C@@H]2
    CCCCC2=O)[C@@H]3O[C@H](CO[P]([O-])(=O)O[
    P](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O
    )n5cnc6c(N)ncnc56)[C@@H](O)[C@H]3O    		 NICOTINAMIDE ADENINE DINUCLEOTIDE CYCLOHEXANONE
    29651
    NDD
    CHEMBL1205452
    DB08262
    ZINC000000156288    		 1 C12 H8 O4 InChI=1S/C12H8O4/c13-11(1
    4)9-3-1-7-5-10(12(15)16)4
    -2-8(7)6-9/h1-6H,(H,13,14
    )(H,15,16);
    RXOHFPCZGPKIRD-UHFFFAOYSA-N    		 c1cc(cc2c1cc(cc2)C(=O)O)C(=O)O; O=C(O)c1
    ccc2c(c1)ccc(C(=O)O)c2; OC(=O)c1ccc2cc(c
    cc2c1)C(O)=O    		 2,6-DICARBOXYNAPHTHALENE
    29652
    NDE    		 2 C24 H32 N7 O20 P3 InChI=1S/C24H32N7O20P3/c2
    5-20-14-22(28-7-27-20)31(
    8-29-14)24-19(37)17(35)13
    (50-24)6-48-54(44,45)51-5
    3(42,43)47-5-12-16(34)18(
    36)23(49-12)30-2-1-9(10(3
    -30)21(26)38)15(33)11(32)
    4-46-52(39,40)41/h1-3,7-8
    ,12-13,15-19,23-24,33-37H
    ,4-6H2,(H7-,25,26,27,28,3
    8,39,40,41,42,43,44,45)/t
    12-,13-,15?,16-,17-,18-,1
    9-,23-,24-/m1/s1;
    IVZPTIKSOMOSEU-WPIGAQFXSA-N    		 NC(=O)c1c[n+](ccc1[C@@H](O)C(=O)CO[P](O)
    (O)=O)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@]
    (O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n
    4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O; c1c[n+
    ](cc(c1[C@H](C(=O)COP(=O)(O)O)O)C(=O)N)[
    C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(
    [O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([
    C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O; NC(=O)c
    1c[n+](ccc1[CH](O)C(=O)CO[P](O)(O)=O)[CH
    ]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]
    3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[C
    H](O)[CH]2O; c1c[n+](cc(c1C(C(=O)COP(=O)
    (O)O)O)C(=O)N)C2C(C(C(O2)COP(=O)([O-])OP
    (=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O
    )O    		 ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) P'-5'-ESTER WITH 3-(AMINOCARBONYL)-4-(1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPYL)-1-BETA-D-RIBOFURANOSYLPYRIDINIUM INNER SALT;
    NAD WITH (1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPANE)
    29653
    NDF
    CHEMBL486146
    DB08263
    ZINC000026637924    		 4 C11 H11 N O5 InChI=1S/C11H11NO5/c13-9(
    11(16)17)12-8(10(14)15)6-
    7-4-2-1-3-5-7/h1-5,8H,6H2
    ,(H,12,13)(H,14,15)(H,16,
    17)/t8-/m1/s1;
    ULQWGBCNOHBNDB-MRVPVSSYSA-N    		 OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(O)=O; O=C
    (O)C(=O)NC(C(=O)O)Cc1ccccc1; OC(=O)[CH](
    Cc1ccccc1)NC(=O)C(O)=O; c1ccc(cc1)CC(C(=
    O)O)NC(=O)C(=O)O; c1ccc(cc1)C[C@H](C(=O)
    O)NC(=O)C(=O)O    		 N-(CARBOXYCARBONYL)-D-PHENYLALANINE
    29654
    NDG
    CHEMBL1234669
    DB03740
    ZINC000003860151    		 0 C8 H15 N O6 InChI=1S/C8H15NO6/c1-3(11
    )9-5-7(13)6(12)4(2-10)15-
    8(5)14/h4-8,10,12-14H,2H2
    ,1H3,(H,9,11)/t4-,5-,6-,7
    -,8+/m1/s1;
    OVRNDRQMDRJTHS-PVFLNQBWSA-N    		 CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1
    O; CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H
    ](O)[C@@H]1O; O=C(NC1C(O)C(O)C(OC1O)CO)C
    ; CC(=O)NC1C(C(C(OC1O)CO)O)O; CC(=O)N[C@
    @H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O    		 2-acetamido-2-deoxy-alpha-D-glucopyranose;
    N-acetyl-alpha-D-glucosamine;
    2-acetamido-2-deoxy-alpha-D-glucose;
    2-acetamido-2-deoxy-D-glucose;
    2-acetamido-2-deoxy-glucose;
    2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE
    29655
    NDH
    DB08264
    ZINC000000388541    		 1 C10 H10 O2 InChI=1S/C10H10O2/c11-9-6
    -5-7-3-1-2-4-8(7)10(9)12/
    h1-6,9-12H/t9-,10+/m0/s1;
    QPUHWUSUBHNZCG-VHSXEESVSA-N    		 O[CH]1C=Cc2ccccc2[CH]1O; O[C@H]1C=Cc2ccc
    cc2[C@H]1O; OC2C=Cc1c(cccc1)C2O; c1ccc2c
    (c1)C=C[C@@H]([C@@H]2O)O; c1ccc2c(c1)C=C
    C(C2O)O    		 (1R, 2S)-CIS 1,2 DIHYDROXY-1,2-DIHYDRONAPHTHALENE;
    (1R,2S)-1,2-DIHYDRONAPHTHALENE-1,2-DIOL
    29656
    NDI    		 1 C14 H20 N4 O2 InChI=1S/C14H20N4O2/c1-11
    -3-4-15-9-13(11)16-14(20)
    10-17-5-7-18(8-6-17)12(2)
    19/h3-4,9H,5-8,10H2,1-2H3
    ,(H,16,20);
    YHXAYSKGSZLMHI-UHFFFAOYSA-N    		 O=C(CN1CCN(CC1)C(C)=O)Nc1cnccc1C; Cc1ccn
    cc1NC(=O)CN2CCN(CC2)C(=O)C; CC(=O)N1CCN(
    CC1)CC(=O)Nc2cnccc2C    		 2-(4-acetylpiperazin-1-yl)-N-(4-methylpyridin-3-yl)acetamide
    29657
    NDJ
    ZINC000098209217    		 4 C11 H22 N2 O4 S InChI=1S/C11H22N2O4S/c1-2
    -3-4-12-11(18)13-5-8(15)1
    0(17)9(16)7(13)6-14/h7-10
    ,14-17H,2-6H2,1H3,(H,12,1
    8)/t7-,8+,9+,10-/m1/s1;
    VCRXDLDGTLMSHK-XFWSIPNHSA-N    		 CCCCNC(=S)N1C[C@@H]([C@H]([C@H]([C@H]1CO
    )O)O)O; CCCCNC(=S)N1CC(C(C(C1CO)O)O)O; C
    CCCNC(=S)N1C[CH](O)[CH](O)[CH](O)[CH]1CO
    ; CCCCNC(=S)N1C[C@H](O)[C@@H](O)[C@@H](O
    )[C@H]1CO; S=C(NCCCC)N1C(C(O)C(O)C(O)C1)
    CO    		 (2R,3S,4R,5S)-N-butyl-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide
    29658
    NDK    		 1 C19 H21 F N6 O InChI=1S/C19H21FN6O/c1-13
    (2)19-16(20)9-14(12-22-19
    )10-18(27)26-7-5-25(6-8-2
    6)17-4-3-15(11-21)23-24-1
    7/h3-4,9,12-13H,5-8,10H2,
    1-2H3;
    KVGVKTZXYYUWKQ-UHFFFAOYSA-N    		 O=C(Cc1cc(F)c(nc1)C(C)C)N1CCN(CC1)c1ccc(
    C#N)nn1; CC(C)c1ncc(CC(=O)N2CCN(CC2)c3cc
    c(nn3)C#N)cc1F; CC(C)c1c(cc(cn1)CC(=O)N2
    CCN(CC2)c3ccc(nn3)C#N)F    		 6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile
    29659
    NDM
    DB01978
    ZINC000095921273    		 1 C7 H14 N5 O InChI=1S/C7H14N5O/c1-11-3
    -12(2)5-4(11)6(13)10-7(8)
    9-5/h3,6-7,9-10,13H,8H2,1
    -2H3/q+1/t6-,7+/m0/s1;
    UCYXILDOFXGENE-NKWVEPMBSA-N    		 OC2c1[n+](cn(c1NC(N)N2)C)C; Cn1c[n+](C)c
    2[CH](O)N[CH](N)Nc12; Cn1c[n+](C)c2[C@H]
    (O)N[C@H](N)Nc12; Cn1c[n+](c2c1NC(NC2O)N
    )C    		 7,9-DIMETHYLGUANINE
    29660
    NDN
    CHEMBL1234672    		 2 C9 H12 N3 O10 P InChI=1S/C9H12N3O10P/c13-
    5-1-7(22-6(5)3-21-23(18,1
    9)20)11-2-4(12(16)17)8(14
    )10-9(11)15/h2,5-7,13H,1,
    3H2,(H,10,14,15)(H2,18,19
    ,20)/t5-,6+,7+/m0/s1;
    LVLPVLNNXRTCHP-RRKCRQDMSA-N    		 [O-][N+](=O)C=1C(=O)NC(=O)N(C=1)C2OC(C(O
    )C2)COP(=O)(O)O; C1[C@@H]([C@H](O[C@H]1N
    2C=C(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O
    )O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O
    )N2C=C(C(=O)NC2=O)[N+]([O-])=O; C1C(C(OC
    1N2C=C(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O
    )O)O; O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2
    C=C(C(=O)NC2=O)[N+]([O-])=O    		 2'-DEOXY-5-NITROURIDINE 5'-(DIHYDROGEN PHOSPHATE);
    [(2R,3S,5R)-3-HYDROXY-5-(5-NITRO-2,4-DIOXO-PYRIMIDIN-1-YL)OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
    29661
    NDO    		 1 C21 H27 N6 O18 P3 InChI=1S/C21H27N6O18P3/c2
    2-17(31)9-2-1-3-26(4-9)20
    -15(30)13(28)10(42-20)5-4
    0-47(36,37)45-48(38,39)41
    -6-11-14(29)16(44-46(33,3
    4)35)21(43-11)27-8-25-12-
    18(27)23-7-24-19(12)32/h1
    -4,7-8,10-11,13-16,20-21,
    28-30H,5-6H2,(H6-,22,23,2
    4,31,32,33,34,35,36,37,38
    ,39)/t10-,11-,13-,14-,15-
    ,16-,20-,21-/m1/s1;
    WKSUSMNNBQFESD-NNYOXOHSSA-N    		 NC(=O)c1ccc[n+](c1)[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(O)ncnc45)
    [C@@H](O)[C@H]2O; c1cc(c[n+](c1)[C@H]2[C
    @@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[
    P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O
    3)n4cnc5c4ncnc5O)OP(=O)(O)O)O)O)O)C(=O)N
    ; c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])
    OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5O)OP(
    =O)(O)O)O)O)O)C(=O)N; NC(=O)c1ccc[n+](c1
    )[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC
    [CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cn
    c5c(O)ncnc45)[CH](O)[CH]2O    		 NICOTINAMIDE-(6-DEAMINO-6-HYDROXY-ADENINE)-DINUCLEOTIDE PHOSPHATE
    29662
    NDP
    CHEMBL407009
    DB02338
    ZINC000008215411    		 2542 C21 H30 N7 O17 P3 InChI=1S/C21H30N7O17P3/c2
    2-17-12-19(25-7-24-17)28(
    8-26-12)21-16(44-46(33,34
    )35)14(30)11(43-21)6-41-4
    8(38,39)45-47(36,37)40-5-
    10-13(29)15(31)20(42-10)2
    7-3-1-2-9(4-27)18(23)32/h
    1,3-4,7-8,10-11,13-16,20-
    21,29-31H,2,5-6H2,(H2,23,
    32)(H,36,37)(H,38,39)(H2,
    22,24,25)(H2,33,34,35)/t1
    0-,11-,13-,14-,15-,16-,20
    -,21-/m1/s1;
    ACFIXJIJDZMPPO-NNYOXOHSSA-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=CCC(=C5)C(=O
    )N)O)O)O)OP(=O)(O)O)N; NC(=O)C1=CN(C=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=C
    C1)[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=CCC(=C5)C(=O)N
    )O)O)O)OP(=O)(O)O)N    		 NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
    29663
    NDQ
    ZINC000040447672    		 8 C12 H19 N4 O8 P2 S InChI=1S/C12H18N4O8P2S/c1
    -8-10(3-4-23-26(20,21)24-
    25(17,18)19)27-7-16(8)6-9
    -5-14-12(22-2)15-11(9)13/
    h5,7H,3-4,6H2,1-2H3,(H4-,
    13,14,15,17,18,19,20,21)/
    p+1;
    PWBCVHDHRGCQHM-UHFFFAOYSA-O    		 Cc1c(sc[n+]1Cc2cnc(nc2N)OC)CCOP(=O)(O)OP
    (=O)(O)O; COc1ncc(C[n+]2csc(CCO[P](O)(=O
    )O[P](O)(O)=O)c2C)c(N)n1    		 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
    29664
    NDR
    CHEMBL1162
    DB00717
    ZINC000085205451    		 3 C20 H26 O2 InChI=1S/C20H26O2/c1-3-20
    (22)11-9-18-17-6-4-13-12-
    14(21)5-7-15(13)16(17)8-1
    0-19(18,20)2/h1,12,15-18,
    22H,4-11H2,2H3/t15-,16+,1
    7+,18-,19-,20-/m0/s1;
    VIKNJXKGJWUCNN-XGXHKTLJSA-N    		 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)
    O)CCC4=CC(=O)CC[C@H]34; C[C]12CC[CH]3[CH
    ](CCC4=CC(=O)CC[CH]34)[CH]1CC[C]2(O)C#C;
    C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H
    ]34)[C@@H]1CC[C@@]2(O)C#C; CC12CCC3C(C1C
    CC2(C#C)O)CCC4=CC(=O)CCC34    		 (14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one
    29665
    NDS
    CHEMBL1234674
    DB02618    		 15 C7 H17 N O3 S InChI=1S/C7H17NO3S/c1-4-8
    (2,3)6-5-7-12(9,10)11/h4-
    7H2,1-3H3;
    NNCRHRDBFDCWPA-UHFFFAOYSA-N    		 CC[N+](C)(C)CCC[S]([O-])(=O)=O; CC[N+](C
    )(C)CCCS(=O)(=O)[O-]; [O-]S(=O)(=O)CCC[N
    +](C)(CC)C    		 ETHYL DIMETHYL AMMONIO PROPANE SULFONATE
    29666
    NDT
    CHEMBL168634
    DB08265
    ZINC000169748506    		 23 C14 H13 B N2 O3 S InChI=1S/C14H13BN2O3S/c1-
    11-6-8-13(9-7-11)21(19,20
    )17-15(18)14-5-3-2-4-12(1
    4)10-16-17/h2-10,18H,1H3;
    UQIDNSKBUXCODH-UHFFFAOYSA-N    		 B1(c2ccccc2C=NN1S(=O)(=O)c3ccc(cc3)C)O;
    B1(c2ccccc2C=N[N@@]1S(=O)(=O)c3ccc(cc3)C
    )O; Cc1ccc(cc1)[S](=O)(=O)N2N=Cc3ccccc3B
    2O; O=S(=O)(N2N=Cc1c(cccc1)B2O)c3ccc(cc3
    )C    		 2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL
    29667
    NDU
    ZINC000103550818    		 13 C9 H14 N3 O10 P InChI=1S/C9H14N3O10P/c13-
    5-1-7(22-6(5)3-21-23(18,1
    9)20)11-2-4(12(16)17)8(14
    )10-9(11)15/h4-7,13H,1-3H
    2,(H,10,14,15)(H2,18,19,2
    0)/t4-,5+,6-,7-/m1/s1;
    ZYBJIJYGXJSDTC-XZBKPIIZSA-N    		 C1[C@@H]([C@H](O[C@H]1N2CC(C(=O)NC2=O)[N
    +](=O)[O-])COP(=O)(O)O)O; O[CH]1C[CH](O[
    CH]1CO[P](O)(O)=O)N2C[CH](C(=O)NC2=O)[N+
    ]([O-])=O; C1C(C(OC1N2CC(C(=O)NC2=O)[N+]
    (=O)[O-])COP(=O)(O)O)O; O[C@H]1C[C@@H](O
    [C@@H]1CO[P](O)(O)=O)N2C[C@H](C(=O)NC2=O
    )[N+]([O-])=O; [O-][N+](=O)C1C(=O)NC(=O)
    N(C1)C2OC(C(O)C2)COP(=O)(O)O    		 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE
    29668
    NDV
    ZINC000095921040    		 2 C16 H21 N3 O4 S InChI=1S/C16H21N3O4S/c1-1
    6(2)12(15(22)23)19-14(24-
    16)10(8-20)18-13(21)11(17
    )9-6-4-3-5-7-9/h3-8,10-12
    ,14,19H,17H2,1-2H3,(H,18,
    21)(H,22,23)/t10-,11-,12+
    ,14+/m1/s1;
    WHAIWIUXAXKSOT-NMKXLXIOSA-N    		 CC1(C(NC(S1)C(C=O)NC(=O)C(c2ccccc2)N)C(=
    O)O)C; CC1([C@@H](N[C@@H](S1)[C@@H](C=O)
    NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C; O=C(NC
    (C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N;
    CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH
    ](N)c2ccccc2)C=O; CC1(C)S[C@H](N[C@H]1C(
    O)=O)[C@H](NC(=O)[C@H](N)c2ccccc2)C=O    		 (2S,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
    29669
    NDW    		 1 C21 H30 N7 O17 P3 InChI=1S/C21H30N7O17P3/c2
    2-17-12-19(25-7-24-17)28(
    8-26-12)21-16(44-46(33,34
    )35)14(30)11(43-21)6-41-4
    8(38,39)45-47(36,37)40-5-
    10-13(29)15(31)20(42-10)2
    7-3-1-2-9(4-27)18(23)32/h
    1,3-4,7-8,10-11,13-16,20-
    21,29-31H,2,5-6H2,(H2,23,
    32)(H,36,37)(H,38,39)(H2,
    22,24,25)(H2,33,34,35)/t1
    0-,11-,13-,14-,15-,16-,20
    +,21-/m1/s1;
    ACFIXJIJDZMPPO-OPDHFMQKSA-N    		 NC(=O)C1=CN(C=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=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
    CC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N; c1nc(c
    2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3
    )COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]
    ([C@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O
    )(O)O)N    		 alpha-NADPH;
    [[(2~{R},3~{S},4~{R},5~{S})-5-(3-aminocarbonyl-4~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
    29670
    NDX    		 1 C44 H66 N9 O19 P3 InChI=1S/C44H66N9O19P3/c1
    -42(2,3)51-39(59)26-8-7-2
    4-21-6-9-29-44(5,25(21)10
    -12-43(24,26)4)14-22(38(5
    8)50-29)20-11-13-52(15-23
    (20)36(46)57)40-33(56)31(
    54)27(69-40)16-67-74(63,6
    4)72-75(65,66)68-17-28-32
    (55)34(71-73(60,61)62)41(
    70-28)53-19-49-30-35(45)4
    7-18-48-37(30)53/h11,13,1
    5,18-22,24-29,31-34,40-41
    ,54-56H,6-10,12,14,16-17H
    2,1-5H3,(H2,46,57)(H,50,5
    8)(H,51,59)(H,63,64)(H,65
    ,66)(H2,45,47,48)(H2,60,6
    1,62)/t20-,21+,22+,24+,25
    +,26-,27-,28-,29-,31-,32-
    ,33-,34-,40-,41-,43+,44-/
    m1/s1;
    SBPCUEDRMWGINQ-DAPYLVMHSA-N    		 CC(C)(C)NC(=O)[CH]1CC[CH]2[CH]3CC[CH]4NC
    (=O)[CH](C[C]4(C)[CH]3CC[C]12C)[CH]5C=CN
    (C=C5C(N)=O)[CH]6O[CH](CO[P](O)(=O)O[P](
    O)(=O)OC[CH]7O[CH]([CH](O[P](O)(O)=O)[CH
    ]7O)n8cnc9c(N)ncnc89)[CH](O)[CH]6O; CC12
    CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(CC(C(=
    O)N4)C5C=CN(C=C5C(=O)N)C6C(C(C(O6)COP(=O
    )(O)OP(=O)(O)OCC7C(C(C(O7)n8cnc9c8ncnc9N
    )OP(=O)(O)O)O)O)O)C; C[C@]12CC[C@H]3[C@H
    ]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H
    ]4[C@@]3(C[C@H](C(=O)N4)C5C=CN(C=C5C(=O)
    N)[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)(O
    )OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7
    )n8cnc9c8ncnc9N)OP(=O)(O)O)O)O)O)C; CC(C
    )(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N
    C(=O)[C@@H](C[C@]4(C)[C@H]3CC[C@]12C)[C@
    H]5C=CN(C=C5C(N)=O)[C@@H]6O[C@H](CO[P](O
    )(=O)O[P](O)(=O)OC[C@H]7O[C@H]([C@H](O[P
    ](O)(O)=O)[C@@H]7O)n8cnc9c(N)ncnc89)[C@@
    H](O)[C@H]6O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S},3~{a}~{S},3~{b}~{S},5~{a}~{R},8~{S},9~{a}~{R},9~{b}~{S},11~{a}~{S})-1-(~{tert}-butylcarbamoyl)-9~{a},11~{a}-dimethyl-7-oxidanylidene-1,2,3,3~{a},3~{b},4,5,5~{a},6,8,9,9~{b},10,11-tetradecahydroindeno[5,4-f]quinolin-8-yl]-3-aminocarbonyl-4~{H}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
    29671
    NDY
    CHEMBL3233398
    ZINC000098209218    		 1 C15 H18 O6 InChI=1S/C15H18O6/c16-11(
    6-9-4-2-1-3-5-9)10-7-15(2
    1,14(19)20)8-12(17)13(10)
    18/h1-5,7,11-13,16-18,21H
    ,6,8H2,(H,19,20)/t11-,12-
    ,13-,15+/m1/s1;
    TUXIFONUTATTJM-BHPKHCPMSA-N    		 O=C(O)C2(O)C=C(C(O)Cc1ccccc1)C(O)C(O)C2;
    O[CH]1C[C](O)(C=C([CH](O)Cc2ccccc2)[CH]
    1O)C(O)=O; c1ccc(cc1)C[C@H](C2=C[C@](C[C
    @H]([C@@H]2O)O)(C(=O)O)O)O; O[C@@H]1C[C@
    @](O)(C=C([C@H](O)Cc2ccccc2)[C@H]1O)C(O)
    =O; c1ccc(cc1)CC(C2=CC(CC(C2O)O)(C(=O)O)
    O)O    		 (1R,4R,5R)-1,4,5-trihydroxy-3-[(1R)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid
    29672
    NDZ
    CHEMBL221868
    ZINC000035838253    		 5 C11 H17 N O8 InChI=1S/C11H17NO8/c12-4(
    9(15)16)1-11(10(17)18)2-6
    -8(20-11)7(14)5(13)3-19-6
    /h4-8,13-14H,1-3,12H2,(H,
    15,16)(H,17,18)/t4-,5+,6+
    ,7+,8-,11+/m0/s1;
    NRTJEXLNSCGBJU-FQYLSUDWSA-N    		 C1C2C(C(C(CO2)O)O)OC1(CC(C(=O)O)N)C(=O)O
    ; C1[C@@H]2[C@@H]([C@@H]([C@@H](CO2)O)O)
    O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O; N[C@@H]
    (C[C@@]1(C[C@H]2OC[C@@H](O)[C@@H](O)[C@H
    ]2O1)C(O)=O)C(O)=O; O=C(O)C(N)CC2(OC1C(O
    CC(O)C1O)C2)C(=O)O; N[CH](C[C]1(C[CH]2OC
    [CH](O)[CH](O)[CH]2O1)C(O)=O)C(O)=O    		 (2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid
    29673
    NE0    		 1 C9 H16 N2 O18 P4 InChI=1S/C9H16N2O18P4/c12
    -5-1-2-11(9(14)10-5)8-7(2
    7-30(15,16)17)6(13)4(26-8
    )3-25-32(21,22)29-33(23,2
    4)28-31(18,19)20/h1-2,4,6
    -8,13H,3H2,(H,21,22)(H,23
    ,24)(H,10,12,14)(H2,15,16
    ,17)(H2,18,19,20)/t4-,6-,
    7-,8-/m1/s1;
    OATQDFNIQGUFQP-XVFCMESISA-N    		 O[CH]1[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O
    )(O)=O)O[CH]([CH]1O[P](O)(O)=O)N2C=CC(=O
    )NC2=O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(
    =O)(O)OP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)O;
    C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@
    H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)OP
    (=O)(O)O; O[C@@H]1[C@@H](CO[P](O)(=O)O[P
    ](O)(=O)O[P](O)(O)=O)O[C@H]([C@@H]1O[P](
    O)(O)=O)N2C=CC(=O)NC2=O    		 [[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
    29674
    NE1
    CHEMBL1234676    		 2 C12 H5 Cl5 O InChI=1S/C12H5Cl5O/c13-7-
    2-1-6(10(16)11(7)17)5-3-8
    (14)12(18)9(15)4-5/h1-4,1
    8H;
    YICLFMBHTHJFHZ-UHFFFAOYSA-N    		 Oc1c(Cl)cc(cc1Cl)c2ccc(Cl)c(Cl)c2Cl; Clc
    2ccc(c1cc(Cl)c(O)c(Cl)c1)c(Cl)c2Cl; c1cc
    (c(c(c1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl)Cl    		 2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL
    29675
    NE2
    CHEMBL1234677
    ZINC000006092189    		 2 C12 H6 Cl4 O InChI=1S/C12H6Cl4O/c13-8-
    2-1-6(3-9(8)14)7-4-10(15)
    12(17)11(16)5-7/h1-5,17H;
    RQGVZEFZWFEKQR-UHFFFAOYSA-N    		 Clc2ccc(c1cc(Cl)c(O)c(Cl)c1)cc2Cl; c1cc(
    c(cc1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl; Oc1c(Cl)
    cc(cc1Cl)c2ccc(Cl)c(Cl)c2    		 3,3',4',5-TETRACHLOROBIPHENYL-4-OL
    29676
    NE3    		 1 C20 H20 F N5 O InChI=1S/C20H20FN5O/c21-1
    8-11-14(1-5-17(18)15-2-3-
    15)12-20(27)26-9-7-25(8-1
    0-26)19-6-4-16(13-22)23-2
    4-19/h1,4-6,11,15H,2-3,7-
    10,12H2;
    SDZXVXWCRYXAOH-UHFFFAOYSA-N    		 O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(CC1)c1ccc(
    C#N)nn1; Fc1cc(CC(=O)N2CCN(CC2)c3ccc(nn3
    )C#N)ccc1C4CC4; c1cc(c(cc1CC(=O)N2CCN(CC
    2)c3ccc(nn3)C#N)F)C4CC4    		 6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
    29677
    NE4
    CHEMBL489140
    ZINC000004102257    		 2 C20 H30 O2 InChI=1S/C20H30O2/c1-13-1
    1-20-10-7-15-18(2,16(20)6
    -5-14(13)12-20)8-4-9-19(1
    5,3)17(21)22/h14-16H,1,4-
    12H2,2-3H3,(H,21,22)/t14-
    ,15+,16+,18-,19-,20-/m1/s
    1;
    NIKHGUQULKYIGE-OTCXFQBHSA-N    		 C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[
    C@H](C3)C(=C)C4)(C)C(=O)O; C324C(C1(CCCC
    (C(O)=O)(C1CC2)C)C)CCC(C3)/C(=C)C4; CC12
    CCCC(C1CCC34C2CCC(C3)C(=C)C4)(C)C(=O)O;
    C[C@@]12CCC[C@](C)([C@H]1CC[C@@]34C[C@@H
    ](CC[C@@H]23)C(=C)C4)C(O)=O; C[C]12CCC[C
    ](C)([CH]1CC[C]34C[CH](CC[CH]23)C(=C)C4)
    C(O)=O    		 (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid;
    ent-kaurenoic acid
    29678
    NE5    		 1 C24 H16 N2 O8 InChI=1S/C24H16N2O8/c27-1
    8-11-10-16(12-17(18)24(31
    )32)25-20(13-6-8-15(9-7-1
    3)26(33)34)19(22(29)23(25
    )30)21(28)14-4-2-1-3-5-14
    /h1-12,20,27,29H,(H,31,32
    )/q+1/t20-/m1/s1;
    JFULNDGRPQGBFO-HXUWFJFHSA-N    		 c1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)[
    N+](=O)=O)c4ccc(c(c4)C(=O)O)O)O; OC(=O)c
    1cc(ccc1O)N2[C@H](c3ccc(cc3)[N+](=O)=O)C
    (=C(O)C2=O)C(=O)c4ccccc4; OC(=O)c1cc(ccc
    1O)N2[CH](c3ccc(cc3)[N+](=O)=O)C(=C(O)C2
    =O)C(=O)c4ccccc4; c1ccc(cc1)C(=O)C2=C(C(
    =O)N([C@@H]2c3ccc(cc3)[N+](=O)=O)c4ccc(c
    (c4)C(=O)O)O)O    		 5-[(2~{R})-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid
    29679
    NE6
    DB08266    		 6 C23 H31 N O6 InChI=1S/C23H31NO6/c1-6-9
    -15(2)11-12-17(4)21(26)20
    -18(25)14-19(30-22(20)27)
    16(3)10-7-8-13-24-23(28)2
    9-5/h11-14,16,20H,6-10H2,
    1-5H3/b15-11+,17-12+,24-1
    3+/t16-,20?/m1/s1;
    LTDLIPXLSBMTFP-FSAISGGASA-N    		 CCCC(C)=CC=C(C)C(=O)[CH]1C(=O)OC(=CC1=O)
    [CH](C)CCCC=NC(=O)OC; CCCC(/C)=C/C=C(C)/
    C(=O)[C@H]1C(=O)OC(=CC1=O)[C@H](C)CCCC=N
    C(=O)OC; CCC/C(=C/C=C(\C)/C(=O)C1C(=O)C=
    C(OC1=O)[C@H](C)CCC\C=N\C(=O)OC)/C; O=C(
    \C(=C\C=C(/C)CCC)C)C1C(=O)C=C(OC1=O)C(C)
    CCC\C=N\C(=O)OC; CCCC(=CC=C(C)C(=O)C1C(=
    O)C=C(OC1=O)C(C)CCCC=NC(=O)OC)C    		 methyl [(1E,5R)-5-{(3S)-3-[(2E,4E)-2,5-dimethylocta-2,4-dienoyl]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hexylidene]carbamate
    29680
    NE7
    CHEMBL4456326    		 2 C30 H42 N2 O8 S InChI=1S/C30H42N2O8S/c1-4
    -20(2)17-32(41(36,37)24-1
    2-10-23(11-13-24)21(3)33)
    18-27(34)26(16-22-8-6-5-7
    -9-22)31-30(35)40-28-19-3
    9-29-25(28)14-15-38-29/h5
    -13,20-21,25-29,33-34H,4,
    14-19H2,1-3H3,(H,31,35)/t
    20-,21+,25-,26-,27+,28-,2
    9+/m0/s1;
    SPEKXEILCYOTSL-COKGOQGVSA-N    		 CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)N
    C(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(
    =O)c4ccc(cc4)[C@@H](C)O; CCC(C)CN(CC(C(C
    c1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)
    c4ccc(cc4)C(C)O; C(C(Cc1ccccc1)NC(OC2C3C
    (OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)C(C
    )O)(=O)=O)O; CC[C@H](C)CN(C[C@H]([C@H](C
    c1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO
    3)O)S(=O)(=O)c4ccc(cc4)[C@@H](C)O; CC[CH
    ](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH
    ]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)
    [CH](C)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
    29681
    NE8
    DB08267
    ZINC000033836604    		 5 C17 H15 N5 O InChI=1S/C17H15N5O/c18-17
    -21-14-11(7-6-10-4-2-1-3-
    5-10)15-13(19-9-20-15)8-1
    2(14)16(23)22-17/h1-5,8-9
    H,6-7H2,(H,19,20)(H3,18,2
    1,22,23);
    PBZAIUVFRISTSZ-UHFFFAOYSA-N    		 c1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]c
    n3; NC1=Nc2c(CCc3ccccc3)c4nc[nH]c4cc2C(=
    O)N1; O=C1NC(=Nc3c1cc2c(ncn2)c3CCc4ccccc
    4)N    		 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
    29682
    NE9    		 1 C22 H29 Cl2 N3 O3 InChI=1S/C22H29Cl2N3O3/c2
    3-15-19(28)25-18-13-21(14
    -18)5-9-27(10-6-21)20(29)
    22(7-11-30-12-8-22)26-17-
    3-1-16(24)2-4-17/h1-4,18,
    26H,5-15H2,(H,25,28);
    BCCVMEZMRYSIML-UHFFFAOYSA-N    		 c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC4(CC3)CC(C
    4)NC(=O)CCl)Cl; ClCC(=O)NC1CC2(CCN(CC2)C
    (=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C1    		 2-chloranyl-N-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]ethanamide
    29683
    NEA
    CHEMBL563938
    ZINC000005941246    		 14 C12 H18 N6 O3 S InChI=1S/C12H18N6O3S/c13-
    1-2-22-3-6-8(19)9(20)12(2
    1-6)18-5-17-7-10(14)15-4-
    16-11(7)18/h4-6,8-9,12,19
    -20H,1-3,13H2,(H2,14,15,1
    6)/t6-,8-,9-,12-/m1/s1;
    APAPOJUCRZTCHD-WOUKDFQISA-N    		 NCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc
    3c(N)ncnc23; c1nc(c2c(n1)n(cn2)[C@H]3[C@
    @H]([C@@H]([C@H](O3)CSCCN)O)O)N; n2c1c(n
    cnc1n(c2)C3OC(C(O)C3O)CSCCN)N; c1nc(c2c(
    n1)n(cn2)C3C(C(C(O3)CSCCN)O)O)N; NCCSC[C
    H]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23    		 5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE
    29684
    NEB    		 0 C6 H15 N2 O3 InChI=1S/C6H14N2O3/c7-2-1
    -3(8)5(10)6(11)4(2)9/h2-6
    ,9-11H,1,7-8H2/p+1/t2-,3+
    ,4+,5-,6-;
    DTFAJAKTSMLKAT-JDCCYXBGSA-O    		 C1C(C(C(C(C1N)O)O)O)[NH3+]; N[CH]1C[CH](
    [NH3+])[CH](O)[CH](O)[CH]1O; N[C@H]1C[C@
    @H]([NH3+])[C@H](O)[C@@H](O)[C@@H]1O; OC
    1C(N)CC(C(O)C1O)[NH3+]; C1[C@H]([C@@H]([
    C@H]([C@@H]([C@H]1N)O)O)O)[NH3+]    		 2-DEOXY-D-STREPTAMINE
    29685
    NEC
    CHEMBL464859
    ZINC000003995401    		 10 C12 H16 N6 O4 InChI=1S/C12H16N6O4/c1-2-
    14-11(21)8-6(19)7(20)12(2
    2-8)18-4-17-5-9(13)15-3-1
    6-10(5)18/h3-4,6-8,12,19-
    20H,2H2,1H3,(H,14,21)(H2,
    13,15,16)/t6-,7+,8-,12+/m
    0/s1;
    JADDQZYHOWSFJD-FLNNQWSLSA-N    		 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2
    cnc3c(N)ncnc23; CCNC(=O)[C@@H]1[C@H]([C@
    H]([C@@H](O1)n2cnc3c2ncnc3N)O)O; CCNC(=O
    )C1C(C(C(O1)n2cnc3c2ncnc3N)O)O; O=C(NCC)
    C3OC(n2cnc1c(ncnc12)N)C(O)C3O; CCNC(=O)[
    CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23    		 N-ETHYL-5'-CARBOXAMIDO ADENOSINE
    29686
    NED    		 0 C6 H16 N2 O4 InChI=1/C6H14N2O4/c7-1-2-
    4(9)5(10)3(8)6(11)12-2/h2
    -6,9-11H,1,7-8H2/p+2/t2-,
    3+,4+,5+,6-/m0/s1/fC6H16N
    2O4/h7-8H/q+2;
    SQTHUUHOUPJYLK-QFMCUJGMDC    		 [NH3+]C[CH]1O[CH](O)[CH]([NH3+])[CH](O)[
    CH]1O; C([C@H]1[C@H]([C@@H]([C@H]([C@H](
    O1)O)[NH3+])O)O)[NH3+]; [NH3+]C[C@@H]1O[
    C@H](O)[C@H]([NH3+])[C@@H](O)[C@@H]1O; C
    (C1C(C(C(C(O1)O)[NH3+])O)O)[NH3+]; OC1C(
    O)C(OC(O)C1[NH3+])C[NH3+]    		 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSE
    29687
    NEE
    CHEMBL2326053
    ZINC000095581655    		 1 C18 H17 Cl N2 O InChI=1S/C18H17ClN2O/c1-1
    3-8-17(9-14(2)18(13)19)22
    -16-5-3-4-15(10-16)11-21-
    7-6-20-12-21/h3-10,12H,11
    H2,1-2H3;
    KRDUMXYLMIWMMP-UHFFFAOYSA-N    		 Cc1cc(cc(c1Cl)C)Oc2cccc(c2)Cn3ccnc3; Cc1
    cc(Oc2cccc(Cn3ccnc3)c2)cc(C)c1Cl; Clc3c(
    cc(Oc1cc(ccc1)Cn2ccnc2)cc3C)C    		 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole
    29688
    NEF    		 3 C21 H18 N4 O9 S2 InChI=1S/C21H18N4O9S2/c26
    -16(9-14-2-1-7-35-14)22-1
    8(21(29)30)19-23-17(20(27
    )28)12(10-36-19)4-3-11-5-
    6-13(24(31)32)8-15(11)25(
    33)34/h1-8,18-19,23H,9-10
    H2,(H,22,26)(H,27,28)(H,2
    9,30)/b4-3+/t18-,19+/m0/s
    1;
    PYBZXZZHQKFSGC-CZHQAMEJSA-N    		 OC(=O)[CH](NC(=O)Cc1sccc1)[CH]2NC(=C(CS2
    )C=Cc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)C
    (O)=O; c1cc(sc1)CC(=O)NC(C2NC(=C(CS2)C=C
    c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)
    O)C(=O)O; c1cc(sc1)CC(=O)N[C@@H]([C@@H]2
    NC(=C(CS2)/C=C/c3ccc(cc3[N+](=O)[O-])[N+
    ](=O)[O-])C(=O)O)C(=O)O; OC(=O)[C@@H](NC
    (=O)Cc1sccc1)[C@@H]2NC(=C(CS2)\C=C\c3ccc
    (cc3[N+]([O-])=O)[N+]([O-])=O)C(O)=O    		 Nitrocefin - open form;
    (2R)-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
    29689
    NEG
    CHEMBL78628    		 0 C9 H20 N4 O4 InChI=1S/C9H20N4O4/c1-13(
    5-9(16)17)12-8(15)3-6(11)
    2-7(14)4-10/h6-7,14H,2-5,
    10-11H2,1H3,(H,12,15)(H,1
    6,17)/t6-,7-/m1/s1;
    IKHFJPZQZVMLRH-RNFRBKRXSA-N    		 O=C(O)CN(NC(=O)CC(N)CC(O)CN)C; C[N@@](CC
    (=O)O)NC(=O)C[C@@H](C[C@H](CN)O)N; CN(CC
    (O)=O)NC(=O)C[C@H](N)C[C@@H](O)CN; CN(CC
    (O)=O)NC(=O)C[CH](N)C[CH](O)CN; CN(CC(=O
    )O)NC(=O)CC(CC(CN)O)N    		 NEGAMYCIN;
    3,6-DIAMINO-1-[2-(CARBOXYMETHYL)-2-METHYLHYDRAZINO]-2,3,4,6-TETRADEOXY-L-THREO-HEXOSE
    29690
    NEH
    CHEMBL14449    		 22 C2 H7 N InChI=1S/C2H7N/c1-2-3/h2-
    3H2,1H3;
    QUSNBJAOOMFDIB-UHFFFAOYSA-N    		 CCN; NCC ETHANAMINE
    29691
    NEI
    ZINC000016052106    		 2 C12 H15 I N6 O4 InChI=1S/C12H15IN6O4/c1-2
    -15-10(22)7-5(20)6(21)11(
    23-7)19-3-16-4-8(14)17-12
    (13)18-9(4)19/h3,5-7,11,2
    0-21H,2H2,1H3,(H,15,22)(H
    2,14,17,18)/t5-,6+,7-,11+
    /m0/s1;
    YEBHQRSEUJCFMN-QMWPFBOUSA-N    		 CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2c
    nc3c2nc(nc3N)I)O)O; CCNC(=O)C1C(C(C(O1)n
    2cnc3c2nc(nc3N)I)O)O; Ic1nc(c2ncn(c2n1)C
    3OC(C(=O)NCC)C(O)C3O)N; CCNC(=O)[CH]1O[C
    H]([CH](O)[CH]1O)n2cnc3c(N)nc(I)nc23; CC
    NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cn
    c3c(N)nc(I)nc23    		 (2S,3S,4R,5R)-5-(6-AMINO-2-IODO-9H-PURIN-9-YL)-N-ETHYL-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE
    29692
    NEJ
    CHEMBL4441340    		 2 C30 H42 N2 O8 S InChI=1S/C30H42N2O8S/c1-4
    -20(2)17-32(41(36,37)24-1
    2-10-23(11-13-24)21(3)33)
    18-27(34)26(16-22-8-6-5-7
    -9-22)31-30(35)40-28-19-3
    9-29-25(28)14-15-38-29/h5
    -13,20-21,25-29,33-34H,4,
    14-19H2,1-3H3,(H,31,35)/t
    20-,21-,25-,26-,27+,28-,2
    9+/m0/s1;
    SPEKXEILCYOTSL-DYJPOHNRSA-N    		 CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C
    CO3)O)S(=O)(=O)c4ccc(cc4)C(C)O; CC[C@H](
    C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C
    @H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=O)c4ccc
    (cc4)[C@H](C)O; C(C(Cc1ccccc1)NC(OC2C3C(
    OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)C(C)
    O)(=O)=O)O; CC[C@H](C)CN(C[C@H]([C@H](Cc
    1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3
    )O)S(=O)(=O)c4ccc(cc4)[C@H](C)O; CC[CH](
    C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2
    CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[C
    H](C)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
    29693
    NEK
    CHEMBL4761303    		 0 C10 H11 N O4 InChI=1S/C10H11NO4/c12-9-
    3-1-8(2-4-9)7-11-15-6-5-1
    0(13)14/h1-4,7,12H,5-6H2,
    (H,13,14)/b11-7+;
    RWWIOUDUCKNDSJ-YRNVUSSQSA-N    		 c1cc(ccc1C=NOCCC(=O)O)O; OC(=O)CCON=Cc1c
    cc(O)cc1; c1cc(ccc1/C=N/OCCC(=O)O)O; OC(
    =O)CCO\N=C\c1ccc(O)cc1    		 3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid
    29694
    NEL    		 1 C15 H12 Cl N3 O InChI=1S/C15H12ClN3O/c16-
    11-4-1-3-10(7-11)8-15(20)
    18-13-5-2-6-14-12(13)9-17
    -19-14/h1-7,9H,8H2,(H,17,
    19)(H,18,20);
    CYQCEAJKJVOFMS-UHFFFAOYSA-N    		 Clc1cccc(c1)CC(=O)Nc1cccc2[NH]ncc12; c1c
    c(cc(c1)Cl)CC(=O)Nc2cccc3c2cn[nH]3; Clc1
    cccc(CC(=O)Nc2cccc3[nH]ncc23)c1    		 2-(3-chlorophenyl)-N-(1H-indazol-4-yl)acetamide
    29695
    NEM    		 0 C7 H11 N3 O2 InChI=1/C7H11N3O2/c1-10-3
    -5(9-4-10)2-6(8)7(11)12/h
    3-4,6H,2,8H2,1H3,(H,11,12
    )/t6-/m0/s1/f/h11H;
    BRMWTNUJHUMWMS-LBISWHJPDF    		 Cn1cc(nc1)CC(C(=O)O)N; Cn1cnc(C[CH](N)C(
    O)=O)c1; Cn1cc(nc1)C[C@@H](C(=O)O)N; Cn1
    cnc(C[C@H](N)C(O)=O)c1; O=C(O)C(N)Cc1ncn
    (c1)C    		 NE2-METHYLATED HISTIDINE
    29696
    NEN
    DB01902
    ZINC000001670837    		 17 C6 H9 N O2 InChI=1S/C6H9NO2/c1-2-7-5
    (8)3-4-6(7)9/h2-4H2,1H3;
    GHAZCVNUKKZTLG-UHFFFAOYSA-N    		 CCN1C(=O)CCC1=O; O=C1N(C(=O)CC1)CC 1-ETHYL-PYRROLIDINE-2,5-DIONE
    29697
    NEO
    DB02385
    ZINC000018169010    		 1 C9 H11 N5 O4 InChI=1S/C9H11N5O4/c10-9-
    13-7-5(8(18)14-9)12-3(1-1
    1-7)6(17)4(16)2-15/h1,4,6
    ,15-17H,2H2,(H3,10,11,13,
    14,18)/t4-,6-/m1/s1;
    BMQYVXCPAOLZOK-INEUFUBQSA-N    		 c1c(nc2c(n1)N=C(NC2=O)N)[C@H]([C@@H](CO)
    O)O; c1c(nc2c(n1)N=C(NC2=O)N)C(C(CO)O)O;
    NC1=Nc2ncc(nc2C(=O)N1)[CH](O)[CH](O)CO;
    NC1=Nc2ncc(nc2C(=O)N1)[C@@H](O)[C@H](O)
    CO; O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)CO    		 NEOPTERIN
    29698
    NEP    		 0 C6 H10 N3 O5 P InChI=1S/C6H10N3O5P/c7-5(
    6(10)11)1-4-2-9(3-8-4)15(
    12,13)14/h2-3,5H,1,7H2,(H
    ,10,11)(H2,12,13,14)/t5-/
    m0/s1;
    MOYPZVWCTBPWEH-YFKPBYRVSA-N    		 O=P(O)(O)n1cc(nc1)CC(C(=O)O)N; N[CH](Cc1
    cn(cn1)[P](O)(O)=O)C(O)=O; c1c(ncn1P(=O)
    (O)O)CC(C(=O)O)N; c1c(ncn1P(=O)(O)O)C[C@
    @H](C(=O)O)N; N[C@@H](Cc1cn(cn1)[P](O)(O
    )=O)C(O)=O    		 N1-PHOSPHONOHISTIDINE
    29699
    NEQ
    CHEMBL8211
    DB02967
    ZINC000000901367    		 11 C6 H7 N O2 InChI=1S/C6H7NO2/c1-2-7-5
    (8)3-4-6(7)9/h3-4H,2H2,1H
    3;
    HDFGOPSGAURCEO-UHFFFAOYSA-N    		 CCN1C(=O)C=CC1=O; O=C1C=CC(=O)N1CC N-ETHYLMALEIMIDE
    29700
    NER
    CHEMBL1173379
    ZINC000006920440    		 0 C24 H46 O2 InChI=1S/C24H46O2/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-17-18-19-20-21-22
    -23-24(25)26/h9-10H,2-8,1
    1-23H2,1H3,(H,25,26)/b10-
    9-;
    GWHCXVQVJPWHRF-KTKRTIGZSA-N    		 CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O; CCCCCC
    CCC=CCCCCCCCCCCCCCC(=O)O; CCCCCCCC\C=C/C
    CCCCCCCCCCCCC(=O)O; CCCCCCCCC=CCCCCCCCCC
    CCCCC(O)=O; O=C(O)CCCCCCCCCCCCC\C=C/CCCC
    CCCC    		 (15E)-TETRACOS-15-ENOIC ACID;
    CIS-15-TETRACOSENOIC ACID
    29701
    NES
    DB02371
    ZINC000001530141    		 7 C6 H15 N O6 S InChI=1S/C6H15NO6S/c8-3-6
    (4-9,5-10)7-1-2-14(11,12)
    13/h7-10H,1-5H2,(H,11,12,
    13);
    JOCBASBOOFNAJA-UHFFFAOYSA-N    		 O=S(=O)(O)CCNC(CO)(CO)CO; C(CS(=O)(=O)O)
    NC(CO)(CO)CO; OCC(CO)(CO)NCC[S](O)(=O)=O    		 2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID
    29702
    NET
    CHEMBL9324
    DB08837
    ZINC000000896981    		 0 C8 H20 N InChI=1S/C8H20N/c1-5-9(6-
    2,7-3)8-4/h5-8H2,1-4H3/q+
    1;
    CBXCPBUEXACCNR-UHFFFAOYSA-N    		 CC[N+](CC)(CC)CC TETRAETHYLAMMONIUM ION
    29703
    NEU
    DB15050
    ZINC000012428336    		 11 C9 H11 N5 O4 InChI=1S/C9H11N5O4/c10-9-
    13-7-5(8(18)14-9)12-3(1-1
    1-7)6(17)4(16)2-15/h1,4,6
    ,15-17H,2H2,(H3,10,11,13,
    14,18)/t4-,6+/m1/s1;
    BMQYVXCPAOLZOK-XINAWCOVSA-N    		 NC1=Nc2ncc(nc2C(=O)N1)[C@H](O)[C@H](O)CO
    ; c1c(nc2c(n1)N=C(NC2=O)N)C(C(CO)O)O; c1
    c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@@H](CO)O
    )O; NC1=Nc2ncc(nc2C(=O)N1)[CH](O)[CH](O)
    CO; O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)CO    		 L-NEOPTERIN;
    2-AMINO-6-((1S,2R)-1,2,3-TRIHYDROXYPROPYL)PTERIDIN-4(3H)-ONE
    29704
    NEV    		 0 C15 H14 N4 O InChI=1/C15H14N4O/c1-9-6-
    8-17-14-12(9)18-15(20)11-
    3-2-7-16-13(11)19(14)10-4
    -5-10/h2-3,6-8,10H,4-5H2,
    1H3,(H,18,20)/f/h18H;
    NQDJXKOVJZTUJA-GPQMBLKYCB    		 Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12; O=C2N
    c1c(ccnc1N(c3ncccc23)C4CC4)C; Cc1ccnc2c1
    NC(=O)c3cccnc3N2C4CC4    		 NEVIRAPINE
    29705
    NEW    		 0 C12 H6 Cl4 O2 InChI=1/C12H6Cl4O2/c13-7-
    1-5(2-8(14)11(7)17)6-3-9(
    15)12(18)10(16)4-6/h1-4,1
    7-18H;
    YCYDXOVJXVALHY-UHFFFAOYAL    		 Clc1cc(cc(Cl)c1O)c2cc(Cl)c(O)c(Cl)c2; c1
    c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl; Oc
    1c(Cl)cc(cc1Cl)c2cc(Cl)c(O)c(Cl)c2    		 3,3',5,5'-TETRACHLOROBIPHENYL-4,4'-DIOL
    29706
    NEX    		 0 C40 H56 O4 InChI=1S/C40H56O4/c1-29(1
    7-13-19-31(3)21-22-35-36(
    5,6)25-33(41)27-38(35,9)4
    3)15-11-12-16-30(2)18-14-
    20-32(4)23-24-40-37(7,8)2
    6-34(42)28-39(40,10)44-40
    /h11-21,23-24,33-34,41-43
    H,25-28H2,1-10H3/b12-11+,
    17-13+,18-14+,24-23+,29-1
    5+,30-16+,31-19+,32-20-/t
    22-,33-,34-,38+,39+,40-/m
    0/s1;
    PGYAYSRVSAJXTE-OQASCVKESA-N    		 CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C)
    O)O)(C)C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)
    (C)C; CC(=CC=CC=C(C)C=CC=C(C)[CH]=[C]=[C
    ]1C(C)(C)C[CH](O)C[C]1(C)O)C=CC=C(C)C=C[
    C]23O[C]2(C)C[CH](O)CC3(C)C; CC(=C/C=C/C
    =C(C)/C=C/C=C(C)/[CH]=[C@@]=[C]1C(C)(C)C
    [C@H](O)C[C@@]1(C)O)\C=C\C=C(C)/C=C/[C@@
    ]23O[C@]2(C)C[C@@H](O)CC3(C)C; OC3CC(\C(
    =C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C
    \C12OC2(C)CC(O)CC1(C)C)C)C)C)C)C(O)(C)C3
    )(C)C; C\C(=C/C=C/C=C(\C)/C=C/C=C(C)C=C=
    C1C(C[C@@H](C[C@@]1(C)O)O)(C)C)\C=C\C=C(
    \C)/C=C/[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C
    )C    		 (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL;
    (3S,5R,6R,3'S,5'R,6'S)-5',6'-EPOXY-6,7-DIDEHYDRO- 5,6,5',6'-TETRAHYDRO-BETA,BETA-CAROTENE-3,5,3'-TRIOL;
    9'-CIS-NEOXANTHIN
    29707
    NEZ
    DB08268
    ZINC000016051686    		 3 C18 H17 N5 O InChI=1S/C18H17N5O/c1-10-
    2-4-11(5-3-10)6-7-12-15-1
    3(17(24)23-18(19)22-15)8-
    14-16(12)21-9-20-14/h2-5,
    8-9H,6-7H2,1H3,(H,20,21)(
    H3,19,22,23,24);
    SPVJRTJUEVXOMS-UHFFFAOYSA-N    		 Cc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]
    cn3; O=C1NC(=Nc3c1cc2c(ncn2)c3CCc4ccc(cc
    4)C)N; Cc1ccc(CCc2c3nc[nH]c3cc4C(=O)NC(=
    Nc24)N)cc1    		 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
    29708
    NF    		 0 C31 H30 N4 O4 InChI=1S/C31H28N4O4/c36-2
    8-22-10-1-6-20-7-2-11-23(
    26(20)22)29(37)34(28)18-1
    6-32-14-5-15-33-17-19-35-
    30(38)24-12-3-8-21-9-4-13
    -25(27(21)24)31(35)39/h1-
    4,6-13,32-33H,5,14-19H2/p
    +2;
    QUNOQBDEVTWCTA-UHFFFAOYSA-P    		 O=C1N(CC[NH2+]CCC[NH2+]CCN2C(=O)c3cccc4c
    ccc(C2=O)c34)C(=O)c5cccc6cccc1c56; O=C3c
    1c2c(ccc1)cccc2C(=O)N3CC[NH2+]CCC[NH2+]C
    CN6C(=O)c5cccc4cccc(c45)C6=O; c1cc2cccc3
    c2c(c1)C(=O)N(C3=O)CC[NH2+]CCC[NH2+]CCN4
    C(=O)c5cccc6c5c(ccc6)C4=O    		 N,N'-(3,7-DIAZANONYLENE)-BIS-NAPHTHALIMIDE;
    LU-79553
    29709
    NF0
    CHEMBL494005
    ZINC000001665979    		 24 C11 H14 O5 InChI=1S/C11H14O5/c1-2-3-
    4-16-11(15)7-5-8(12)10(14
    )9(13)6-7/h5-6,12-14H,2-4
    H2,1H3;
    XOPOEBVTQYAOSV-UHFFFAOYSA-N    		 CCCCOC(=O)c1cc(c(c(c1)O)O)O; CCCCOC(=O)c
    1cc(O)c(O)c(O)c1    		 butyl 3,4,5-tris(oxidanyl)benzoate;
    butyl gallate
    29710
    NF1
    CHEMBL4592668
    ZINC000224698038    		 1 C18 H16 N4 O2 S InChI=1S/C18H16N4O2S/c1-1
    1-20-21-15(25-11)10-19-8-
    9-22-17(23)13-6-2-4-12-5-
    3-7-14(16(12)13)18(22)24/
    h2-7,19H,8-10H2,1H3;
    YHPDOCZSFWEMOD-UHFFFAOYSA-N    		 O=C3c1c2c(ccc1)cccc2C(=O)N3CCNCc4nnc(s4)
    C; Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3c(ccc4)
    C2=O; Cc1sc(CNCCN2C(=O)c3cccc4cccc(C2=O)
    c34)nn1    		 2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
    29711
    NF2
    ZINC000058638767    		 0 C12 H15 F2 O7 P InChI=1S/C12H15F2O7P/c1-5
    -2-6(8(14)3-7(5)13)12-11(
    16)10(15)9(21-12)4-20-22(
    17,18)19/h2-3,9-12,15-16H
    ,4H2,1H3,(H2,17,18,19)/t9
    -,10-,11-,12+/m1/s1;
    DMROPYMHNVLDPZ-KKOKHZNYSA-N    		 Cc1cc([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[C
    H]2O)c(F)cc1F; Cc1cc([C@@H]2O[C@H](CO[P]
    (O)(O)=O)[C@@H](O)[C@H]2O)c(F)cc1F; O=P(
    OCC2OC(c1cc(c(F)cc1F)C)C(O)C2O)(O)O; Cc1
    cc(c(cc1F)F)[C@H]2[C@@H]([C@@H]([C@H](O2
    )COP(=O)(O)O)O)O; Cc1cc(c(cc1F)F)C2C(C(C
    (O2)COP(=O)(O)O)O)O    		 (1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-5-METHYLPHENYL)-5-O-PHOSPHONO-D-RIBITOL
    29712
    NF3
    ZINC000100004911    		 2 C6 H8 O4 InChI=1S/C6H8O4/c1-2-10-6
    (9)4-3-5(7)8/h3-4H,2H2,1H
    3,(H,7,8)/b4-3-;
    XLYMOEINVGRTEX-ARJAWSKDSA-N    		 CCOC(=O)C=CC(O)=O; CCOC(=O)C=CC(=O)O; CC
    OC(=O)/C=C\C(=O)O; CCOC(=O)\C=C/C(O)=O    		 (~{Z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid
    29713
    NF4
    CHEMBL4570309    		 2 C31 H44 N2 O8 S InChI=1S/C31H44N2O8S/c1-4
    -22(5-2)18-33(42(37,38)25
    -13-11-24(12-14-25)21(3)3
    4)19-28(35)27(17-23-9-7-6
    -8-10-23)32-31(36)41-29-2
    0-40-30-26(29)15-16-39-30
    /h6-14,21-22,26-30,34-35H
    ,4-5,15-20H2,1-3H3,(H,32,
    36)/t21-,26-,27-,28+,29-,
    30+/m0/s1;
    QJTBJHOQMPDSSA-ACNJIEPASA-N    		 CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=
    O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=O)
    c4ccc(cc4)[C@H](C)O; C(C)C(CN(CC(C(Cc1cc
    ccc1)NC(OC3COC2C3CCO2)=O)O)S(c4ccc(cc4)C
    (C)O)(=O)=O)CC; CCC(CC)CN(C[CH](O)[CH](C
    c1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S
    ](=O)(=O)c4ccc(cc4)[CH](C)O; CCC(CC)CN(C
    C(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O
    )(=O)c4ccc(cc4)C(C)O; CCC(CC)CN(C[C@H]([
    C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@
    H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
    29714
    NF5
    CHEMBL3355057
    ZINC000213028927    		 6 C17 H17 Br N2 O InChI=1S/C17H17BrN2O/c18-
    15-4-1-13(2-5-15)17(21)20
    -16-6-3-12-7-9-19-10-8-14
    (12)11-16/h1-6,11,19H,7-1
    0H2,(H,20,21);
    YMOUEQZHQYODQT-UHFFFAOYSA-N    		 Brc1ccc(cc1)C(=O)Nc2ccc3CCNCCc3c2; c1cc(
    ccc1C(=O)Nc2ccc3c(c2)CCNCC3)Br; Brc1ccc(
    cc1)C(=O)Nc2cc3c(cc2)CCNCC3    		 4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide
    29715
    NF6
    CHEMBL4544229
    ZINC000224698099    		 1 C20 H21 N5 O2 S InChI=1S/C20H21N5O2S/c1-1
    2-22-23-17(28-12)11-21-9-
    10-25-19(26)14-6-4-5-13-1
    6(24(2)3)8-7-15(18(13)14)
    20(25)27/h4-8,21H,9-11H2,
    1-3H3;
    MZVBLDCRQKXSHR-UHFFFAOYSA-N    		 O=C3c1c2c(c(N(C)C)cc1)cccc2C(=O)N3CCNCc4
    nnc(s4)C; Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3
    c(ccc4N(C)C)C2=O; CN(C)c1ccc2C(=O)N(CCNC
    c3sc(C)nn3)C(=O)c4cccc1c24    		 6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
    29716
    NF7
    CHEMBL4459766    		 4 C29 H40 N2 O9 S InChI=1S/C29H40N2O9S/c1-1
    9(2)15-31(41(36,37)22-10-
    8-21(9-11-22)26(34)17-32)
    16-25(33)24(14-20-6-4-3-5
    -7-20)30-29(35)40-27-18-3
    9-28-23(27)12-13-38-28/h3
    -11,19,23-28,32-34H,12-18
    H2,1-2H3,(H,30,35)/t23-,2
    4-,25+,26-,27-,28+/m0/s1;
    PRPRGSSTKWEYGS-HJCZHRQASA-N    		 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)
    O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=O)c4
    ccc(cc4)[C@@H](O)CO; CC(C)CN(C[CH](O)[CH
    ](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23
    )[S](=O)(=O)c4ccc(cc4)[CH](O)CO; CC(C)CN
    (C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[
    C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C
    @H](CO)O; C(C(Cc1ccccc1)NC(OC2C3C(OC2)OC
    C3)=O)(CN(CC(C)C)S(c4ccc(cc4)C(CO)O)(=O)
    =O)O; CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CO
    C3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(CO)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
    29717
    NF8    		 1 C6 H11 F O4 InChI=1S/C6H11FO4/c7-3-2-
    11-4(1-8)6(10)5(3)9/h3-6,
    8-10H,1-2H2/t3-,4+,5+,6+/
    m0/s1;
    JEWFVWVAXVTBRL-SLPGGIOYSA-N    		 OC[CH]1OC[CH](F)[CH](O)[CH]1O; C1C(C(C(C
    (O1)CO)O)O)F; C1[C@@H]([C@H]([C@@H]([C@H
    ](O1)CO)O)O)F; OC[C@H]1OC[C@H](F)[C@@H](
    O)[C@@H]1O    		 (2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol
    29718
    NF9    		 1 C21 H29 Cl2 N3 O3 InChI=1S/C21H29Cl2N3O3/c2
    2-15-19(27)24-10-5-16-6-1
    1-26(12-7-16)20(28)21(8-1
    3-29-14-9-21)25-18-3-1-17
    (23)2-4-18/h1-4,16,25H,5-
    15H2,(H,24,27);
    CERKFXQSEPXGMS-UHFFFAOYSA-N    		 ClCC(=O)NCCC1CCN(CC1)C(=O)C2(CCOCC2)Nc3c
    cc(Cl)cc3; c1cc(ccc1NC2(CCOCC2)C(=O)N3CC
    C(CC3)CCNC(=O)CCl)Cl    		 2-chloranyl-N-[2-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide
    29719
    NFA
    CHEMBL350320
    DB04029
    ZINC000016051972    		 14 C9 H12 N2 O InChI=1S/C9H12N2O/c10-8(9
    (11)12)6-7-4-2-1-3-5-7/h1
    -5,8H,6,10H2,(H2,11,12)/t
    8-/m0/s1;
    OBSIQMZKFXFYLV-QMMMGPOBSA-N    		 N[CH](Cc1ccccc1)C(N)=O; N[C@@H](Cc1ccccc
    1)C(N)=O; O=C(N)C(N)Cc1ccccc1; c1ccc(cc1
    )CC(C(=O)N)N; c1ccc(cc1)C[C@@H](C(=O)N)N    		 PHENYLALANINE AMIDE
    29720
    NFB    		 0 C3 H2 Fe N Ni O3 InChI=1/CN.2CHO.Fe.Ni.O/c
    3*1-2;;;/h;2*1H;;;/rC3H2F
    eNNiO3/c5-1-4(2-7,3-8)9-6
    /h2-3H;
    FQZPNHHVQDQMNS-YIXQKJCHAH    		 [Ni]O[Fe@](C=O)(C=O)C#N; [Ni]O[Fe](C=O)(
    C=O)C#N; C(=O)[Fe](C=O)(C#N)O[Ni]    		 NI-FE ACTIVE CENTER B-FORM
    29721
    NFC    		 2 C3 H2 Fe N Ni O4 InChI=1S/CN.2CHO.Fe.Ni.O2
    /c3*1-2;;;1-2/h;2*1H;;;;
    CIUCFLVMTAQNSJ-UHFFFAOYSA-N    		 C(=O)[Fe](C=O)(C#N)O(=O)[Ni]; [Ni][O](=O
    )[Fe](C=O)(C=O)C#N; [Ni][O](=O)[Fe@](C=O
    )(C=O)C#N    		 NI-FE ACTIVE CENTER A-FORM
    29722
    NFD    		 1 C21 H26 F N7 O14 P2 InChI=1S/C21H26FN7O14P2/c
    22-21-26-16(23)11-18(27-2
    1)29(7-25-11)20-15(33)13(
    31)10(42-20)6-40-45(37,38
    )43-44(35,36)39-5-9-12(30
    )14(32)19(41-9)28-3-1-2-8
    (4-28)17(24)34/h1-4,7,9-1
    0,12-15,19-20,30-33H,5-6H
    2,(H5-,23,24,26,27,34,35,
    36,37,38)/t9-,10-,12-,13-
    ,14-,15-,19-,20-/m1/s1;
    JDJGJQAJEVFTBI-NAJQWHGHSA-N    		 c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP
    (=O)(O)OCC3C(C(C(O3)n4cnc5c4nc(nc5N)F)O)
    O)O)O)C(=O)N; c1cc(c[n+](c1)[C@H]2[C@@H]
    ([C@@H]([C@H](O2)CO[P@](=O)([O-])O[P@](=
    O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cn
    c5c4nc(nc5N)F)O)O)O)O)C(=O)N; NC(=O)c1cc
    c[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](
    O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c
    (N)nc(F)nc45)[CH](O)[CH]2O; NC(=O)c1ccc[
    n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P]
    (O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n
    4cnc5c(N)nc(F)nc45)[C@@H](O)[C@H]2O    		 Nicotinamide 2-fluoro-adenine dinucleotide;
    2-fluoro-NAD+
    29723
    NFE    		 2 C2 H Fe Ni O3 S2 InChI=1S/2CO.Fe.Ni.H2OS.S
    /c2*1-2;;;1-2;/h;;;;1-2H;
    /q;;+1;;;/p-1;
    BWHVFYQLNHWUMU-UHFFFAOYSA-M    		 C(=O)=[Fe](=C=O)(SO)S[Ni]; OS[Fe](S[Ni])
    (=C=O)=C=O; OS[Fe@](S[Ni])(=C=O)=C=O    		 NI-FE ACTIVE CENTER
    29724
    NFF
    ZINC000095921260    		 6 C21 H24 N2 O5 S InChI=1S/C21H24N2O5S/c1-4
    -28-15-10-9-12-7-5-6-8-13
    (12)16(15)18(25)22-14(11-
    24)19-23-17(20(26)27)21(2
    ,3)29-19/h5-11,14,17,19,2
    3H,4H2,1-3H3,(H,22,25)(H,
    26,27)/t14-,17+,19-/m1/s1;
    XDLYHUOUOKHAMD-DKSSEZFCSA-N    		 CCOc1ccc2ccccc2c1C(=O)NC(C=O)C3NC(C(S3)(
    C)C)C(=O)O; O=C(NC(C=O)C1SC(C(N1)C(=O)O)
    (C)C)c3c2ccccc2ccc3OCC; CCOc1ccc2ccccc2c
    1C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C
    )C(=O)O; CCOc1ccc2ccccc2c1C(=O)N[CH](C=O
    )[CH]3N[CH](C(O)=O)C(C)(C)S3; CCOc1ccc2c
    cccc2c1C(=O)N[C@H](C=O)[C@@H]3N[C@@H](C(
    O)=O)C(C)(C)S3    		 (2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;
    Nafcillin, bound form
    29725
    NFG
    CHEMBL1234696
    DB02658
    ZINC000004475142    		 9 C12 H13 F N2 O9 InChI=1S/C12H13FN2O9/c13-
    9-11(18)10(17)8(4-16)24-1
    2(9)23-7-2-1-5(14(19)20)3
    -6(7)15(21)22/h1-3,8-12,1
    6-18H,4H2/t8-,9-,10-,11-,
    12-/m1/s1;
    UFSBFVZQJZMIOU-LZQZFOIKSA-N    		 [O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1F)CO)c
    ([N+]([O-])=O)c2; c1cc(c(cc1[N+](=O)[O-]
    )[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)F; OC
    [CH]1O[CH](Oc2ccc(cc2[N+]([O-])=O)[N+]([
    O-])=O)[CH](F)[CH](O)[CH]1O; OC[C@H]1O[C
    @@H](Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O
    )[C@H](F)[C@@H](O)[C@@H]1O; c1cc(c(cc1[N
    +](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C
    @H]([C@@H]([C@H](O2)CO)O)O)F    		 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside;
    2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucoside;
    2,4-dinitrophenyl 2-deoxy-2-fluoro-D-glucoside;
    2,4-dinitrophenyl 2-deoxy-2-fluoro-glucoside
    29726
    NFH
    ZINC000012080867    		 2 C15 H29 N3 O4 InChI=1S/C15H29N3O4/c1-10
    (2)7-11(8-18(22)9-19)13(2
    0)17-12(14(21)16-6)15(3,4
    )5/h9-12,22H,7-8H2,1-6H3,
    (H,16,21)(H,17,20)/t11-,1
    2-/m1/s1;
    YRLGSCVOSAUJJE-VXGBXAGGSA-N    		 CC(C)C[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)NC
    )C(C)(C)C; CC(C)CC(CN(C=O)O)C(=O)NC(C(=O
    )NC)C(C)(C)C; O=CN(O)CC(C(=O)NC(C(=O)NC)
    C(C)(C)C)CC(C)C; CNC(=O)[C@@H](NC(=O)[C@
    H](CC(C)C)CN(O)C=O)C(C)(C)C; CNC(=O)[CH]
    (NC(=O)[CH](CC(C)C)CN(O)C=O)C(C)(C)C    		 N~2~-[(2R)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoyl]-N,3-dimethyl-L-valinamide
    29727
    NFI    		 1 C20 H17 N O5 InChI=1S/C20H17NO5/c1-12-
    15-11-14(7-9-17(15)26-19(
    12)20(24)25)21-18(23)10-8
    -16(22)13-5-3-2-4-6-13/h2
    -7,9,11H,8,10H2,1H3,(H,21
    ,23)(H,24,25);
    ZXQOBDSXROLOQK-UHFFFAOYSA-N    		 Cc1c2cc(ccc2oc1C(=O)O)NC(=O)CCC(=O)c3ccc
    cc3; Cc1c(oc2ccc(NC(=O)CCC(=O)c3ccccc3)c
    c12)C(O)=O    		 3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-carboxylic acid
    29728
    NFJ
    CHEMBL4586167    		 2 C31 H44 N2 O8 S InChI=1S/C31H44N2O8S/c1-4
    -22(5-2)18-33(42(37,38)25
    -13-11-24(12-14-25)21(3)3
    4)19-28(35)27(17-23-9-7-6
    -8-10-23)32-31(36)41-29-2
    0-40-30-26(29)15-16-39-30
    /h6-14,21-22,26-30,34-35H
    ,4-5,15-20H2,1-3H3,(H,32,
    36)/t21-,26+,27+,28-,29+,
    30-/m1/s1;
    QJTBJHOQMPDSSA-NORYVHHUSA-N    		 CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=
    O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=O)
    c4ccc(cc4)[C@@H](C)O; C(C)C(CN(CC(C(Cc1c
    cccc1)NC(OC3COC2C3CCO2)=O)O)S(c4ccc(cc4)
    C(C)O)(=O)=O)CC; CCC(CC)CN(C[CH](O)[CH](
    Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[
    S](=O)(=O)c4ccc(cc4)[CH](C)O; CCC(CC)CN(
    C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C
    @@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@
    @H](C)O; CCC(CC)CN(CC(C(Cc1ccccc1)NC(=O)
    OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
    29729
    NFK
    CHEMBL3577708
    ZINC000000901361    		 12 C11 H12 N2 O4 InChI=1S/C11H12N2O4/c12-8
    (11(16)17)5-10(15)7-3-1-2
    -4-9(7)13-6-14/h1-4,6,8H,
    5,12H2,(H,13,14)(H,16,17)
    /t8-/m0/s1;
    BYHJHXPTQMMKCA-QMMMGPOBSA-N    		 c1ccc(c(c1)C(=O)CC(C(=O)O)N)NC=O; c1ccc(
    c(c1)C(=O)C[C@@H](C(=O)O)N)NC=O; O=C(O)C
    (CC(c1ccccc1NC=O)=O)N; N[CH](CC(=O)c1ccc
    cc1NC=O)C(O)=O; N[C@@H](CC(=O)c1ccccc1NC
    =O)C(O)=O    		 N'-Formylkynurenine;
    (2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid
    29730
    NFL
    CHEMBL63323
    DB04552
    ZINC000000125031    		 9 C13 H9 F3 N2 O2 InChI=1S/C13H9F3N2O2/c14-
    13(15,16)8-3-1-4-9(7-8)18
    -11-10(12(19)20)5-2-6-17-
    11/h1-7H,(H,17,18)(H,19,2
    0);
    JZFPYUNJRRFVQU-UHFFFAOYSA-N    		 c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F; O
    C(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F; FC(F)(
    F)c1cc(ccc1)Nc2ncccc2C(=O)O    		 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID;
    2-[(3-TRIFLUOROMETHYL)PHENYL]AMINO-3-PYRIDINE-CARBOXYLIC ACID
    29731
    NFM
    ZINC000032206129    		 2 C7 H10 N4 O InChI=1S/C7H10N4O/c1-5-10
    -3-6(2-9-4-12)7(8)11-5/h3
    -4H,2H2,1H3,(H,9,12)(H2,8
    ,10,11);
    PVWNFAGYFUUDRC-UHFFFAOYSA-N    		 O=CNCc1cnc(nc1N)C; Cc1ncc(c(n1)N)CNC=O;
    Cc1ncc(CNC=O)c(N)n1    		 N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide
    29732
    NFN    		 2 C21 H21 N2 O5 S InChI=1S/C21H22N2O5S/c1-4
    -28-13-10-9-11-7-5-6-8-12
    (11)14(13)17(24)22-15-18(
    25)23-16(20(26)27)21(2,3)
    29-19(15)23/h5-10,15-16,1
    9H,4H2,1-3H3,(H,22,24)(H,
    26,27)/p-1/t15-,16+,19-/m
    1/s1;
    GPXLMGHLHQJAGZ-JTDSTZFVSA-M    		 CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@@H]4N(C3
    =O)[C@H](C(S4)(C)C)C(=O)[O-]; CCOc1ccc2c
    cccc2c1C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O
    )[O-]; O=C([O-])C3N4C(=O)C(NC(=O)c2c1ccc
    cc1ccc2OCC)C4SC3(C)C; CCOc1ccc2ccccc2c1C
    (=O)N[CH]3[CH]4SC(C)(C)[CH](N4C3=O)C([O-
    ])=O; CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@H]
    4SC(C)(C)[C@@H](N4C3=O)C([O-])=O    		 6-[[(2-ETHOXY-1-NAPHTHALENYL)CARBONYL]AMINO]-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE
    29733
    NFO    		 2 C3 H2 Fe N Ni O3 InChI=1S/CN.2CHO.Fe.Ni.O/
    c3*1-2;;;/h;2*1H;;;;
    FQZPNHHVQDQMNS-UHFFFAOYSA-N    		 [Ni]O[Fe@](C=O)(C=O)C#N; [Ni]O[Fe](C=O)(
    C=O)C#N; C(=O)[Fe](C=O)(C#N)O[Ni]    		 NI-FE OXIDIZED ACTIVE CENTER
    29734
    NFP
    DB02869    		 0 C17 H19 N O2 S InChI=1S/C17H19NO2S/c18-1
    6(12-11-15-7-3-1-4-8-15)1
    3-14-21(19,20)17-9-5-2-6-
    10-17/h1-10,13-14,16H,11-
    12,18H2/t16-/m0/s1;
    ZPXIQFOUPUVVPU-INIZCTEOSA-N    		 N[CH](CCc1ccccc1)C=C[S](=O)(=O)c2ccccc2;
    c1ccc(cc1)CC[C@@H](/C=C/S(=O)(=O)c2cccc
    c2)N; N[C@@H](CCc1ccccc1)/C=C/[S](=O)(=O
    )c2ccccc2; O=S(=O)(/C=C/C(N)CCc1ccccc1)c
    2ccccc2; c1ccc(cc1)CCC(C=CS(=O)(=O)c2ccc
    cc2)N    		 (1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine
    29735
    NFQ    		 10 C5 H8 N2 O4 InChI=1S/C5H8N2O4/c6-2-7-
    3(5(10)11)1-4(8)9/h2-3H,1
    H2,(H2,6,7)(H,8,9)(H,10,1
    1)/t3-/m0/s1;
    XTPIFIMCFHNJOH-VKHMYHEASA-N    		 [H]/N=C/N[C@@H](CC(=O)O)C(=O)O; OC(=O)C[
    CH](NC=N)C(O)=O; OC(=O)C[C@H](NC=N)C(O)=
    O; O=C(O)C(NC=[N@H])CC(=O)O; C(C(C(=O)O)
    NC=N)C(=O)O    		 N-[(E)-iminomethyl]-L-aspartic acid;
    N-formimino-L-Aspartate
    29736
    NFR    		 1 C3 H2 Fe N Ni O2 InChI=1S/CN.2CHO.Fe.Ni/c3
    *1-2;;/h;2*1H;;;
    WWDMWDTTWHCODG-UHFFFAOYSA-N    		 N#C[Fe]([Ni])(C=O)C=O; C(=O)[Fe](C=O)(C#
    N)[Ni]; [Ni]|[Fe](C=O)(C=O)C#N    		 NI-FE REDUCED ACTIVE CENTER
    29737
    NFS    		 9 Fe4 Ni S5 InChI=1S/4Fe.Ni.5S;
    DHBVHUGSWMHFLY-UHFFFAOYSA-N    		 S1[Fe][S]2[Fe]3[S]4[Fe]2[S]5[Fe]4[S]3[Ni
    ]51; [Ni]S[Fe]S[Fe]1S[Fe]S[Fe]S1; S1[Fe]
    [S]2[Fe]3[S@@]4[Ni]1[S@]5[Fe]4[S]3[Fe]52    		 FE(4)-NI(1)-S(5) CLUSTER
    29738
    NFT
    DB08270
    ZINC000016051593    		 1 C22 H29 F3 N4 O3 S InChI=1S/C22H29F3N4O3S/c1
    -14(2)13-19(21(30)28-12-1
    1-26)29-20(22(23,24)25)17
    -5-3-15(4-6-17)16-7-9-18(
    10-8-16)33(27,31)32/h3-10
    ,14,19-20,29H,11-13,26H2,
    1-2H3,(H,28,30)(H2,27,31,
    32)/t19-,20-/m0/s1;
    QPXXBNKMAHUXBB-PMACEKPBSA-N    		 CC(C)C[CH](N[CH](c1ccc(cc1)c2ccc(cc2)[S]
    (N)(=O)=O)C(F)(F)F)C(=O)NCCN; CC(C)C[C@H
    ](N[C@@H](c1ccc(cc1)c2ccc(cc2)[S](N)(=O)
    =O)C(F)(F)F)C(=O)NCCN; CC(C)C[C@@H](C(=O
    )NCCN)N[C@@H](c1ccc(cc1)c2ccc(cc2)S(=O)(
    =O)N)C(F)(F)F; O=S(=O)(N)c2ccc(c1ccc(cc1
    )C(NC(C(=O)NCCN)CC(C)C)C(F)(F)F)cc2; CC(
    C)CC(C(=O)NCCN)NC(c1ccc(cc1)c2ccc(cc2)S(
    =O)(=O)N)C(F)(F)F    		 N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-TRIFLUOROETHYL}-L-LEUCINAMIDE
    29739
    NFU    		 35 C3 H Fe N2 Ni O InChI=1S/2CN.CHO.Fe.Ni/c3
    *1-2;;/h;;1H;;;
    QCZROEOIPZWDEO-UHFFFAOYSA-N    		 [Ni]|[Fe](C=O)(C#N)C#N; N#C[Fe]([Ni])(C#
    N)C=O; C(=O)[Fe](C#N)(C#N)[Ni]    		 formyl[bis(hydrocyanato-1kappaC)]ironnickel(Fe-Ni);
    NI-FE REDUCED ACTIVE CENTER
    29740
    NFV    		 24 C3 Fe N2 Ni O2 InChI=1S/2CN.CO.Fe.Ni.O/c
    3*1-2;;;;
    MPQMGFDSXFFIQL-UHFFFAOYSA-N    		 C(#N)[Fe](C#N)(C#O)O[Ni]; [Ni]O[Fe](|[C-
    ]#[O+])(C#N)C#N    		 NI-FE OXIDIZED ACTIVE CENTER
    29741
    NFW
    ZINC000098209220    		 4 C27 H28 N2 O8 InChI=1S/C27H28N2O8/c1-29
    (14-17-5-2-3-7-21(17)26(3
    2)28-13-19-6-4-12-35-19)1
    5-18-8-10-22-25(24(18)27(
    33)34)36-16-20(37-22)9-11
    -23(30)31/h2-8,10,12,20H,
    9,11,13-16H2,1H3,(H,28,32
    )(H,30,31)(H,33,34)/t20-/
    m0/s1;
    AXAHDWKRRRPCME-FQEVSTJZSA-N    		 CN(Cc1ccccc1C(=O)NCc2ccco2)Cc3ccc4c(c3C(
    =O)O)OC[C@@H](O4)CCC(=O)O; CN(Cc1ccccc1C
    (=O)NCc2occc2)Cc3ccc4O[CH](CCC(O)=O)COc4
    c3C(O)=O; CN(Cc1ccccc1C(=O)NCc2ccco2)Cc3
    ccc4c(c3C(=O)O)OCC(O4)CCC(=O)O; O=C(NCc1
    occc1)c2ccccc2CN(Cc4ccc3OC(CCC(=O)O)COc3
    c4C(=O)O)C; CN(Cc1ccccc1C(=O)NCc2occc2)C
    c3ccc4O[C@@H](CCC(O)=O)COc4c3C(O)=O    		 (2S)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
    29742
    NFX
    CHEMBL113334
    ZINC000001278767    		 1 C17 H17 Cl F N3 O3 InChI=1S/C17H17ClFN3O3/c1
    8-13-14-10(5-12(19)15(13)
    21-4-3-8(20)6-21)16(23)11
    (17(24)25)7-22(14)9-1-2-9
    /h5,7-9H,1-4,6,20H2,(H,24
    ,25)/t8-/m1/s1;
    QGPKADBNRMWEQR-MRVPVSSYSA-N    		 N[C@@H]1CCN(C1)c2c(F)cc3C(=O)C(=CN(C4CC4
    )c3c2Cl)C(O)=O; c1c2c(c(c(c1F)N3CCC(C3)N
    )Cl)N(C=C(C2=O)C(=O)O)C4CC4; Fc2c(c(Cl)c
    1N(C=C(C(=O)O)C(=O)c1c2)C3CC3)N4CCC(N)C4
    ; N[CH]1CCN(C1)c2c(F)cc3C(=O)C(=CN(C4CC4
    )c3c2Cl)C(O)=O; c1c2c(c(c(c1F)N3CC[C@H](
    C3)N)Cl)N(C=C(C2=O)C(=O)O)C4CC4    		 7-[(3R)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;
    Clinafloxacin
    29743
    NFZ
    CHEMBL869
    DB00336
    ZINC000000897369    		 11 C6 H6 N4 O4 InChI=1S/C6H6N4O4/c7-6(11
    )9-8-3-4-1-2-5(14-4)10(12
    )13/h1-3H,(H3,7,9,11)/b8-
    3+;
    IAIWVQXQOWNYOU-FPYGCLRLSA-N    		 NC(=O)N\N=C\c1oc(cc1)[N+]([O-])=O; c1cc(
    oc1C=NNC(=O)N)[N+](=O)[O-]; c1cc(oc1\C=N
    \NC(=O)N)[N+](=O)[O-]; NC(=O)NN=Cc1oc(cc
    1)[N+]([O-])=O; O=[N+]([O-])c1oc(/C=N/NC
    (=O)N)cc1    		 NITROFURAZONE;
    5-NITRO-2-FURALDEHYDE SEMICARBAZONE
    29744
    NG0
    CHEMBL270190
    DB06274
    ZINC000003802417    		 1 C25 H32 N2 O4 InChI=1S/C25H32N2O4/c1-18
    -16-27(12-11-25(18,2)21-9
    -6-10-22(28)14-21)17-20(2
    4(31)26-15-23(29)30)13-19
    -7-4-3-5-8-19/h3-10,14,18
    ,20,28H,11-13,15-17H2,1-2
    H3,(H,26,31)(H,29,30)/t18
    -,20-,25+/m0/s1;
    UPNUIXSCZBYVBB-JVFUWBCBSA-N    		 C[C@H]1CN(CC[C@@]1(C)c2cccc(O)c2)C[C@H](
    Cc3ccccc3)C(=O)NCC(O)=O; O=C(O)CNC(=O)C(
    Cc1ccccc1)CN1CCC(C)(C(C)C1)c1cccc(O)c1;
    C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](
    Cc3ccccc3)C(=O)NCC(=O)O; C[CH]1CN(CC[C]1
    (C)c2cccc(O)c2)C[CH](Cc3ccccc3)C(=O)NCC(
    O)=O; CC1CN(CCC1(C)c2cccc(c2)O)CC(Cc3ccc
    cc3)C(=O)NCC(=O)O    		 N-[(2S)-2-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl}-3-phenylpropanoyl]glycine;
    Alvimopan
    29745
    NG1
    ZINC000006186566    		 3 C8 H16 N O9 P InChI=1S/C8H16NO9P/c1-3(1
    1)9-5-7(13)6(12)4(2-10)17
    -8(5)18-19(14,15)16/h4-8,
    10,12-13H,2H2,1H3,(H,9,11
    )(H2,14,15,16)/t4-,5-,6+,
    7-,8-/m1/s1;
    FZLJPEPAYPUMMR-JAJWTYFOSA-N    		 O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)O; CC(
    =O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P
    ](O)(O)=O; CC(=O)NC1C(C(C(OC1OP(=O)(O)O)
    CO)O)O; CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)
    [C@@H](CO)O[C@@H]1O[P](O)(O)=O; CC(=O)N[
    C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O
    )O)CO)O)O    		 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-galactopyranose;
    N-ACETYL-ALPHA-D-GALACTOSAMINE 1-PHOSPHATE;
    N-acetyl-1-O-phosphono-alpha-D-galactosamine;
    2-acetamido-2-deoxy-1-O-phosphono-alpha-D-galactose;
    2-acetamido-2-deoxy-1-O-phosphono-D-galactose;
    2-acetamido-2-deoxy-1-O-phosphono-galactose
    29746
    NG2
    CHEMBL4125960
    ZINC000098209221    		 1 C29 H30 F3 N5 O2 InChI=1S/C29H30F3N5O2/c1-
    3-36-12-14-37(15-13-36)18
    -21-6-7-22(17-24(21)29(30
    ,31)32)35-28(38)20-5-4-19
    (2)26(16-20)39-25-9-11-34
    -27-23(25)8-10-33-27/h4-1
    1,16-17H,3,12-15,18H2,1-2
    H3,(H,33,34)(H,35,38);
    SMPGEBOIKULBCT-UHFFFAOYSA-N    		 FC(F)(F)c4cc(NC(=O)c3ccc(c(Oc2ccnc1nccc1
    2)c3)C)ccc4CN5CCN(CC)CC5; CCN1CCN(CC1)Cc
    2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc4ccn
    c5c4cc[nH]5)C; CCN1CCN(CC1)Cc2ccc(NC(=O)
    c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F
    )F    		 N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)benzamide
    29747
    NG3    		 1 C10 H17 N6 O12 P3 InChI=1S/C10H17N6O12P3/c1
    1-4-1-6(16-3-13-7-8(16)14
    -10(12)15-9(7)17)26-5(4)2
    -25-30(21,22)28-31(23,24)
    27-29(18,19)20/h3-6H,1-2,
    11H2,(H,21,22)(H,23,24)(H
    2,18,19,20)(H3,12,14,15,1
    7)/t4-,5+,6+/m0/s1;
    ILTYANYMUGEMNF-KVQBGUIXSA-N    		 c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP
    (=O)(O)O)N)NC(=NC2=O)N; C=2(N)Nc1n(cnc1C
    (N=2)=O)C3CC(N)C(COP(O)(=O)OP(O)(=O)OP(O
    )(O)=O)O3; c1nc2c(n1[C@H]3C[C@@H]([C@H](
    O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N)NC(=N
    C2=O)N; N[CH]1C[CH](O[CH]1CO[P](O)(=O)O[
    P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)N=C(N)N
    c23; N[C@H]1C[C@@H](O[C@@H]1CO[P](O)(=O)
    O[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)N=C(N
    )Nc23    		 3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate);
    3'-amino-dGTP
    29748
    NG4
    CHEMBL4448856    		 2 C29 H40 N2 O9 S InChI=1S/C29H40N2O9S/c1-1
    9(2)15-31(41(36,37)22-10-
    8-21(9-11-22)26(34)17-32)
    16-25(33)24(14-20-6-4-3-5
    -7-20)30-29(35)40-27-18-3
    9-28-23(27)12-13-38-28/h3
    -11,19,23-28,32-34H,12-18
    H2,1-2H3,(H,30,35)/t23-,2
    4-,25+,26+,27-,28+/m0/s1;
    PRPRGSSTKWEYGS-WBKISLEQSA-N    		 CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C
    @H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc
    (cc4)[C@@H](CO)O; CC(C)CN(C[CH](O)[CH](C
    c1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S
    ](=O)(=O)c4ccc(cc4)[CH](O)CO; CC(CN(CC(C
    (Cc1ccccc1)NC(OC3COC2C3CCO2)=O)O)S(c4ccc
    (cc4)C(CO)O)(=O)=O)C; CC(C)CN(CC(C(Cc1cc
    ccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4cc
    c(cc4)C(CO)O; CC(C)CN(C[C@@H](O)[C@H](Cc
    1ccccc1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23
    )[S](=O)(=O)c4ccc(cc4)[C@H](O)CO    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
    29749
    NG5
    CHEMBL4643964    		 2 C28 H24 F N7 O2 InChI=1S/C28H24FN7O2/c1-2
    -38-19-9-10-23(32-16-19)2
    7-35-34-26(36(27)24-8-4-3
    -6-21(24)29)17-14-18(15-1
    7)33-28(37)20-11-13-30-22
    -7-5-12-31-25(20)22/h3-13
    ,16-18H,2,14-15H2,1H3,(H,
    33,37)/t17-,18-;
    VQDCXZLOFBIDTL-IYARVYRRSA-N    		 CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)N
    C(=O)c5ccnc6c5nccc6; CCOc1ccc(nc1)c2nnc(
    [CH]3C[CH](C3)NC(=O)c4ccnc5cccnc45)n2c6c
    cccc6F; CCOc1ccc(nc1)c2nnc([C@H]3C[C@@H]
    (C3)NC(=O)c4ccnc5cccnc45)n2c6ccccc6F    		 ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
    29750
    NG6
    DB02186
    ZINC000004096360    		 10 C8 H15 N O9 S InChI=1S/C8H15NO9S/c1-3(1
    0)9-5-7(12)6(11)4(18-8(5)
    13)2-17-19(14,15)16/h4-8,
    11-13H,2H2,1H3,(H,9,10)(H
    ,14,15,16)/t4-,5-,6+,7-,8
    -/m1/s1;
    WJFVEEAIYIOATH-JAJWTYFOSA-N    		 O=S(=O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O; CC
    (=O)NC1C(C(C(OC1O)COS(=O)(=O)O)O)O; CC(=
    O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS
    (=O)(=O)O)O)O; CC(=O)N[CH]1[CH](O)O[CH](
    CO[S](O)(=O)=O)[CH](O)[CH]1O; CC(=O)N[C@
    H]1[C@H](O)O[C@H](CO[S](O)(=O)=O)[C@H](O
    )[C@@H]1O    		 2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranose;
    N-ACETYL-D-GALACTOSAMINE 6-SULFATE;
    N-acetyl-6-O-sulfo-beta-D-galactosamine;
    2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactose;
    2-acetamido-2-deoxy-6-O-sulfo-D-galactose;
    2-acetamido-2-deoxy-6-O-sulfo-galactose
    29751
    NG7
    CHEMBL2148124    		 2 C31 H31 F3 N6 O2 S InChI=1S/C31H31F3N6O2S/c1
    -2-39-12-14-40(15-13-39)1
    8-22-8-9-23(17-24(22)31(3
    2,33)34)35-28(42)21-5-3-4
    -20(16-21)25-10-11-26-29(
    36-25)43-30(37-26)38-27(4
    1)19-6-7-19/h3-5,8-11,16-
    17,19H,2,6-7,12-15,18H2,1
    H3,(H,35,42)(H,37,38,41);
    VTWWRKFUHCSCEW-UHFFFAOYSA-N    		 FC(F)(F)c1cc(ccc1CN2CCN(CC)CC2)NC(=O)c6c
    c(c3nc4sc(nc4cc3)NC(=O)C5CC5)ccc6; CCN1C
    CN(CC1)Cc2ccc(NC(=O)c3cccc(c3)c4ccc5nc(N
    C(=O)C6CC6)sc5n4)cc2C(F)(F)F; CCN1CCN(CC
    1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3cccc(c3)c4c
    cc5c(n4)sc(n5)NC(=O)C6CC6    		 3-{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromet hyl)phenyl}benzamide;
    HG-7-85-01
    29752
    NG8    		 1 C16 H21 B F2 N3 O InChI=1S/C16H21BF2N3O/c1-
    4-20-16(23)8-7-13-5-6-14-
    10-15-11(2)9-12(3)21(15)1
    7(18,19)22(13)14/h5-6,9H,
    4,7-8,10H2,1-3H3,(H,20,23
    )/q-1;
    QWVZNTQOZDNYPL-UHFFFAOYSA-N    		 CCNC(=O)CCc1ccc2Cc3n(c(C)cc3C)[B-](F)(F)
    n12; [B-]1(n2c(cc(c2Cc3n1c(cc3)CCC(=O)NC
    C)C)C)(F)F    		 3-[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]-~{N}-ethyl-propanamide
    29753
    NG9    		 1 C24 H35 Cl2 N3 O3 InChI=1S/C24H35Cl2N3O3/c1
    -22(2)15-24(16-23(3,4)32-
    22,28-19-7-5-18(26)6-8-19
    )21(31)29-11-9-17(10-12-2
    9)14-27-20(30)13-25/h5-8,
    17,28H,9-16H2,1-4H3,(H,27
    ,30);
    OGBRCEYKNZIXFY-UHFFFAOYSA-N    		 CC1(C)CC(CC(C)(C)O1)(Nc2ccc(Cl)cc2)C(=O)
    N3CCC(CC3)CNC(=O)CCl; CC1(CC(CC(O1)(C)C)
    (C(=O)N2CCC(CC2)CNC(=O)CCl)Nc3ccc(cc3)Cl
    )C    		 2-chloranyl-N-[[1-[4-[(4-chlorophenyl)amino]-2,2,6,6-tetramethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide
    29754
    NGA
    CHEMBL39064
    ZINC000003861733    		 22 C8 H15 N O6 InChI=1S/C8H15NO6/c1-3(11
    )9-5-7(13)6(12)4(2-10)15-
    8(5)14/h4-8,10,12-14H,2H2
    ,1H3,(H,9,11)/t4-,5-,6+,7
    -,8-/m1/s1;
    OVRNDRQMDRJTHS-JAJWTYFOSA-N    		 CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1
    O; CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](
    O)[C@@H]1O; O=C(NC1C(O)C(O)C(OC1O)CO)C;
    CC(=O)NC1C(C(C(OC1O)CO)O)O; CC(=O)N[C@@H
    ]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O    		 2-acetamido-2-deoxy-beta-D-galactopyranose;
    N-acetyl-beta-D-galactosamine;
    2-acetamido-2-deoxy-beta-D-galactose;
    2-acetamido-2-deoxy-D-galactose;
    2-acetamido-2-deoxy-galactose;
    N-ACETYL-D-GALACTOSAMINE
    29755
    NGB
    ZINC000098209222    		 1 C18 H25 N O13 InChI=1S/C18H25NO13/c20-5
    -9-11(21)13(23)15(25)17(3
    1-9)29-6-10-12(22)14(24)1
    6(26)18(32-10)30-8-3-1-7(
    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;
    ISCYUJSLZREARS-NNUBVHJDSA-N    		 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H
    ]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([
    C@@H]([C@H](O3)CO)O)O)O)O)O)O; OC[C@H]1O
    [C@@H](OC[C@H]2O[C@@H](Oc3ccc(cc3)[N+]([
    O-])=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O
    )[C@@H](O)[C@@H]1O; c1cc(ccc1[N+](=O)[O-
    ])OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)
    O)O)O; OC[CH]1O[CH](OC[CH]2O[CH](Oc3ccc(
    cc3)[N+]([O-])=O)[CH](O)[CH](O)[CH]2O)[C
    H](O)[CH](O)[CH]1O; [O-][N+](=O)c3ccc(OC
    1OC(C(O)C(O)C1O)COC2OC(CO)C(O)C(O)C2O)cc
    3    		 4-nitrophenyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside;
    P-NITROPHENYL-GENTIOBIOSIDE
    29756
    NGC
    ZINC000004096098    		 31 C11 H19 N O10 InChI=1S/C11H19NO10/c13-2
    -5(16)8(18)9-7(12-6(17)3-
    14)4(15)1-11(21,22-9)10(1
    9)20/h4-5,7-9,13-16,18,21
    H,1-3H2,(H,12,17)(H,19,20
    )/t4-,5+,7+,8+,9+,11+/m0/
    s1;
    FDJKUWYYUZCUJX-VTERZIIISA-N    		 OC[C@@H](O)[C@@H](O)[C@@H]1O[C@](O)(C[C@
    H](O)[C@H]1NC(=O)CO)C(O)=O; C1[C@@H]([C@
    H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](
    CO)O)O)NC(=O)CO)O; C1C(C(C(OC1(C(=O)O)O)
    C(C(CO)O)O)NC(=O)CO)O; OC[CH](O)[CH](O)[
    CH]1O[C](O)(C[CH](O)[CH]1NC(=O)CO)C(O)=O
    ; O=C(O)C1(O)OC(C(NC(=O)CO)C(O)C1)C(O)C(
    O)CO    		 N-glycolyl-alpha-neuraminic acid;
    N-glycolylneuraminic acid;
    sialic acid;
    3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
    29757
    NGD
    ZINC000058651003    		 4 C21 H28 N7 O15 P2 InChI=1S/C21H27N7O15P2/c2
    2-16(33)8-2-1-3-27(4-8)19
    -14(31)12(29)9(41-19)5-39
    -44(35,36)43-45(37,38)40-
    6-10-13(30)15(32)20(42-10
    )28-7-24-11-17(28)25-21(2
    3)26-18(11)34/h1-4,7,9-10
    ,12-15,19-20,29-32H,5-6H2
    ,(H6-,22,23,25,26,33,34,3
    5,36,37,38)/p+1/t9-,10-,1
    2-,13-,14-,15-,19-,20-/m1
    /s1;
    NCFRZZVNRVEQJK-NAJQWHGHSA-O    		 NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P@@]
    (O)(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](
    O)[C@@H]3O)n4cnc5C(=O)NC(=Nc45)N)[C@@H](
    O)[C@H]2O; c1cc(c[n+](c1)C2C(C(C(O2)COP(
    =O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4N=C(
    NC5=O)N)O)O)O)O)C(=O)N; NC(=O)c1ccc[n+](
    c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[
    CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=O)NC(=N
    c45)N)[CH](O)[CH]2O; c1cc(c[n+](c1)[C@H]
    2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P
    @@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3
    )n4cnc5c4N=C(NC5=O)N)O)O)O)O)C(=O)N    		 3-(AMINOCARBONYL)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYD ROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2- YL]PYRIDINIUM;
    NICOTINAMIDE GUANINE DINUCLEOTIDE
    29758
    NGE
    CHEMBL496421
    ZINC000004096097    		 6 C11 H19 N O10 InChI=1S/C11H19NO10/c13-2
    -5(16)8(18)9-7(12-6(17)3-
    14)4(15)1-11(21,22-9)10(1
    9)20/h4-5,7-9,13-16,18,21
    H,1-3H2,(H,12,17)(H,19,20
    )/t4-,5+,7+,8+,9+,11-/m0/
    s1;
    FDJKUWYYUZCUJX-AJKRCSPLSA-N    		 C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[
    C@@H]([C@@H](CO)O)O)NC(=O)CO)O; OC[C@@H]
    (O)[C@@H](O)[C@@H]1O[C@@](O)(C[C@H](O)[C
    @H]1NC(=O)CO)C(O)=O; C1C(C(C(OC1(C(=O)O)
    O)C(C(CO)O)O)NC(=O)CO)O; OC[CH](O)[CH](O
    )[CH]1O[C](O)(C[CH](O)[CH]1NC(=O)CO)C(O)
    =O; O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)CO)
    C(O)C1    		 N-glycolyl-beta-neuraminic acid;
    N-glycolylneuraminic acid;
    sialic acid
    29759
    NGF
    ZINC000095920519    		 2 C11 H19 N O10 InChI=1S/C11H19NO10/c13-2
    -6(17)9(19)10(20)8(12-7(1
    8)3-14)4(15)1-5(16)11(21)
    22/h4,6,8-10,13-15,17,19-
    20H,1-3H2,(H,12,18)(H,21,
    22)/t4-,6+,8+,9+,10+/m0/s
    1;
    SUHQNCLNRUAGOO-KQCZLNONSA-N    		 C([C@@H]([C@H]([C@H]([C@@H]([C@@H](CO)O)
    O)O)NC(=O)CO)O)C(=O)C(=O)O; OC[C@@H](O)[
    C@@H](O)[C@H](O)[C@H](NC(=O)CO)[C@@H](O)
    CC(=O)C(O)=O; OC[CH](O)[CH](O)[CH](O)[CH
    ](NC(=O)CO)[CH](O)CC(=O)C(O)=O; C(C(C(C(
    C(C(CO)O)O)O)NC(=O)CO)O)C(=O)C(=O)O; O=C
    (O)C(=O)CC(O)C(NC(=O)CO)C(O)C(O)C(O)CO    		 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-D-galacto-non-2-ulosonic acid;
    N-glycolylneuraminic acid, ketone form
    29760
    NGH
    CHEMBL311932
    DB08271
    ZINC000003818629    		 12 C13 H20 N2 O5 S InChI=1S/C13H20N2O5S/c1-1
    0(2)8-15(9-13(16)14-17)21
    (18,19)12-6-4-11(20-3)5-7
    -12/h4-7,10,17H,8-9H2,1-3
    H3,(H,14,16);
    JIRXORZYIXSWOB-UHFFFAOYSA-N    		 CC(C)C[N@](CC(=O)NO)S(=O)(=O)c1ccc(cc1)O
    C; COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)CC(=O
    )NO; O=C(NO)CN(S(=O)(=O)c1ccc(OC)cc1)CC(
    C)C; CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(cc1
    )OC    		 N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID
    29761
    NGI
    CHEMBL331372
    ZINC000003918045    		 3 C23 H29 N7 O6 InChI=1S/C23H29N7O6/c1-2-
    25-21(35)18-16(33)17(34)2
    2(36-18)30-11-27-15-19(24
    )28-23(29-20(15)30)26-10-
    9-13-5-3-12(4-6-13)7-8-14
    (31)32/h3-6,11,16-18,22,3
    3-34H,2,7-10H2,1H3,(H,25,
    35)(H,31,32)(H3,24,26,28,
    29)/t16-,17+,18-,22+/m0/s
    1;
    PAOANWZGLPPROA-RQXXJAGISA-N    		 CCNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c
    (N)nc(NCCc4ccc(CCC(O)=O)cc4)nc23; CCNC(=
    O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2n
    c(nc3N)NCCc4ccc(cc4)CCC(=O)O)O)O; CCNC(=
    O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(
    N)nc(NCCc4ccc(CCC(O)=O)cc4)nc23; CCNC(=O
    )C1C(C(C(O1)n2cnc3c2nc(nc3N)NCCc4ccc(cc4
    )CCC(=O)O)O)O    		 2-[P-(2-CARBOXYETHYL)PHENYLETHYL-AMINO]-5'-N-ETHYLCARBOXAMIDO ADENOSINE
    29762
    NGJ
    CHEMBL2414051    		 2 C11 H12 N2 O InChI=1S/C11H12N2O/c1-2-7
    -6-9-8(11(14)13-7)4-3-5-1
    0(9)12/h3-6H,2,12H2,1H3,(
    H,13,14);
    RCAAJXYONDUGJS-UHFFFAOYSA-N    		 O=C1c2cccc(c2C=C(N1)CC)N; CCC1=Cc2c(N)cc
    cc2C(=O)N1; CCC1=Cc2c(cccc2N)C(=O)N1    		 5-amino-3-ethylisoquinolin-1(2H)-one
    29763
    NGK
    DB04492
    ZINC000030160238    		 3 C8 H15 N O9 S InChI=1S/C8H15NO9S/c1-3(1
    1)9-5-6(12)7(18-19(14,15)
    16)4(2-10)17-8(5)13/h4-8,
    10,12-13H,2H2,1H3,(H,9,11
    )(H,14,15,16)/t4-,5-,6-,7
    +,8+/m1/s1;
    WHCJUIFHMJFEFZ-YQXRAVKXSA-N    		 CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O[
    S](O)(=O)=O)[C@@H]1O; O=S(=O)(O)OC1C(OC(
    O)C(NC(=O)C)C1O)CO; CC(=O)N[CH]1[CH](O)O
    [CH](CO)[CH](O[S](O)(=O)=O)[CH]1O; CC(=O
    )NC1C(C(C(OC1O)CO)OS(=O)(=O)O)O; CC(=O)N
    [C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)OS
    (=O)(=O)O)O    		 2-acetamido-2-deoxy-4-O-sulfo-alpha-D-galactopyranose;
    2-(ACETYLAMINO)-2-DEOXY-4-O-SULFO-ALPHA-D-GALACTOPYRANOSE;
    N-acetyl-4-O-sulfo-alpha-D-galactosamine;
    2-acetamido-2-deoxy-4-O-sulfo-alpha-D-galactose;
    2-acetamido-2-deoxy-4-O-sulfo-D-galactose;
    2-acetamido-2-deoxy-4-O-sulfo-galactose
    29764
    NGL    		 0 C8 H15 N O9 S InChI=1/C8H15NO9S/c1-3(11
    )9-5-6(12)7(18-19(14,15)1
    6)4(2-10)17-8(5)13/h4-8,1
    0,12-13H,2H2,1H3,(H,9,11)
    (H,14,15,16)/t4-,5-,6-,7+
    ,8-/m1/s1/f/h9,14H;
    WHCJUIFHMJFEFZ-QUMDZLEQDD    		 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O
    )CO)OS(=O)(=O)O)O; O=S(=O)(O)OC1C(OC(O)C
    (NC(=O)C)C1O)CO; CC(=O)N[CH]1[CH](O)O[CH
    ](CO)[CH](O[S](O)(=O)=O)[CH]1O; CC(=O)N[
    C@H]1[C@H](O)O[C@H](CO)[C@H](O[S](O)(=O)
    =O)[C@@H]1O; CC(=O)NC1C(C(C(OC1O)CO)OS(=
    O)(=O)O)O    		 ACETYLGALACTOSAMINE-4-SULFATE
    29765
    NGM
    CHEMBL504459
    ZINC000085540240    		 0 C39 H49 N O16 InChI=1S/C39H49NO16/c1-14
    -32(49-7)39(4,52-10)33(50
    -8)36(53-14)54-19-13-37(2
    ,48)24(34(47)51-9)15-11-1
    6-21(27(43)20(15)19)28(44
    )22-18(41)12-17-30(23(22)
    26(16)42)55-35-29(45)25(4
    0(5)6)31(46)38(17,3)56-35
    /h11-12,14,19,24-25,29,31
    -33,35-36,41,43,45-46,48H
    ,13H2,1-10H3/t14-,19-,24-
    ,25-,29-,31+,32-,33-,35+,
    36-,37-,38+,39+/m0/s1;
    KGTDRFCXGRULNK-JYOBTZKQSA-N    		 CO[C@H]1[C@H](C)O[C@@H](O[C@H]2C[C@](C)(
    O)[C@H](C(=O)OC)c3cc4C(=O)c5c6O[C@@H]7O[
    C@@](C)([C@H](O)[C@H]([C@@H]7O)N(C)C)c6c
    c(O)c5C(=O)c4c(O)c23)[C@H](OC)[C@]1(C)OC
    ; CO[CH]1[CH](C)O[CH](O[CH]2C[C](C)(O)[C
    H](C(=O)OC)c3cc4C(=O)c5c6O[CH]7O[C](C)([
    CH](O)[CH]([CH]7O)N(C)C)c6cc(O)c5C(=O)c4
    c(O)c23)[CH](OC)[C]1(C)OC; O=C(OC)C7c4c(
    c(O)c5C(=O)c3c(O)cc1c(OC2OC1(C(O)C(N(C)C
    )C2O)C)c3C(=O)c5c4)C(OC6OC(C)C(OC)C(OC)(
    C)C6OC)CC7(O)C; CC1C(C(C(C(O1)OC2CC(C(c3
    c2c(c4c(c3)C(=O)c5c(c(cc6c5OC7C(C(C(C6(O
    7)C)O)N(C)C)O)O)C4=O)O)C(=O)OC)(C)O)OC)(
    C)OC)OC; C[C@H]1[C@@H]([C@@]([C@H]([C@@H
    ](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(
    =O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H](
    [C@@]6(O7)C)O)N(C)C)O)O)C4=O)O)C(=O)OC)(
    C)O)OC)(C)OC)OC    		 NOGALAMYCIN
    29766
    NGN    		 0 N InChI=1/H3N/h1H3;
    QGZKDVFQNNGYKY-UHFFFAOYAF    		 N; [N]; [NH4+] NITROGEN
    29767
    NGO    		 6 C8 H14 N O5 InChI=1S/C8H13NO5/c1-3-9-
    5-7(12)6(11)4(2-10)14-8(5
    )13-3/h4-8,10-12H,2H2,1H3
    /p+1/t4-,5-,6-,7-,8+/m1/s
    1;
    PDBSWNMXMILYCQ-PVFLNQBWSA-O    		 CC1=[NH+]C2C(C(C(OC2O1)CO)O)O; CC1=[NH+]
    [C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)CO)
    O)O; CC1=[NH+][CH]2[CH](O)[CH](O)[CH](CO
    )O[CH]2O1; CC1=[NH+][C@@H]2[C@@H](O)[C@H
    ](O)[C@@H](CO)O[C@@H]2O1; O1C(=[NH+]C2C(
    O)C(O)C(OC12)CO)C    		 2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE;
    N-ACETYLGLUCOSAMINE-OXAZOLINIUM ION INTERMEDIATE
    29768
    NGP    		 0 C39 H52 N O16 InChI=1S/C39H51NO16/c1-14
    -32(49-7)39(4,52-10)33(50
    -8)36(53-14)54-19-13-37(2
    ,48)24(34(47)51-9)15-11-1
    6-21(27(43)20(15)19)28(44
    )22-18(41)12-17-30(23(22)
    26(16)42)55-35-29(45)25(4
    0(5)6)31(46)38(17,3)56-35
    /h11-12,14,16,19-20,24-25
    ,29,31-33,35-36,41,43,45-
    46,48H,13H2,1-10H3/p+1/t1
    4-,16-,19-,20-,24-,25-,29
    -,31+,32-,33-,35+,36-,37-
    ,38+,39+/m0/s1;
    NXHOGSUAUGLOER-JRDTZGCNSA-O    		 CO[C@H]1[C@H](C)O[C@@H](O[C@H]2C[C@](C)(
    O)[C@H](C(=O)OC)C3=C[C@@H]4C(=O)c5c6O[C@
    @H]7O[C@@](C)([C@H](O)[C@H]([C@@H]7O)[NH
    +](C)C)c6cc(O)c5C(=O)C4=C(O)[C@H]23)[C@H
    ](OC)[C@]1(C)OC; C[C@H]1[C@@H]([C@@]([C@
    H]([C@@H](O1)O[C@H]2C[C@]([C@@H](C3=CC4C
    (=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]
    ([C@@]6(O7)C)O)[NH+](C)C)O)O)C(=O)C4=C(C
    23)O)C(=O)OC)(C)O)OC)(C)OC)OC; CC1C(C(C(
    C(O1)OC2CC(C(C3=CC4C(=O)c5c(c(cc6c5OC7C(
    C(C(C6(O7)C)O)[NH+](C)C)O)O)C(=O)C4=C(C2
    3)O)C(=O)OC)(C)O)OC)(C)OC)OC; CO[CH]1[CH
    ](C)O[CH](O[CH]2C[C](C)(O)[CH](C(=O)OC)C
    3=C[CH]4C(=O)c5c6O[CH]7O[C](C)([CH](O)[C
    H]([CH]7O)[NH+](C)C)c6cc(O)c5C(=O)C4=C(O
    )[CH]23)[CH](OC)[C]1(C)OC; O=C(OC)C3C1=C
    C7C(=C(O)C1C(OC2OC(C)C(OC)C(OC)(C)C2OC)C
    C3(O)C)C(=O)c6c(O)cc4c(OC5OC4(C(O)C(C5O)
    [NH+](C)C)C)c6C7=O    		 NOGALAMYCIN (PROTONATED FORM)
    29769
    NGQ
    CHEMBL1256283
    ZINC000001529598    		 2 C6 H11 N3 O4 InChI=1S/C6H11N3O4/c7-6(8
    )9-3(5(12)13)1-2-4(10)11/
    h3H,1-2H2,(H,10,11)(H,12,
    13)(H4,7,8,9)/t3-/m0/s1;
    RHVVRMJOHATSPD-VKHMYHEASA-N    		 NC(=N)N[C@@H](CCC(O)=O)C(O)=O; O=C(O)C(N
    C(=[N@H])N)CCC(=O)O; [H]/N=C(\N)/N[C@@H]
    (CCC(=O)O)C(=O)O; NC(=N)N[CH](CCC(O)=O)C
    (O)=O; C(CC(=O)O)C(C(=O)O)NC(=N)N    		 N-carbamimidoyl-L-glutamic acid;
    N-Guanidino-L-Glutamate
    29770
    NGR    		 0 C12 H22 O11 InChI=1S/C12H22O11/c13-1-
    3-5(15)7(17)8(18)12(22-3)
    23-10-6(16)4(2-14)21-11(2
    0)9(10)19/h3-20H,1-2H2/t3
    -,4-,5-,6-,7+,8-,9-,10+,1
    1+,12-/m1/s1;
    QIGJYVCQYDKYDW-NMCXEIBESA-N    		 OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)O[CH](C
    O)[CH]2O)[CH](O)[CH](O)[CH]1O; C(C1C(C(C
    (C(O1)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O; OC
    [C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)O
    [C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]
    1O; C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1
    )O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O
    2)CO)O)O)O)O)O; O(C1C(O)C(O)OC(CO)C1O)C2
    OC(C(O)C(O)C2O)CO    		 3-O-alpha-D-glucopyranosyl-alpha-D-glucopyranose
    29771
    NGS
    ZINC000004096329    		 19 C8 H15 N O9 S InChI=1S/C8H15NO9S/c1-3(1
    0)9-5-7(12)6(11)4(18-8(5)
    13)2-17-19(14,15)16/h4-8,
    11-13H,2H2,1H3,(H,9,10)(H
    ,14,15,16)/t4-,5-,6-,7-,8
    -/m1/s1;
    WJFVEEAIYIOATH-FMDGEEDCSA-N    		 O=S(=O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O; CC
    (=O)NC1C(C(C(OC1O)COS(=O)(=O)O)O)O; CC(=
    O)N[CH]1[CH](O)O[CH](CO[S](O)(=O)=O)[CH]
    (O)[CH]1O; CC(=O)N[C@H]1[C@H](O)O[C@H](C
    O[S](O)(=O)=O)[C@@H](O)[C@@H]1O; CC(=O)N
    [C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COS(=
    O)(=O)O)O)O    		 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose;
    2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranose;
    N-ACETYL-D-GLUCOSAMINE-6-SULFATE;
    N-acetyl-6-O-sulfo-beta-D-glucosamine;
    2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucose;
    2-acetamido-2-deoxy-6-O-sulfo-D-glucose;
    2-acetamido-2-deoxy-6-O-sulfo-glucose
    29772
    NGT
    CHEMBL257158
    DB03747
    ZINC000016051892    		 38 C8 H13 N O4 S InChI=1S/C8H13NO4S/c1-3-9
    -5-7(12)6(11)4(2-10)13-8(
    5)14-3/h4-8,10-12H,2H2,1H
    3/t4-,5-,6-,7-,8-/m1/s1;
    DRHXTSWSUAJOJZ-FMDGEEDCSA-N    		 CC1=NC2C(C(C(OC2S1)CO)O)O; N1=C(SC2OC(C(
    O)C(O)C12)CO)C; CC1=N[C@@H]2[C@H]([C@@H]
    ([C@H](O[C@@H]2S1)CO)O)O; CC1=N[CH]2[CH]
    (O)[CH](O)[CH](CO)O[CH]2S1; CC1=N[C@@H]2
    [C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2S1    		 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL
    29773
    NGU
    ZINC000098209224    		 0 C39 H49 N O17 InChI=1S/C39H49NO17/c1-14
    -32(50-6)39(4,53-9)33(51-
    7)36(54-14)55-19-12-37(2,
    49)24(34(48)52-8)15-10-16
    -21(27(44)20(15)19)28(45)
    22-18(42)11-17-30(23(22)2
    6(16)43)56-35-29(46)25(40
    (5)13-41)31(47)38(17,3)57
    -35/h10-11,14,19,24-25,29
    ,31-33,35-36,41-42,44,46-
    47,49H,12-13H2,1-9H3/t14-
    ,19-,24-,25-,29-,31+,32-,
    33-,35+,36-,37-,38+,39+/m
    0/s1;
    LZNCBRPUGPTNSO-JYOBTZKQSA-N    		 CO[C@H]1[C@H](C)O[C@@H](O[C@H]2C[C@](C)(
    O)[C@H](C(=O)OC)c3cc4C(=O)c5c6O[C@@H]7O[
    C@@](C)([C@H](O)[C@H]([C@@H]7O)N(C)CO)c6
    cc(O)c5C(=O)c4c(O)c23)[C@H](OC)[C@]1(C)O
    C; CC1C(C(C(C(O1)OC2CC(C(c3c2c(c4c(c3)C(
    =O)c5c(c(cc6c5OC7C(C(C(C6(O7)C)O)N(C)CO)
    O)O)C4=O)O)C(=O)OC)(C)O)OC)(C)OC)OC; O=C
    (OC)C7c4c(c(O)c5C(=O)c3c(O)cc1c(OC2OC1(C
    (O)C(N(C)CO)C2O)C)c3C(=O)c5c4)C(OC6OC(C)
    C(OC)C(OC)(C)C6OC)CC7(O)C; C[C@H]1[C@@H]
    ([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@
    H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7[
    C@H]([C@@H]([C@H]([C@@]6(O7)C)O)[N@@](C)
    CO)O)O)C4=O)O)C(=O)OC)(C)O)OC)(C)OC)OC;
    CO[CH]1[CH](C)O[CH](O[CH]2C[C](C)(O)[CH]
    (C(=O)OC)c3cc4C(=O)c5c6O[CH]7O[C](C)([CH
    ](O)[CH]([CH]7O)N(C)CO)c6cc(O)c5C(=O)c4c
    (O)c23)[CH](OC)[C]1(C)OC    		 U-58872, HYDROXY DERIVATIVE OF NOGALAMYCIN
    29774
    NGV
    DB04064
    ZINC000012504118    		 5 C21 H14 O7 InChI=1S/C21H14O7/c1-8-6-
    13(23)16-10(14(8)21(27)28
    -2)7-11-17(20(16)26)19(25
    )15-9(18(11)24)4-3-5-12(1
    5)22/h3-5,7,22,26H,6H2,1-
    2H3;
    QHNJNOBWURJIEK-UHFFFAOYSA-N    		 CC1=C(c2cc3c(c(c2C(=O)C1)O)C(=O)c4c(cccc
    4O)C3=O)C(=O)OC; O=C1c4c(C(=O)c2c1cccc2O
    )c(O)c3c(C(=C(C)CC3=O)C(=O)OC)c4; COC(=O
    )C1=C(C)CC(=O)c2c(O)c3C(=O)c4c(O)cccc4C(
    =O)c3cc12    		 METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-1-CARBOXYLATE;
    NOGALAVIKETONE
    29775
    NGW
    ZINC000024610608    		 5 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-GUHFPMLUSA-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]2
    S1; C[C@H]1N[C@@H]2[C@H]([C@@H]([C@H](O[
    C@@H]2S1)CO)O)O; O1C(C(O)C(O)C2NC(SC12)C
    )CO    		 (2S,3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1H-pyrano[3,2-d][1,3]thiazole-6,7-diol
    29776
    NGX    		 1 C11 H12 Cl N3 O InChI=1S/C11H12ClN3O/c12-
    10-3-1-2-9(4-10)5-11(16)6
    -15-8-13-7-14-15/h1-4,7-8
    ,11,16H,5-6H2/t11-/m0/s1;
    PZYJRCQIDAUQHX-NSHDSACASA-N    		 c1cc(cc(c1)Cl)C[C@@H](Cn2cncn2)O; c1cc(c
    c(c1)Cl)CC(Cn2cncn2)O; O[CH](Cn1cncn1)Cc
    2cccc(Cl)c2; O[C@H](Cn1cncn1)Cc2cccc(Cl)
    c2; OC(Cc1cccc(Cl)c1)Cn1cncn1    		 (2S)-1-(3-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol
    29777
    NGY
    ZINC000013543979    		 13 C8 H15 N O9 S InChI=1S/C8H15NO9S/c1-3(1
    0)9-5-7(12)6(11)4(18-8(5)
    13)2-17-19(14,15)16/h4-8,
    11-13H,2H2,1H3,(H,9,10)(H
    ,14,15,16)/t4-,5-,6-,7-,8
    +/m1/s1;
    WJFVEEAIYIOATH-PVFLNQBWSA-N    		 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]
    1O)COS(=O)(=O)O)O)O; O=S(=O)(O)OCC1OC(O)
    C(NC(=O)C)C(O)C1O; CC(=O)N[C@H]1[C@@H](O
    )O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@@H]1O
    ; CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)O)O;
    CC(=O)N[CH]1[CH](O)O[CH](CO[S](O)(=O)=O)
    [CH](O)[CH]1O    		 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose;
    2-(acetylamino)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose;
    N-acetyl-6-O-sulfo-alpha-D-glucosamine;
    2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucose;
    2-acetamido-2-deoxy-6-O-sulfo-D-glucose;
    2-acetamido-2-deoxy-6-O-sulfo-glucose
    29778
    NGZ    		 0 C8 H15 N O6 InChI=1S/C8H15NO6/c1-3(11
    )9-5-7(13)6(12)4(2-10)15-
    8(5)14/h4-8,10,12-14H,2H2
    ,1H3,(H,9,11)/t4-,5-,6-,7
    -,8+/m0/s1;
    OVRNDRQMDRJTHS-DMHSOCPYSA-N    		 CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1
    O; CC(=O)N[C@@H]1[C@H](O)O[C@@H](CO)[C@H
    ](O)[C@H]1O; C1(C(C(C(C(CO)O1)O)O)NC(C)=
    O)O; CC(=O)N[C@H]1[C@@H]([C@H]([C@@H](O[
    C@H]1O)CO)O)O; CC(=O)NC1C(C(C(OC1O)CO)O)
    O    		 2-acetamido-2-deoxy-alpha-L-glucopyranose;
    N-acetyl-alpha-L-glucosamine;
    2-acetamido-2-deoxy-alpha-L-glucose;
    2-acetamido-2-deoxy-L-glucose;
    2-acetamido-2-deoxy-glucose;
    2-(ACETYLAMINO)-2-DEOXY-ALPHA-L-GLUCOPYRANOSE
    29779
    NH    		 0 H N InChI=1/H3N/h1H3;
    QGZKDVFQNNGYKY-UHFFFAOYAF    		 N; [NH] AMINO SUBSTITUTION GROUP
    29780
    NH0    		 1 C30 H37 N3 O3 S InChI=1S/C30H37N3O3S/c1-3
    0(2,3)36-29(35)33-26(20-2
    4-10-6-4-7-11-24)22-37-27
    (21-25-12-8-5-9-13-25)28(
    34)32-19-16-23-14-17-31-1
    8-15-23/h4-15,17-18,26-27
    H,16,19-22H2,1-3H3,(H,32,
    34)(H,33,35)/t26-,27+/m0/
    s1;
    JGGRDZOOKJGTKG-RRPNLBNLSA-N    		 CC(C)(C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=
    O)NCCc2ccncc2)Cc3ccccc3; CC(C)(C)OC(=O)N
    C(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCc1ccnc
    c1; CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc2cc
    ccc2)C(=O)NCCc3ccncc3; CC(C)(C)OC(=O)N[C
    @H](CS[C@H](Cc1ccccc1)C(=O)NCCc2ccncc2)C
    c3ccccc3; CC(C)(C)OC(=O)N[C@@H](Cc1ccccc
    1)CS[C@H](Cc2ccccc2)C(=O)NCCc3ccncc3    		 tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-4-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
    29781
    NH1
    DB04298
    ZINC000100034141    		 1 C29 H37 N O4 S InChI=1S/C29H37NO4S/c1-18
    -15-25(22(16-23(18)30)28(
    2,3)4)35-26-24(32)17-29(3
    4-27(26)33,20-7-5-6-8-20)
    14-13-19-9-11-21(31)12-10
    -19/h9-12,15-16,20,31-32H
    ,5-8,13-14,17,30H2,1-4H3/
    t29-/m0/s1;
    ZEBFKFGJWHOOST-LJAQVGFWSA-N    		 O=C3OC(C1CCCC1)(CC(O)=C3Sc2cc(c(N)cc2C(C
    )(C)C)C)CCc4ccc(O)cc4; Cc1cc(c(cc1N)C(C)
    (C)C)SC2=C(CC(OC2=O)(CCc3ccc(cc3)O)C4CCC
    C4)O; Cc1cc(SC2=C(O)C[C@](CCc3ccc(O)cc3)
    (OC2=O)C4CCCC4)c(cc1N)C(C)(C)C; Cc1cc(c(
    cc1N)C(C)(C)C)SC2=C(C[C@@](OC2=O)(CCc3cc
    c(cc3)O)C4CCCC4)O; Cc1cc(SC2=C(O)C[C](CC
    c3ccc(O)cc3)(OC2=O)C4CCCC4)c(cc1N)C(C)(C
    )C    		 3-(4-AMINO-2-TERT-BUTYL-5-METHYL-PHENYLSULFANYL)-6-CYCLOPENTYL-4-HYDROXY-6-[2-(4-HYDROXY-PHENYL)-ETHYL]-5,6-DIHYDRO-PYRAN-2-ONE
    29782
    NH2
    CHEMBL1160819    		 4 H2 N InChI=1S/H3N/h1H3;
    QGZKDVFQNNGYKY-UHFFFAOYSA-N    		 [NH2]; N AMINO GROUP
    29783
    NH3
    CHEMBL1160819    		 25 H3 N InChI=1S/H3N/h1H3;
    QGZKDVFQNNGYKY-UHFFFAOYSA-N    		 N AMMONIA
    29784
    NH4    		 9 H4 N InChI=1S/H3N/h1H3/p+1;
    QGZKDVFQNNGYKY-UHFFFAOYSA-O    		 [NH4+] AMMONIUM ION
    29785
    NH5
    CHEMBL2169920
    ZINC000072316825    		 1 C29 H38 Cl2 N4 O4 InChI=1S/C29H38Cl2N4O4/c3
    0-23-8-6-20(18-24(23)31)1
    0-13-32-15-12-27(38)35(22
    -4-2-1-3-5-22)17-16-33-14
    -11-21-7-9-25(36)28-29(21
    )39-19-26(37)34-28/h6-9,1
    8,22,32-33,36H,1-5,10-17,
    19H2,(H,34,37);
    LIBVHXXKHSODII-UHFFFAOYSA-N    		 c1cc(c(cc1CCNCCC(=O)N(CCNCCc2ccc(c3c2OCC
    (=O)N3)O)C4CCCCC4)Cl)Cl; Oc1ccc(CCNCCN(C
    2CCCCC2)C(=O)CCNCCc3ccc(Cl)c(Cl)c3)c4OCC
    (=O)Nc14; Clc1ccc(cc1Cl)CCNCCC(=O)N(C2CC
    CCC2)CCNCCc3ccc(O)c4NC(=O)COc34    		 N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide
    29786
    NH6
    ZINC000000934012    		 1 C25 H27 Cl N2 O4 S2 InChI=1S/C25H27ClN2O4S2/c
    26-22-12-10-21(11-13-22)1
    9-28(23-8-4-5-9-23)34(31,
    32)25-16-14-24(15-17-25)3
    3(29,30)27-18-20-6-2-1-3-
    7-20/h1-3,6-7,10-17,23,27
    H,4-5,8-9,18-19H2;
    CWMNFAGFCBOHSI-UHFFFAOYSA-N    		 Clc1ccc(CN(C2CCCC2)[S](=O)(=O)c3ccc(cc3)
    [S](=O)(=O)NCc4ccccc4)cc1; c1ccc(cc1)CNS
    (=O)(=O)c2ccc(cc2)S(=O)(=O)N(Cc3ccc(cc3)
    Cl)C4CCCC4    		 ~{N}1-[(4-chlorophenyl)methyl]-~{N}1-cyclopentyl-~{N}4-(phenylmethyl)benzene-1,4-disulfonamide
    29787
    NH7
    ZINC000039029984    		 1 C30 H27 Cl N4 O4 InChI=1S/C30H27ClN4O4/c1-
    34-19-32-18-26(34)30(37,2
    3-7-9-24(31)10-8-23)27-17
    -21-15-22(29(36)33-35-11-
    13-38-14-12-35)16-25(28(2
    1)39-27)20-5-3-2-4-6-20/h
    2-10,15-19,37H,11-14H2,1H
    3,(H,33,36)/t30-/m0/s1;
    DEXSDZQNSUQUAY-PMERELPUSA-N    		 Cn1cncc1[C](O)(c2oc3c(cc(cc3c4ccccc4)C(=
    O)NN5CCOCC5)c2)c6ccc(Cl)cc6; Cn1cncc1C(c
    2ccc(cc2)Cl)(c3cc4cc(cc(c4o3)c5ccccc5)C(
    =O)NN6CCOCC6)O; Cn1cncc1[C@@](c2ccc(cc2)
    Cl)(c3cc4cc(cc(c4o3)c5ccccc5)C(=O)NN6CCO
    CC6)O; O=C(NN1CCOCC1)c4cc2cc(oc2c(c3cccc
    c3)c4)C(O)(c5ccc(Cl)cc5)c6cncn6C; Cn1cnc
    c1[C@](O)(c2oc3c(cc(cc3c4ccccc4)C(=O)NN5
    CCOCC5)c2)c6ccc(Cl)cc6    		 2-[(S)-(4-chlorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-N-morpholin-4-yl-7-phenyl-1-benzofuran-5-carboxamide
    29788
    NH8
    ZINC000039029986    		 1 C27 H17 N5 O4 InChI=1S/C27H17N5O4/c1-31
    -16-30-15-24(31)27(33,21-
    7-5-17(13-28)6-8-21)25-11
    -20-10-22(32(34)35)12-23(
    26(20)36-25)19-4-2-3-18(9
    -19)14-29/h2-12,15-16,33H
    ,1H3/t27-/m0/s1;
    NYEPLLLECMESPU-MHZLTWQESA-N    		 Cn1cncc1[C](O)(c2oc3c(c2)cc(cc3c4cccc(c4
    )C#N)[N+]([O-])=O)c5ccc(cc5)C#N; Cn1cncc
    1[C@@](c2ccc(cc2)C#N)(c3cc4cc(cc(c4o3)c5
    cccc(c5)C#N)[N+](=O)[O-])O; N#Cc1ccc(cc1
    )C(O)(c2cncn2C)c4oc3c(cc(cc3c4)[N+]([O-]
    )=O)c5cccc(C#N)c5; Cn1cncc1C(c2ccc(cc2)C
    #N)(c3cc4cc(cc(c4o3)c5cccc(c5)C#N)[N+](=
    O)[O-])O; Cn1cncc1[C@](O)(c2oc3c(c2)cc(c
    c3c4cccc(c4)C#N)[N+]([O-])=O)c5ccc(cc5)C
    #N    		 3-{2-[(S)-(4-cyanophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-5-nitro-1-benzofuran-7-yl}benzonitrile
    29789
    NH9    		 1 C39 H65 N10 O30 P5 S InChI=1S/C39H65N10O30P5S/
    c1-17-11-48(38(58)47-34(1
    7)56)24-10-20(50)21(74-24
    )12-70-82(64,65)79-84(68,
    69)77-37-28(53)27(52)25(1
    8(2)73-37)46-19(3)85-9-8-
    41-23(51)6-7-42-35(57)31(
    55)39(4,5)14-72-83(66,67)
    78-81(62,63)71-13-22-30(7
    6-80(59,60)61)29(54)36(75
    -22)49-16-45-26-32(40)43-
    15-44-33(26)49/h11,15-16,
    18-22,24-25,27-31,36-37,4
    6,50,52-55H,6-10,12-14H2,
    1-5H3,(H,41,51)(H,42,57)(
    H,62,63)(H,64,65)(H,66,67
    )(H,68,69)(H2,40,43,44)(H
    ,47,56,58)(H2,59,60,61)/t
    18-,19+,20+,21-,22-,24-,2
    5-,27+,28-,29-,30-,31+,36
    -,37-/m1/s1;
    CAIUZPLIIIAOAA-MGECECIFSA-N    		 C[CH](N[CH]1[CH](C)O[CH](O[P](O)(=O)O[P]
    (O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O
    )NC3=O)[CH](O)[CH]1O)SCCNC(=O)CCNC(=O)[C
    H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH
    ]4O[CH]([CH](O)[CH]4O[P](O)(O)=O)n5cnc6c
    (N)ncnc56; C[C@@H](N[C@@H]1[C@@H](C)O[C@
    H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H](
    C[C@@H]2O)N3C=C(C)C(=O)NC3=O)[C@H](O)[C@
    H]1O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[
    P](O)(=O)O[P](O)(=O)OC[C@H]4O[C@H]([C@H]
    (O)[C@@H]4O[P](O)(O)=O)n5cnc6c(N)ncnc56;
    CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C
    C(O2)N3C=C(C(=O)NC3=O)C)O)O)O)NC(C)SCCNC
    (=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)
    OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O
    )O; C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)
    OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H]
    (O2)N3C=C(C(=O)NC3=O)C)O)O)O)N[C@H](C)SC
    CNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O
    P(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n
    5cnc6c5ncnc6N)O)OP(=O)(O)O)O; O=P(O)(O)O
    C1C(O)C(OC1COP(=O)(O)OP(=O)(O)OCC(C)(C)C
    (O)C(=O)NCCC(=O)NCCSC(C)NC1C(C)OC(OP(=O)
    (O)OP(=O)(O)OCC2OC(CC2O)N2C=C(C)C(=O)NC2
    =O)C(O)C1O)n1cnc2c(N)ncnc21    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-4-({3-[(2-{[(1S)-1-{[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-{[(R)-hydroxy{[(R)-hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methoxy}phosphoryl]oxy}phosphoryl]oxy}-2-methyloxan-3-yl]amino}ethyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)
    29790
    NHA
    CHEMBL2009979    		 0 C4 H9 N3 O2 InChI=1S/C4H9N3O2/c5-2(4(
    7)9)1-3(6)8/h2H,1,5H2,(H2
    ,6,8)(H2,7,9);
    DSLBDPPHINVUID-UHFFFAOYSA-N    		 C([C@H](C(=O)N)N)C(=O)N; NC(CC(N)=O)C(N)
    =O; C(C(C(=O)N)N)C(=O)N    		 C-DEHYDROXY-C-AMINO-ASPARAGINE
    29791
    NHB
    DB02917
    ZINC000005850198    		 4 C17 H15 N3 O4 S2 InChI=1S/C17H15N3O4S2/c1-
    20(13-7-5-12(6-8-13)17(21
    )19-22)26(23,24)16-10-9-1
    5(25-16)14-4-2-3-11-18-14
    /h2-11,22H,1H3,(H,19,21);
    LFGYSFPVLMPUPE-UHFFFAOYSA-N    		 CN(c1ccc(cc1)C(=O)NO)[S](=O)(=O)c2sc(cc2
    )c3ccccn3; CN(c1ccc(cc1)C(=O)NO)S(=O)(=O
    )c2ccc(s2)c3ccccn3; O=S(=O)(c2sc(c1ncccc
    1)cc2)N(c3ccc(C(=O)NO)cc3)C    		 N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-2-THIENYL]SULFONYL}AMINO)BENZAMIDE
    29792
    NHC
    CHEMBL1234720
    ZINC000013783286    		 8 C10 H14 O5 InChI=1S/C10H14O5/c1-9(7(
    11)12)5-3-4-6(15-5)10(9,2
    )8(13)14/h5-6H,3-4H2,1-2H
    3,(H,11,12)(H,13,14)/t5-,
    6+,9+,10-;
    NMTNUQBORQILRK-XCVPVQRUSA-N    		 CC1(C2CCC(C1(C)C(=O)O)O2)C(=O)O; O=C(O)C
    1(C(C(=O)O)(C)C2OC1CC2)C; C[C@]1([C@H]2C
    C[C@@H]([C@]1(C)C(=O)O)O2)C(=O)O; C[C]1(
    [CH]2CC[CH](O2)[C]1(C)C(O)=O)C(O)=O; C[C
    @]1([C@H]2CC[C@H](O2)[C@]1(C)C(O)=O)C(O)
    =O    		 (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid;
    Cantharidic acid
    29793
    NHD    		 1 C21 H26 N6 O15 P2 InChI=1S/C21H26N6O15P2/c2
    2-17(32)9-2-1-3-26(4-9)20
    -15(30)13(28)10(40-20)5-3
    8-43(34,35)42-44(36,37)39
    -6-11-14(29)16(31)21(41-1
    1)27-8-25-12-18(27)23-7-2
    4-19(12)33/h1-4,7-8,10-11
    ,13-16,20-21,28-31H,5-6H2
    ,(H4-,22,23,24,32,33,34,3
    5,36,37)/t10-,11-,13-,14-
    ,15-,16-,20-,21-/m1/s1;
    DGVSIBCCYUVRNA-NNYOXOHSSA-N    		 NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([
    O-])(=O)O[P@@](O)(=O)OC[C@H]3O[C@H]([C@H
    ](O)[C@@H]3O)n4cnc5c(O)ncnc45)[C@@H](O)[
    C@H]2O; c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)
    ([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc
    5O)O)O)O)O)C(=O)N; c1cc(c[n+](c1)[C@H]2[
    C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O
    [P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O
    3)n4cnc5c4ncnc5O)O)O)O)O)C(=O)N; NC(=O)c
    1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[
    P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cn
    c5c(O)ncnc45)[CH](O)[CH]2O    		 NICOTINAMIDE PURIN-6-OL-DINUCLEOTIDE
    29794
    NHE
    DB03309
    ZINC000001710230    		 24 C8 H17 N O3 S InChI=1S/C8H17NO3S/c10-13
    (11,12)7-6-9-8-4-2-1-3-5-
    8/h8-9H,1-7H2,(H,10,11,12
    );
    MKWKNSIESPFAQN-UHFFFAOYSA-N    		 C1CCC(CC1)NCCS(=O)(=O)O; O[S](=O)(=O)CCN
    C1CCCCC1; O=S(=O)(O)CCNC1CCCCC1    		 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID;
    N-CYCLOHEXYLTAURINE;
    CHES
    29795
    NHF
    CHEMBL1234723    		 11 C6 H10 O5 InChI=1S/C6H10O5/c7-1-4-6
    (10)5(9)3(8)2-11-4/h4-7,9
    -10H,1-2H2/t4-,5-,6-/m1/s
    1;
    OCLOLUFOLJIQDC-HSUXUTPPSA-N    		 OC[C@H]1OCC(=O)[C@@H](O)[C@@H]1O; C1C(=O
    )C(C(C(O1)CO)O)O; OC[CH]1OCC(=O)[CH](O)[
    CH]1O; C1C(=O)[C@H]([C@@H]([C@H](O1)CO)O
    )O; O=C1COC(CO)C(O)C1O    		 1,5-anhydro-D-fructose
    29796
    NHG
    ZINC000095920534    		 1 C11 H14 N2 O InChI=1S/C11H14N2O/c1-11-
    4-5-12-10(11)13-9-3-2-7(1
    4)6-8(9)11/h2-3,6,10,12-1
    4H,4-5H2,1H3/t10-,11+/m1/
    s1;
    BLEHTFVVORLVPX-MNOVXSKESA-N    		 C[C@@]12CCN[C@@H]1Nc3c2cc(cc3)O; CC12CCN
    C1Nc3c2cc(cc3)O; C[C@@]12CCN[C@@H]1Nc3cc
    c(O)cc23; C[C]12CCN[CH]1Nc3ccc(O)cc23; O
    c1cc2c(cc1)NC3NCCC23C    		 BIS-NORESEROLINE
    29797
    NHH    		 0 C8 H16 N8 InChI=1S/C8H16N8/c9-7(10)
    15-13-5-1-2-6(4-3-5)14-16
    -8(11)12/h1-4H2,(H4,9,10,
    15)(H4,11,12,16)/b13-5-,1
    4-6+;
    HEPQODZXYFHKOQ-FUJGBLOQSA-N    		 NC(N)=NN=C1CCC(CC1)=NN=C(N)N; NC(N)=N\N=
    C1\CC\C(CC1)=N/N=C(N)N; C1CC(=NN=C(N)N)C
    CC1=NN=C(N)N; N(\N=C1/CC\C(=N\N=C(/N)N)C
    C1)=C(\N)N    		 N'-{4-[2-(DIAMINOMETHYLIDENE)HYDRAZONO]CYCLOHEXYLIDEN}AMINOMETHANEHYDRAZONAMIDE
    29798
    NHI
    CHEMBL2170598
    ZINC000004638928    		 1 C18 H14 N4 O4 InChI=1S/C18H14N4O4/c23-1
    6(24)11-1-5-13(6-2-11)20-
    15-9-10-19-18(22-15)21-14
    -7-3-12(4-8-14)17(25)26/h
    1-10H,(H,23,24)(H,25,26)(
    H2,19,20,21,22);
    PZRUXYWYONKHDD-UHFFFAOYSA-N    		 OC(=O)c1ccc(Nc2ccnc(Nc3ccc(cc3)C(O)=O)n2
    )cc1; c1cc(ccc1C(=O)O)Nc2ccnc(n2)Nc3ccc(
    cc3)C(=O)O; O=C(O)c1ccc(cc1)Nc2nc(ncc2)N
    c3ccc(C(=O)O)cc3    		 4,4'-(pyrimidine-2,4-diyldiimino)dibenzoic acid
    29799
    NHJ
    CHEMBL3899351
    ZINC000095920720    		 1 C18 H14 F3 N5 O InChI=1S/C18H14F3N5O/c19-
    18(20,21)12-2-1-3-14(10-1
    2)24-15-8-9-23-17(26-15)2
    5-13-6-4-11(5-7-13)16(22)
    27/h1-10H,(H2,22,27)(H2,2
    3,24,25,26);
    WTPGNNPEEJSILJ-UHFFFAOYSA-N    		 c1cc(cc(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)N)
    C(F)(F)F; NC(=O)c1ccc(Nc2nccc(Nc3cccc(c3
    )C(F)(F)F)n2)cc1; FC(F)(F)c1cc(ccc1)Nc2n
    c(ncc2)Nc3ccc(C(=O)N)cc3    		 4-[(4-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-2-yl)amino]benzamide
    29800
    NHK
    CHEMBL1234724
    ZINC000058650403    		 1 C11 H16 N2 O6 S InChI=1S/C11H16N2O6S/c1-1
    9-9-2-4-10(5-3-9)20(17,18
    )13(6-7-14)8-11(15)12-16/
    h2-5,14,16H,6-8H2,1H3,(H,
    12,15);
    IVGHGMHNUBCTDC-UHFFFAOYSA-N    		 O=S(=O)(N(CC(=O)NO)CCO)c1ccc(OC)cc1; COc
    1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)NO; COc1cc
    c(cc1)[S](=O)(=O)N(CCO)CC(=O)NO    		 N-hydroxy-N~2~-(2-hydroxyethyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide
    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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