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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 interactions with the ligand. The full statistics is available at lig_frequency.txt. Click Count to search the ligand through the database.
  • If multiple SMILES strings exists for the same ligand, different SMILES are separated by semicolon ";".

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    201 EKJ 8 C23 H25 N3 O2 S InChI=1S/C23H24N3O2S/c1-2
    5-13-11-17(18-7-3-4-8-19(
    18)25)15-23-26(16-22(27)2
    4-12-14-28-2)20-9-5-6-10-
    21(20)29-23/h3-11,13H,12,
    14-16H2,1-2H3/q+1/p+1;
    WEFGJTSJMBBARG-UHFFFAOYSA-O    		 COCCNC(=O)C[n+]1c(Cc2cc[n+](C)c3ccccc23)
    sc4ccccc14; c4(Cc1cc[n+](C)c2ccccc12)[n+
    ](CC(NCCOC)=O)c3c(cccc3)s4; C[n+]1ccc(c2
    c1cccc2)Cc3[n+](c4ccccc4s3)CC(=O)NCCOC    		 4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium
    202 EKM 2 C21 H20 N2 S InChI=1S/C21H20N2S/c1-22-
    15-14-16(17-9-3-4-10-18(1
    7)22)8-7-13-21-23(2)19-11
    -5-6-12-20(19)24-21/h3-12
    ,14-15H,13H2,1-2H3/q+2/b8
    -7+;
    BUHZEFGMJCIGHQ-BQYQJAHWSA-N    		 C[n+]1ccc(c2c1cccc2)C=CCc3[n+](c4ccccc4s
    3)C; C[n+]1ccc(/C=C/Cc2sc3ccccc3[n+]2C)c
    4ccccc14; C[n+]1ccc(c2c1cccc2)/C=C/Cc3[n
    +](c4ccccc4s3)C; C[n+]1ccc(C=CCc2sc3cccc
    c3[n+]2C)c4ccccc14; C[n+]4ccc([C@H]=[C@H
    ]Cc2sc1ccccc1[n+]2C)c3c4cccc3    		 1-methyl-4-[(1E)-3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-1-yl]quinolin-1-ium
    203 EM1
    CHEMBL1232510
    DB09308
    ZINC000095627834    		 2 C43 H65 F N6 O10 InChI=1S/C43H65FN6O10/c1-
    12-32-43(8)35(50(40(55)60
    -43)19-14-13-18-49-23-30(
    46-47-49)28-16-15-17-29(4
    5)21-28)26(4)33(51)24(2)2
    2-41(6,56-11)37(27(5)36(5
    3)42(7,44)39(54)58-32)59-
    38-34(52)31(48(9)10)20-25
    (3)57-38/h15-17,21,23-27,
    31-32,34-35,37-38,52H,12-
    14,18-20,22,45H2,1-11H3/t
    24-,25-,26+,27+,31+,32-,3
    4-,35-,37-,38+,41-,42+,43
    -/m1/s1;
    IXXFZUPTQVDPPK-ZAWHAJPISA-N    		 CC[CH]1OC(=O)[C](C)(F)C(=O)[CH](C)[CH](O
    [CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[C](C)(C
    [CH](C)C(=O)[CH](C)[CH]3N(CCCCn4cc(nn4)c
    5cccc(N)c5)C(=O)O[C]13C)OC; O=C2OC5(C(OC
    (=O)C(F)(C(=O)C(C(OC1OC(C)CC(N(C)C)C1O)C
    (OC)(C)CC(C(=O)C(C)C5N2CCCCn4nnc(c3cccc(
    N)c3)c4)C)C)C)CC)C; CC[C@@H]1[C@@]2([C@@
    H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]
    (C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H](
    [C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(
    =O)O2)CCCCn4cc(nn4)c5cccc(c5)N)C; CC[C@H
    ]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O
    [C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C
    @@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]3N(CC
    CCn4cc(nn4)c5cccc(N)c5)C(=O)O[C@]13C)OC;
    CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1
    )(C)F)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C
    )N(C(=O)O2)CCCCn4cc(nn4)c5cccc(c5)N)C    		 (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a ,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside;
    CEM-101
    204 EMK 1 C52 H88 F N5 O15 S InChI=1S/C52H88FN5O15S/c1
    -15-40-52(10,65)45(61)33(
    6)57(12)27-29(2)24-50(8,6
    4)47(31(4)44(32(5)48(63)7
    1-40)72-41-25-51(9,68-13)
    46(62)34(7)70-41)73-49-43
    (60)38(23-30(3)69-49)56(1
    1)22-16-17-36-28-58(55-54
    -36)39(26-53)42(59)35-18-
    20-37(21-19-35)74(14,66)6
    7/h18-21,28-34,38-47,49,5
    9-62,64-65H,15-17,22-27H2
    ,1-14H3/t29-,30-,31+,32-,
    33-,34+,38+,39-,40-,41+,4
    2-,43-,44+,45-,46+,47-,49
    +,50-,51-,52-/m1/s1;
    YWHOXJJBJDOIMO-BOBSHVDTSA-N    		 CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2C
    C(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)
    CCCc4cn(nn4)C(CF)C(c5ccc(cc5)S(=O)(=O)C)
    O)O)(C)O)C)C)C)O)(C)O; CC[C@@H]1[C@@]([C
    @@H]([C@H]([N@](C[C@@H](C[C@@]([C@@H]([C
    @H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]
    ([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@
    H]([C@H](C[C@H](O3)C)[N@](C)CCCc4cn(nn4)
    [C@H](CF)[C@@H](c5ccc(cc5)S(=O)(=O)C)O)O
    )(C)O)C)C)C)O)(C)O; CC[C@H]1OC(=O)[C@H](
    C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C
    @H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C
    )C[C@@H]([C@H]3O)N(C)CCCc4cn(nn4)[C@H](C
    F)[C@H](O)c5ccc(cc5)[S](C)(=O)=O)[C@](C)
    (O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1
    (C)O; CC[CH]1OC(=O)[CH](C)[CH](O[CH]2C[C
    ](C)(OC)[CH](O)[CH](C)O2)[CH](C)[CH](O[C
    H]3O[CH](C)C[CH]([CH]3O)N(C)CCCc4cn(nn4)
    [CH](CF)[CH](O)c5ccc(cc5)[S](C)(=O)=O)[C
    ](C)(O)C[CH](C)CN(C)[CH](C)[CH](O)[C]1(C
    )O; O=S(=O)(c1ccc(cc1)C(O)C(n2nnc(c2)CCC
    N(C)C3C(O)C(OC(C)C3)OC5C(C(OC4OC(C(O)C(O
    C)(C4)C)C)C(C(=O)OC(CC)C(O)(C)C(O)C(N(C)
    CC(C)CC5(O)C)C)C)C)CF)C    		 (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-[(3,4,6-trideoxy-3-{[3-(1-{(1S,2R)-1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl}-1H-1,2,3-triazol-4-yl)propyl](methyl)amino}-beta-D-xylo-hexopyranosyl)oxy]-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside
    205 EOH
    CHEMBL545
    DB00898    		 3 C2 H6 O InChI=1S/C2H6O/c1-2-3/h3H
    ,2H2,1H3;
    LFQSCWFLJHTTHZ-UHFFFAOYSA-N    		 CCO; OCC ETHANOL
    206 EPE
    CHEMBL1232545
    DB16872
    ZINC000019203136    		 90 C8 H18 N2 O4 S InChI=1S/C8H18N2O4S/c11-7
    -5-9-1-3-10(4-2-9)6-8-15(
    12,13)14/h11H,1-8H2,(H,12
    ,13,14);
    JKMHFZQWWAIEOD-UHFFFAOYSA-N    		 O=S(=O)(O)CCN1CCN(CCO)CC1; C1CN(CCN1CCO)
    CCS(=O)(=O)O; OCCN1CCN(CC1)CC[S](O)(=O)=
    O    		 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID;
    HEPES
    207 EQ1 13 C23 H30 N13 O14 P2 InChI=1S/C23H29N13O14P2/c
    24-21-29-15-9(17(41)31-21
    )27-5-33(15)19-13(39)11(3
    7)7(49-19)3-47-51(43,44)3
    5-1-2-36(23(35)26)52(45,4
    6)48-4-8-12(38)14(40)20(5
    0-8)34-6-28-10-16(34)30-2
    2(25)32-18(10)42/h1-2,5-8
    ,11-14,19-20,26,37-40H,3-
    4H2,(H8,24,25,29,30,31,32
    ,41,42,43,44,45,46)/p+1/t
    7-,8-,11-,12-,13-,14-,19-
    ,20-/m1/s1;
    NQKWYRRUFGLPHK-XPWFQUROSA-O    		 NC1=Nc2c(ncn2C2OC(COP(=O)(O)[n+]3ccn(c3N
    )P(=O)(O)OCC3OC(n4cnc5c4N=C(N)NC5=O)C(O)
    C3O)C(O)C2O)C(=O)N1; c1c[n+](c(n1P(=O)(O
    )OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3
    N=C(NC4=O)N)O)O)N)P(=O)(O)OC[C@@H]5[C@H]
    ([C@H]([C@@H](O5)n6cnc7c6N=C(NC7=O)N)O)O
    ; NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](
    O)(=O)n4cc[n+](c4N)[P](O)(=O)OC[CH]5O[CH
    ]([CH](O)[CH]5O)n6cnc7C(=O)NC(=Nc67)N)[C
    H](O)[CH]3O; c1c[n+](c(n1P(=O)(O)OCC2C(C
    (C(O2)n3cnc4c3N=C(NC4=O)N)O)O)N)P(=O)(O)
    OCC5C(C(C(O5)n6cnc7c6N=C(NC7=O)N)O)O; NC
    1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O
    )(=O)n4cc[n+](c4N)[P](O)(=O)OC[C@H]5O[C@
    H]([C@H](O)[C@@H]5O)n6cnc7C(=O)NC(=Nc67)
    N)[C@@H](O)[C@H]3O    		 2-amino-1-[(R)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-3-[(S)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium
    208 EQ4 16 C13 H17 N8 O7 P InChI=1S/C13H17N8O7P/c14-
    12-18-9-6(10(24)19-12)17-
    4-20(9)11-8(23)7(22)5(28-
    11)3-27-29(25,26)21-2-1-1
    6-13(21)15/h1-2,4-5,7-8,1
    1,22-23H,3H2,(H2,15,16)(H
    ,25,26)(H3,14,18,19,24)/t
    5-,7-,8-,11-/m1/s1;
    UJFHHYLHXPKINK-IOSLPCCCSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P]
    (O)(=O)n4ccnc4N)[C@@H](O)[C@H]3O; P(OCC1
    OC(C(C1O)O)n3c2N=C(NC(c2nc3)=O)N)(O)(=O)
    n4ccnc4N; c1cn(c(n1)N)P(=O)(O)OCC2C(C(C(
    O2)n3cnc4c3N=C(NC4=O)N)O)O; c1cn(c(n1)N)
    P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n
    3cnc4c3N=C(NC4=O)N)O)O; NC1=Nc2n(cnc2C(=
    O)N1)[CH]3O[CH](CO[P](O)(=O)n4ccnc4N)[CH
    ](O)[CH]3O    		 5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]guanosine
    209 ERN
    CHEMBL290242
    ZINC000094303289    		 1 C37 H70 N2 O12 InChI=1S/C37H70N2O12/c1-1
    4-25-37(10,45)30(41)20(4)
    27(38)18(2)16-35(8,44)32(
    51-34-28(40)24(39(11)12)1
    5-19(3)47-34)21(5)29(22(6
    )33(43)49-25)50-26-17-36(
    9,46-13)31(42)23(7)48-26/
    h18-32,34,40-42,44-45H,14
    -17,38H2,1-13H3/t18-,19-,
    20+,21+,22-,23+,24+,25-,2
    6+,27+,28-,29+,30-,31+,32
    -,34+,35-,36-,37-/m1/s1;
    XCLJRCAJSCMIND-JCTYMORFSA-N    		 CCC1C(C(C(C(C(CC(C(C(C(C(C(=O)O1)C)OC2CC
    (C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C
    )O)(C)O)C)N)C)O)(C)O; CC[C@@H]1[C@@]([C@
    @H]([C@H]([C@H]([C@@H](C[C@@]([C@@H]([C@
    H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@](
    [C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H
    ]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)N)C)O
    )(C)O; CC[CH]1OC(=O)[CH](C)[CH](O[CH]2C[
    C](C)(OC)[CH](O)[CH](C)O2)[CH](C)[CH](O[
    CH]3O[CH](C)C[CH]([CH]3O)N(C)C)[C](C)(O)
    C[CH](C)[CH](N)[CH](C)[CH](O)[C]1(C)O; C
    C[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@
    ](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@
    H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)
    C)[C@](C)(O)C[C@@H](C)[C@H](N)[C@H](C)[C
    @@H](O)[C@]1(C)O; O=C3OC(CC)C(O)(C)C(O)C
    (C)C(N)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1
    O)C(C(OC2OC(C(O)C(OC)(C2)C)C)C3C)C    		 (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-AMINO-6-{[(2S,3R,4S,6R)-4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PY RAN-2-YL]OXY}-14-ETHYL-7,12,13-TRIHYDROXY-4-{[(2R,4R,5S,6S)-5-HYDROXY-4-METHOXY-4,6-DIMETHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY }-3,5,7,9,11,13-HEXAMETHYLOXACYCLOTETRADECAN-2-ONE;
    ERYTHROMYCYLAMINE
    210 ERY
    CHEMBL532
    DB00199
    ZINC000085534336    		 26 C37 H67 N O13 InChI=1S/C37H67NO13/c1-14
    -25-37(10,45)30(41)20(4)2
    7(39)18(2)16-35(8,44)32(5
    1-34-28(40)24(38(11)12)15
    -19(3)47-34)21(5)29(22(6)
    33(43)49-25)50-26-17-36(9
    ,46-13)31(42)23(7)48-26/h
    18-26,28-32,34,40-42,44-4
    5H,14-17H2,1-13H3/t18-,19
    -,20+,21+,22-,23+,24+,25-
    ,26+,28-,29+,30-,31+,32-,
    34+,35-,36-,37-/m1/s1;
    ULGZDMOVFRHVEP-RWJQBGPGSA-N    		 O=C3OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC(O)(C)
    C(OC1OC(C)CC(N(C)C)C1O)C(C(OC2OC(C(O)C(O
    C)(C2)C)C)C3C)C)C; CCC1C(C(C(C(=O)C(CC(C
    (C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)
    C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O
    ; CC[CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)
    (OC)[CH](O)[CH](C)O2)[CH](C)[CH](O[CH]3O
    [CH](C)C[CH]([CH]3O)N(C)C)[C](C)(O)C[CH]
    (C)C(=O)[CH](C)[CH](O)[C]1(C)O; CC[C@H]1
    OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC
    )[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@
    @H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](
    C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@
    ]1(C)O; CC[C@@H]1[C@@]([C@@H]([C@H](C(=O
    )[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H]
    (C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2
    )C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](
    O3)C)N(C)C)O)(C)O)C)C)O)(C)O    		 ERYTHROMYCIN A
    211 EUS 2 C20 H39 N5 O9 S InChI=1S/C20H39N5O9S/c1-2
    0(28)8-31-19(14(27)17(20)
    24-2)34-16-12(25-35(3,29)
    30)6-11(23)15(13(16)26)33
    -18-10(22)5-4-9(7-21)32-1
    8/h4,10-19,24-28H,5-8,21-
    23H2,1-3H3/t10-,11+,12-,1
    3+,14-,15-,16+,17-,18-,19
    -,20+/m1/s1;
    YMZLOLIFCOUGLA-CPIRLDNISA-N    		 CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@
    @H]2[C@@H](O)[C@H](O[C@H]3OC(=CC[C@H]3N)
    CN)[C@@H](N)C[C@H]2N[S](C)(=O)=O; CC1(CO
    C(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN
    )N)N)NS(=O)(=O)C)O; CS(=O)(NC2CC(N)C(OC1
    OC(=CCC1N)CN)C(C2OC3C(C(C(C)(CO3)O)NC)O)
    O)=O; CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH
    ]2[CH](O)[CH](O[CH]3OC(=CC[CH]3N)CN)[CH]
    (N)C[CH]2N[S](C)(=O)=O; C[C@@]1(CO[C@@H]
    ([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]
    ([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)C
    N)N)N)NS(=O)(=O)C)O    		 N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]methanesulfonamide
    212 EVN 1 C70 H97 Cl2 N O38 InChI=1S/C70H97Cl2NO38/c1
    -24-15-31(74)16-32(75)40(
    24)61(82)100-36-22-94-70(
    60-53(36)92-23-93-60)108-
    37-21-91-63(46(79)52(37)1
    09-70)106-65-56(89-13)45(
    78)51(35(101-65)20-86-10)
    104-64-47(80)55(50(87-11)
    27(4)97-64)105-66-57(81)6
    8(9)59(30(7)98-66)110-69(
    111-68)18-33(76)48(28(5)1
    07-69)102-38-17-34(99-39-
    19-67(8,73(84)85)58(90-14
    )29(6)96-39)49(26(3)95-38
    )103-62(83)41-25(2)42(71)
    44(77)43(72)54(41)88-12/h
    15-16,26-30,33-39,45-53,5
    5-60,63-66,74-81H,17-23H2
    ,1-14H3/t26-,27-,28-,29+,
    30-,33-,34-,35-,36-,37+,3
    8+,39-,45+,46-,47-,48-,49
    -,50+,51-,52-,53+,55-,56+
    ,57-,58+,59-,60-,63+,64+,
    65+,66+,67+,68-,69-,70-/m
    1/s1;
    UPADRKHAIMTUCC-LRNXXXSBSA-N    		 COC[C@H]1O[C@@H](O[C@@H]2OC[C@@H]3O[C@@]
    4(OC[C@@H](OC(=O)c5c(C)cc(O)cc5O)[C@@H]6
    OCO[C@@H]46)O[C@H]3[C@H]2O)[C@@H](OC)[C@
    @H](O)[C@@H]1O[C@@H]7O[C@H](C)[C@H](OC)[
    C@H](O[C@@H]8O[C@H](C)[C@H]9O[C@]%10(C[C
    @@H](O)[C@H](O[C@H]%11C[C@@H](O[C@@H]%12
    C[C@@](C)([C@@H](OC)[C@H](C)O%12)[N+]([O
    -])=O)[C@H](OC(=O)c%13c(C)c(Cl)c(O)c(Cl)
    c%13OC)[C@@H](C)O%11)[C@@H](C)O%10)O[C@]
    9(C)[C@@H]8O)[C@H]7O; Cc1cc(O)cc(O)c1C(O
    C2COC4(C3C2OCO3)OC5C(O4)C(C(OC5)OC6C(OC)
    C(O)C(C(O6)COC)OC7C(O)C(C(C(O7)C)OC)OC8C
    (O)C9(C(C(O8)C)OC%10(O9)OC(C)C(C(C%10)O)
    OC%11OC(C)C(C(C%11)OC%12OC(C)C(C(C%12)(C
    )[N+]([O-])=O)OC)OC(c%13c(c(c(c(c%13C)Cl
    )O)Cl)OC)=O)C)O)=O; COC[CH]1O[CH](O[CH]2
    OC[CH]3O[C]4(OC[CH](OC(=O)c5c(C)cc(O)cc5
    O)[CH]6OCO[CH]46)O[CH]3[CH]2O)[CH](OC)[C
    H](O)[CH]1O[CH]7O[CH](C)[CH](OC)[CH](O[C
    H]8O[CH](C)[CH]9O[C]%10(C[CH](O)[CH](O[C
    H]%11C[CH](O[CH]%12C[C](C)([CH](OC)[CH](
    C)O%12)[N+]([O-])=O)[CH](OC(=O)c%13c(C)c
    (Cl)c(O)c(Cl)c%13OC)[CH](C)O%11)[CH](C)O
    %10)O[C]9(C)[CH]8O)[CH]7O; Cc1cc(cc(c1C(
    =O)OC2COC3(C4C2OCO4)OC5COC(C(C5O3)O)OC6C
    (C(C(C(O6)COC)OC7C(C(C(C(O7)C)OC)OC8C(C9
    (C(C(O8)C)OC1(O9)CC(C(C(O1)C)OC1CC(C(C(O
    1)C)OC(=O)c1c(c(c(c(c1OC)Cl)O)Cl)C)OC1CC
    (C(C(O1)C)OC)(C)[N+](=O)[O-])O)C)O)O)O)O
    C)O)O; Cc1cc(cc(c1C(=O)O[C@@H]2CO[C@]3([
    C@H]4[C@H]2OCO4)O[C@H]5CO[C@H]([C@@H]([C
    @@H]5O3)O)O[C@H]6[C@H]([C@H]([C@@H]([C@H
    ](O6)COC)O[C@H]7[C@@H]([C@H]([C@H]([C@H]
    (O7)C)OC)O[C@H]8[C@H]([C@@]9([C@@H]([C@H
    ](O8)C)O[C@@]1(O9)C[C@H]([C@@H]([C@H](O1
    )C)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)OC(=O
    )c1c(c(c(c(c1OC)Cl)O)Cl)C)O[C@@H]1C[C@](
    [C@H]([C@@H](O1)C)OC)(C)[N+](=O)[O-])O)C
    )O)O)O)OC)O)O    		 (2R,3R,4R,6S)-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7S,7aR)-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5S,6S)-6-({(2R,3aS,3a'R,6S,7R,7' R,7aS,7a'S)-7'-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-7-hydroxyoctahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}ox y)-4-hydroxy-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-3-hydroxy-5-methoxy-6-methyltetrahydro-2H-pyran-4- yl]oxy}-4',7-dihydroxy-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-4-{[(2R,4S,5R, 6S)-5-methoxy-4,6-dimethyl-4-nitrotetrahydro-2H-pyran-2-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name);
    Evernimicin
    213 EZG 2 C15 H19 N5 O5 InChI=1S/C15H19N5O5/c16-1
    2(5-10-6-17-8-18-10)15(23
    )19-13(7-21)14(22)9-1-3-1
    1(4-2-9)20(24)25/h1-4,6,8
    ,12-14,21-22H,5,7,16H2,(H
    ,17,18)(H,19,23)/t12-,13+
    ,14+/m0/s1;
    MMDMFLDVXHCRMV-BFHYXJOUSA-N    		 c1cc(ccc1C(C(CO)NC(=O)C(Cc2c[nH]cn2)N)O)
    [N+](=O)[O-]; c1cc(ccc1[C@H]([C@@H](CO)N
    C(=O)[C@H](Cc2c[nH]cn2)N)O)[N+](=O)[O-];
    c2(CC(N)C(NC(C(c1ccc([N+]([O-])=O)cc1)O
    )CO)=O)ncnc2; N[C@@H](Cc1c[nH]cn1)C(=O)N
    [C@H](CO)[C@H](O)c2ccc(cc2)[N+]([O-])=O;
    N[CH](Cc1c[nH]cn1)C(=O)N[CH](CO)[CH](O)
    c2ccc(cc2)[N+]([O-])=O    		 N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-L-histidinamide
    214 EZM 2 C15 H24 N4 O5 InChI=1S/C15H24N4O5/c16-8
    -2-1-3-12(17)15(22)18-13(
    9-20)14(21)10-4-6-11(7-5-
    10)19(23)24/h4-7,12-14,20
    -21H,1-3,8-9,16-17H2,(H,1
    8,22)/t12-,13+,14+/m0/s1;
    LSXOPXJWOLKWDK-BFHYXJOUSA-N    		 NCCCC[CH](N)C(=O)N[CH](CO)[CH](O)c1ccc(c
    c1)[N+]([O-])=O; c1cc(ccc1C(C(CO)NC(=O)C
    (CCCCN)N)O)[N+](=O)[O-]; c1cc(ccc1[C@H](
    [C@@H](CO)NC(=O)[C@H](CCCCN)N)O)[N+](=O)
    [O-]; NCCCC[C@H](N)C(=O)N[C@H](CO)[C@H](
    O)c1ccc(cc1)[N+]([O-])=O; c1cc([N+]([O-]
    )=O)ccc1C(O)C(NC(C(N)CCCCN)=O)CO    		 N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-L-lysinamide
    215 EZP 2 C15 H19 N5 O5 InChI=1S/C15H19N5O5/c16-1
    2(5-10-6-17-8-18-10)15(23
    )19-13(7-21)14(22)9-1-3-1
    1(4-2-9)20(24)25/h1-4,6,8
    ,12-14,21-22H,5,7,16H2,(H
    ,17,18)(H,19,23)/t12-,13-
    ,14-/m1/s1;
    MMDMFLDVXHCRMV-MGPQQGTHSA-N    		 c1cc(ccc1C(C(CO)NC(=O)C(Cc2c[nH]cn2)N)O)
    N(=O)=O; N[C@H](Cc1c[nH]cn1)C(=O)N[C@H](
    CO)[C@H](O)c2ccc(cc2)[N](=O)=O; c1cc(N(=
    O)=O)ccc1C(O)C(NC(C(Cc2cncn2)N)=O)CO; c1
    cc(ccc1[C@H]([C@@H](CO)NC(=O)[C@@H](Cc2c
    [nH]cn2)N)O)N(=O)=O; N[CH](Cc1c[nH]cn1)C
    (=O)N[CH](CO)[CH](O)c2ccc(cc2)[N](=O)=O    		 N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-D-histidinamide
    216 F
    DB11257    		 6 F InChI=1S/FH/h1H/p-1;
    KRHYYFGTRYWZRS-UHFFFAOYSA-M    		 [F-] FLUORIDE ION
    217 F86 1 C12 H14 N5 O7 P InChI=1S/C12H14N5O7P/c13-
    4-12(8-2-1-6-11(14)15-5-1
    6-17(6)8)10(19)9(18)7(24-
    12)3-23-25(20,21)22/h1-2,
    5,7,9-10,18-19H,3H2,(H2,1
    4,15,16)(H2,20,21,22)/t7-
    ,9-,10-,12+/m1/s1;
    ZBHOHJWLOOFLMW-LTGWCKQJSA-N    		 OP(=O)(O)OCC1OC(C#N)(C(O)C1O)c1ccc2c(N)n
    cnn21; Nc1ncnn2c1ccc2[C]3(O[CH](CO[P](O)
    (O)=O)[CH](O)[CH]3O)C#N; c1cc(n2c1c(ncn2
    )N)C3(C(C(C(O3)COP(=O)(O)O)O)O)C#N; c1cc
    (n2c1c(ncn2)N)[C@]3([C@@H]([C@@H]([C@H](
    O3)COP(=O)(O)O)O)O)C#N; Nc1ncnn2c1ccc2[C
    @@]3(O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]
    3O)C#N    		 [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate;
    Remdesivir, bound form
    218 FFO
    CHEMBL1908841
    DB11596
    ZINC000009212427    		 4 C20 H23 N7 O7 InChI=1S/C20H23N7O7/c21-2
    0-25-16-15(18(32)26-20)27
    (9-28)12(8-23-16)7-22-11-
    3-1-10(2-4-11)17(31)24-13
    (19(33)34)5-6-14(29)30/h1
    -4,9,12-13,22H,5-8H2,(H,2
    4,31)(H,29,30)(H,33,34)(H
    4,21,23,25,26,32)/t12-,13
    -/m0/s1;
    VVIAGPKUTFNRDU-STQMWFEESA-N    		 NC1=NC2=C(N(C=O)[CH](CNc3ccc(cc3)C(=O)N[
    CH](CCC(O)=O)C(O)=O)CN2)C(=O)N1; c1cc(cc
    c1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C
    =O)C(=O)NC(=N3)N; O=C(O)C(NC(=O)c1ccc(cc
    1)NCC2N(C=O)C=3C(=O)NC(=NC=3NC2)N)CCC(=O
    )O; NC1=NC2=C(N(C=O)[C@@H](CNc3ccc(cc3)C
    (=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1    		 N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid;
    [6S]-5-FORMYL-TETRAHYDROFOLATE;
    6S-FOLINIC ACID
    219 FH8
    ZINC000022054130    		 6 C25 H23 N2 O5 InChI=1S/C25H22N2O5/c1-26
    (2)15-6-9-18-21(12-15)32-
    22-13-16(27(3)4)7-10-19(2
    2)23(18)17-8-5-14(24(28)2
    9)11-20(17)25(30)31/h5-13
    H,1-4H3,(H-,28,29,30,31)/
    p+1;
    YMZMTOFQCVHHFB-UHFFFAOYSA-O    		 CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4ccc(cc4C(O
    )=O)C(O)=O)=[N+](C)C)c1; CN(C)c1ccc2c(c1
    )OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)
    O)C(=O)O    		 5-carboxy methylrhodamine
    220 FME
    DB04464
    ZINC000001529464    		 81 C6 H11 N O3 S InChI=1S/C6H11NO3S/c1-11-
    3-2-5(6(9)10)7-4-8/h4-5H,
    2-3H2,1H3,(H,7,8)(H,9,10)
    /t5-/m0/s1;
    PYUSHNKNPOHWEZ-YFKPBYRVSA-N    		 CSCC[C@H](NC=O)C(O)=O; CSCC[CH](NC=O)C(O
    )=O; O=CNC(C(=O)O)CCSC; CSCCC(C(=O)O)NC=
    O; CSCC[C@@H](C(=O)O)NC=O    		 N-FORMYLMETHIONINE
    221 FMN
    CHEMBL1201794
    DB03247
    ZINC000003831425    		 16 C17 H21 N4 O9 P InChI=1S/C17H21N4O9P/c1-7
    -3-9-10(4-8(7)2)21(15-13(
    18-9)16(25)20-17(26)19-15
    )5-11(22)14(24)12(23)6-30
    -31(27,28)29/h3-4,11-12,1
    4,22-24H,5-6H2,1-2H3,(H,2
    0,25,26)(H2,27,28,29)/t11
    -,12+,14-/m0/s1;
    FVTCRASFADXXNN-SCRDCRAPSA-N    		 Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C
    (C(COP(=O)(O)O)O)O)O; Cc1cc2c(cc1C)N(C3=
    NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](
    COP(=O)(O)O)O)O)O; N=2C(=O)NC(=O)C3=Nc1c
    c(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O
    )O; Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[
    CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C; Cc1cc
    2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[
    C@H](O)CO[P](O)(O)=O)c2cc1C    		 FLAVIN MONONUCLEOTIDE;
    RIBOFLAVIN MONOPHOSPHATE
    222 FMT
    CHEMBL116736
    DB01942    		 1 C H2 O2 InChI=1S/CH2O2/c2-1-3/h1H
    ,(H,2,3);
    BDAGIHXWWSANSR-UHFFFAOYSA-N    		 C(=O)O; OC=O; O=CO FORMIC ACID
    223 FRU
    CHEMBL604608
    ZINC000001529270    		 5 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3-4
    (9)5(10)6(11,2-8)12-3/h3-
    5,7-11H,1-2H2/t3-,4-,5+,6
    -/m1/s1;
    RFSUNEUAIZKAJO-ARQDHWQXSA-N    		 OC1C(O)C(OC1(O)CO)CO; C([C@@H]1[C@H]([C@
    @H]([C@](O1)(CO)O)O)O)O; OC[CH]1O[C](O)(
    CO)[CH](O)[CH]1O; C(C1C(C(C(O1)(CO)O)O)O
    )O; OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1
    O    		 beta-D-fructofuranose;
    beta-D-fructose;
    D-fructose;
    fructose
    224 FSD 2 C29 H42 N6 O9 InChI=1S/C29H42N6O9/c1-15
    -19(44-26-24(38)23(37)22(
    34(4)5)16(2)43-26)10-11-2
    1(42-15)35-13-12-20(33-28
    (35)41)32-25(39)17-6-8-18
    (9-7-17)31-27(40)29(3,30)
    14-36/h6-9,12-13,15-16,19
    ,21-24,26,36-38H,10-11,14
    ,30H2,1-5H3,(H,31,40)(H,3
    2,33,39,41)/t15-,16-,19+,
    21-,22-,23+,24-,26-,29+/m
    1/s1;
    HDNVYHWHCVTDIV-ZENIWSRCSA-N    		 C[C@H]1O[C@H](CC[C@@H]1O[C@H]2O[C@H](C)[
    C@H]([C@H](O)[C@H]2O)N(C)C)N3C=CC(=NC3=O
    )NC(=O)c4ccc(NC(=O)[C@@](C)(N)CO)cc4; CC
    1C(CCC(O1)N2C=CC(=NC2=O)NC(=O)c3ccc(cc3)
    NC(=O)C(C)(CO)N)OC4C(C(C(C(O4)C)N(C)C)O)
    O; C[CH]1O[CH](CC[CH]1O[CH]2O[CH](C)[CH]
    ([CH](O)[CH]2O)N(C)C)N3C=CC(=NC3=O)NC(=O
    )c4ccc(NC(=O)[C](C)(N)CO)cc4; CC1OC(CCC1
    OC2C(C(C(C(C)O2)N(C)C)O)O)N4C=CC(NC(=O)c
    3ccc(cc3)NC(C(C)(CO)N)=O)=NC4=O; C[C@@H]
    1[C@H](CC[C@@H](O1)N2C=CC(=NC2=O)NC(=O)c
    3ccc(cc3)NC(=O)[C@](C)(CO)N)O[C@@H]4[C@@
    H]([C@H]([C@@H]([C@H](O4)C)N(C)C)O)O    		 amicetin;
    (4S)-N-{(4S)-1-[(2R,5S,6R)-5-{[4,6-dideoxy-4-(dimethylamino)-alpha-D-glucopyranosyl]oxy}-6-methyloxan-2-yl]-2-oxo-1,2,3,4-tetrahydropyrimidin-4-yl}-4-[(2-methyl-D-seryl)amino]cyclohexa-1,5-diene-1-carboxamide
    225 FSJ 4 C19 H35 F N4 O7 InChI=1S/C19H35FN4O7/c1-1
    9(27)7-28-18(13(26)16(19)
    24-2)31-15-11(23)5-10(22)
    14(12(15)25)30-17-9(21)4-
    3-8(6-20)29-17/h3,9-18,24
    -27H,4-7,21-23H2,1-2H3/t9
    -,10+,11-,12+,13-,14-,15+
    ,16-,17-,18-,19+/m1/s1;
    WYTHUXIFAFNYLB-YFMIWBNJSA-N    		 C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H
    ]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3
    [C@@H](CC=C(O3)CF)N)N)N)O; CN[CH]1[CH](O
    )[CH](OC[C]1(C)O)O[CH]2[CH](N)C[CH](N)[C
    H](O[CH]3OC(=CC[CH]3N)CF)[CH]2O; CC1(COC
    (C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CF)
    N)N)N)O; C1(OC(=CCC1N)CF)OC2C(CC(C(C2O)O
    C3OCC(C(C3O)NC)(C)O)N)N; CN[C@@H]1[C@@H]
    (O)[C@H](OC[C@]1(C)O)O[C@H]2[C@H](N)C[C@
    H](N)[C@@H](O[C@H]3OC(=CC[C@H]3N)CF)[C@@
    H]2O    		 (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(fluoromethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside;
    6'-fluoro sisomicin
    226 FXQ
    CHEMBL102740
    ZINC000001529581    		 2 C6 H16 N6 InChI=1S/C6H16N6/c7-5(8)1
    1-3-1-2-4-12-6(9)10/h1-4H
    2,(H4,7,8,11)(H4,9,10,12);
    HGMDNMBBCKDWTQ-UHFFFAOYSA-N    		 NC(=N)NCCCCNC(N)=N; [H]/N=C(/N)\NCCCCNC(
    =N)N; C(CCNC(=N)N)CNC(=N)N    		 1-(4-carbamimidamidobutyl)guanidine
    227 FXT
    CHEMBL101996    		 1 C7 H18 N6 InChI=1S/C7H18N6/c8-6(9)1
    2-4-2-1-3-5-13-7(10)11/h1
    -5H2,(H4,8,9,12)(H4,10,11
    ,13);
    FIHKQNOFFQZHRM-UHFFFAOYSA-N    		 [H]/N=C(/N)\NCCCCCNC(=N)N; NC(=N)NCCCCCN
    C(N)=N; C(CCNC(=N)N)CCNC(=N)N    		 1-(5-carbamimidamidopentyl)guanidine
    228 G
    CHEMBL283807
    DB01972
    ZINC000002159505    		 80 C10 H14 N5 O8 P InChI=1S/C10H14N5O8P/c11-
    10-13-7-4(8(18)14-10)12-2
    -15(7)9-6(17)5(16)3(23-9)
    1-22-24(19,20)21/h2-3,5-6
    ,9,16-17H,1H2,(H2,19,20,2
    1)(H3,11,13,14,18)/t3-,5-
    ,6-,9-/m1/s1;
    RQFCJASXJCIDSX-UUOKFMHZSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P]
    (O)(O)=O)[C@@H](O)[C@H]3O; NC1=Nc2n(cnc2
    C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)
    [CH]3O; O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3
    O)COP(=O)(O)O; c1nc2c(n1C3C(C(C(O3)COP(=
    O)(O)O)O)O)N=C(NC2=O)N; c1nc2c(n1[C@H]3[
    C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=
    C(NC2=O)N    		 GUANOSINE-5'-MONOPHOSPHATE
    229 G0B 1 C29 H64 N18 O13 InChI=1S/C29H58N18O13/c30
    -24(31)42-2-7-13(50)15(52
    )10(46-28(38)39)21(55-7)5
    8-18-6(45-27(36)37)1-5(44
    -26(34)35)12(49)20(18)60-
    23-17(54)19(9(4-48)57-23)
    59-22-11(47-29(40)41)16(5
    3)14(51)8(56-22)3-43-25(3
    2)33/h5-23,48-54H,1-4H2,(
    H4,30,31,42)(H4,32,33,43)
    (H4,34,35,44)(H4,36,37,45
    )(H4,38,39,46)(H4,40,41,4
    7)/p+6/t5-,6+,7+,8+,9-,10
    +,11+,12+,13+,14+,15+,16+
    ,17+,18+,19-,20-,21-,22-,
    23+/m1/s1;
    PKRWVRYPYSMBDP-OBAWDCFYSA-T    		 O(C2C(OC1OC(CNC(=[NH2+])\N)C(O)C(O)C1NC(
    =[NH2+])\N)C(NC(=[NH2+])\N)CC(NC(=[NH2+]
    )\N)C2O)C4OC(C(OC3OC(CNC(=[NH2+])\N)C(O)
    C(O)C3NC(=[NH2+])\N)C4O)CO; C1C(C(C(C(C1
    NC(=[NH2+])N)OC2C(C(C(C(O2)CNC(=[NH2+])N
    )O)O)NC(=[NH2+])N)OC3C(C(C(O3)CO)OC4C(C(
    C(C(O4)CNC(=[NH2+])N)O)O)NC(=[NH2+])N)O)
    O)NC(=[NH2+])N; C1[C@H]([C@@H]([C@H]([C@
    H]([C@H]1NC(=[NH2+])N)O[C@@H]2[C@H]([C@@
    H]([C@H]([C@@H](O2)CNC(=[NH2+])N)O)O)NC(
    =[NH2+])N)O[C@H]3[C@H]([C@@H]([C@H](O3)C
    O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C
    NC(=[NH2+])N)O)O)NC(=[NH2+])N)O)O)NC(=[N
    H2+])N; NC(=[NH2+])NC[CH]1O[CH](O[CH]2[C
    H](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](C[C
    H](NC(N)=[NH2+])[CH]3O[CH]4O[CH](CNC(N)=
    [NH2+])[CH](O)[CH](O)[CH]4NC(N)=[NH2+])N
    C(N)=[NH2+])[CH](NC(N)=[NH2+])[CH](O)[CH
    ]1O; NC(=[NH2+])NC[C@@H]1O[C@H](O[C@H]2[
    C@H](O)[C@@H](O[C@@H]2CO)O[C@@H]3[C@@H](
    O)[C@@H](C[C@H](NC(N)=[NH2+])[C@@H]3O[C@
    H]4O[C@@H](CNC(N)=[NH2+])[C@H](O)[C@@H](
    O)[C@@H]4NC(N)=[NH2+])NC(N)=[NH2+])[C@@H
    ](NC(N)=[NH2+])[C@H](O)[C@H]1O
    230 G19
    ZINC000058660879    		 1 C26 H34 N4 O6 InChI=1S/C26H34N4O6/c1-6-
    24(4)12-17(36-23(35)28-22
    (34)15-7-8-18(27)30-29-15
    )25(5)13(2)9-10-26(14(3)2
    1(24)33)11-16(31)19(32)20
    (25)26/h6-10,13-14,16-17,
    20-21,31,33H,1,11-12H2,2-
    5H3,(H2,27,30)(H,28,34,35
    )/t13-,14+,16+,17-,20+,21
    +,24-,25+,26+/m1/s1;
    UQIPGFDHSLPFHW-YEAQTOLVSA-N    		 CC1C=CC23CC(C(=O)C2C1(C(CC(C(C3C)O)(C)C=
    C)OC(=O)NC(=O)c4ccc(nn4)N)C)O; O=C(c1nnc
    (N)cc1)NC(=O)OC4CC(\C=C)(C)C(O)C(C)C23C=
    CC(C)C4(C)C3C(=O)C(O)C2; C[C@@H]1C=C[C@@
    ]23C[C@@H](C(=O)[C@H]2[C@@]1([C@@H](C[C@
    @]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)NC(=O)c
    4ccc(nn4)N)C)O; C[CH]1C=C[C]23C[CH](O)C(
    =O)[CH]2[C]1(C)[CH](C[C](C)(C=C)[CH](O)[
    CH]3C)OC(=O)NC(=O)c4ccc(N)nn4; C[C@@H]1C
    =C[C@@]23C[C@H](O)C(=O)[C@H]2[C@]1(C)[C@
    @H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=
    O)NC(=O)c4ccc(N)nn4    		 (2S,3AR,4R,5S,6S,8R,9R,9AR,10R)-2,5-DIHYDROXY-4,6,9,10-TETRAMETHYL-1-OXO-6-VINYLDECAHYDRO-3A,9-PROP[1]ENOCYCLOPENTA[8]ANNULEN-8-YL [(6-AMINOPYRIDAZIN-3-YL)CARBONYL]CARBAMATE
    231 G2P
    CHEMBL1232908
    DB03532
    ZINC000016051609    		 4 C11 H18 N5 O13 P3 InChI=1S/C11H18N5O13P3/c1
    2-11-14-8-5(9(19)15-11)13
    -2-16(8)10-7(18)6(17)4(28
    -10)1-27-30(20,21)3-31(22
    ,23)29-32(24,25)26/h2,4,6
    -7,10,17-18H,1,3H2,(H,20,
    21)(H,22,23)(H2,24,25,26)
    (H3,12,14,15,19)/t4-,6-,7
    -,10-/m1/s1;
    GXTIEXDFEKYVGY-KQYNXXCUSA-N    		 c1nc2c(n1C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(
    =O)(O)O)O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2
    C(=O)N1)[C@@H]3O[C@H](CO[P@](O)(=O)C[P@]
    (O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O; c1
    nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P
    @](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O)O)N=C
    (NC2=O)N; O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC
    3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O; NC1=Nc2
    n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)C[P
    ](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O    		 PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
    232 G34
    CHEMBL1658
    DB01256
    ZINC000100013500    		 2 C30 H47 N O4 S InChI=1S/C30H47NO4S/c1-7-
    28(4)16-24(35-25(33)17-36
    -22-14-20-8-9-21(15-22)31
    (20)6)29(5)18(2)10-12-30(
    19(3)27(28)34)13-11-23(32
    )26(29)30/h7,18-22,24,26-
    27,34H,1,8-17H2,2-6H3/t18
    -,19+,20-,21+,22-,24-,26+
    ,27+,28-,29+,30+/m1/s1;
    STZYTFJPGGDRJD-NHUWBDDWSA-N    		 O=C1CCC52C1C(C)(C(C)CC2)C(OC(=O)CSC4CC3N
    (C)C(CC3)C4)CC(\C=C)(C)C(O)C5C; CC1CCC23
    CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CS
    C4CC5CCC(C4)N5C)C; C[CH]1CC[C]23CCC(=O)[
    CH]2[C]1(C)[CH](C[C](C)(C=C)[CH](O)[CH]3
    C)OC(=O)CS[CH]4C[CH]5CC[CH](C4)N5C; C[C@
    @H]1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@@H]
    (C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)C
    S[C@H]4C[C@@H]5CC[C@H](C4)N5C; C[C@@H]1C
    C[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@
    ]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4C[C@
    H]5CC[C@@H](C4)N5C)C    		 Retapamulin
    233 G3A
    CHEMBL1232915
    ZINC000085603218    		 6 C20 H27 N10 O17 P3 InChI=1S/C20H27N10O17P3/c
    21-14-8-15(24-3-23-14)29(
    4-25-8)18-12(33)10(31)6(4
    4-18)1-42-48(36,37)46-50(
    40,41)47-49(38,39)43-2-7-
    11(32)13(34)19(45-7)30-5-
    26-9-16(30)27-20(22)28-17
    (9)35/h3-7,10-13,18-19,31
    -34H,1-2H2,(H,36,37)(H,38
    ,39)(H,40,41)(H2,21,23,24
    )(H3,22,27,28,35)/t6-,7-,
    10-,11-,12-,13-,18-,19-/m
    1/s1;
    PMJUJCUPNRCBNP-INFSMZHSSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O
    P(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5N=
    C(NC6=O)N)O)O)O)O)N; NC1=Nc2n(cnc2C(=O)N
    1)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@](O)(=O
    )O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@
    @H]4O)n5cnc6c(N)ncnc56)[C@@H](O)[C@H]3O;
    c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([
    C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@](
    =O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5c
    nc6c5N=C(NC6=O)N)O)O)O)O)N; NC1=Nc2n(cnc
    2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(
    =O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O
    )n5cnc6c(N)ncnc56)[CH](O)[CH]3O    		 GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE
    234 G4A 1 C19 H19 N2 O4 S2 InChI=1S/C19H18N2O4S2/c1-
    20-14-7-2-4-9-16(14)25-18
    (20)13-19-21(11-6-12-27(2
    2,23)24)15-8-3-5-10-17(15
    )26-19/h2-5,7-10,13H,6,11
    -12H2,1H3/p+1;
    AHPYSIGATYXERL-UHFFFAOYSA-O    		 CN\1c2ccccc2O/C1=C\c3[n+](c4ccccc4s3)CCC
    S(=O)(=O)O; c4c3c(O\C(=C/c2sc1ccccc1[n+]
    2CCCS(O)(=O)=O)N3C)ccc4; CN1\C(Oc2ccccc1
    2)=C\c3sc4ccccc4[n+]3CCC[S](O)(=O)=O; CN
    1c2ccccc2OC1=Cc3[n+](c4ccccc4s3)CCCS(=O)
    (=O)O; CN1C(Oc2ccccc12)=Cc3sc4ccccc4[n+]
    3CCC[S](O)(=O)=O    		 2-[(Z)-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium
    235 G4P
    DB04022
    ZINC000008217069    		 10 C10 H17 N5 O17 P4 InChI=1S/C10H17N5O17P4/c1
    1-10-13-7-4(8(17)14-10)12
    -2-15(7)9-5(16)6(30-36(26
    ,27)32-34(21,22)23)3(29-9
    )1-28-35(24,25)31-33(18,1
    9)20/h2-3,5-6,9,16H,1H2,(
    H,24,25)(H,26,27)(H2,18,1
    9,20)(H2,21,22,23)(H3,11,
    13,14,17)/t3-,5-,6-,9-/m1
    /s1;
    BUFLLCUFNHESEH-UUOKFMHZSA-N    		 c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O
    )OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N; NC1=
    Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O
    )(=O)O[P](O)(O)=O)[C@@H](O[P@@](O)(=O)O[
    P](O)(O)=O)[C@H]3O; NC1=Nc2n(cnc2C(=O)N1
    )[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH
    ](O[P](O)(=O)O[P](O)(O)=O)[CH]3O; O=P(O)
    (O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C
    (O)C3OP(=O)(O)OP(=O)(O)O; c1nc2c(n1[C@H]
    3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(
    =O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2
    =O)N    		 GUANOSINE-5',3'-TETRAPHOSPHATE;
    guanosine tetraphosphate;
    ppGpp
    236 G5B 2 C20 H29 Cl2 N O3 InChI=1S/C20H29Cl2NO3/c1-
    10-5-6-15-19(2,3)17(22)13
    (21)9-20(15,4)12(10)8-14(
    24)11-7-16(25)23-18(11)26
    /h11-15,17,24H,1,5-9H2,2-
    4H3,(H,23,25,26)/t11-,12+
    ,13+,14+,15+,17-,20-/m1/s
    1;
    PPKXULKLJJFMKB-RHKPTJIRSA-N    		 CC1(C)[C@H](Cl)[C@@H](Cl)C[C@]2(C)[C@@H]
    (C[C@H](O)[C@H]3CC(=O)NC3=O)C(=C)CC[C@@H
    ]12; CC1(C)[CH](Cl)[CH](Cl)C[C]2(C)[CH](
    C[CH](O)[CH]3CC(=O)NC3=O)C(=C)CC[CH]12;
    C[C@]12C[C@@H]([C@H](C([C@@H]1CCC(=C)[C@
    @H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)(C)C)Cl)
    Cl; CC1(C2CCC(=C)C(C2(CC(C1Cl)Cl)C)CC(C3
    CC(=O)NC3=O)O)C    		 (3~{R})-3-[(1~{S})-2-[(1~{S},4~{a}~{R},6~{S},7~{S},8~{a}~{R})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione
    237 G6M
    CHEMBL5279278    		 1 C16 H19 Cl F N3 O4 InChI=1S/C16H19ClFN3O4/c1
    7-8-15(22)19-9-12-10-21(1
    6(23)25-12)11-1-2-14(13(1
    8)7-11)20-3-5-24-6-4-20/h
    1-2,7,12H,3-6,8-10H2,(H,1
    9,22)/t12-/m0/s1;
    BLEAWUVPPDXJFJ-LBPRGKRZSA-N    		 c1cc(c(cc1N2C[C@@H](OC2=O)CNC(=O)CCl)F)N
    3CCOCC3; c1cc(c(cc1N2CC(OC2=O)CNC(=O)CCl
    )F)N3CCOCC3; Fc1cc(ccc1N2CCOCC2)N3C[CH](
    CNC(=O)CCl)OC3=O; c1c(c(cc(c1)N2C(=O)OC(
    C2)CNC(CCl)=O)F)N3CCOCC3; Fc1cc(ccc1N2CC
    OCC2)N3C[C@H](CNC(=O)CCl)OC3=O    		 2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide;
    oxazolidinone antibiotic LZD-6
    238 G6P
    DB02007
    ZINC000003875375    		 11 C6 H13 O9 P InChI=1S/C6H13O9P/c7-3-2(
    1-14-16(11,12)13)15-6(10)
    5(9)4(3)8/h2-10H,1H2,(H2,
    11,12,13)/t2-,3-,4+,5-,6+
    /m1/s1;
    NBSCHQHZLSJFNQ-DVKNGEFBSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O
    )O)O)OP(=O)(O)O; O[CH]1O[CH](CO[P](O)(O)
    =O)[CH](O)[CH](O)[CH]1O; O[C@H]1O[C@H](C
    O[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O; C
    (C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O; O=P(O)
    (O)OCC1OC(O)C(O)C(O)C1O    		 6-O-phosphono-alpha-D-glucopyranose;
    ALPHA-D-GLUCOSE-6-PHOSPHATE;
    6-O-phosphono-alpha-D-glucose;
    6-O-phosphono-D-glucose;
    6-O-phosphono-glucose
    239 G6V
    CHEMBL5290585    		 1 C16 H18 Cl2 F N3 O4 InChI=1S/C16H18Cl2FN3O4/c
    17-14(18)15(23)20-8-11-9-
    22(16(24)26-11)10-1-2-13(
    12(19)7-10)21-3-5-25-6-4-
    21/h1-2,7,11,14H,3-6,8-9H
    2,(H,20,23)/t11-/m0/s1;
    YEXPTKNKQPHGOQ-NSHDSACASA-N    		 c1cc(c(cc1N2C[C@@H](OC2=O)CNC(=O)C(Cl)Cl
    )F)N3CCOCC3; Fc1cc(ccc1N2CCOCC2)N3C[CH](
    CNC(=O)C(Cl)Cl)OC3=O; c1cc(c(cc1N2CC(OC2
    =O)CNC(=O)C(Cl)Cl)F)N3CCOCC3; c2(N1CC(CN
    C(=O)C(Cl)Cl)OC1=O)cc(c(cc2)N3CCOCC3)F;
    Fc1cc(ccc1N2CCOCC2)N3C[C@H](CNC(=O)C(Cl)
    Cl)OC3=O    		 2,2-dichloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide;
    oxazolidinone antibiotic LZD-5
    240 G7M
    CHEMBL1232939
    DB03593
    ZINC000004096273    		 1 C11 H17 N5 O8 P InChI=1S/C11H16N5O8P/c1-1
    5-3-16(8-5(15)9(19)14-11(
    12)13-8)10-7(18)6(17)4(24
    -10)2-23-25(20,21)22/h3-4
    ,6-7,10,17-18H,2H2,1H3,(H
    4-,12,13,14,19,20,21,22)/
    p+1/t4-,6-,7-,10-/m1/s1;
    AOKQNZVJJXPUQA-KQYNXXCUSA-O    		 C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)CO
    P(=O)(O)O)O)O; C[n+]1cn([CH]2O[CH](CO[P]
    (O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13
    ; O=P(O)(O)OCC1OC(n2c[n+](C)c3c2N=C(N)NC
    3=O)C(O)C1O; C[n+]1cn([C@@H]2O[C@H](CO[P
    ](O)(O)=O)[C@@H](O)[C@H]2O)c3N=C(N)NC(=O
    )c13; C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[
    C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O    		 N7-METHYL-GUANOSINE-5'-MONOPHOSPHATE
    241 G80
    CHEMBL261309
    ZINC000029050999    		 1 C27 H43 N O4 S InChI=1S/C27H43NO4S/c1-6-
    25(4)15-21(32-22(30)16-33
    -19-9-13-28-14-10-19)26(5
    )17(2)7-11-27(18(3)24(25)
    31)12-8-20(29)23(26)27/h6
    ,17-19,21,23-24,28,31H,1,
    7-16H2,2-5H3/t17-,18+,21-
    ,23+,24+,25-,26+,27+/m1/s
    1;
    SFYIAMCXYRXIHH-MLOZCSCMSA-N    		 C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@
    @H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O
    )CSC4CCNCC4)C; C[CH]1CC[C]23CCC(=O)[CH]2
    [C]1(C)[CH](C[C](C)(C=C)[CH](O)[CH]3C)OC
    (=O)CSC4CCNCC4; O=C1CCC42C1C(C)(C(C)CC2)
    C(OC(=O)CSC3CCNCC3)CC(\C=C)(C)C(O)C4C; C
    C1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)O
    C(=O)CSC4CCNCC4)C; C[C@@H]1CC[C@@]23CCC(
    =O)[C@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C
    @@H](O)[C@@H]3C)OC(=O)CSC4CCNCC4    		 (3AS,4R,5S,6S,8R,9R,9AR,10R)-5-HYDROXY-4,6,9,10-TETRAMETHYL-1-OXO-6-VINYLDECAHYDRO-3A,9-PROPANOCYCLOPENTA[8]ANNULEN-8-YL (PIPERIDIN-4-YLTHIO)ACETATE
    242 GAI
    CHEMBL821
    DB00536
    ZINC000008101126    		 25 C H5 N3 InChI=1S/CH5N3/c2-1(3)4/h
    (H5,2,3,4);
    ZRALSGWEFCBTJO-UHFFFAOYSA-N    		 [N@H]=C(N)N; C(=N)(N)N; NC(N)=N GUANIDINE
    243 GAL
    CHEMBL300520
    ZINC000002597049    		 2 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3+,4+,5-,6-/m
    1/s1;
    WQZGKKKJIJFFOK-FPRJBGLDSA-N    		 OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]
    1O; C(C1C(C(C(C(O1)O)O)O)O)O; OC[CH]1O[C
    H](O)[CH](O)[CH](O)[CH]1O; OC1C(O)C(OC(O
    )C1O)CO; C([C@@H]1[C@@H]([C@@H]([C@H]([C
    @@H](O1)O)O)O)O)O    		 beta-D-galactopyranose;
    beta-D-galactose;
    D-galactose;
    galactose
    244 GCP
    DB03725
    ZINC000008220535    		 1 C11 H18 N5 O13 P3 InChI=1S/C11H18N5O13P3/c1
    2-11-14-8-5(9(19)15-11)13
    -2-16(8)10-7(18)6(17)4(28
    -10)1-27-32(25,26)29-31(2
    3,24)3-30(20,21)22/h2,4,6
    -7,10,17-18H,1,3H2,(H,23,
    24)(H,25,26)(H2,20,21,22)
    (H3,12,14,15,19)/t4-,6-,7
    -,10-/m1/s1;
    PHBDHXOBFUBCJD-KQYNXXCUSA-N    		 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO
    [P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N
    =C(NC2=O)N; c1nc2c(n1C3C(C(C(O3)COP(=O)(
    O)OP(=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N; N
    C1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(
    =O)O[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O
    ; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[
    P@@](O)(=O)O[P@@](O)(=O)C[P](O)(O)=O)[C@
    @H](O)[C@H]3O; O=P(O)(O)CP(=O)(O)OP(=O)(
    O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O    		 PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
    245 GDE
    CHEMBL288114
    ZINC000000001504    		 1 C7 H6 O5 InChI=1S/C7H6O5/c8-4-1-3(
    7(11)12)2-5(9)6(4)10/h1-2
    ,8-10H,(H,11,12);
    LNTHITQWFMADLM-UHFFFAOYSA-N    		 c1c(cc(c(c1O)O)O)C(=O)O; OC(=O)c1cc(O)c(
    O)c(O)c1; O=C(O)c1cc(O)c(O)c(O)c1    		 3,4,5-trihydroxybenzoic acid;
    Gallate
    246 GDP
    CHEMBL384759
    DB04315
    ZINC000008215481    		 6 C10 H15 N5 O11 P2 InChI=1S/C10H15N5O11P2/c1
    1-10-13-7-4(8(18)14-10)12
    -2-15(7)9-6(17)5(16)3(25-
    9)1-24-28(22,23)26-27(19,
    20)21/h2-3,5-6,9,16-17H,1
    H2,(H,22,23)(H2,19,20,21)
    (H3,11,13,14,18)/t3-,5-,6
    -,9-/m1/s1;
    QGWNDRXFNXRZMB-UUOKFMHZSA-N    		 c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O
    )O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[
    C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C
    @@H](O)[C@H]3O; NC1=Nc2n(cnc2C(=O)N1)[CH
    ]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)
    [CH]3O; O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c
    2N=C(N)NC1=O)C(O)C3O; c1nc2c(n1[C@H]3[C@
    @H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(
    O)O)O)O)N=C(NC2=O)N    		 GUANOSINE-5'-DIPHOSPHATE
    247 GDZ
    CHEMBL4544881    		 2 C21 H21 F N6 O InChI=1S/C21H21FN6O/c1-14
    -11-27-12-15(9-17(22)21(2
    7)23-14)18-10-20(29)28-13
    -16(3-4-19(28)24-18)26-7-
    5-25(2)6-8-26/h3-4,9-13H,
    5-8H2,1-2H3;
    OCIABPGRNCLBEI-UHFFFAOYSA-N    		 Cc1cn2cc(cc(c2n1)F)C3=CC(=O)N4C=C(C=CC4=
    N3)N5CCN(CC5)C; CN1CCN(CC1)C2=CN3C(=O)C=
    C(N=C3C=C2)c4cn5cc(C)nc5c(F)c4    		 2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;
    SMN-C5
    248 GE1 1 C6 H14 N2 O2 InChI=1S/C6H14N2O2/c7-3-4
    -1-2-5(8)6(9)10-4/h4-6,9H
    ,1-3,7-8H2/t4-,5+,6-/m0/s
    1;
    FGFITZOBEYBNGG-JKUQZMGJSA-N    		 NC[C@@H]1CC[C@@H](N)[C@@H](O)O1; NC[CH]1
    CC[CH](N)[CH](O)O1; OC1OC(CN)CCC1N; C1C[
    C@H]([C@H](O[C@@H]1CN)O)N; C1CC(C(OC1CN)
    O)N    		 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose;
    3,4-DIDEOXY-2,6-AMINO-ALPHA-D GALACTOPYRANOSE;
    2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexose;
    2,6-diamino-2,3,4,6-tetradeoxy-D-erythro-hexose;
    2,6-diamino-2,3,4,6-tetradeoxy-erythro-hexose
    249 GE2 1 C6 H14 N2 O InChI=1S/C6H14N2O/c7-4-1-
    5(8)3-6(9)2-4/h4-6,9H,1-3
    ,7-8H2/t4-,5+,6-;
    ORKQZIAHTZABIG-FPFOFBBKSA-N    		 C1[C@H](CC(C[C@H]1N)O)N; OC1CC(N)CC(N)C1
    ; C1C(CC(CC1N)O)N; N[C@@H]1C[C@H](N)C[C@
    H](O)C1; N[CH]1C[CH](N)C[CH](O)C1    		 3,5-DIAMINO-CYCLOHEXANOL
    250 GE3 1 C7 H15 N O4 InChI=1S/C7H15NO4/c1-7(11
    )3-12-6(10)4(9)5(7)8-2/h4
    -6,8-11H,3H2,1-2H3/t4-,5-
    ,6+,7+/m1/s1;
    VXWORWYFOFDZLY-JWXFUTCRSA-N    		 CC1(COC(C(C1NC)O)O)O; CN[C@@H]1[C@@H](O)
    [C@@H](O)OC[C@]1(C)O; CN[CH]1[CH](O)[CH]
    (O)OC[C]1(C)O; OC1C(NC)C(O)(COC1O)C; C[C
    @@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O)O    		 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranose;
    5-METHYL-4-METHYLAMINO-TETRAHYDRO-PYRAN-2,3,5-TRIOL;
    3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinose;
    3-deoxy-4-C-methyl-3-(methylamino)-L-arabinose;
    3-deoxy-4-C-methyl-3-(methylamino)-arabinose
    251 GE6
    CHEMBL3818050    		 1 C10 H15 F N3 O15 P3 InChI=1S/C10H15FN3O15P3/c
    11-4-1-14(9(18)5(13-4)8(1
    2)17)10-7(16)6(15)3(27-10
    )2-26-31(22,23)29-32(24,2
    5)28-30(19,20)21/h1,3,6-7
    ,10,15-16H,2H2,(H2,12,17)
    (H,22,23)(H,24,25)(H2,19,
    20,21)/t3-,6-,7-,10-/m1/s
    1;
    UUKPXXBDUCDZDA-KAFVXXCXSA-N    		 C1=C(N=C(C(=O)N1C2C(C(C(O2)COP(=O)(O)OP(
    =O)(O)OP(=O)(O)O)O)O)C(=O)N)F; NC(=O)C1=
    NC(=CN([C@@H]2O[C@H](CO[P](O)(=O)O[P](O)
    (=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O)C1=O)F
    ; C1=C(N=C(C(=O)N1[C@H]2[C@@H]([C@@H]([C
    @H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
    )C(=O)N)F; NC(=O)C1=NC(=CN([CH]2O[CH](CO
    [P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O
    )[CH]2O)C1=O)F    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
    252 GET
    CHEMBL215226
    DB04263
    ZINC000043543817    		 66 C20 H40 N4 O10 InChI=1S/C20H40N4O10/c1-6
    (25)14-11(27)10(26)9(23)1
    8(32-14)33-15-7(21)4-8(22
    )16(12(15)28)34-19-13(29)
    17(24-3)20(2,30)5-31-19/h
    6-19,24-30H,4-5,21-23H2,1
    -3H3/t6-,7+,8-,9-,10-,11+
    ,12+,13-,14-,15-,16+,17-,
    18-,19-,20+/m1/s1;
    BRZYSWJRSDMWLG-DJWUNRQOSA-N    		 C[C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O
    1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[
    C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N
    )N)N)O)O)O; CN[CH]1[CH](O)[CH](OC[C]1(C)
    O)O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](
    [CH](C)O)[CH](O)[CH](O)[CH]3N)[CH]2O; CC
    (C1C(C(C(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3
    )(C)O)NC)O)N)N)N)O)O)O; O(C2C(O)C(OC1OC(
    C(O)C)C(O)C(O)C1N)C(N)CC2N)C3OCC(O)(C(NC
    )C3O)C; CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(
    C)O)O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H
    ]3O[C@H]([C@@H](C)O)[C@@H](O)[C@H](O)[C@
    H]3N)[C@@H]2O    		 GENETICIN;
    G418
    253 GH3
    CHEMBL480707
    ZINC000031430873    		 2 C10 H16 N5 O13 P3 InChI=1S/C10H16N5O13P3/c1
    1-10-13-7-6(8(17)14-10)12
    -3-15(7)9-5(16)1-4(26-9)2
    -25-30(21,22)28-31(23,24)
    27-29(18,19)20/h3-5,9,16H
    ,1-2H2,(H,21,22)(H,23,24)
    (H2,18,19,20)(H3,11,13,14
    ,17)/t4-,5+,9+/m0/s1;
    QGYIFQKZZSSUCR-OBXARNEKSA-N    		 c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO[P@](=
    O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)
    N; O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2c
    nc1c2N=C(N)NC1=O)C(O)C3; NC1=Nc2n(cnc2C(
    =O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)
    O[P](O)(O)=O)C[CH]3O; NC1=Nc2n(cnc2C(=O)
    N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)
    (=O)O[P](O)(O)=O)C[C@H]3O; c1nc2c(n1C3C(
    CC(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=
    C(NC2=O)N    		 3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE
    254 GIR
    CHEMBL1171272
    ZINC000017192049    		 1 C6 H11 Cl N4 O InChI=1S/C6H11ClN4O/c7-3(
    1-8)5(12)4-2-10-6(9)11-4/
    h2-3,5,12H,1,8H2,(H3,9,10
    ,11)/t3-,5+/m0/s1;
    YILCGOCHVFQMTC-WVZVXSGGSA-N    		 c1c([nH]c(n1)N)C(C(CN)Cl)O; NC[C@H](Cl)[
    C@@H](O)c1[nH]c(N)nc1; NC[CH](Cl)[CH](O)
    c1[nH]c(N)nc1; ClC(C(O)c1cnc(N)n1)CN; c1
    c([nH]c(n1)N)[C@@H]([C@H](CN)Cl)O    		 GIRODAZOLE
    255 GLC
    CHEMBL423707
    ZINC000003861213    		 2 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3-,4+,5-,6+/m
    1/s1;
    WQZGKKKJIJFFOK-DVKNGEFBSA-N    		 C(C1C(C(C(C(O1)O)O)O)O)O; C([C@@H]1[C@H]
    ([C@@H]([C@H]([C@H](O1)O)O)O)O)O; OC[CH]
    1O[CH](O)[CH](O)[CH](O)[CH]1O; OC[C@H]1O
    [C@H](O)[C@H](O)[C@@H](O)[C@@H]1O; OC1C(
    O)C(OC(O)C1O)CO    		 alpha-D-glucopyranose;
    alpha-D-glucose;
    D-glucose;
    glucose
    256 GLN
    CHEMBL930
    DB00130
    ZINC000001532526    		 10 C5 H10 N2 O3 InChI=1S/C5H10N2O3/c6-3(5
    (9)10)1-2-4(7)8/h3H,1-2,6
    H2,(H2,7,8)(H,9,10)/t3-/m
    0/s1;
    ZDXPYRJPNDTMRX-VKHMYHEASA-N    		 C(CC(=O)N)C(C(=O)O)N; C(CC(=O)N)[C@@H](C
    (=O)O)N; O=C(N)CCC(N)C(=O)O; N[CH](CCC(N
    )=O)C(O)=O; N[C@@H](CCC(N)=O)C(O)=O    		 GLUTAMINE
    257 GLP
    DB02657
    ZINC000004097103    		 24 C6 H14 N O8 P InChI=1S/C6H14NO8P/c7-3-5
    (9)4(8)2(15-6(3)10)1-14-1
    6(11,12)13/h2-6,8-10H,1,7
    H2,(H2,11,12,13)/t2-,3-,4
    -,5-,6+/m1/s1;
    XHMJOUIAFHJHBW-UKFBFLRUSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N
    )O)O)OP(=O)(O)O; N[CH]1[CH](O)O[CH](CO[P
    ](O)(O)=O)[CH](O)[CH]1O; C(C1C(C(C(C(O1)
    O)N)O)O)OP(=O)(O)O; N[C@H]1[C@@H](O)O[C@
    H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O; O=P(
    O)(O)OCC1OC(O)C(N)C(O)C1O    		 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose;
    GLUCOSAMINE 6-PHOSPHATE;
    6-O-phosphono-alpha-D-glucosamine;
    2-amino-2-deoxy-6-O-phosphono-alpha-D-glucose;
    2-amino-2-deoxy-6-O-phosphono-D-glucose;
    2-amino-2-deoxy-6-O-phosphono-glucose
    258 GLY
    CHEMBL773
    DB00145
    ZINC000004658552    		 17 C2 H5 N O2 InChI=1S/C2H5NO2/c3-1-2(4
    )5/h1,3H2,(H,4,5);
    DHMQDGOQFOQNFH-UHFFFAOYSA-N    		 C(C(=O)O)N; NCC(O)=O; O=C(O)CN GLYCINE
    259 GMI 2 C13 H21 N4 O6 P2 S InChI=1S/C13H20N4O6P2S/c1
    -9-12(3-4-23-25(21,22)8-2
    4(18,19)20)26-7-17(9)6-11
    -5-15-10(2)16-13(11)14/h5
    ,7H,3-4,6,8H2,1-2H3,(H4-,
    14,15,16,18,19,20,21,22)/
    p+1;
    NSFCGDWNWBEOER-UHFFFAOYSA-O    		 Cc1ncc(C[n+]2csc(CCO[P](O)(=O)C[P](O)(O)
    =O)c2C)c(N)n1; O=P(O)(O)CP(=O)(O)OCCc1sc
    [n+](Cc2cnc(C)nc2N)c1C; Cc1c(sc[n+]1Cc2c
    nc(nc2N)C)CCOP(=O)(CP(=O)(O)O)O    		 [2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-oxidanyl-phosphoryl]methylphosphonic acid
    260 GMP
    CHEMBL375655
    DB02857
    ZINC000001550030    		 3 C10 H13 N5 O5 InChI=1S/C10H13N5O5/c11-1
    0-13-7-4(8(19)14-10)12-2-
    15(7)9-6(18)5(17)3(1-16)2
    0-9/h2-3,5-6,9,16-18H,1H2
    ,(H3,11,13,14,19)/t3-,5-,
    6-,9-/m1/s1;
    NYHBQMYGNKIUIF-UUOKFMHZSA-N    		 c1nc2c(n1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N;
    NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C
    @@H](O)[C@H]3O; O=C1c2ncn(c2N=C(N)N1)C3O
    C(C(O)C3O)CO; c1nc2c(n1[C@H]3[C@@H]([C@@
    H]([C@H](O3)CO)O)O)N=C(NC2=O)N; NC1=Nc2n
    (cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O)[CH]3O    		 GUANOSINE
    261 GND 2 C6 H15 N4 O2 InChI=1S/C6H14N4O2/c7-4(5
    (11)12)2-1-3-10-6(8)9/h4H
    ,1-3,7H2,(H,11,12)(H4,8,9
    ,10)/p+1/t4-/m0/s1;
    ODKSFYDXXFIFQN-BYPYZUCNSA-O    		 [H]/N=C(/N)\NCCC[C@@H](C(=O)O)[NH3+]; [H
    ]N=C(N)NCCCC(C(=O)O)[NH3+]; O=C(O)C(CCCN
    C(=[N@H])N)[NH3+]; NC(=N)NCCC[CH]([NH3+]
    )C(O)=O; NC(=N)NCCC[C@H]([NH3+])C(O)=O    		 2-AMINO-5-GUANIDINO-PENTANOIC ACID;
    L-argininium(2+);
    L-argininediium
    262 GNG
    CHEMBL68908
    ZINC000000404256    		 14 C10 H13 N5 O4 InChI=1S/C10H13N5O4/c11-1
    0-13-8-7(9(18)14-10)12-3-
    15(8)6-1-4(17)5(2-16)19-6
    /h3-6,16-17H,1-2H2,(H3,11
    ,13,14,18)/t4-,5+,6+/m0/s
    1;
    YKBGVTZYEHREMT-KVQBGUIXSA-N    		 c1nc2c(n1C3CC(C(O3)CO)O)NC(=NC2=O)N; O=C
    3N=C(N)Nc1c3ncn1C2OC(C(O)C2)CO; NC1=NC(=
    O)c2ncn([CH]3C[CH](O)[CH](CO)O3)c2N1; c1
    nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)NC(=N
    C2=O)N; NC1=NC(=O)c2ncn([C@H]3C[C@H](O)[
    C@@H](CO)O3)c2N1    		 2'-DEOXY-GUANOSINE
    263 GNP
    CHEMBL1233085
    DB02082
    ZINC000037868676    		 2 C10 H17 N6 O13 P3 InChI=1S/C10H17N6O13P3/c1
    1-10-13-7-4(8(19)14-10)12
    -2-16(7)9-6(18)5(17)3(28-
    9)1-27-32(25,26)29-31(23,
    24)15-30(20,21)22/h2-3,5-
    6,9,17-18H,1H2,(H,25,26)(
    H3,11,13,14,19)(H4,15,20,
    21,22,23,24)/t3-,5-,6-,9-
    /m1/s1;
    UQABYHGXWYXDTK-UUOKFMHZSA-N    		 O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1
    c2N=C(N)NC1=O)C(O)C3O; c1nc2c(n1[C@H]3[C
    @@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@]
    (=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N; c1nc2
    c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O
    )O)O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)
    N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)
    (=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O; NC1=N
    c2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O
    [P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O    		 PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
    264 GOL
    CHEMBL692
    DB09462
    ZINC000000895048    		 39 C3 H8 O3 InChI=1S/C3H8O3/c4-1-3(6)
    2-5/h3-6H,1-2H2;
    PEDCQBHIVMGVHV-UHFFFAOYSA-N    		 C(C(CO)O)O; OCC(O)CO GLYCEROL;
    GLYCERIN;
    PROPANE-1,2,3-TRIOL
    265 GP3
    DB03931
    ZINC000085426282    		 15 C20 H27 N10 O18 P3 InChI=1S/C20H27N10O18P3/c
    21-19-25-13-7(15(35)27-19
    )23-3-29(13)17-11(33)9(31
    )5(45-17)1-43-49(37,38)47
    -51(41,42)48-50(39,40)44-
    2-6-10(32)12(34)18(46-6)3
    0-4-24-8-14(30)26-20(22)2
    8-16(8)36/h3-6,9-12,17-18
    ,31-34H,1-2H2,(H,37,38)(H
    ,39,40)(H,41,42)(H3,21,25
    ,27,35)(H3,22,26,28,36)/t
    5-,6-,9-,10-,11-,12-,17-,
    18-/m1/s1;
    AAXYAFFKOSNMEB-MHARETSRSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@
    ](O)(=O)O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H
    ]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6C(=O)NC(
    =Nc56)N)[C@@H](O)[C@H]3O; c1nc2c(n1[C@H]
    3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP
    (=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H](
    [C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=
    C(NC2=O)N; c1nc2c(n1C3C(C(C(O3)COP(=O)(O
    )OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5
    N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N; NC1=Nc2
    n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P
    ](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[
    CH]4O)n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3
    O    		 DIGUANOSINE-5'-TRIPHOSPHATE
    266 GTP
    CHEMBL1233147
    DB04137
    ZINC000060094177    		 108 C10 H16 N5 O14 P3 InChI=1S/C10H16N5O14P3/c1
    1-10-13-7-4(8(18)14-10)12
    -2-15(7)9-6(17)5(16)3(27-
    9)1-26-31(22,23)29-32(24,
    25)28-30(19,20)21/h2-3,5-
    6,9,16-17H,1H2,(H,22,23)(
    H,24,25)(H2,19,20,21)(H3,
    11,13,14,18)/t3-,5-,6-,9-
    /m1/s1;
    XKMLYUALXHKNFT-UUOKFMHZSA-N    		 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO
    [P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=
    C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O
    [C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=
    O)[C@@H](O)[C@H]3O; NC1=Nc2n(cnc2C(=O)N1
    )[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](
    O)(O)=O)[CH](O)[CH]3O; c1nc2c(n1C3C(C(C(
    O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C
    (NC2=O)N; O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC
    3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O    		 GUANOSINE-5'-TRIPHOSPHATE
    267 GUN
    CHEMBL219568
    DB02377
    ZINC000000895129    		 29 C5 H5 N5 O InChI=1S/C5H5N5O/c6-5-9-3
    -2(4(11)10-5)7-1-8-3/h1H,
    (H4,6,7,8,9,10,11);
    UYTPUPDQBNUYGX-UHFFFAOYSA-N    		 NC1=Nc2[nH]cnc2C(=O)N1; O=C1c2ncnc2N=C(N
    1)N; c1[nH]c2c(n1)C(=O)NC(=N2)N    		 GUANINE
    268 GZ4 2 C21 H21 N4 O2 InChI=1S/C21H20N4O2/c1-13
    -11-16-17(12-14(13)2)25(1
    0-6-9-15-7-4-3-5-8-15)19-
    18(22-16)20(26)24-21(27)2
    3-19/h3-5,7-8,11-12H,6,9-
    10H2,1-2H3,(H,24,26,27)/p
    +1;
    LVUMBLZQGDFTPC-UHFFFAOYSA-O    		 c13C(NC(=O)Nc1[n+](c2cc(C)c(cc2n3)C)CCCc
    4ccccc4)=O; Cc1cc2c(cc1C)[n+](c3c(n2)C(=
    O)NC(=O)N3)CCCc4ccccc4; Cc1cc2nc3C(=O)NC
    (=O)Nc3[n+](CCCc4ccccc4)c2cc1C    		 7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium
    269 GZ6 8 C H6 N3 InChI=1S/CH5N3/c2-1(3)4/h
    (H5,2,3,4)/p+1;
    ZRALSGWEFCBTJO-UHFFFAOYSA-O    		 C(=[NH2+])(N)N; NC(N)=[NH2+]; C(\N)(N)=[
    NH2+]    		 Guanidinium
    270 GZ7 2 C23 H30 N5 O4 InChI=1S/C23H29N5O4/c1-14
    -12-17-18(13-16(14)24-15-
    8-5-6-9-15)28(11-7-3-2-4-
    10-19(29)30)21-20(25-17)2
    2(31)27-23(32)26-21/h12-1
    3,15H,2-11H2,1H3,(H3,24,2
    6,27,29,30,31,32)/p+1;
    AJTKEKBUVMMJJR-UHFFFAOYSA-O    		 c1(c2c(nc(n1)O)[n+](CCCCCCC(=O)O)c3cc(c(
    cc3n2)C)NC4CCCC4)O; Cc1cc2c(cc1NC3CCCC3)
    [n+](c4c(n2)c(nc(n4)O)O)CCCCCCC(=O)O; Cc
    1cc2nc3c(O)nc(O)nc3[n+](CCCCCCC(O)=O)c2c
    c1NC4CCCC4    		 10-(6-carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium
    271 GZG 2 C25 H27 N5 O4 InChI=1S/C25H27N5O4/c1-16
    -13-19-20(14-17(16)2)30(2
    3-22(26-19)24(33)28-25(34
    )27-23)12-11-29(10-6-9-21
    (31)32)15-18-7-4-3-5-8-18
    /h3-5,7-8,13-14H,6,9-12,1
    5H2,1-2H3,(H,31,32)(H,28,
    33,34);
    UHJZDXGBGFJXSS-UHFFFAOYSA-N    		 Cc1cc2N=C3C(=O)NC(=O)N=C3N(CCN(CCCC(O)=O
    )Cc4ccccc4)c2cc1C; Cc1cc2c(cc1C)N(C3=NC(
    =O)NC(=O)C3=N2)CCN(CCCC(=O)O)Cc4ccccc4;
    C(N(Cc1ccccc1)CCCC(=O)O)CN3c4c(N=C2C(NC(
    =O)N=C23)=O)cc(c(c4)C)C    		 4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]amino}butanoic acid
    272 H4B
    CHEMBL1201774
    DB00360
    ZINC000013585233    		 4 C9 H15 N5 O3 InChI=1S/C9H15N5O3/c1-3(1
    5)6(16)4-2-11-7-5(12-4)8(
    17)14-9(10)13-7/h3-4,6,12
    ,15-16H,2H2,1H3,(H4,10,11
    ,13,14,17)/t3-,4+,6-/m0/s
    1;
    FNKQXYHWGSIFBK-RPDRRWSUSA-N    		 O=C1C=2NC(CNC=2N=C(N1)N)C(O)C(O)C; CC(C(
    C1CNC2=C(N1)C(=O)NC(=N2)N)O)O; C[C@@H]([
    C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O;
    C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N
    C(=N2)N; C[CH](O)[CH](O)[CH]1CNC2=C(N1)C
    (=O)NC(=N2)N    		 5,6,7,8-TETRAHYDROBIOPTERIN
    273 H8Q 2 C53 H67 N9 O10 S InChI=1S/C53H67N9O10S/c1-
    6-37-50(68)61-23-11-14-38
    (61)51(69)59(5)40(26-32-1
    6-18-36(19-17-32)58(3)4)5
    2(70)62-28-35(30-73-43-29
    -60-24-20-33(43)21-25-60)
    42(64)27-39(62)47(65)57-4
    5(34-12-8-7-9-13-34)53(71
    )72-31(2)44(48(66)55-37)5
    6-49(67)46-41(63)15-10-22
    -54-46/h7-10,12-13,15-19,
    22,31,33,35,37-40,43-45,6
    3H,6,11,14,20-21,23-30H2,
    1-5H3,(H,55,66)(H,56,67)(
    H,57,65)/t31-,35+,37+,38+
    ,39-,40-,43+,44-,45-/m0/s
    1;
    WTHRRGMBUAHGNI-QGNGWGIWSA-N    		 CC[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N([C@H](C
    (=O)N3C[C@@H](C(=O)C[C@H]3C(=O)N[C@H](C(
    =O)O[C@H]([C@@H](C(=O)N1)NC(=O)c4c(cccn4
    )O)C)c5ccccc5)CS[C@@H]6CN7CCC6CC7)Cc8ccc
    (cc8)N(C)C)C; CC[CH]1NC(=O)[CH](NC(=O)c2
    ncccc2O)[CH](C)OC(=O)[CH](NC(=O)[CH]3CC(
    =O)[CH](CS[CH]4CN5CCC4CC5)CN3C(=O)[CH](C
    c6ccc(cc6)N(C)C)N(C)C(=O)[CH]7CCCN7C1=O)
    c8ccccc8; CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)
    N3CC(C(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)N
    C(=O)c4c(cccn4)O)C)c5ccccc5)CSC6CN7CCC6C
    C7)Cc8ccc(cc8)N(C)C)C; CC[C@H]1NC(=O)[C@
    @H](NC(=O)c2ncccc2O)[C@H](C)OC(=O)[C@@H]
    (NC(=O)[C@@H]3CC(=O)[C@@H](CS[C@@H]4CN5C
    CC4CC5)CN3C(=O)[C@H](Cc6ccc(cc6)N(C)C)N(
    C)C(=O)[C@H]7CCCN7C1=O)c8ccccc8    		 ~{N}-[(3~{S},6~{R},12~{R},15~{S},16~{S},19~{S},22~{S},25~{S})-25-[[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptakis(oxidanylidene)-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-oxidanyl-pyridine-2-carboxamide;
    quinupristin
    274 H8T 1 C28 H33 N3 O7 InChI=1S/C28H33N3O7/c1-17
    (2)26-19(4)9-10-24(34)29-
    11-5-7-18(3)13-20(32)14-2
    1(33)15-25-30-22(16-37-25
    )27(35)31-12-6-8-23(31)28
    (36)38-26/h5-10,12-13,16-
    17,19-20,26,32H,11,14-15H
    2,1-4H3,(H,29,34)/b7-5+,1
    0-9+,18-13+/t19-,20-,26-/
    m1/s1;
    CNTGCXRBDCXZRN-FQTGFAPKSA-N    		 C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=
    O)Cc2nc(co2)C(=O)n3cccc3C(=O)O[C@@H]1C(C
    )C)O)/C; CC1C=CC(=O)NCC=CC(=CC(CC(=O)Cc2
    nc(co2)C(=O)n3cccc3C(=O)OC1C(C)C)O)C; CC
    (C)[CH]1OC(=O)c2cccn2C(=O)c3coc(CC(=O)C[
    CH](O)C=C(C)C=CCNC(=O)C=C[CH]1C)n3; CC(C
    )[C@H]1OC(=O)c2cccn2C(=O)c3coc(CC(=O)C[C
    @H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@H]1C)n3    		 Virginiamycin M
    275 HCU 2 C10 H16 N5 O6 P InChI=1S/C10H16N5O6P/c11-
    10-13-8-7(9(17)14-10)12-5
    -15(8)2-1-6(3-16)4-21-22(
    18,19)20/h5-6,16H,1-4H2,(
    H2,18,19,20)(H3,11,13,14,
    17)/t6-/m1/s1;
    BLURMGIBVBRPQT-ZCFIWIBFSA-N    		 c1nc2c(n1CC[C@H](CO)COP(=O)(O)O)NC(=NC2=
    O)N; c1nc2c(n1CCC(CO)COP(=O)(O)O)NC(=NC2
    =O)N; NC1=NC(=O)c2ncn(CC[CH](CO)CO[P](O)
    (O)=O)c2N1; NC1=NC(=O)c2ncn(CC[C@H](CO)C
    O[P](O)(O)=O)c2N1    		 [(2R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate;
    Penciclovir phosphate
    276 HEZ
    CHEMBL458616
    DB02210
    ZINC000001555566    		 1 C6 H14 O2 InChI=1S/C6H14O2/c7-5-3-1
    -2-4-6-8/h7-8H,1-6H2;
    XXMIOPMDWAUFGU-UHFFFAOYSA-N    		 C(CCCO)CCO; OCCCCCCO HEXANE-1,6-DIOL
    277 HG 8 Hg InChI=1S/Hg/q+2;
    BQPIGGFYSBELGY-UHFFFAOYSA-N    		 [Hg++]; [Hg+2] MERCURY (II) ION
    278 HGR
    ZINC000263620693    		 17 C23 H29 N O12 InChI=1S/C23H29NO12/c1-8(
    22(32)24-13-14(27)16(29)2
    1-20(15(13)28)33-7-34-21)
    5-10-3-4-12(11(26)6-10)35
    -23-18(31)17(30)19(36-23)
    9(2)25/h4-6,13-21,23,27-3
    1H,3,7H2,1-2H3,(H,24,32)/
    b8-5+/t13-,14+,15-,16-,17
    +,18+,19-,20+,21-,23-/m1/
    s1;
    LDTRVHIISSLXOQ-IIHALWDASA-N    		 CC(=O)[C@H]1O[C@@H](OC2=CCC(=CC2=O)/C=C(
    C)/C(=O)N[C@@H]3[C@H](O)[C@@H](O)[C@H]4O
    CO[C@H]4[C@@H]3O)[C@@H](O)[C@@H]1O; CC(=
    CC1=CC(=O)C(=CC1)OC2C(C(C(O2)C(=O)C)O)O)
    C(=O)NC3C(C(C4C(C3O)OCO4)O)O; C/C(=C\C1=
    CC(=O)C(=CC1)O[C@H]2[C@H]([C@@H]([C@H](O
    2)C(=O)C)O)O)/C(=O)N[C@@H]3[C@@H]([C@H](
    [C@@H]4[C@H]([C@@H]3O)OCO4)O)O; CC(=O)[C
    H]1O[CH](OC2=CCC(=CC2=O)C=C(C)C(=O)N[CH]
    3[CH](O)[CH](O)[CH]4OCO[CH]4[CH]3O)[CH](
    O)[CH]1O; C=1C(=O)C(=CCC=1[C@H]=C(C(NC3C
    (O)C(C2C(OCO2)C3O)O)=O)C)OC4OC(C(O)C4O)C
    (C)=O    		 Hygromycin A
    279 HJO 1 C21 H41 N5 O8 InChI=1S/C21H41N5O8/c1-9(
    27)26-13-6-12(24)16(33-19
    -11(23)5-4-10(7-22)32-19)
    14(28)17(13)34-20-15(29)1
    8(25-3)21(2,30)8-31-20/h1
    0-20,25,28-30H,4-8,22-24H
    2,1-3H3,(H,26,27)/t10-,11
    +,12-,13+,14+,15+,16-,17+
    ,18+,19+,20+,21-/m0/s1;
    NVWHEJSLTXSZGG-RKWCMCGNSA-N    		 CC(=O)N[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H
    ]1O[C@@H]2[C@@H]([C@H](C(CO2)(C)O)NC)O)O
    )O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N; CN[CH
    ]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](O)[C
    H](O[CH]3O[CH](CN)CC[CH]3N)[CH](N)C[CH]2
    NC(C)=O; CC(=O)NC1CC(C(C(C1OC2C(C(C(CO2)
    (C)O)NC)O)O)OC3C(CCC(O3)CN)N)N; CN[C@@H]
    1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]2[C@H]
    (O)[C@@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@
    @H](N)C[C@H]2NC(C)=O    		 N-[(1R,2R,3R,4S,5S)-4-[(2R,3R,6S)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[(2R,3R,4R)-5-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]ethanamide
    280 HJR 1 C20 H37 F3 N4 O8 S InChI=1S/C20H37F3N4O8S/c1
    -19(29)9-32-15(7-13(19)26
    -2)35-18-12(27-36(30,31)2
    0(21,22)23)6-11(25)17(16(
    18)28)34-14-5-3-4-10(8-24
    )33-14/h10-18,26-29H,3-9,
    24-25H2,1-2H3/t10-,11+,12
    +,13-,14+,15+,16+,17-,18+
    ,19-/m0/s1;
    KKFADIKIUKLKMG-OOFUMXBDSA-N    		 CC1(COC(CC1NC)OC2C(CC(C(C2O)OC3CCCC(O3)C
    N)N)NS(=O)(=O)C(F)(F)F)O; CN[C@H]1C[C@H]
    (OC[C@]1(C)O)O[C@H]2[C@H](O)[C@@H](O[C@@
    H]3CCC[C@@H](CN)O3)[C@H](N)C[C@H]2N[S](=
    O)(=O)C(F)(F)F; C[C@@]1(CO[C@@H](C[C@@H]
    1NC)O[C@@H]2[C@@H](C[C@H]([C@@H]([C@H]2O
    )O[C@@H]3CCC[C@H](O3)CN)N)NS(=O)(=O)C(F)
    (F)F)O; CN[CH]1C[CH](OC[C]1(C)O)O[CH]2[C
    H](O)[CH](O[CH]3CCC[CH](CN)O3)[CH](N)C[C
    H]2N[S](=O)(=O)C(F)(F)F    		 N-[(1R,2R,3R,4S,5R)-4-[(2R,6S)-6-(aminomethyl)oxan-2-yl]oxy-5-azanyl-2-[(2R,4S,5R}-5-methyl-4-(methylamino)-5-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide
    281 HKO 1 C24 H40 N6 O9 S InChI=1S/C24H40N6O9S/c1-2
    8-21-18(32)23(37-16-8-24(
    16,21)33)39-20-15(30-40(3
    4,35)12-3-2-6-29-10-12)7-
    14(27)19(17(20)31)38-22-1
    3(26)5-4-11(9-25)36-22/h2
    -3,6,10-11,13-23,28,30-33
    H,4-5,7-9,25-27H2,1H3/t11
    -,13+,14+,15+,16-,17+,18-
    ,19-,20+,21-,22+,23+,24-/
    m0/s1;
    PLNNWXHFRHQFIG-QUYPYEIISA-N    		 CN[CH]1[CH](O)[CH](O[CH]2C[C]12O)O[CH]3[
    CH](C[CH](N)[CH](O[CH]4O[CH](CN)CC[CH]4N
    )[CH]3O)N[S](=O)(=O)c5cccnc5; CN[C@H]1[C
    @H](O)[C@H](O[C@H]2C[C@@]12O)O[C@@H]3[C@
    @H](C[C@@H](N)[C@H](O[C@H]4O[C@H](CN)CC[
    C@H]4N)[C@H]3O)N[S](=O)(=O)c5cccnc5; CNC
    1C(C(OC2C1(C2)O)OC3C(CC(C(C3O)OC4C(CCC(O
    4)CN)N)N)NS(=O)(=O)c5cccnc5)O; CN[C@H]1[
    C@@H]([C@H](OC2[C@]1(C2)O)O[C@@H]3[C@@H]
    (C[C@H]([C@@H]([C@H]3O)O[C@@H]4[C@@H](CC
    [C@H](O4)CN)N)N)NS(=O)(=O)c5cccnc5)O    		 N-[(1R,2R,3R,4S,5R)-4-[(2R,3R,6S)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[[(3S,4S,5S,6R)-5-(methylamino)-4,6-bis(oxidanyl)-2-oxabicyclo[4.1.0]heptan-3-yl]oxy]-3-oxidanyl-cyclohexyl]pyridine-3-sulfonamide
    282 HLV
    CHEMBL5272748
    ZINC000012360277    		 2 C14 H13 N O2 InChI=1S/C14H13NO2/c15-7-
    8-16-10-5-6-14-12(9-10)11
    -3-1-2-4-13(11)17-14/h1-6
    ,9H,7-8,15H2;
    LFVBNMSDBXKNRO-UHFFFAOYSA-N    		 c12cc(ccc1oc3c2cccc3)OCCN; c1ccc2c(c1)c3
    cc(ccc3o2)OCCN; NCCOc1ccc2oc3ccccc3c2c1    		 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine
    283 HMJ 1 C16 H17 N O2 InChI=1S/C16H17NO2/c1-17(
    2)9-10-18-12-7-8-16-14(11
    -12)13-5-3-4-6-15(13)19-1
    6/h3-8,11H,9-10H2,1-2H3;
    GQEGJXFTHBKSKR-UHFFFAOYSA-N    		 CN(C)CCOc1ccc2c(c1)c3ccccc3o2; c1c(OCCN(
    C)C)ccc3c1c2c(cccc2)o3; CN(C)CCOc1ccc2oc
    3ccccc3c2c1    		 2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine
    284 HMT
    CHEMBL46286
    DB04865
    ZINC000026011099    		 7 C29 H39 N O9 InChI=1S/C29H39NO9/c1-27(
    2,33)8-5-10-29(34,16-23(3
    1)36-4)26(32)39-25-22(35-
    3)15-28-9-6-11-30(28)12-7
    -18-13-20-21(38-17-37-20)
    14-19(18)24(25)28/h13-15,
    24-25,33-34H,5-12,16-17H2
    ,1-4H3/t24-,25-,28+,29-/m
    1/s1;
    HYFHYPWGAURHIV-JFIAXGOJSA-N    		 CC(C)(CCCC(CC(=O)OC)(C(=O)OC1C2c3cc4c(cc
    3CCN5C2(CCC5)C=C1OC)OCO4)O)O; O=C(OC)CC(
    O)(C(=O)OC5C(OC)=CC41N(CCC1)CCc3c(cc2OCO
    c2c3)C45)CCCC(O)(C)C; CC(C)(CCC[C@@](CC(
    =O)OC)(C(=O)O[C@H]1[C@H]2c3cc4c(cc3CC[N@
    @]5[C@@]2(CCC5)C=C1OC)OCO4)O)O; COC(=O)C
    [C](O)(CCCC(C)(C)O)C(=O)O[CH]1[CH]2c3cc4
    OCOc4cc3CCN5CCC[C]25C=C1OC; COC(=O)C[C@]
    (O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4O
    COc4cc3CCN5CCC[C@]25C=C1OC    		 (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine;
    Homoharringtonine;
    Cephalotaxine;
    [3(R)]-4-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate
    285 HMV 1 C16 H18 N2 O InChI=1S/C16H18N2O/c1-18(
    2)9-10-19-12-7-8-16-14(11
    -12)13-5-3-4-6-15(13)17-1
    6/h3-8,11,17H,9-10H2,1-2H
    3;
    IIXIJWXGDDCXBA-UHFFFAOYSA-N    		 CN(C)CCOc1ccc2c(c1)c3ccccc3[nH]2; c1c(cc
    c3c1c2ccccc2n3)OCCN(C)C; CN(C)CCOc1ccc2[
    nH]c3ccccc3c2c1    		 2-[(9H-carbazol-3-yl)oxy]-N,N-dimethylethan-1-amine
    286 HN8
    CHEMBL401114
    ZINC000002004156    		 2 C17 H19 N O4 InChI=1S/C17H19NO4/c1-20-
    11-2-3-17-12-6-14-13(21-9
    -22-14)4-10(12)7-18(8-16(
    17)19)15(17)5-11/h2-4,6,1
    1,15-16,19H,5,7-9H2,1H3/t
    11-,15+,16+,17+/m1/s1;
    YGPRSGKVLATIHT-HSHDSVGOSA-N    		 COC1CC2C3(C=C1)c4cc5c(cc4CN2CC3O)OCO5; C
    O[C@H]1C[C@@H]2[N@@]3C[C@H](O)[C@@]2(C=C
    1)c4cc5OCOc5cc4C3; CO[C@H]1C[C@H]2[C@]3(
    C=C1)c4cc5c(cc4CN2C[C@@H]3O)OCO5; CO[CH]
    1C[CH]2[N]3C[CH](O)[C]2(C=C1)c4cc5OCOc5c
    c4C3    		 Haemanthamine;
    Haemanthamin;
    Natalensin;
    3-Epicrinamine
    287 HNG
    CHEMBL1235432
    DB03304
    ZINC000003869370    		 1 C7 H9 N5 O InChI=1S/C7H9N5O/c8-1-3-2
    -10-5-4(3)6(13)12-7(9)11-
    5/h2H,1,8H2,(H4,9,10,11,1
    2,13);
    MEYMBLGOKYDGLZ-UHFFFAOYSA-N    		 NCc1c[nH]c2NC(=NC(=O)c12)N; c1c(c2c([nH]
    1)NC(=NC2=O)N)CN; N2=C(Nc1ncc(c1C2=O)CN)
    N    		 2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one;
    PreQ1
    288 HPA
    CHEMBL1427
    DB04076
    ZINC000018153302    		 12 C5 H4 N4 O InChI=1S/C5H4N4O/c10-5-3-
    4(7-1-6-3)8-2-9-5/h1-2H,(
    H2,6,7,8,9,10);
    FDGQSTZJBFJUBT-UHFFFAOYSA-N    		 O=C1c2c(N=CN1)ncn2; c1[nH]c2c(n1)N=CNC2=
    O; O=C1NC=Nc2nc[nH]c12    		 HYPOXANTHINE
    289 HRG
    CHEMBL589752
    DB03974
    ZINC000001529320    		 1 C7 H16 N4 O2 InChI=1S/C7H16N4O2/c8-5(6
    (12)13)3-1-2-4-11-7(9)10/
    h5H,1-4,8H2,(H,12,13)(H4,
    9,10,11)/t5-/m0/s1;
    QUOGESRFPZDMMT-YFKPBYRVSA-N    		 C(CCNC(=N)N)CC(C(=O)O)N; C(CCNC(=N)N)C[C
    @@H](C(=O)O)N; N[CH](CCCCNC(N)=N)C(O)=O;
    O=C(O)C(N)CCCCNC(=[N@H])N; N[C@@H](CCCC
    NC(N)=N)C(O)=O    		 L-HOMOARGININE
    290 HY0
    ZINC000043860491    		 3 C20 H37 N3 O13 InChI=1S/C20H37N3O13/c1-2
    3-7-2-5(21)9(26)15(10(7)2
    7)33-19-17-16(11(28)8(4-2
    5)32-19)35-20(36-17)18(31
    )13(30)12(29)14(34-20)6(2
    2)3-24/h5-19,23-31H,2-4,2
    1-22H2,1H3/t5-,6+,7+,8-,9
    +,10-,11+,12-,13+,14-,15-
    ,16+,17+,18-,19+,20-/m1/s
    1;
    GRRNUXAQVGOGFE-XFOBNZBXSA-N    		 CNC1CC(C(C(C1O)OC2C3C(C(C(O2)CO)O)OC4(O3
    )C(C(C(C(O4)C(CO)N)O)O)O)O)N; CN[C@H]1C[
    C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]
    3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C
    @@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O
    )O)O)N; O1C4C(OC12OC(C(O)C(O)C2O)C(N)CO)
    C(O)C(OC4OC3C(O)C(N)CC(NC)C3O)CO; CN[CH]
    1C[CH](N)[CH](O)[CH](O[CH]2O[CH](CO)[CH]
    (O)[CH]3O[C]4(O[CH]([CH](N)CO)[CH](O)[CH
    ](O)[CH]4O)O[CH]23)[CH]1O; CN[C@H]1C[C@@
    H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C
    @H](O)[C@@H]3O[C@@]4(O[C@H]([C@@H](N)CO)
    [C@H](O)[C@H](O)[C@H]4O)O[C@H]23)[C@@H]1
    O    		 HYGROMYCIN B VARIANT;
    (2R,3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-4-[(1R,2S,3R,5S,6R)-3-azanyl-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-[(1S) -1-azanyl-2-hydroxy-ethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5', 7-tetrol
    291 HYG
    ZINC000060184504    		 8 C20 H37 N3 O13 InChI=1S/C20H37N3O13/c1-2
    3-7-2-5(21)9(26)15(10(7)2
    7)33-19-17-16(11(28)8(4-2
    5)32-19)35-20(36-17)18(31
    )13(30)12(29)14(34-20)6(2
    2)3-24/h5-19,23-31H,2-4,2
    1-22H2,1H3/t5-,6+,7+,8-,9
    +,10-,11+,12-,13-,14+,15-
    ,16+,17-,18-,19+,20-/m1/s
    1;
    GRRNUXAQVGOGFE-WRWUMOMGSA-N    		 CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C
    @H]2[C@H]3[C@H](C([C@H](O2)CO)O)O[C@@]4(
    O3)[C@@H]([C@@H]([C@H]([C@@H](O4)[C@H](C
    O)N)O)O)O)O)N; CNC1CC(C(C(C1O)OC2C3C(C(C
    (O2)CO)O)OC4(O3)C(C(C(C(O4)C(CO)N)O)O)O)
    O)N; CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[
    C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@@]4(O
    [C@@H]([C@@H](N)CO)[C@H](O)[C@@H](O)[C@H
    ]4O)O[C@@H]23)[C@@H]1O; O1C4C(OC12OC(C(O
    )C(O)C2O)C(N)CO)C(O)C(OC4OC3C(O)C(N)CC(N
    C)C3O)CO; CN[CH]1C[CH](N)[CH](O)[CH](O[C
    H]2O[CH](CO)[CH](O)[CH]3O[C]4(O[CH]([CH]
    (N)CO)[CH](O)[CH](O)[CH]4O)O[CH]23)[CH]1
    O    		 HYGROMYCIN B;
    HYGROMIX;
    ANTIHELMYCIN;
    HYDROMYCIN B;
    DESTOMYSIN;
    ANTIBIOTIC A-396-II
    292 HYJ
    CHEMBL1206243
    ZINC000004228292    		 1 C10 H13 N4 O9 P InChI=1S/C10H13N4O9P/c15-
    5-3(1-22-24(19,20)21)23-9
    (6(5)16)14-2-11-4-7(14)12
    -10(18)13-8(4)17/h2-3,5-6
    ,9,15-16H,1H2,(H2,19,20,2
    1)(H2,12,13,17,18)/t3-,5-
    ,6-,9-/m1/s1;
    DCTLYFZHFGENCW-UUOKFMHZSA-N    		 c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(
    NC2=O)O; O[C@H]1[C@@H](O)[C@@H](O[C@@H]1
    CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)O; c1n
    c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=
    O)(O)O)O)O)N=C(NC2=O)O; O[CH]1[CH](O)[CH
    ](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc2
    3)O    		 9-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-2-oxidanyl-1~{H}-purin-6-one
    293 HZD 1 C38 H50 N6 O6 S2 InChI=1S/C38H48N6O6S2/c1-
    43-17-14-27(28-8-2-3-9-30
    (28)43)24-36-44(31-10-4-5
    -11-32(31)52-36)25-35(46)
    40-16-19-49-21-23-50-22-2
    0-48-18-15-39-34(45)13-7-
    6-12-33-37-29(26-51-33)41
    -38(47)42-37/h2-5,8-11,14
    ,17,29,33,37H,6-7,12-13,1
    5-16,18-26H2,1H3,(H2-2,39
    ,40,41,42,45,46,47)/p+2/t
    29-,33-,37-/m1/s1;
    SGYJIWSWMOUKKZ-GTCKRINLSA-P    		 C(NCCOCCOCCOCCNC(CCCCC1SCC2NC(=O)NC12)=O
    )(C[n+]6c(Cc3cc[n+](C)c4c3cccc4)sc5c6ccc
    c5)=O; C[n+]1ccc(Cc2sc3ccccc3[n+]2CC(=O)
    NCCOCCOCCOCCNC(=O)CCCC[C@H]4SC[C@H]5NC(=
    O)N[C@@H]45)c6ccccc16; C[n+]1ccc(c2c1ccc
    c2)Cc3[n+](c4ccccc4s3)CC(=O)NCCOCCOCCOCC
    NC(=O)CCCCC5C6C(CS5)NC(=O)N6; C[n+]1ccc(
    Cc2sc3ccccc3[n+]2CC(=O)NCCOCCOCCOCCNC(=O
    )CCCC[CH]4SC[CH]5NC(=O)N[CH]45)c6ccccc16
    ; C[n+]1ccc(c2c1cccc2)Cc3[n+](c4ccccc4s3
    )CC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]5[C@H
    ]6[C@@H](CS5)NC(=O)N6    		 4-[(3-{2,16-dioxo-20-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium
    294 HZG 4 C21 H20 N2 O S InChI=1S/C21H20N2OS/c1-15
    (24)14-23-19-9-5-6-10-20(
    19)25-21(23)13-16-11-12-2
    2(2)18-8-4-3-7-17(16)18/h
    3-12H,13-14H2,1-2H3/q+2;
    HTPXDOYVWJQKFJ-UHFFFAOYSA-N    		 CC(=O)C[n+]1c(Cc2cc[n+](C)c3ccccc23)sc4c
    cccc14; c3cc(Cc1[n+](CC(C)=O)c2c(s1)cccc
    2)c4c([n+]3C)cccc4; CC(=O)C[n+]1c2ccccc2
    sc1Cc3cc[n+](c4c3cccc4)C    		 1-methyl-4-{[3-(2-oxopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium
    295 I2A 4 C62 H88 Co N13 O15 P InChI=1S/C62H88N13O14P.Co
    .H2O/c1-29-20-39-40(21-30
    (29)2)75(28-70-39)57-52(8
    4)53(41(27-76)87-57)89-90
    (85,86)88-31(3)26-69-49(8
    3)18-19-59(8)37(22-46(66)
    80)56-62(11)61(10,25-48(6
    8)82)36(14-17-45(65)79)51
    (74-62)33(5)55-60(9,24-47
    (67)81)34(12-15-43(63)77)
    38(71-55)23-42-58(6,7)35(
    13-16-44(64)78)50(72-42)3
    2(4)54(59)73-56;;/h12,15,
    20-21,23,28,31,34-37,41,5
    2-53,56-57,76,84H,13-14,1
    6-19,22,24-27H2,1-11H3,(H
    15,63,64,65,66,67,68,69,7
    1,72,73,74,77,78,79,80,81
    ,82,83,85,86);;1H2/q;+2;/
    p-2/b15-12+;;/t31-,34-,35
    -,36-,37+,41-,52-,53-,56-
    ,57+,59-,60+,61+,62+;;/m1
    ../s1;
    SBWCGMJXGBIRKS-WOMLWXGFSA-L    		 Cc1cc2c(cc1C)N3C=[N]2[Co]456(N7C8C(C(C7=
    C(C9=[N]4C(=CC1=[N]5C(=C(C2=[N]6C8(C(C2C
    CC(=O)N)(C)CC(=O)N)C)C)C(C1C=CC(=O)N)(C)
    CC(=O)N)C(C9CCC(=O)N)(C)C)C)(CCC(=O)NCC(
    OP(=O)(OC1C(OC3C1O)CO)O)C)C)CC(=O)N)O; C
    [CH]1CNC(=O)CC[C]2(C)[CH](CC(N)=O)[CH]3[
    N]4[Co]|5|6(O)(|n7cn([CH]8O[CH](CO)[CH](
    O[P](O)(=O)O1)[CH]8O)c9cc(C)c(C)cc79)|N%
    10=C(C=C%11N|5=C([CH](CCC(N)=O)C%11(C)C)
    C(=C24)C)[CH](C=CC(N)=O)[C](C)(CC(N)=O)C
    %10=C(C)C%12=N|6[C]3(C)[C](C)(CC(N)=O)[C
    H]%12CCC(N)=O; C[C@@H]1CNC(=O)CC[C@]2(C)
    [C@@H](CC(N)=O)[C@H]3[N@@]4[Co]|5|6(O)(|
    n7cn([C@H]8O[C@H](CO)[C@@H](O[P](O)(=O)O
    1)[C@H]8O)c9cc(C)c(C)cc79)|N%10=C(C=C%11
    N|5=C([C@@H](CCC(N)=O)C%11(C)C)C(=C24)C)
    [C@@H](\C=C\C(N)=O)[C@](C)(CC(N)=O)C%10=
    C(C)C%12=N|6[C@]3(C)[C@@](C)(CC(N)=O)[C@
    @H]%12CCC(N)=O; Cc1cc2c(cc1C)N3C=[N]2[Co
    ]456(N7[C@@H]8[C@@H]([C@](C7=C(C9=[N]4C(
    =CC1=[N]5C(=C(C2=[N]6[C@@]8([C@@]([C@@H]
    2CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]1/C
    =C/C(=O)N)(C)CC(=O)N)C([C@@H]9CCC(=O)N)(
    C)C)C)(CCC(=O)NC[C@H](OP(=O)(O[C@@H]1[C@
    H](O[C@H]3[C@@H]1O)CO)O)C)C)CC(=O)N)O    		 Hydroxocobalamin
    296 IAS
    CHEMBL274323
    DB00128
    ZINC000000895032    		 4 C4 H7 N O4 InChI=1S/C4H7NO4/c5-2(4(8
    )9)1-3(6)7/h2H,1,5H2,(H,6
    ,7)(H,8,9)/t2-/m0/s1;
    CKLJMWTZIZZHCS-REOHCLBHSA-N    		 C(C(C(=O)O)N)C(=O)O; C([C@@H](C(=O)O)N)C
    (=O)O; N[CH](CC(O)=O)C(O)=O; N[C@@H](CC(
    O)=O)C(O)=O; O=C(O)CC(N)C(=O)O    		 BETA-L-ASPARTIC ACID;
    L-aspartic acid
    297 IDG
    ZINC000005830452    		 2 C6 H14 N2 O4 InChI=1S/C6H14N2O4/c7-1-2
    -4(9)5(10)3(8)6(11)12-2/h
    2-6,9-11H,1,7-8H2/t2-,3+,
    4+,5+,6-/m0/s1;
    SQTHUUHOUPJYLK-BSQWINAVSA-N    		 C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)
    O)O)N; NC[CH]1O[CH](O)[CH](N)[CH](O)[CH]
    1O; C(C1C(C(C(C(O1)O)N)O)O)N; NC[C@@H]1O
    [C@H](O)[C@H](N)[C@@H](O)[C@@H]1O; OC1C(
    O)C(OC(O)C1N)CN    		 2,6-diamino-2,6-dideoxy-beta-L-idopyranose;
    O-2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSE;
    2,6-diamino-2,6-dideoxy-beta-L-idose;
    2,6-diamino-2,6-dideoxy-L-idose;
    2,6-diamino-2,6-dideoxy-idose
    298 IEL
    CHEMBL7889
    ZINC000001886326    		 1 C8 H17 N3 O2 InChI=1S/C8H17N3O2/c1-6(9
    )11-5-3-2-4-7(10)8(12)13/
    h7H,2-5,10H2,1H3,(H2,9,11
    )(H,12,13)/t7-/m0/s1;
    ONYFNWIHJBLQKE-ZETCQYMHSA-N    		 [H]N=C(C)NCCCCC(C(=O)O)N; O=C(O)C(N)CCCC
    NC(=[N@H])C; [H]/N=C(/C)\NCCCC[C@@H](C(=
    O)O)N; CC(=N)NCCCC[CH](N)C(O)=O; CC(=N)N
    CCCC[C@H](N)C(O)=O    		 N~6~-[(1Z)-ethanimidoyl]-L-lysine
    299 ILE
    CHEMBL1233584
    DB00167
    ZINC000003581355    		 5 C6 H13 N O2 InChI=1S/C6H13NO2/c1-3-4(
    2)5(7)6(8)9/h4-5H,3,7H2,1
    -2H3,(H,8,9)/t4-,5-/m0/s1;
    AGPKZVBTJJNPAG-WHFBIAKZSA-N    		 CC[C@H](C)[C@@H](C(=O)O)N; CCC(C)C(C(=O)
    O)N; CC[CH](C)[CH](N)C(O)=O; O=C(O)C(N)C
    (C)CC; CC[C@H](C)[C@H](N)C(O)=O    		 ISOLEUCINE
    300 IPA
    CHEMBL582
    DB02325
    ZINC000000901159    		 4 C3 H8 O InChI=1S/C3H8O/c1-3(2)4/h
    3-4H,1-2H3;
    KFZMGEQAYNKOFK-UHFFFAOYSA-N    		 OC(C)C; CC(C)O ISOPROPYL ALCOHOL;
    2-PROPANOL
    301 IR 2 Ir InChI=1S/Ir/q+4;
    MOHYGSBMXIJZBJ-UHFFFAOYSA-N    		 [Ir+4] IRIDIUM ION
    302 IRI 316 H18 Ir N6 InChI=1S/Ir.6H3N/h;6*1H3/
    q+3;;;;;;;
    CGMAOQLDNKCXGK-UHFFFAOYSA-N    		 N.N.N.N.N.N.[Ir+3]; [NH3][Ir+3]([NH3])([
    NH3])([NH3])([NH3])[NH3]    		 IRIDIUM HEXAMMINE ION
    303 ISH
    ZINC000013675184    		 1 C17 H27 N5 O InChI=1S/C17H27N5O/c1-20(
    2)8-5-9-22-16-13-10-12(11
    -21(3)4)23-15(13)7-6-14(1
    6)19-17(22)18/h6-7,12H,5,
    8-11H2,1-4H3,(H2,18,19)/t
    12-/m1/s1;
    PFHMRNGLRJXGSW-GFCCVEGCSA-N    		 CN(C)CCCn1c(N)nc2ccc3O[C@@H](CN(C)C)Cc3c
    12; CN(C)CCCn1c2c(ccc3c2C[C@@H](O3)CN(C)
    C)nc1N; CN(C)CCCn1c2c(ccc3c2CC(O3)CN(C)C
    )nc1N; CN(C)CCCn1c(N)nc2ccc3O[CH](CN(C)C
    )Cc3c12    		 (7R)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazol-2-amine
    304 ISI
    ZINC000013675186    		 1 C17 H27 N5 O InChI=1S/C17H27N5O/c1-20(
    2)8-5-9-22-16-13-10-12(11
    -21(3)4)23-15(13)7-6-14(1
    6)19-17(22)18/h6-7,12H,5,
    8-11H2,1-4H3,(H2,18,19)/t
    12-/m0/s1;
    PFHMRNGLRJXGSW-LBPRGKRZSA-N    		 CN(C)CCCn1c2c(ccc3c2C[C@H](O3)CN(C)C)nc1
    N; CN(C)CCCn1c(N)nc2ccc3O[C@H](CN(C)C)Cc
    3c12; CN(C)CCCn1c2c(ccc3c2CC(O3)CN(C)C)n
    c1N; CN(C)CCCn1c(N)nc2ccc3O[CH](CN(C)C)C
    c3c12    		 (7S)-7-[(dimethylamino)methyl]-1-[3-(dimethylamino)propyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazol-2-amine
    305 IUM 2 O2 U InChI=1S/2O.U/q2*-1;;
    IZLHQJIUOZHTLW-UHFFFAOYSA-N    		 [O-][U][O-]; [O-][U+4][O-] URANYL (VI) ION
    306 J0C 2 C14 H17 N7 O InChI=1S/C14H17N7O/c1-2-3
    -4-14(20-21-14)5-6-16-7-9
    -8-17-11-10(9)12(22)19-13
    (15)18-11/h1,8,16H,3-7H2,
    (H4,15,17,18,19,22);
    XAJHFEIBEFHTRZ-UHFFFAOYSA-N    		 C#CCCC1(N=N1)CCNCc2c[nH]c3c2C(=O)N=C(N3)
    N; NC1=NC(=O)c2c(CNCCC3(CCC#C)N=N3)c[nH]
    c2N1    		 2-azanyl-5-[[2-(3-but-3-ynyl-1,2-diazirin-3-yl)ethylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
    307 J0D
    CHEMBL4117515
    ZINC000001081175    		 2 C19 H17 N2 S InChI=1S/C19H17N2S/c1-20-
    12-11-14(15-7-3-4-8-16(15
    )20)13-19-21(2)17-9-5-6-1
    0-18(17)22-19/h3-13H,1-2H
    3/q+1;
    XRXJDLHDDHBJOJ-UHFFFAOYSA-N    		 CN1\C(Sc2ccccc12)=C\c3cc[n+](C)c4ccccc34
    ; C[n+]1ccc(c2c1cccc2)C=C3N(c4ccccc4S3)C
    ; CN1C(Sc2ccccc12)=Cc3cc[n+](C)c4ccccc34
    ; CN4c1ccccc1SC4=[C@H]c3c2c(cccc2)[n+](c
    c3)C; C[n+]1ccc(c2c1cccc2)/C=C\3/N(c4ccc
    cc4S3)C    		 1-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium;
    Thiazole orange
    308 J8F 5 C19 H17 N3 O InChI=1S/C19H17N3O/c1-22(
    10-11-23)19-8-4-15(5-9-19
    )12-18(14-21)17-6-2-16(13
    -20)3-7-17/h2-9,12,23H,10
    -11H2,1H3/b18-12+;
    DIAVZHWDYXQAFC-LDADJPATSA-N    		 CN(CCO)c1ccc(cc1)/C=C(\C#N)/c2ccc(cc2)C#
    N; CN(CCO)c1ccc(cc1)C=C(C#N)c2ccc(cc2)C#
    N; CN(CCO)c1ccc(cc1)\C=C(C#N)\c2ccc(cc2)
    C#N    		 4-[(~{Z})-1-cyano-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]ethenyl]benzenecarbonitrile
    309 J8L 1 C19 H20 N6 InChI=1S/C19H20N6/c1-24(2
    )8-9-25(3)19-14-22-18(13-
    23-19)10-17(12-21)16-6-4-
    15(11-20)5-7-16/h4-7,10,1
    3-14H,8-9H2,1-3H3/b17-10+;
    LKDZROJVPDPWQB-LICLKQGHSA-N    		 CN(C)CCN(C)c1cnc(cn1)\C=C(/C#N)c2ccc(cc2
    )C#N; CN(C)CCN(C)c1cnc(cn1)C=C(C#N)c2ccc
    (cc2)C#N; CN(C)CCN(C)c1cnc(cn1)/C=C(\C#N
    )/c2ccc(cc2)C#N    		 4-[(~{Z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile
    310 J8O 1 C17 H15 N5 O InChI=1S/C17H15N5O/c1-22(
    6-7-23)17-12-20-16(11-21-
    17)8-15(10-19)14-4-2-13(9
    -18)3-5-14/h2-5,8,11-12,2
    3H,6-7H2,1H3/b15-8+;
    KAAHKPAHANCLED-OVCLIPMQSA-N    		 CN(CCO)c1cnc(cn1)C=C(C#N)c2ccc(cc2)C#N;
    CN(CCO)c1cnc(cn1)/C=C(\C#N)/c2ccc(cc2)C#
    N; CN(CCO)c1cnc(cn1)\C=C(/C#N)c2ccc(cc2)
    C#N    		 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile
    311 J8R 1 C18 H16 N4 O InChI=1S/C18H16N4O/c1-22(
    8-9-23)18-7-4-15(13-21-18
    )10-17(12-20)16-5-2-14(11
    -19)3-6-16/h2-7,10,13,23H
    ,8-9H2,1H3/b17-10+;
    MMFJPNCXBGQMOQ-LICLKQGHSA-N    		 CN(CCO)c1ccc(cn1)/C=C(\C#N)/c2ccc(cc2)C#
    N; CN(CCO)c1ccc(cn1)C=C(C#N)c2ccc(cc2)C#
    N; CN(CCO)c1ccc(cn1)\C=C(/C#N)c2ccc(cc2)
    C#N    		 4-[(~{Z})-1-cyano-2-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]ethenyl]benzenecarbonitrile
    312 J8U 1 C21 H22 N4 InChI=1S/C21H22N4/c1-24(2
    )12-13-25(3)21-10-6-17(7-
    11-21)14-20(16-23)19-8-4-
    18(15-22)5-9-19/h4-11,14H
    ,12-13H2,1-3H3/b20-14+;
    BCLYGBLOTWSFBR-XSFVSMFZSA-N    		 CN(C)CCN(C)c1ccc(cc1)/C=C(\C#N)/c2ccc(cc
    2)C#N; CN(C)CCN(C)c1ccc(cc1)\C=C(C#N)\c2
    ccc(cc2)C#N; CN(C)CCN(C)c1ccc(cc1)C=C(C#
    N)c2ccc(cc2)C#N    		 4-[(~{Z})-1-cyano-2-[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]ethenyl]benzenecarbonitrile
    313 J8X 1 C19 H17 N3 O2 InChI=1S/C19H17N3O2/c1-22
    (10-11-23)16-8-6-14(7-9-1
    6)12-15(13-20)19-21-17-4-
    2-3-5-18(17)24-19/h2-9,12
    ,23H,10-11H2,1H3/b15-12+;
    PARAUTMXYRINAC-NTCAYCPXSA-N    		 CN(CCO)c1ccc(cc1)\C=C(C#N)\c2oc3ccccc3n2
    ; CN(CCO)c1ccc(cc1)C=C(C#N)c2oc3ccccc3n2
    ; CN(CCO)c1ccc(cc1)C=C(C#N)c2nc3ccccc3o2
    ; CN(CCO)c1ccc(cc1)/C=C(\C#N)/c2nc3ccccc
    3o2    		 (~{E})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile
    314 J93 2 C19 H15 N3 O S2 InChI=1S/C19H15N3OS2/c1-2
    2(6-7-23)19-10-18-17(25-1
    9)9-16(24-18)8-15(12-21)1
    4-4-2-13(11-20)3-5-14/h2-
    5,8-10,23H,6-7H2,1H3/b15-
    8+;
    RIGJCKIIBUZTCX-OVCLIPMQSA-N    		 CN(CCO)c1sc2cc(sc2c1)\C=C(/C#N)c3ccc(cc3
    )C#N; CN(CCO)c1cc2c(s1)cc(s2)/C=C(\C#N)/
    c3ccc(cc3)C#N; CN(CCO)c1cc2c(s1)cc(s2)C=
    C(C#N)c3ccc(cc3)C#N; CN(CCO)c1sc2cc(sc2c
    1)C=C(C#N)c3ccc(cc3)C#N    		 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile
    315 JJH
    CHEMBL3707376
    DB11847    		 1 C29 H29 F2 N3 O8 InChI=1S/C29H29F2N3O8/c30
    -21-10-19-23(33(16-1-2-16
    )13-20(26(19)36)27(37)38)
    11-24(21)32-7-5-29(40,6-8
    -32)15-41-25-4-3-17(9-22(
    25)31)34-12-18(14-35)42-2
    8(34)39/h3-4,9-11,13,16,1
    8,35,40H,1-2,5-8,12,14-15
    H2,(H,37,38)/t18-/m1/s1;
    XWFCFMXQTBGXQW-GOSISDBHSA-N    		 c1cc(c(cc1N2CC(OC2=O)CO)F)OCC3(CCN(CC3)c
    4cc5c(cc4F)C(=O)C(=CN5C6CC6)C(=O)O)O; OC
    [CH]1CN(C(=O)O1)c2ccc(OCC3(O)CCN(CC3)c4c
    c5N(C=C(C(O)=O)C(=O)c5cc4F)C6CC6)c(F)c2;
    OC[C@H]1CN(C(=O)O1)c2ccc(OCC3(O)CCN(CC3
    )c4cc5N(C=C(C(O)=O)C(=O)c5cc4F)C6CC6)c(F
    )c2; c1cc(c(cc1N2C[C@@H](OC2=O)CO)F)OCC3
    (CCN(CC3)c4cc5c(cc4F)C(=O)C(=CN5C6CC6)C(
    =O)O)O    		 cadazolid
    316 JOS
    ZINC000263620874    		 1 C42 H69 N O15 InChI=1S/C42H69NO15/c1-23
    (2)19-32(47)56-40-27(6)53
    -34(22-42(40,8)50)57-37-2
    6(5)54-41(36(49)35(37)43(
    9)10)58-38-29(17-18-44)20
    -24(3)30(46)16-14-12-13-1
    5-25(4)52-33(48)21-31(39(
    38)51-11)55-28(7)45/h12-1
    5,18,23-27,29-31,34-41,46
    ,49-50H,16-17,19-22H2,1-1
    1H3/b14-12+,15-13-/t24-,2
    5-,26-,27+,29+,30+,31-,34
    +,35-,36-,37-,38+,39+,40+
    ,41+,42-/m1/s1;
    PDCICSSHRGGICK-BVVLUKMUSA-N    		 C[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H](CC(=
    O)O[C@@H](/C=C\C=C\C[C@@H]1O)C)OC(=O)C)O
    C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)
    O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC
    (C)C)(C)O)N(C)C)O)CC=O; CO[CH]1[CH](CC(=
    O)O[CH](C)C=CC=CC[CH](O)[CH](C)C[CH](CC=
    O)[CH]1O[CH]2O[CH](C)[CH](O[CH]3C[C](C)(
    O)[CH](OC(=O)CC(C)C)[CH](C)O3)[CH]([CH]2
    O)N(C)C)OC(C)=O; O=C(OC1C(O)(C)CC(OC1C)O
    C3C(OC(OC2C(OC)C(OC(=O)C)CC(=O)OC(C=CC=C
    CC(O)C(C)CC2CC=O)C)C(O)C3N(C)C)C)CC(C)C;
    CC1CC(C(C(C(CC(=O)OC(C=CC=CCC1O)C)OC(=O
    )C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(
    =O)CC(C)C)(C)O)N(C)C)O)CC=O; CO[C@H]1[C@
    @H](CC(=O)O[C@H](C)\C=C/C=C/C[C@H](O)[C@
    H](C)C[C@H](CC=O)[C@@H]1O[C@@H]2O[C@H](C
    )[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)
    CC(C)C)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)O
    C(C)=O    		 (2S,3S,4R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(4R,5S,6S,7R,9R,10S,12E,14Z,16R)-4-(ACETYLOXY)-10-HYDROXY-5-METHOXY-9,16-DIMETHYL-2-OXO-7-(2-OXOETHYL)OXACYCLOHEXADECA-12,14-DIEN-6-YL]OXY}-4-(DIMETHYLAMINO)-5-HYDROXY-2-METHYLTETRAHYDRO-2H-PYRAN-3-YL]OXY}-4-HYDROXY-2,4-DIMETHYLTETRAHYDRO-2H-PYRAN-3-YL 3-METHYLBUTANOATE;
    JOSAMYCIN
    317 JS4
    CHEMBL412763
    DB04717
    ZINC000095540249    		 4 C28 H57 N7 O14 InChI=1S/C28H57N7O14/c29-
    2-1-3-35-4-5-43-25-23(48-
    26-15(33)20(41)18(39)12(7
    -30)44-26)14(9-37)46-28(2
    5)49-24-17(38)10(31)6-11(
    32)22(24)47-27-16(34)21(4
    2)19(40)13(8-36)45-27/h10
    -28,35-42H,1-9,29-34H2/t1
    0-,11+,12+,13-,14-,15-,16
    -,17+,18-,19-,20-,21-,22-
    ,23-,24-,25-,26-,27-,28+/
    m1/s1;
    FJVLHNJZMYGVLT-XXJRHLBLSA-N    		 O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)
    C4OC(C(OC3OC(CN)C(O)C(O)C3N)C4OCCNCCCN)C
    O; NCCCNCCO[CH]1[CH](O[CH](CO)[CH]1O[CH]
    2O[CH](CN)[CH](O)[CH](O)[CH]2N)O[CH]3[CH
    ](O)[CH](N)C[CH](N)[CH]3O[CH]4O[CH](CO)[
    CH](O)[CH](O)[CH]4N; C1[C@H]([C@@H]([C@H
    ]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C
    @@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H](C([
    C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([
    C@@H](O4)CN)O)O)N)OCCNCCCN)O)N; NCCCNCCO
    [C@H]1[C@@H](O[C@H](CO)[C@H]1O[C@H]2O[C@
    @H](CN)[C@@H](O)[C@H](O)[C@H]2N)O[C@@H]3
    [C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O
    [C@H](CO)[C@@H](O)[C@H](O)[C@H]4N; C1C(C
    (C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C
    (O3)CO)OC4C(C(C(C(O4)CN)O)O)N)OCCNCCCN)O
    )N    		 (2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-4-(2-(3-AMINOPROPYLAMINO)ETHOXY)-5-((1R,2R,3S,5R,6S)-3,5-DIAM INO-2-((2S,3R,4R,5S,6R)-3-AMINO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-( HYDROXYMETHYL)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL;
    2"-O-[N-(3-(AMINOPROPYL)2-AMINOETHYL]PAROMOMYCIN;
    O-2-AMINO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL-(1,4)-O-[O-2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSYL-(1,3)-BETA-D-2-O-(2-(1,3 -DIAMINOPROPYL)-ETHYL)-RIBOFURANOSYL-(1,5)-2-DEOXY-D-STREPTAMINE
    318 JS5
    CHEMBL376109
    DB04718    		 4 C31 H61 N7 O14 InChI=1S/C31H61N7O14/c32-
    7-15-21(42)23(44)18(35)29
    (47-15)51-26-17(11-40)49-
    31(28(26)46-5-4-38-9-12-2
    -1-3-37-8-12)52-27-20(41)
    13(33)6-14(34)25(27)50-30
    -19(36)24(45)22(43)16(10-
    39)48-30/h12-31,37-45H,1-
    11,32-36H2/t12?,13-,14+,1
    5+,16-,17-,18-,19-,20+,21
    -,22-,23-,24-,25-,26-,27-
    ,28-,29-,30-,31+/m1/s1;
    AHJDGUQMOYBKDU-NSCPTEJBSA-N    		 NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H
    ](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H
    ]3O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H
    ]4N)[C@@H]2OCCNC[C@@H]5CCCNC5)[C@H](N)[C
    @@H](O)[C@@H]1O; NC[CH]1O[CH](O[CH]2[CH]
    (CO)O[CH](O[CH]3[CH](O)[CH](N)C[CH](N)[C
    H]3O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4N)[
    CH]2OCCNC[CH]5CCCNC5)[CH](N)[CH](O)[CH]1
    O; C1CC(CNC1)CNCCO[C@@H]2[C@@H]([C@H](O[
    C@H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3
    O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)
    O)O)N)N)N)O)CO)O[C@@H]5[C@@H]([C@H]([C@@
    H]([C@@H](O5)CN)O)O)N; O(C2C(OC1OC(CO)C(
    O)C(O)C1N)C(N)CC(N)C2O)C5OC(C(OC3OC(CN)C
    (O)C(O)C3N)C5OCCNCC4CCCNC4)CO; C1CC(CNC1
    )CNCCOC2C(C(OC2OC3C(C(CC(C3OC4C(C(C(C(O4
    )CO)O)O)N)N)N)O)CO)OC5C(C(C(C(O5)CN)O)O)
    N    		 (2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R,4R,5S,6R)-3-AMINO-4 ,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-(HYDROXYMETHYL)-4-(2-((R)-PIPERIDI N-3-YLMETHYLAMINO)ETHOXY)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL;
    2"-O-[N-(3-(AMINOMETHYL)-PYRIDINE)-2-AMINOETHYL]PAROMOMYCIN;
    O-2-AMINO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL-(1,4)-O-[O-2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSYL-(1,3)-BETA-D-2-O-(3-ETHY LAMINOMETHYL)-PYRIDYL-(1,5)]-2-DEOXY-D-STREPTAMINE
    319 JS6
    CHEMBL389421
    ZINC000169362577    		 4 C33 H58 N6 O14 InChI=1S/C33H58N6O14/c34-
    11-17-23(43)25(45)20(37)3
    1(48-17)52-28-19(13-41)50
    -33(30(28)47-9-8-39-7-6-1
    4-4-2-1-3-5-14)53-29-22(4
    2)15(35)10-16(36)27(29)51
    -32-21(38)26(46)24(44)18(
    12-40)49-32/h1-5,15-33,39
    -46H,6-13,34-38H2/t15-,16
    +,17+,18-,19-,20-,21-,22+
    ,23-,24-,25-,26-,27-,28-,
    29-,30-,31-,32-,33+/m1/s1;
    RYWOYAQAVIFICV-KWRLVFCDSA-N    		 c1ccc(cc1)CCNCCO[C@@H]2[C@@H]([C@H](O[C@
    H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[
    C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)
    O)N)N)N)O)CO)O[C@@H]5[C@@H]([C@H]([C@@H]
    ([C@@H](O5)CN)O)O)N; c1ccc(cc1)CCNCCOC2C
    (C(OC2OC3C(C(CC(C3OC4C(C(C(C(O4)CO)O)O)N
    )N)N)O)CO)OC5C(C(C(C(O5)CN)O)O)N; NC[CH]
    1O[CH](O[CH]2[CH](CO)O[CH](O[CH]3[CH](O)
    [CH](N)C[CH](N)[CH]3O[CH]4O[CH](CO)[CH](
    O)[CH](O)[CH]4N)[CH]2OCCNCCc5ccccc5)[CH]
    (N)[CH](O)[CH]1O; NC[C@@H]1O[C@H](O[C@@H
    ]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@
    H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CO)[C@
    @H](O)[C@H](O)[C@H]4N)[C@@H]2OCCNCCc5ccc
    cc5)[C@H](N)[C@@H](O)[C@@H]1O; O(C2C(OC1
    OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)C5OC(C(OC
    3OC(CN)C(O)C(O)C3N)C5OCCNCCc4ccccc4)CO
    320 K
    CHEMBL1233793
    DB01345    		 11311 K InChI=1S/K/q+1;
    NPYPAHLBTDXSSS-UHFFFAOYSA-N    		 [K+] POTASSIUM ION
    321 K16
    CHEMBL255708
    ZINC000003871989    		 3 C28 H38 N2 O4 InChI=1S/C28H38N2O4/c1-5-
    17-16-30-9-7-19-13-27(33-
    3)28(34-4)15-22(19)24(30)
    11-20(17)10-23-21-14-26(3
    2-2)25(31)12-18(21)6-8-29
    -23/h12-15,17,20,23-24,29
    ,31H,5-11,16H2,1-4H3/t17-
    ,20-,23+,24-/m0/s1;
    DTGZHCFJNDAHEN-OZEXIGSWSA-N    		 CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[
    C@@H]4c5cc(c(cc5CCN4)O)OC)OC)OC; CC[C@H]
    1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C
    @H]4NCCc5cc(O)c(OC)cc45; CCC1CN2CCc3cc(c
    (cc3C2CC1CC4c5cc(c(cc5CCN4)O)OC)OC)OC; C
    C[CH]1CN2CCc3cc(OC)c(OC)cc3[CH]2C[CH]1C[
    CH]4NCCc5cc(O)c(OC)cc45    		 Cephaeline;
    (1~{R})-1-[[(2~{S},3~{R},11~{b}~{S})-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11~{b}-hexahydro-1~{H}-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
    322 KAN
    CHEMBL1384
    DB01172
    ZINC000008214590    		 12 C18 H36 N4 O11 InChI=1S/C18H36N4O11/c19-
    2-6-10(25)12(27)13(28)18(
    30-6)33-16-5(21)1-4(20)15
    (14(16)29)32-17-11(26)8(2
    2)9(24)7(3-23)31-17/h4-18
    ,23-29H,1-3,19-22H2/t4-,5
    +,6-,7-,8+,9-,10-,11-,12+
    ,13-,14-,15+,16-,17-,18-/
    m1/s1;
    SBUJHOSQTJFQJX-NOAMYHISSA-N    		 NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O
    [CH]3O[CH](CO)[CH](O)[CH](N)[CH]3O)[CH]2
    O)[CH](O)[CH](O)[CH]1O; NC[C@H]1O[C@H](O
    [C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O
    [C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2
    O)[C@H](O)[C@@H](O)[C@@H]1O; O(C2C(O)C(O
    C1OC(CN)C(O)C(O)C1O)C(N)CC2N)C3OC(C(O)C(
    N)C3O)CO; C1[C@H]([C@@H]([C@H]([C@@H]([C
    @H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](
    O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H
    ]([C@H](O3)CO)O)N)O)N; C1C(C(C(C(C1N)OC2
    C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O
    )N)O)N    		 KANAMYCIN A
    323 KKL 1 C17 H12 N4 O2 InChI=1S/C17H12N4O2/c1-2-
    11-3-5-13(6-4-11)16-20-21
    -17(23-16)19-15(22)12-7-9
    -14(18)10-8-12/h1,3-10H,1
    8H2,(H,19,21,22);
    FIEDYLNUYGEAJG-UHFFFAOYSA-N    		 c1cc(ccc1C(Nc3nnc(c2ccc(cc2)C#C)o3)=O)N;
    C#Cc1ccc(cc1)c2nnc(o2)NC(=O)c3ccc(cc3)N
    ; Nc1ccc(cc1)C(=O)Nc2oc(nn2)c3ccc(cc3)C#
    C    		 4-amino-N-[5-(4-ethynylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
    324 KSG
    CHEMBL1631109
    ZINC000100042889    		 5 C14 H25 N3 O9 InChI=1S/C14H25N3O9/c1-3-
    5(17-12(16)13(23)24)2-4(1
    5)14(25-3)26-11-9(21)7(19
    )6(18)8(20)10(11)22/h3-11
    ,14,18-22H,2,15H2,1H3,(H2
    ,16,17)(H,23,24)/t3-,4+,5
    +,6-,7+,8+,9-,10+,11+,14-
    /m1/s1;
    PVTHJAPFENJVNC-MHRBZPPQSA-N    		 [H]/N=C(/C(=O)O)\N[C@H]1C[C@@H]([C@H](O[
    C@@H]1C)OC2[C@H]([C@H](C([C@@H]([C@H]2O)
    O)O)O)O)N; C[C@H]1O[C@H](O[C@@H]2[C@@H](
    O)[C@@H](O)[C@H](O)[C@H](O)[C@H]2O)[C@@H
    ](N)C[C@@H]1NC(=N)C(O)=O; [H]N=C(C(=O)O)
    NC1CC(C(OC1C)OC2C(C(C(C(C2O)O)O)O)O)N; O
    =C(O)C(=[N@H])NC2C(OC(OC1C(O)C(O)C(O)C(O
    )C1O)C(N)C2)C; C[CH]1O[CH](O[CH]2[CH](O)
    [CH](O)[CH](O)[CH](O)[CH]2O)[CH](N)C[CH]
    1NC(=N)C(O)=O    		 (1S,2R,3S,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL 2-AMINO-4-{[CARBOXY(IMINO)METHYL]AMINO}-2,3,4,6-TETRADEOXY-ALPHA-D-ARABINO-HEXOPYRANOSIDE;
    KASUGAMYCIN
    325 KWL 1 C19 H22 N6 InChI=1S/C19H22N6/c1-2-17
    -18(24-6-5-23-17)11-15(1)
    12-22-14-16-13-21-4-3-19(
    16)25-9-7-20-8-10-25/h1-6
    ,11,13,20,22H,7-10,12,14H
    2;
    XFJFERUVHIMWDN-UHFFFAOYSA-N    		 c1cc2c(cc1CNCc3cnccc3N4CCNCC4)nccn2; c1n
    ccc(c1CNCc1cc2nccnc2cc1)N1CCNCC1; C1CN(C
    CN1)c2ccncc2CNCc3ccc4nccnc4c3    		 1-[4-(piperazin-1-yl)pyridin-3-yl]-N-[(quinoxalin-6-yl)methyl]methanamine
    326 KWU
    ZINC000014628728    		 2 C10 H11 N3 InChI=1S/C10H11N3/c1-11-7
    -8-2-3-9-10(6-8)13-5-4-12
    -9/h2-6,11H,7H2,1H3;
    QRZKMXOFPHWLCH-UHFFFAOYSA-N    		 CNCc1ccc2nccnc2c1; CNCc1cc2nccnc2cc1; CN
    Cc1ccc2c(c1)nccn2    		 N-methyl-1-(quinoxalin-6-yl)methanamine
    327 KX3
    ZINC000014628730    		 2 C9 H9 N3 InChI=1S/C9H9N3/c10-6-7-1
    -2-8-9(5-7)12-4-3-11-8/h1
    -5H,6,10H2;
    LNYPHLYYOBNSPF-UHFFFAOYSA-N    		 c1cc2c(cc1CN)nccn2; NCc1ccc2nccnc2c1; NC
    c1cc2nccnc2cc1    		 1-(quinoxalin-6-yl)methanamine
    328 KXC 1 C13 H18 N4 InChI=1S/C13H18N4/c1-17(2
    )8-7-14-10-11-3-4-12-13(9
    -11)16-6-5-15-12/h3-6,9,1
    4H,7-8,10H2,1-2H3;
    OZUJBFNDMZPDCX-UHFFFAOYSA-N    		 CN(C)CCNCc1ccc2nccnc2c1; CN(C)CCNCc1cc2n
    ccnc2cc1; CN(C)CCNCc1ccc2c(c1)nccn2    		 6-methylquinoxaline
    329 KY6 1 C21 H17 N3 O S InChI=1S/C21H17N3OS/c1-24
    (8-9-25)19-7-6-17-10-20(2
    6-21(17)12-19)11-18(14-23
    )16-4-2-15(13-22)3-5-16/h
    2-7,10-12,25H,8-9H2,1H3/b
    18-11+;
    WXTHEUULEXARCU-WOJGMQOQSA-N    		 CN(CCO)c1ccc2cc(sc2c1)/C=C(\C#N)/c3ccc(c
    c3)C#N; OCCN(C)c1ccc2cc(\C=C(/C#N)c3ccc(
    C#N)cc3)sc2c1; CN(CCO)c1ccc2cc(sc2c1)\C=
    C(/C#N)c3ccc(cc3)C#N; CN(CCO)c1ccc2cc(sc
    2c1)C=C(C#N)c3ccc(cc3)C#N    		 4-[(Z)-1-cyano-2-{6-[(2-hydroxyethyl)(methyl)amino]-1-benzothiophen-2-yl}ethenyl]benzonitrile
    330 L8H
    ZINC000000403090    		 1 C11 H11 N O InChI=1S/C11H11NO/c1-13-1
    1-7-9(12)6-8-4-2-3-5-10(8
    )11/h2-7H,12H2,1H3;
    SFKZPTYRENGBTJ-UHFFFAOYSA-N    		 COc1cc(cc2c1cccc2)N; COc1cc(N)cc2ccccc12
    ; O(c2cc(cc1ccccc12)N)C    		 4-methoxynaphthalen-2-amine
    331 L94 2 C18 H36 N6 InChI=1S/C18H32N6/c1-23(2
    )13-5-11-21-17(19)15-7-9-
    16(10-8-15)18(20)22-12-6-
    14-24(3)4/h7-10H,5-6,11-1
    4H2,1-4H3,(H2,19,21)(H2,2
    0,22)/p+4;
    QAWYYAYHHZQCLB-UHFFFAOYSA-R    		 C[NH+](C)CCC[NH+]=C(c1ccc(cc1)/C(=[NH+]/
    CCC[NH+](C)C)/N)N; C(/c1ccc(C(/N)=[NH+]/
    CCC[NH+](C)C)cc1)(=[NH+]\CCC[NH+](C)C)N;
    C[NH+](C)CCC[NH+]=C(c1ccc(cc1)C(=[NH+]C
    CC[NH+](C)C)N)N; C[NH+](C)CCC[NH+]=C(N)c
    1ccc(cc1)C(N)=[NH+]CCC[NH+](C)C    		 N'-{(Z)-amino[4-(amino{[3-(dimethylammonio)propyl]iminio}methyl)phenyl]methylidene}-N,N-dimethylpropane-1,3-diaminium
    332 LC2
    CHEMBL1233965
    ZINC000100302768    		 2 C25 H33 N O7 InChI=1S/C25H33NO7/c1-14-
    6-9-18(28)10-8-15(2)12-21
    (26-23(31)17(4)27)25(5)22
    (30)16(3)20(33-24(25)32)1
    3-19(29)11-7-14/h6-8,10-1
    2,16,18-21,28-29H,9,13H2,
    1-5H3,(H,26,31)/b10-8+,11
    -7+,14-6+,15-12+/t16-,18+
    ,19-,20-,21-,25+/m1/s1;
    ATDILMLBOZKFGI-JUTMVFGESA-N    		 CC1C2CC(C=CC(=CCC(C=CC(=CC(C(C1=O)(C(=O)
    O2)C)NC(=O)C(=O)C)C)O)C)O; C[C@@H]1[C@H]
    2C[C@H](O)/C=C/C(=C/C[C@H](O)/C=C/C(=C/[
    C@@H](NC(=O)C(C)=O)[C@](C)(C(=O)O2)C1=O)
    C)C; C[C@@H]1[C@H]2C[C@@H](/C=C/C(=C/C[C
    @@H](/C=C/C(=C/[C@H]([C@@](C1=O)(C(=O)O2
    )C)NC(=O)C(=O)C)/C)O)/C)O; C[CH]1[CH]2C[
    CH](O)C=CC(=CC[CH](O)C=CC(=C[CH](NC(=O)C
    (C)=O)[C](C)(C(=O)O2)C1=O)C)C; O=C(C(=O)
    NC2C=C(C=CC(O)CC=C(C=CC(O)CC1OC(=O)C2(C(
    =O)C1C)C)C)C)C    		 N-[(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7,13-dihydroxy-1,4,10,19-tetramethyl-17,18-dioxo-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-2-yl]-2-oxopropanamide;
    Lankacidin C
    333 LHA
    ZINC000263620646    		 5 C37 H65 N7 O16 InChI=1S/C37H65N7O16/c38-
    8-6-19(47)34(53)44-18-12-
    17(40)30(58-36-24(42)29(5
    2)27(50)21(14-45)56-36)32
    (25(18)48)60-37-33(54-11-
    10-43-9-7-16-4-2-1-3-5-16
    )31(22(15-46)57-37)59-35-
    23(41)28(51)26(49)20(13-3
    9)55-35/h1-5,17-33,35-37,
    43,45-52H,6-15,38-42H2,(H
    ,44,53)/t17-,18+,19-,20-,
    21+,22+,23+,24+,25-,26+,2
    7+,28+,29+,30+,31+,32+,33
    +,35+,36+,37-/m0/s1;
    KITFYJSEQIOMTC-AFTVZRPJSA-N    		 c1ccc(cc1)CCNCCO[C@@H]2[C@@H]([C@H](O[C@
    H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[
    C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)
    O)N)N)NC(=O)[C@H](CCN)O)O)CO)O[C@@H]5[C@
    @H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N; NCC
    [CH](O)C(=O)N[CH]1C[CH](N)[CH](O[CH]2O[C
    H](CO)[CH](O)[CH](O)[CH]2N)[CH](O[CH]3O[
    CH](CO)[CH](O[CH]4O[CH](CN)[CH](O)[CH](O
    )[CH]4N)[CH]3OCCNCCc5ccccc5)[CH]1O; NCC[
    C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@
    H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C
    @H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@
    @H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@H]3OC
    CNCCc5ccccc5)[C@H]1O; c1ccc(cc1)CCNCCOC2
    C(C(OC2OC3C(C(CC(C3OC4C(C(C(C(O4)CO)O)O)
    N)N)NC(=O)C(CCN)O)O)CO)OC5C(C(C(C(O5)CN)
    O)O)N; O=C(NC5C(O)C(OC3OC(C(OC1OC(CN)C(O
    )C(O)C1N)C3OCCNCCc2ccccc2)CO)C(OC4OC(CO)
    C(O)C(O)C4N)C(N)C5)C(O)CCN    		 DOUBLY FUNCTIONALIZED PAROMOMYCIN PM-II-162;
    (2S)-4-AMINO-N-[(1R,2S,3R,4R,5S)-5-AMINO-4-[(2-AMINO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-3-{[3-O-(2,6-DIAMINO-2,6-DIDEO XY-BETA-L-IDOPYRANOSYL)-2-O-{2-[(2-PHENYLETHYL)AMINO]ETHYL}-BETA-D-RIBOFURANOSYL]OXY}-2-HYDROXYCYCLOHEXYL]-2-HYDROXYBUTA NAMIDE
    334 LIV
    CHEMBL389029
    DB04728
    ZINC000253673980    		 12 C29 H55 N5 O18 InChI=1S/C29H55N5O18/c30-
    3-11-23(51-28-20(43)19(42
    )17(40)13(5-36)47-28)18(4
    1)15(34)27(45-11)50-24-14
    (6-37)48-29(21(24)44)52-2
    5-16(39)7(31)1-8(32)22(25
    )49-26-9(33)2-10(38)12(4-
    35)46-26/h7-29,35-44H,1-6
    ,30-34H2/t7-,8+,9-,10+,11
    +,12-,13-,14-,15-,16+,17-
    ,18-,19+,20+,21-,22-,23-,
    24-,25-,26-,27-,28-,29+/m
    1/s1;
    DBLVDAUGBTYDFR-SWMBIRFSSA-N    		 C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@
    @H]2[C@@H](C[C@@H]([C@H](O2)CO)O)N)O[C@H
    ]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@
    H]([C@H]([C@@H]([C@@H](O4)CN)O[C@@H]5[C@
    H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)N)O)
    O)N; C1C(C(C(C(C1N)OC2C(CC(C(O2)CO)O)N)O
    C3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)OC5C(C(C(
    C(O5)CO)O)O)O)O)N)O)O)N; NC[C@@H]1O[C@H]
    (O[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO)O[C@@
    H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H
    ]4O[C@H](CO)[C@@H](O)C[C@H]4N)[C@H](N)[C
    @@H](O)[C@@H]1O[C@H]5O[C@H](CO)[C@@H](O)
    [C@H](O)[C@@H]5O; NC[CH]1O[CH](O[CH]2[CH
    ](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](N)C[
    CH](N)[CH]3O[CH]4O[CH](CO)[CH](O)C[CH]4N
    )[CH](N)[CH](O)[CH]1O[CH]5O[CH](CO)[CH](
    O)[CH](O)[CH]5O; O(C2C(OC1OC(CO)C(O)CC1N
    )C(N)CC(N)C2O)C5OC(C(OC4OC(CN)C(OC3OC(CO
    )C(O)C(O)C3O)C(O)C4N)C5O)CO    		 (2R,3S,4S,5S,6R)-2-((2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3S,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R ,5S,6R)-3-AMINO-5-HYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-4-HYDROXY-2-(HYDROXYMET HYL)-TETRAHYDROFURAN-3-YLOXY)-4-HYDROXY-TETRAHYDRO-2H-PYRAN-3-YLOXY)-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL;
    LIVIDOMYCIN A;
    O-2-AMINO-2,3-DIDEOXY-ALPHA-D-GLUCOPYRANOSYL-(1,4)-O-[BETA-D-MANNOPYRANOSYL-(1,4)-O-2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPY RANOSYL-(1,3)-BETA-D-RIBOFURANOSYL-(1,5)-2-DEOXY-D-STREPTAMINE
    335 LLL
    CHEMBL194126
    DB04729
    ZINC000008216590    		 90 C19 H39 N5 O7 InChI=1S/C19H39N5O7/c1-19
    (27)7-28-18(13(26)16(19)2
    4-2)31-15-11(23)5-10(22)1
    4(12(15)25)30-17-9(21)4-3
    -8(6-20)29-17/h8-18,24-27
    H,3-7,20-23H2,1-2H3/t8-,9
    +,10-,11+,12-,13+,14+,15-
    ,16+,17+,18+,19-/m0/s1;
    VEGXETMJINRLTH-BOZYPMBZSA-N    		 CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH]
    (N)C[CH](N)[CH](O[CH]3O[CH](CN)CC[CH]3N)
    [CH]2O; O(C2C(O)C(OC1OC(CN)CCC1N)C(N)CC2
    N)C3OCC(O)(C(NC)C3O)C; CC1(COC(C(C1NC)O)
    OC2C(CC(C(C2O)OC3C(CCC(O3)CN)N)N)N)O; C[
    C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2
    [C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C
    @@H](CC[C@H](O3)CN)N)N)N)O; CN[C@@H]1[C@
    @H](O)[C@H](OC[C@]1(C)O)O[C@H]2[C@H](N)C
    [C@H](N)[C@@H](O[C@H]3O[C@H](CN)CC[C@H]3
    N)[C@@H]2O    		 (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL;
    GENTAMICIN C1A
    336 LMA
    ZINC000263620420    		 2 C43 H74 O15 InChI=1S/C43H74O15/c1-20-
    18-42(13,49)38(47)26(7)36
    (54-30(11)45)25(6)35(22(3
    )28(9)44)57-40(48)27(8)37
    (24(5)34(20)58-41-23(4)32
    (50-15)17-21(2)52-41)56-3
    3-19-43(14,51-16)39(29(10
    )53-33)55-31(12)46/h20-29
    ,32-37,39,41,44,49H,17-19
    H2,1-16H3/t20-,21+,22+,23
    +,24+,25-,26+,27+,28+,29-
    ,32-,33-,34-,35+,36-,37-,
    39+,41-,42-,43+/m0/s1;
    FIYJFVCGASKYLV-QDYGBMDYSA-N    		 CC1CC(C(C(O1)OC2C(CC(C(=O)C(C(C(C(OC(=O)
    C(C(C2C)OC3CC(C(C(O3)C)OC(=O)C)(C)OC)C)C
    (C)C(C)O)C)OC(=O)C)C)(C)O)C)C)OC; CO[CH]
    1C[CH](C)O[CH](O[CH]2[CH](C)C[C](C)(O)C(
    =O)[CH](C)[CH](OC(C)=O)[CH](C)[CH](OC(=O
    )[CH](C)[CH](O[CH]3C[C](C)(OC)[CH](OC(C)
    =O)[CH](C)O3)[CH]2C)[CH](C)[CH](C)O)[CH]
    1C; O=C3OC(C(C)C(O)C)C(C)C(OC(=O)C)C(C(=
    O)C(O)(C)CC(C)C(OC1OC(C)CC(OC)C1C)C(C(OC
    2OC(C(OC(=O)C)C(OC)(C2)C)C)C3C)C)C; C[C@
    @H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]
    (C[C@](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(
    =O)[C@@H]([C@H]([C@@H]2C)O[C@H]3C[C@@]([
    C@@H]([C@@H](O3)C)OC(=O)C)(C)OC)C)[C@H](
    C)[C@@H](C)O)C)OC(=O)C)C)(C)O)C)C)OC; CO
    [C@H]1C[C@@H](C)O[C@@H](O[C@H]2[C@@H](C)
    C[C@](C)(O)C(=O)[C@H](C)[C@@H](OC(C)=O)[
    C@@H](C)[C@H](OC(=O)[C@H](C)[C@@H](O[C@H
    ]3C[C@@](C)(OC)[C@H](OC(C)=O)[C@H](C)O3)
    [C@@H]2C)[C@H](C)[C@@H](C)O)[C@@H]1C    		 Lankamycin;
    [(2S,3R,4R,6R)-6-[[(1S,2R,3S,4S,6S,8R,9S,10S,11R,14R)-9-acetyloxy-6-hydroxy-11-[(2R,3R)-3-hydroxybutan-2-yl]-3-[(2S,3R, 4S,6R)-4-methoxy-3,6-dimethyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-7,13-dioxo-12-oxacyclotetradec-1-yl]oxy]-4-methoxy- 2,4-dimethyl-oxan-3-yl] ethanoate
    337 LUJ
    CHEMBL4538701    		 6 C26 H51 N5 O13 InChI=1S/C26H51N5O13/c1-2
    -3-8-12(6-32)40-24(14(30)
    16(8)34)42-21-10(29)4-9(2
    8)17(35)23(21)44-26-20(38
    )22(13(7-33)41-26)43-25-1
    5(31)19(37)18(36)11(5-27)
    39-25/h8-26,32-38H,2-7,27
    -31H2,1H3/t8-,9-,10+,11+,
    12-,13-,14-,15-,16+,17+,1
    8-,19-,20-,21-,22-,23-,24
    -,25-,26+/m1/s1;
    GSHRTHLCTXGYPA-RNNXBIGMSA-N    		 CCC[C@H]1[C@H](O)[C@@H](N)[C@H](O[C@@H]1
    CO)O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C
    @H]2O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@
    @H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@H]3O;
    CCCC1C(OC(C(C1O)N)OC2C(CC(C(C2OC3C(C(C(
    O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N)N)CO;
    CCC[CH]1[CH](O)[CH](N)[CH](O[CH]1CO)O[C
    H]2[CH](N)C[CH](N)[CH](O)[CH]2O[CH]3O[CH
    ](CO)[CH](O[CH]4O[CH](CN)[CH](O)[CH](O)[
    CH]4N)[CH]3O; CCCC1C(CO)OC(C(C1O)N)OC2C(
    N)CC(C(C2OC3OC(CO)C(C3O)OC4OC(CN)C(O)C(O
    )C4N)O)N; CCC[C@@H]1[C@H](O[C@@H]([C@@H]
    ([C@H]1O)N)O[C@@H]2[C@H](C[C@H]([C@@H]([
    C@H]2O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[
    C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O
    )O)N)O)O)N)N)CO    		 (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside;
    propylamycin
    338 LXI 8 C13 H17 N8 O6 P S InChI=1S/C13H17N8O6PS/c14
    -12-18-9-6(10(24)19-12)17
    -4-20(9)11-8(23)7(22)5(27
    -11)3-26-28(25,29)21-2-1-
    16-13(21)15/h1-2,4-5,7-8,
    11,22-23H,3H2,(H2,15,16)(
    H,25,29)(H3,14,18,19,24)/
    t5-,7-,8-,11-,28-/m1/s1;
    KURJQYGWAXZKPO-RMPAVHDKSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](S)
    (=O)n4ccnc4N)[CH](O)[CH]3O; NC1=Nc2n(cnc
    2C(=O)N1)[C@@H]3O[C@H](CO[P@](S)(=O)n4cc
    nc4N)[C@@H](O)[C@H]3O; c1cn(c(n1)N)[P@@]
    (=O)(OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cn
    c4c3N=C(NC4=O)N)O)O)S; Nc1nccn1P(=O)(S)O
    CC1OC(n2cnc3c2N=C(N)NC3=O)C(O)C1O; c1cn(
    c(n1)N)P(=O)(OCC2C(C(C(O2)n3cnc4c3N=C(NC
    4=O)N)O)O)S    		 5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(sulfanyl)phosphoryl]guanosine
    339 LXR 1 C13 H17 N8 O6 P InChI=1S/C13H17N8O6P/c14-
    10-7-11(18-4-17-10)20(5-1
    9-7)12-9(23)8(22)6(27-12)
    3-26-28(24,25)21-2-1-16-1
    3(21)15/h1-2,4-6,8-9,12,2
    2-23H,3H2,(H2,15,16)(H,24
    ,25)(H2,14,17,18)/t6-,8-,
    9-,12-/m1/s1;
    VRUNWCWGNRYOCC-WOUKDFQISA-N    		 c1cn(c(n1)N)P(=O)(O)OCC2C(C(C(O2)n3cnc4c
    3ncnc4N)O)O; Nc1nccn1P(=O)(O)OCC1OC(n2cn
    c3c(N)ncnc32)C(O)C1O; Nc1nccn1[P](O)(=O)
    OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(
    N)ncnc34; c1cn(c(n1)N)P(=O)(O)OC[C@@H]2[
    C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O;
    Nc1nccn1[P](O)(=O)OC[CH]2O[CH]([CH](O)[
    CH]2O)n3cnc4c(N)ncnc34    		 5'-O-[(S)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]adenosine
    340 LYA
    CHEMBL225072
    DB00642
    ZINC000001540998    		 2 C20 H21 N5 O6 InChI=1S/C20H21N5O6/c21-2
    0-24-16-15(18(29)25-20)12
    (9-22-16)6-3-10-1-4-11(5-
    2-10)17(28)23-13(19(30)31
    )7-8-14(26)27/h1-2,4-5,9,
    13H,3,6-8H2,(H,23,28)(H,2
    6,27)(H,30,31)(H4,21,22,2
    4,25,29)/t13-/m0/s1;
    WBXPDJSOTKVWSJ-ZDUSSCGKSA-N    		 NC1=NC(=O)c2c(CCc3ccc(cc3)C(=O)N[CH](CCC
    (O)=O)C(O)=O)c[nH]c2N1; NC1=NC(=O)c2c(CC
    c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c
    [nH]c2N1; O=C(O)C(NC(=O)c1ccc(cc1)CCc2cn
    c3NC(=NC(=O)c23)N)CCC(=O)O; c1cc(ccc1CCc
    2c[nH]c3c2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O
    )C(=O)O; c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(
    N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O    		 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID;
    LY231514
    341 LYS 15 C6 H15 N2 O2 InChI=1S/C6H14N2O2/c7-4-2
    -1-3-5(8)6(9)10/h5H,1-4,7
    -8H2,(H,9,10)/p+1/t5-/m0/
    s1;
    KDXKERNSBIXSRK-YFKPBYRVSA-O    		 N[CH](CCCC[NH3+])C(O)=O; O=C(O)C(N)CCCC[
    NH3+]; C(CC[NH3+])C[C@@H](C(=O)O)N; N[C@
    @H](CCCC[NH3+])C(O)=O; C(CC[NH3+])CC(C(=
    O)O)N    		 LYSINE
    342 M2D 2 C26 H37 N3 O7 InChI=1S/C26H37N3O7/c1-15
    (2)24-17(4)8-9-22(32)27-1
    0-6-7-16(3)11-19(30)12-20
    (31)13-23-29-21(14-35-23)
    25(33)28-18(5)26(34)36-24
    /h6-9,11,14-15,17-20,24,3
    0-31H,10,12-13H2,1-5H3,(H
    ,27,32)(H,28,33)/b7-6-,9-
    8+,16-11+/t17-,18-,19-,20
    +,24-/m1/s1;
    SAQNYTQFLPVTNJ-YHZICBGDSA-N    		 CC(C)[CH]1OC(=O)[CH](C)NC(=O)c2coc(C[CH]
    (O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1C)n2;
    CC1C=CC(=O)NCC=CC(=CC(CC(Cc2nc(co2)C(=O
    )NC(C(=O)OC1C(C)C)C)O)O)C; C[C@@H]1/C=C/
    C(=O)NC/C=C\C(=C\[C@H](C[C@@H](Cc2nc(co2
    )C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)C)O)O)\
    C; CC(C)[C@H]1OC(=O)[C@@H](C)NC(=O)c2coc
    (C[C@@H](O)C[C@H](O)/C=C(C)/C=C\CNC(=O)/
    C=C/[C@H]1C)n2    		 Madumycin II
    343 M5Z
    ZINC000263620627    		 1 C32 H53 N5 O14 InChI=1S/C32H53N5O14/c33-
    9-15-22(40)23(41)19(36)30
    (45-15)50-27-16(10-38)46-
    32(25(27)43)51-29-21(39)1
    3(34)8-14(35)26(29)49-31-
    20(37)24(42)28-17(47-31)1
    1-44-18(48-28)7-6-12-4-2-
    1-3-5-12/h1-5,13-32,38-43
    H,6-11,33-37H2/t13-,14+,1
    5+,16-,17-,18-,19-,20-,21
    +,22-,23-,24-,25-,26-,27-
    ,28-,29-,30-,31-,32+/m1/s
    1;
    JVOSAEIJIXVWJU-TZWNKDFKSA-N    		 c1ccc(cc1)CC[C@@H]2OC[C@@H]3[C@@H](O2)[C
    @@H]([C@H]([C@H](O3)O[C@@H]4[C@H](C[C@H]
    ([C@@H]([C@H]4O[C@H]5[C@@H]([C@@H]([C@H]
    (O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@@H
    ](O6)CN)O)O)N)O)O)N)N)N)O; c1ccc(cc1)CCC
    2OCC3C(O2)C(C(C(O3)OC4C(CC(C(C4OC5C(C(C(
    O5)CO)OC6C(C(C(C(O6)CN)O)O)N)O)O)N)N)N)O
    ; NC[CH]1O[CH](O[CH]2[CH](CO)O[CH](O[CH]
    3[CH](O)[CH](N)C[CH](N)[CH]3O[CH]4O[CH]5
    CO[CH](CCc6ccccc6)O[CH]5[CH](O)[CH]4N)[C
    H]2O)[CH](N)[CH](O)[CH]1O; NC[C@@H]1O[C@
    H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@
    @H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@
    @H]5CO[C@@H](CCc6ccccc6)O[C@H]5[C@H](O)[
    C@H]4N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1
    O; O4C(OC3C(N)CC(N)C(O)C3OC2OC(CO)C(OC1O
    C(CN)C(O)C(O)C1N)C2O)C(N)C(O)C5OC(OCC45)
    CCc6ccccc6    		 (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-4,6-O-[(1R)-3-phenylpropylidene]-alpha-D-glucopyranoside
    344 M7M
    ZINC000098209154    		 1 C13 H23 N5 O11 P2 InChI=1S/C13H23N5O11P2/c1
    -16(2)13-14-10-7(11(21)15
    -13)17(3)5-18(10)12-9(20)
    8(19)6(28-12)4-27-31(25,2
    6)29-30(22,23)24/h6,8-9,1
    2,19-20H,4-5H2,1-3H3,(H,2
    5,26)(H,14,15,21)(H2,22,2
    3,24)/t6-,8-,9-,12-/m1/s1;
    DHQQIEJARUGVNZ-WOUKDFQISA-N    		 CN(C)C1=NC(=O)C2=C(N1)N(CN2C)[C@@H]3O[C@
    H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@
    H]3O; CN1CN(C2=C1C(=O)N=C(N2)N(C)C)[C@H]
    3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP
    (=O)(O)O)O)O; CN(C)C1=NC(=O)C2=C(N1)N(CN
    2C)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[
    CH](O)[CH]3O; CN1CN(C2=C1C(=O)N=C(N2)N(C
    )C)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O;
    O=P(O)(O)OP(=O)(O)OCC3OC(N1C2=C(N(C1)C)C
    (=O)N=C(N(C)C)N2)C(O)C3O    		 N,N,7-trimethylguanosine 5'-(trihydrogen diphosphate)
    345 MES
    CHEMBL1234276
    DB03814
    ZINC000001583444    		 12 C6 H13 N O4 S InChI=1S/C6H13NO4S/c8-12(
    9,10)6-3-7-1-4-11-5-2-7/h
    1-6H2,(H,8,9,10);
    SXGZJKUKBWWHRA-UHFFFAOYSA-N    		 [O-][S](=O)(=O)CC[NH+]1CCOCC1; C1COCC[NH
    +]1CCS(=O)(=O)[O-]; [O-]S(=O)(=O)CC[NH+]
    1CCOCC1    		 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
    346 MET
    CHEMBL42336
    DB00134
    ZINC000001532529    		 13 C5 H11 N O2 S InChI=1S/C5H11NO2S/c1-9-3
    -2-4(6)5(7)8/h4H,2-3,6H2,
    1H3,(H,7,8)/t4-/m0/s1;
    FFEARJCKVFRZRR-BYPYZUCNSA-N    		 CSCC[CH](N)C(O)=O; CSCCC(C(=O)O)N; CSCC[
    C@H](N)C(O)=O; CSCC[C@@H](C(=O)O)N; O=C(
    O)C(N)CCSC    		 METHIONINE
    347 MG
    DB01378    		 0 Mg InChI=1S/Mg/q+2;
    JLVVSXFLKOJNIY-UHFFFAOYSA-N    		 [Mg+2]; [Mg++] MAGNESIUM ION
    348 MGR
    CHEMBL1181633
    DB03895
    ZINC000003953819    		 1 C23 H25 N2 InChI=1S/C23H25N2/c1-24(2
    )21-14-10-19(11-15-21)23(
    18-8-6-5-7-9-18)20-12-16-
    22(17-13-20)25(3)4/h5-17H
    ,1-4H3/q+1;
    VFCNQNZNPKRXIT-UHFFFAOYSA-N    		 CN(C)c1ccc(cc1)C(c2ccccc2)=C3C=CC(C=C3)=
    [N+](C)C; CN(C)c1ccc(cc1)C(=C2C=CC(=[N+]
    (C)C)C=C2)c3ccccc3; C(=C1\C=C/C(=[N+](/C
    )C)C=C1)(\c2ccccc2)c3ccc(N(C)C)cc3    		 MALACHITE GREEN
    349 MGX
    ZINC000004658576    		 2 C2 H7 N3 InChI=1S/C2H7N3/c1-5-2(3)
    4/h1H3,(H4,3,4,5);
    CHJJGSNFBQVOTG-UHFFFAOYSA-N    		 [H]/N=C(/N)\NC; CNC(N)=N; [N@H]=C(N)NC;
    [H]N=C(N)NC    		 1-METHYLGUANIDINE
    350 MIV
    ZINC000087528531    		 1 C37 H61 N O11 InChI=1S/C37H61NO11/c1-11
    -29-26(20-45-37-35(44-10)
    34(43-9)31(41)25(6)47-37)
    14-12-13-15-28(39)22(3)18
    -23(4)33(21(2)16-17-30(40
    )48-29)49-36-32(42)27(38(
    7)8)19-24(5)46-36/h12-17,
    21-27,29,31-37,41-42H,11,
    18-20H2,1-10H3/b14-12+,15
    -13+,17-16+/t21-,22+,23-,
    24+,25+,26+,27-,29+,31+,3
    2+,33+,34+,35+,36-,37+/m0
    /s1;
    DBTIHDIIXPQOFR-JMHKOBKLSA-N    		 CC[CH]1OC(=O)C=C[CH](C)[CH](O[CH]2O[CH](
    C)C[CH]([CH]2O)N(C)C)[CH](C)C[CH](C)C(=O
    )C=CC=C[CH]1CO[CH]3O[CH](C)[CH](O)[CH](O
    C)[CH]3OC; CC[C@H]1OC(=O)\C=C\[C@H](C)[C
    @@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(
    C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C\C=C\[C@
    @H]1CO[C@@H]3O[C@H](C)[C@@H](O)[C@@H](OC
    )[C@H]3OC; CCC1C(C=CC=CC(=O)C(CC(C(C(C=C
    C(=O)O1)C)OC2C(C(CC(O2)C)N(C)C)O)C)C)COC
    3C(C(C(C(O3)C)O)OC)OC; CC[C@@H]1[C@H](\C
    =C\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H](
    \C=C\C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H
    ](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]
    ([C@@H]([C@H](O3)C)O)OC)OC    		 MYCINAMICIN IV
    351 MIX
    CHEMBL58
    DB01204
    ZINC000003794794    		 1 C22 H28 N4 O6 InChI=1S/C22H28N4O6/c27-1
    1-9-23-5-7-25-13-1-2-14(2
    6-8-6-24-10-12-28)18-17(1
    3)21(31)19-15(29)3-4-16(3
    0)20(19)22(18)32/h1-4,23-
    30H,5-12H2;
    KKZJGLLVHKMTCM-UHFFFAOYSA-N    		 OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)
    c3C(=O)c12; O=C2c1c(c(NCCNCCO)ccc1NCCNCC
    O)C(=O)c3c2c(O)ccc3O; c1cc(c2c(c1NCCNCCO
    )C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO    		 1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-9,10-ANTHRACENEDIONE;
    MITOXANTRONE;
    1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)ANTHRA-9,10-QUINONE
    352 MLI
    DB02201    		 4 C3 H2 O4 InChI=1S/C3H4O4/c4-2(5)1-
    3(6)7/h1H2,(H,4,5)(H,6,7)
    /p-2;
    OFOBLEOULBTSOW-UHFFFAOYSA-L    		 [O-]C(=O)CC([O-])=O; C(C(=O)[O-])C(=O)[O
    -]    		 MALONATE ION
    353 MMC 4 C H3 Hg InChI=1S/CH3.Hg/h1H3;/q;+
    1;
    DBUXSCUEGJMZAE-UHFFFAOYSA-N    		 C[Hg+]; [Hg+]C METHYL MERCURY ION
    354 MMP 1 C35 H40 N4 O4 InChI=1S/C35H40N4O4/c1-8-
    22-18(3)28-17-33-23(9-2)2
    1(6)32(39(33)7)16-27-20(5
    )25(11-13-35(42)43)31(38-
    27)15-30-24(10-12-34(40)4
    1)19(4)26(36-30)14-29(22)
    37-28/h14-17,36H,8-13H2,1
    -7H3,(H,40,41)(H,42,43)/b
    26-14-,27-16-,28-17-,29-1
    4-,30-15-,31-15-,32-16-,3
    3-17-;
    YNWHQWMCLCANDI-YIYRCNGCSA-N    		 CCc1c(C)c2cc3n(C)c(cc4nc(cc5[nH]c(cc1n2)
    c(C)c5CCC(O)=O)c(CCC(O)=O)c4C)c(C)c3CC;
    O=C(O)CCc3c(c4cc1nc(C(=C1CC)C)cc5n(c(cc2
    nc(C(=C2C)CCC(=O)O)cc3n4)c(c5CC)C)C)C; C
    Cc1c(c2cc3nc(cc4c(c(c([nH]4)cc5nc(cc1n2C
    )C(=C5CC)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C;
    CCc1c(c2cc3nc(\cc/4\c(c(/c(/[nH]4)c/c5n
    /c(c\c1n2C)/C(=C5CC)C)C)CCC(=O)O)C(=C3C)
    CCC(=O)O)C    		 N-METHYLMESOPORPHYRIN
    355 MN
    DB06757    		 732 Mn InChI=1S/Mn/q+2;
    WAEMQWOKJMHJLA-UHFFFAOYSA-N    		 [Mn+2]; [Mn++] MANGANESE (II) ION
    356 MPD
    DB03564
    ZINC000000388075    		 222 C6 H14 O2 InChI=1S/C6H14O2/c1-5(7)4
    -6(2,3)8/h5,7-8H,4H2,1-3H
    3/t5-/m0/s1;
    SVTBMSDMJJWYQN-YFKPBYRVSA-N    		 C[C@H](O)CC(C)(C)O; CC(CC(C)(C)O)O; C[C@
    @H](CC(C)(C)O)O; C[CH](O)CC(C)(C)O; OC(C
    )CC(O)(C)C    		 (4S)-2-METHYL-2,4-PENTANEDIOL
    357 MQ6
    ZINC000021992892    		 2 C28 H37 N O9 InChI=1S/C28H37NO9/c1-26(
    2,32)8-9-28(33,15-22(30)3
    5-4)25(31)38-24-21(34-3)1
    4-27-7-5-10-29(27)11-6-17
    -12-19-20(37-16-36-19)13-
    18(17)23(24)27/h12-14,23-
    24,32-33H,5-11,15-16H2,1-
    4H3/t23-,24-,27+,28+/m1/s
    1;
    HAVJATCHLFRDHY-ZBVBGGFBSA-N    		 COC(=O)C[C@@](O)(CCC(C)(C)O)C(=O)O[C@H]1
    [C@H]2c3cc4OCOc4cc3CCN5CCC[C@]25C=C1OC;
    CC(C)(CC[C@](CC(=O)OC)(C(=O)O[C@H]1[C@H]
    2c3cc4c(cc3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O
    )O; CC(C)(CCC(CC(=O)OC)(C(=O)OC1C2c3cc4c
    (cc3CCN5C2(CCC5)C=C1OC)OCO4)O)O; COC(=O)
    C[C](O)(CCC(C)(C)O)C(=O)O[CH]1[CH]2c3cc4
    OCOc4cc3CCN5CCC[C]25C=C1OC; O=C(OC)CC(O)
    (CCC(C)(C)O)C(=O)OC1C2c3cc4OCOc4cc3CCN3C
    CCC23C=C1OC    		 Harringtonine;
    (9R)-O~3~-[(2S)-2,5-dihydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine
    358 MQC 4 C18 H18 N4 O InChI=1S/C18H18N4O/c1-11-
    8-17(22-13-4-3-5-14(10-13
    )23-2)15-9-12(18(19)20)6-
    7-16(15)21-11/h3-10H,1-2H
    3,(H3,19,20)(H,21,22);
    FPVZIQCHGNLJIP-UHFFFAOYSA-N    		 N=C(/N)c2cc1c(cc(nc1cc2)C)Nc3cccc(c3)OC;
    Cc1cc(c2cc(ccc2n1)C(=N)N)Nc3cccc(c3)OC;
    [H]/N=C(\c1ccc2c(c1)c(cc(n2)C)Nc3cccc(c
    3)OC)/N; COc1cccc(Nc2cc(C)nc3ccc(cc23)C(
    N)=N)c1    		 4-[(3-methoxyphenyl)amino]-2-methylquinoline-6-carboximidamide
    359 MRD
    ZINC000003860897    		 1 C6 H14 O2 InChI=1S/C6H14O2/c1-5(7)4
    -6(2,3)8/h5,7-8H,4H2,1-3H
    3/t5-/m1/s1;
    SVTBMSDMJJWYQN-RXMQYKEDSA-N    		 C[C@@H](O)CC(C)(C)O; CC(CC(C)(C)O)O; C[C
    @H](CC(C)(C)O)O; C[CH](O)CC(C)(C)O; OC(C
    )CC(O)(C)C    		 (4R)-2-METHYLPENTANE-2,4-DIOL
    360 MS6
    CHEMBL36661    		 2 C5 H13 N S2 InChI=1S/C5H13NS2/c1-8-3-
    2-5(6)4-7/h5,7H,2-4,6H2,1
    H3/t5-/m0/s1;
    NSPBTQHSHXESOT-YFKPBYRVSA-N    		 CSCCC(CS)N; C(N)(CS)CCSC; CSCC[C@H](N)CS
    ; CSCC[C@@H](CS)N; CSCC[CH](N)CS    		 (2S)-2-amino-4-(methylsulfanyl)butane-1-thiol
    361 MT9
    CHEMBL489347
    ZINC000008436988    		 3 C25 H43 N O7 InChI=1S/C25H43NO7/c1-9-2
    0-25(6,30)11-10-19(27)14(
    2)12-15(3)22(17(5)23(29)3
    2-20)33-24-21(28)18(26(7)
    8)13-16(4)31-24/h10-11,14
    -18,20-22,24,28,30H,9,12-
    13H2,1-8H3/b11-10+/t14-,1
    5+,16-,17-,18+,20-,21-,22
    +,24+,25+/m1/s1;
    HUKYPYXOBINMND-HYUJHOPRSA-N    		 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C
    @H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C
    @@H](C)C(=O)/C=C/[C@]1(C)O; CC[CH]1OC(=O
    )[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)
    N(C)C)[CH](C)C[CH](C)C(=O)C=C[C]1(C)O; O
    =C2OC(CC)C(O)(C=CC(=O)C(C)CC(C(OC1OC(CC(
    N(C)C)C1O)C)C2C)C)C; CCC1C(C=CC(=O)C(CC(
    C(C(C(=O)O1)C)OC2C(C(CC(O2)C)N(C)C)O)C)C
    )(C)O; CC[C@@H]1[C@@](\C=C\C(=O)[C@@H](C
    [C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2[C@
    @H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(C)O    		 (3R,4S,5S,7R,9E,11S,12R)-12-ethyl-11-hydroxy-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside;
    methymycin
    362 MTA
    CHEMBL277041
    DB02282
    ZINC000004228245    		 9 C11 H15 N5 O3 S InChI=1S/C11H15N5O3S/c1-2
    0-2-5-7(17)8(18)11(19-5)1
    6-4-15-6-9(12)13-3-14-10(
    6)16/h3-5,7-8,11,17-18H,2
    H2,1H3,(H2,12,13,14)/t5-,
    7-,8-,11-/m1/s1;
    WUUGFSXJNOTRMR-IOSLPCCCSA-N    		 CSCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O; CSC[C@
    H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncn
    c23; n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSC)N;
    CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)n
    cnc23; CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n
    2cnc3c2ncnc3N)O)O    		 5'-DEOXY-5'-METHYLTHIOADENOSINE
    363 MUL
    CHEMBL1234521
    DB11468
    ZINC000004217557    		 5 C28 H47 N O4 S InChI=1S/C28H47NO4S/c1-8-
    26(6)17-22(33-23(31)18-34
    -16-15-29(9-2)10-3)27(7)1
    9(4)11-13-28(20(5)25(26)3
    2)14-12-21(30)24(27)28/h8
    ,19-20,22,24-25,32H,1,9-1
    8H2,2-7H3/t19-,20+,22-,24
    +,25+,26-,27+,28+/m1/s1;
    UURAUHCOJAIIRQ-QGLSALSOSA-N    		 O=C2CCC13C(C(O)C(\C=C)(C)CC(OC(=O)CSCCN(
    CC)CC)C(C(CC1)C)(C)C23)C; CCN(CC)CCSCC(=
    O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[
    C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C
    =C; CCN(CC)CCSCC(=O)O[C@@H]1C[C@@](C)(C=
    C)[C@@H](O)[C@H](C)[C@@]23CC[C@@H](C)[C@
    ]1(C)[C@@H]2C(=O)CC3; CCN(CC)CCSCC(=O)OC
    1CC(C(C(C23CCC(C1(C2C(=O)CC3)C)C)C)O)(C)
    C=C; CCN(CC)CCSCC(=O)O[CH]1C[C](C)(C=C)[
    CH](O)[CH](C)[C]23CC[CH](C)[C]1(C)[CH]2C
    (=O)CC3    		 TIAMULIN;
    (4R,5S,6S,8R,9AR,10R)-5-HYDROXY-4,6,9,10-TETRAMETHYL-1-OXO-6-VINYLDECAHYDRO-3A,9-PROPANOCYCLOPENTA[8]ANNULEN-8-YL {[2-(DIETHYLAMINO)ETHYL]SULFANYL}ACETATE
    364 MVM
    CHEMBL4109308    		 8 C22 H20 Cl N7 O InChI=1S/C22H20ClN7O/c23-
    18-5-2-12-25-20(18)29(17-
    4-1-11-24-14-17)22(31)15-
    7-9-16(10-8-15)30-21-19(2
    7-28-30)6-3-13-26-21/h2-3
    ,5-10,12-13,17,24H,1,4,11
    ,14H2/t17-/m1/s1;
    FDTXHWQFIXYHCL-QGZVFWFLSA-N    		 Clc1cccnc1N([CH]2CCCNC2)C(=O)c3ccc(cc3)n
    4nnc5cccnc45; Clc1cccnc1N([C@@H]2CCCNC2)
    C(=O)c3ccc(cc3)n4nnc5cccnc45; c1cc2c(nc1
    )n(nn2)c3ccc(cc3)C(=O)N(c4c(cccn4)Cl)C5C
    CCNC5; c1cc2c(nc1)n(nn2)c3ccc(cc3)C(=O)N
    (c4c(cccn4)Cl)[C@@H]5CCCNC5; C1CC(CNC1)N
    (c2c(Cl)cccn2)C(c3ccc(cc3)n5c4ncccc4nn5)
    =O    		 N-(3-chloropyridin-2-yl)-N-[(3R)-piperidin-3-yl]-4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide
    365 MYL
    CHEMBL497719
    ZINC000026175752    		 1 C24 H41 N O10 InChI=1S/C24H41NO10/c1-12
    -9-24(31-7,35-14(3)13(12)
    2)19(28)21(29)25-22-18-17
    (32-11-33-22)20(30-6)23(4
    ,5)16(34-18)8-15(27)10-26
    /h13-20,22,26-28H,1,8-11H
    2,2-7H3,(H,25,29)/t13-,14
    -,15+,16-,17+,18+,19-,20-
    ,22-,24-/m1/s1;
    IJASURGZDJYQGF-RXLGVIKCSA-N    		 CC1C(OC(CC1=C)(C(C(=O)NC2C3C(C(C(C(O3)CC
    (CO)O)(C)C)OC)OCO2)O)OC)C; CO[C@@H]1[C@H
    ]2OCO[C@@H](NC(=O)[C@@H](O)[C@]3(CC(=C)[
    C@@H](C)[C@@H](C)O3)OC)[C@H]2O[C@H](C[C@
    H](O)CO)C1(C)C; CO[CH]1[CH]2OCO[CH](NC(=
    O)[CH](O)[C]3(CC(=C)[CH](C)[CH](C)O3)OC)
    [CH]2O[CH](C[CH](O)CO)C1(C)C; O=C(NC2OCO
    C1C(OC)C(C(OC12)CC(O)CO)(C)C)C(O)C3(OC)O
    C(C)C(C(=C)/C3)C; C[C@H]1[C@H](O[C@](CC1
    =C)([C@@H](C(=O)N[C@H]2[C@@H]3[C@@H]([C@
    H](C([C@H](O3)C[C@@H](CO)O)(C)C)OC)OCO2)
    O)OC)C    		 Mycalamide A;
    (2S)-N-{(4R,4aS,6R,8S,8aR)-6-[(2S)-2,3-dihydroxypropyl]-8-methoxy-7,7-dimethylhexahydropyrano[3,2-d][1,3]dioxin-4-yl}-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylidenetetrahydro-2H-pyran-2-yl]ethanamide
    366 N
    ZINC000005850787    		 2 C5 H11 O7 P InChI=1S/C5H11O7P/c6-3-1-
    11-4(5(3)7)2-12-13(8,9)10
    /h3-7H,1-2H2,(H2,8,9,10)/
    t3-,4+,5-/m0/s1;
    CYZZKTRFOOKUMT-LMVFSUKVSA-N    		 O=P(OCC1OCC(O)C1O)(O)O; O[CH]1CO[CH](CO[
    P](O)(O)=O)[CH]1O; C1C(C(C(O1)COP(=O)(O)
    O)O)O; O[C@H]1CO[C@H](CO[P](O)(O)=O)[C@H
    ]1O; C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)
    O)O)O    		 ANY 5'-MONOPHOSPHATE NUCLEOTIDE;
    1-DEOXY-RIBOFURANOSE-5'-PHOSPHATE
    367 N2P
    CHEMBL119296
    DB03854
    ZINC000001529253    		 9 C5 H14 N2 InChI=1S/C5H14N2/c6-4-2-1
    -3-5-7/h1-7H2;
    VHRGRCVQAFMJIZ-UHFFFAOYSA-N    		 NCCCCCN; C(CCN)CCN PENTANE-1,5-DIAMINE
    368 N30
    CHEMBL474967
    ZINC000044018455    		 2 C17 H34 N4 O10 InChI=1S/C17H34N4O10/c18-
    2-6-10(24)13(27)17(28-6)3
    1-15-9(23)4(19)1-5(20)14(
    15)30-16-8(21)12(26)11(25
    )7(3-22)29-16/h4-17,22-27
    H,1-3,18-21H2/t4-,5+,6-,7
    -,8-,9+,10-,11-,12-,13-,1
    4-,15-,16-,17+/m1/s1;
    FNBQIDOUCINBIA-VVPCINPTSA-N    		 O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)
    C3OC(C(O)C3O)CN; NC[C@H]1O[C@@H](O[C@@H]
    2[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O[C@H]3
    O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H]
    (O)[C@@H]1O; NC[CH]1O[CH](O[CH]2[CH](O)[
    CH](N)C[CH](N)[CH]2O[CH]3O[CH](CO)[CH](O
    )[CH](O)[CH]3N)[CH](O)[CH]1O; C1[C@H]([C
    @@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]
    ([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[
    C@@H]([C@@H]([C@H](O3)CN)O)O)O)N; C1C(C(
    C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(
    O3)CN)O)O)O)N    		 (1R,2R,3S,4R,6S)-4,6-DIAMINO-2-[(5-AMINO-5-DEOXY-BETA-D-RIBOFURANOSYL)OXY]-3-HYDROXYCYCLOHEXYL 2-AMINO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE
    369 N33
    ZINC000064436308    		 2 C19 H38 N4 O12 InChI=1S/C19H38N4O12/c20-
    5-1-6(21)15(14(29)11(5)26
    )35-19-10(23)17(13(28)8(3
    -25)34-19)32-4-31-16-9(22
    )18(30)33-7(2-24)12(16)27
    /h5-19,24-30H,1-4,20-23H2
    /t5-,6+,7-,8-,9-,10-,11+,
    12-,13-,14-,15-,16-,17-,1
    8+,19-/m1/s1;
    BKAACSMFIQVWGC-LZHQQFSOSA-N    		 O(C1C(O)C(O)C(N)CC1N)C3OC(C(O)C(OCOC2C(N
    )C(O)OC(CO)C2O)C3N)CO; C1C(C(C(C(C1N)OC2
    C(C(C(C(O2)CO)O)OCOC3C(C(OC(C3O)CO)O)N)N
    )O)O)N; N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O
    [C@H](CO)[C@@H](O)[C@H](OCO[C@@H]3[C@@H]
    (N)[C@@H](O)O[C@H](CO)[C@H]3O)[C@H]2N)[C
    @H](O)[C@H]1O; N[CH]1C[CH](N)[CH](O[CH]2
    O[CH](CO)[CH](O)[CH](OCO[CH]3[CH](N)[CH]
    (O)O[CH](CO)[CH]3O)[CH]2N)[CH](O)[CH]1O;
    C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C
    @@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O
    CO[C@@H]3[C@H]([C@H](O[C@@H]([C@H]3O)CO)
    O)N)N)O)O)N
    370 N6E
    CHEMBL1199042
    ZINC000049774268    		 1 C11 H18 N5 O13 P3 InChI=1S/C11H18N5O13P3/c1
    -12-9-6-10(14-3-13-9)16(4
    -15-6)11-8(18)7(17)5(27-1
    1)2-26-31(22,23)29-32(24,
    25)28-30(19,20)21/h3-5,7-
    8,11,17-18H,2H2,1H3,(H,22
    ,23)(H,24,25)(H,12,13,14)
    (H2,19,20,21)/t5-,7-,8-,1
    1-/m1/s1;
    LCQWKKZWHQFOAH-IOSLPCCCSA-N    		 CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)
    OP(=O)(O)OP(=O)(O)O)O)O; CNc1c2c(ncn1)n(
    cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)
    (O)OP(=O)(O)OP(=O)(O)O)O)O; CNc1ncnc2n(c
    nc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O
    [P](O)(O)=O)[CH](O)[CH]3O; CNc1ncnc2n(cn
    c12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O
    )O[P](O)(O)=O)[C@@H](O)[C@H]3O    		 N6-Methyladenosine 5'-triphosphate
    371 N6M
    CHEMBL1738843
    ZINC000000391197    		 1 C6 H7 N5 InChI=1S/C6H7N5/c1-7-5-4-
    6(10-2-8-4)11-3-9-5/h2-3H
    ,1H3,(H2,7,8,9,10,11);
    CKOMXBHMKXXTNW-UHFFFAOYSA-N    		 CNc1ncnc2[nH]cnc12; n2c1c(ncn1)c(nc2)NC;
    CNc1c2c([nH]cn2)ncn1    		 N-METHYL-9H-PURIN-6-AMINE;
    N6-METHYL ADENINE
    372 NA
    DB14516    		 4957 Na InChI=1S/Na/q+1;
    FKNQFGJONOIPTF-UHFFFAOYSA-N    		 [Na+] SODIUM ION
    373 NAD
    CHEMBL1234613
    DB14128    		 36 C21 H27 N7 O14 P2 InChI=1S/C21H27N7O14P2/c2
    2-17-12-19(25-7-24-17)28(
    8-26-12)21-16(32)14(30)11
    (41-21)6-39-44(36,37)42-4
    3(34,35)38-5-10-13(29)15(
    31)20(40-10)27-3-1-2-9(4-
    27)18(23)33/h1-4,7-8,10-1
    1,13-16,20-21,29-32H,5-6H
    2,(H5-,22,23,24,25,33,34,
    35,36,37)/t10-,11-,13-,14
    -,15-,16-,20-,21-/m1/s1;
    BAWFJGJZGIEFAR-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(N)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)n4cnc5c4ncnc5
    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(N)ncnc45)[C
    H](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)n4c
    nc5c4ncnc5N)O)O)O)O)C(=O)N    		 NICOTINAMIDE-ADENINE-DINUCLEOTIDE
    374 NAI
    CHEMBL1234616
    DB00157
    ZINC000008215403    		 1 C21 H29 N7 O14 P2 InChI=1S/C21H29N7O14P2/c2
    2-17-12-19(25-7-24-17)28(
    8-26-12)21-16(32)14(30)11
    (41-21)6-39-44(36,37)42-4
    3(34,35)38-5-10-13(29)15(
    31)20(40-10)27-3-1-2-9(4-
    27)18(23)33/h1,3-4,7-8,10
    -11,13-16,20-21,29-32H,2,
    5-6H2,(H2,23,33)(H,34,35)
    (H,36,37)(H2,22,24,25)/t1
    0-,11-,13-,14-,15-,16-,20
    -,21-/m1/s1;
    BOPGDPNILDQYTO-NNYOXOHSSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O
    P(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)
    O)O)O)O)N; 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)[C@@H]3O)n4cnc5c(N)ncnc45)[C
    @@H](O)[C@H]2O; 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)O)N; NC(=O)C1=C
    N(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=
    O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)n
    cnc45)[CH](O)[CH]2O    		 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE;
    NADH
    375 NCO
    DB03350    		 572 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)
    376 NEB 1 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
    377 NEG
    CHEMBL78628    		 21 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
    378 NH4 25 H4 N InChI=1S/H3N/h1H3/p+1;
    QGZKDVFQNNGYKY-UHFFFAOYSA-O    		 [NH4+] AMMONIUM ION
    379 NI
    DB14204    		 7 Ni InChI=1S/Ni/q+2;
    VEQPNABPJHWNSG-UHFFFAOYSA-N    		 [Ni++]; [Ni+2] NICKEL (II) ION
    380 NI4 12 C22 H23 N3 O2 InChI=1S/C22H23N3O2/c1-24
    (14-15-26)19-11-8-18(9-12
    -19)16-20-22(27)25(2)21(2
    3-20)13-10-17-6-4-3-5-7-1
    7/h3-13,16,26H,14-15H2,1-
    2H3/b13-10+,20-16-;
    ZFOXSTQDZTYDAX-GHAMAFACSA-N    		 CN1C(=NC(=Cc2ccc(cc2)N(C)CCO)C1=O)C=Cc3c
    cccc3; CN(CCO)c1ccc(cc1)\C=C2/N=C(/C=C/c
    3ccccc3)N(C)C2=O; CN1C(=N/C(=C\c2ccc(cc2
    )N(C)CCO)/C1=O)/C=C/c3ccccc3; CN(CCO)c1c
    cc(cc1)C=C2N=C(C=Cc3ccccc3)N(C)C2=O    		 (5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one
    381 NJL 2 C19 H14 F2 N2 O3 InChI=1S/C19H14F2N2O3/c1-
    23-17(7-4-11-2-5-13(24)6-
    3-11)22-16(19(23)26)10-12
    -8-14(20)18(25)15(21)9-12
    /h2-10,24-25H,1H3/b7-4+,1
    6-10-;
    VDZKKTGUASZPDB-RMASLCFXSA-N    		 CN1C(=N/C(=C\c2cc(c(c(c2)F)O)F)/C1=O)/C=
    C/c3ccc(cc3)O; CN1C(=O)C(=Cc2cc(F)c(O)c(
    F)c2)N=C1C=Cc3ccc(O)cc3; CN1C(=O)/C(=C/c
    2cc(F)c(O)c(F)c2)N=C1/C=C/c3ccc(O)cc3; C
    N1C(=NC(=Cc2cc(c(c(c2)F)O)F)C1=O)C=Cc3cc
    c(cc3)O    		 (5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-3-methyl-imidazol-4-one
    382 NMN
    ZINC000004228273    		 13 C11 H16 N2 O8 P InChI=1S/C11H15N2O8P/c12-
    10(16)6-2-1-3-13(4-6)11-9
    (15)8(14)7(21-11)5-20-22(
    17,18)19/h1-4,7-9,11,14-1
    5H,5H2,(H3-,12,16,17,18,1
    9)/p+1/t7-,8-,9-,11-/m1/s
    1;
    DAYLJWODMCOQEW-TURQNECASA-O    		 NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O
    )(O)=O)[C@@H](O)[C@H]2O; c1cc(c[n+](c1)C
    2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N; NC(=O)
    c1ccc[n+](c1)[CH]2O[CH](CO[P](O)(O)=O)[C
    H](O)[CH]2O; c1cc(c[n+](c1)[C@H]2[C@@H](
    [C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N;
    O=C(c1ccc[n+](c1)C2OC(C(O)C2O)COP(=O)(O)
    O)N    		 BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE;
    NICOTINAMIDE MONONUCLEOTIDE
    383 NMY
    CHEMBL184618
    DB00452
    ZINC000071928291    		 64 C23 H46 N6 O13 InChI=1S/C23H46N6O13/c24-
    2-7-13(32)15(34)10(28)21(
    37-7)40-18-6(27)1-5(26)12
    (31)20(18)42-23-17(36)19(
    9(4-30)39-23)41-22-11(29)
    16(35)14(33)8(3-25)38-22/
    h5-23,30-36H,1-4,24-29H2/
    t5-,6+,7-,8+,9-,10-,11-,1
    2+,13-,14-,15-,16-,17-,18
    -,19-,20-,21-,22-,23+/m1/
    s1;
    PGBHMTALBVVCIT-VCIWKGPPSA-N    		 C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3
    C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N
    ; NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH]
    (O)[CH]2O[CH]3O[CH](CO)[CH](O[CH]4O[CH](
    CN)[CH](O)[CH](O)[CH]4N)[CH]3O)[CH](N)[C
    H](O)[CH]1O; C1[C@H]([C@@H]([C@H]([C@@H]
    ([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@
    H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H
    ](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@
    H](O4)CN)O)O)N)O)O)N; NC[C@H]1O[C@H](O[C
    @@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[
    C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@@H](CN
    )[C@@H](O)[C@H](O)[C@H]4N)[C@H]3O)[C@H](
    N)[C@@H](O)[C@@H]1O; O(C2C(OC1OC(CN)C(O)
    C(O)C1N)C(N)CC(N)C2O)C4OC(C(OC3OC(CN)C(O
    )C(O)C3N)C4O)CO    		 NEOMYCIN;
    MYCIFRADIN;
    NEOMAS;
    PIMAVECORT;
    VONAMYCIN
    384 NMZ
    ZINC000263621150    		 2 C27 H52 F N7 O14 InChI=1S/C27H52FN7O14/c28
    -13-10(4-30)44-25(14(33)1
    8(13)40)47-21-7(32)3-8(35
    -24(43)9(37)1-2-29)16(38)
    23(21)49-27-20(42)22(12(6
    -36)46-27)48-26-15(34)19(
    41)17(39)11(5-31)45-26/h7
    -23,25-27,36-42H,1-6,29-3
    4H2,(H,35,43)/t7-,8+,9-,1
    0+,11-,12+,13-,14+,15+,16
    -,17+,18-,19+,20+,21+,22+
    ,23+,25+,26+,27-/m0/s1;
    VWXJAOATJPQONW-MKAHEPKYSA-N    		 C1C(C(C(C(C1NC(=O)C(CCN)O)O)OC2C(C(C(O2)
    CO)OC3C(C(C(C(O3)CN)O)O)N)O)OC4C(C(C(C(O
    4)CN)F)O)N)N; FC1C(O)C(N)C(OC1CN)OC4C(N)
    CC(NC(=O)C(O)CCN)C(O)C4OC3OC(C(OC2OC(CN)
    C(O)C(O)C2N)C3O)CO; C1[C@@H]([C@H]([C@@H
    ]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O)O[C@H
    ]2[C@@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@
    H]([C@H]([C@@H]([C@@H](O3)CN)O)O)N)O)O[C
    @@H]4[C@@H]([C@H]([C@H]([C@H](O4)CN)F)O)
    N)N; NCC[CH](O)C(=O)N[CH]1C[CH](N)[CH](O
    [CH]2O[CH](CN)[CH](F)[CH](O)[CH]2N)[CH](
    O[CH]3O[CH](CO)[CH](O[CH]4O[CH](CN)[CH](
    O)[CH](O)[CH]4N)[CH]3O)[CH]1O; NCC[C@H](
    O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[
    C@H](CN)[C@H](F)[C@H](O)[C@H]2N)[C@H](O[
    C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@@H](CN
    )[C@@H](O)[C@H](O)[C@H]4N)[C@H]3O)[C@H]1
    O    		 (2S)-4-amino-N-{(1R,2S,3R,4R,5S)-5-amino-3-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy }-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide;
    1-N-[(S)-4-Amino-2-hydroxybutanoyl]-4'-deoxy-4'-fluoro-4'-epineomycin
    385 NNR
    CHEMBL438497
    DB14933
    ZINC000004096036    		 4 C11 H15 N2 O5 InChI=1S/C11H14N2O5/c12-1
    0(17)6-2-1-3-13(4-6)11-9(
    16)8(15)7(5-14)18-11/h1-4
    ,7-9,11,14-16H,5H2,(H-,12
    ,17)/p+1/t7-,8-,9-,11-/m1
    /s1;
    JLEBZPBDRKPWTD-TURQNECASA-O    		 NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO)[CH](O)
    [CH]2O; c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H
    ]([C@H](O2)CO)O)O)C(=O)N; NC(=O)c1ccc[n+
    ](c1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O;
    c1cc(c[n+](c1)C2C(C(C(O2)CO)O)O)C(=O)N;
    O=C(c1ccc[n+](c1)C2OC(C(O)C2O)CO)N    		 Nicotinamide riboside;
    3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium
    386 NPR 2 C9 H13 N5 O4 InChI=1S/C9H13N5O4/c10-9-
    13-7-5(8(18)14-9)12-3(1-1
    1-7)6(17)4(16)2-15/h4,6,1
    5-17H,1-2H2,(H4,10,11,13,
    14,18)/t4-,6-/m0/s1;
    YQIFAMYNGGOTFB-NJGYIYPDSA-N    		 NC1=NC(=O)C2=C(NCC(=N2)[CH](O)[CH](O)CO)
    N1; C1C(=NC2=C(N1)NC(=NC2=O)N)C(C(CO)O)O
    ; NC1=NC(=O)C2=C(NCC(=N2)[C@H](O)[C@@H](
    O)CO)N1; O=C1N=C(NC=2NCC(=NC1=2)C(O)C(O)
    CO)N; C1C(=NC2=C(N1)NC(=NC2=O)N)[C@@H]([
    C@@H](CO)O)O    		 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE;
    7,8-DIHYDRONEOPTERIN
    387 NWX
    CHEMBL2016761
    ZINC000084588056    		 1 C12 H16 N5 O13 P3 InChI=1S/C12H16N5O13P3/c1
    3-4-12(8-2-1-6-11(14)15-5
    -16-17(6)8)10(19)9(18)7(2
    8-12)3-27-32(23,24)30-33(
    25,26)29-31(20,21)22/h1-2
    ,5,7,9-10,18-19H,3H2,(H,2
    3,24)(H,25,26)(H2,14,15,1
    6)(H2,20,21,22)/t7-,9-,10
    -,12+/m1/s1;
    DFVPCNAMNAPBCX-LTGWCKQJSA-N    		 Nc1ncnn2c1ccc2[C@@]3(O[C@H](CO[P](O)(=O)
    O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
    )C#N; Nc1ncnn2c1ccc2[C]3(O[CH](CO[P](O)(
    =O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
    )C#N; c1cc(n2c1c(ncn2)N)C3(C(C(C(O3)COP(
    =O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C#N; c1cc(
    n2c1c(ncn2)N)[C@]3([C@@H]([C@@H]([C@H](O
    3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C#N    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate;
    Remdesivir triphosphate
    388 O
    CHEMBL1098659
    DB09145    		 4 O InChI=1S/H2O/h1H2;
    XLYOFNOQVPJJNP-UHFFFAOYSA-N    		 O; [O] OXYGEN ATOM
    389 O00 2 C19 H14 F2 N2 O2 InChI=1S/C19H14F2N2O2/c1-
    23-17(8-7-12-5-3-2-4-6-12
    )22-16(19(23)25)11-13-9-1
    4(20)18(24)15(21)10-13/h2
    -11,24H,1H3/b8-7+,16-11-;
    QXBNXTPHNSRTRU-UQQCGOLSSA-N    		 CN1C(=N/C(=C\c2cc(c(c(c2)F)O)F)/C1=O)/C=
    C/c3ccccc3; CN1C(=O)C(=Cc2cc(F)c(O)c(F)c
    2)N=C1C=Cc3ccccc3; CN1C(=NC(=Cc2cc(c(c(c
    2)F)O)F)C1=O)C=Cc3ccccc3; CN1C(=O)/C(=C/
    c2cc(F)c(O)c(F)c2)N=C1\C=C\c3ccccc3    		 (5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one
    390 O2I 2 C20 H13 F2 N3 O2 InChI=1S/C20H13F2N3O2/c1-
    25-18(7-6-12-2-4-13(11-23
    )5-3-12)24-17(20(25)27)10
    -14-8-15(21)19(26)16(22)9
    -14/h2-10,26H,1H3/b7-6+,1
    7-10-;
    LESKMMBFOZYPDE-SVHBSCFYSA-N    		 CN1C(=NC(=Cc2cc(c(c(c2)F)O)F)C1=O)C=Cc3c
    cc(cc3)C#N; CN1C(=N/C(=C\c2cc(c(c(c2)F)O
    )F)/C1=O)/C=C/c3ccc(cc3)C#N; CN1C(=O)C(=
    Cc2cc(F)c(O)c(F)c2)N=C1C=Cc3ccc(cc3)C#N;
    CN1C(=O)/C(=C/c2cc(F)c(O)c(F)c2)N=C1/C=
    C/c3ccc(cc3)C#N    		 4-[(~{E})-2-[(4~{Z})-4-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-1-methyl-5-oxidanylidene-imidazol-2-yl]ethenyl]benzenecarbonitrile
    391 O7S 2 C30 H40 F N3 O6 InChI=1S/C30H40FN3O6/c1-5
    -8-21-11-12-26(36)32-13-6
    -9-20(4)15-23(35)16-22(31
    )17-27-33-24(18-39-27)29(
    37)34-14-7-10-25(34)30(38
    )40-28(21)19(2)3/h5-6,9,1
    1-12,15,18-19,21-23,25,28
    ,35H,1,7-8,10,13-14,16-17
    H2,2-4H3,(H,32,36)/b9-6+,
    12-11+,20-15+/t21-,22-,23
    -,25-,28-/m1/s1;
    GWIAEMBAGQHJHW-CLECSTCYSA-N    		 C/C/1=C\[C@H](C[C@H](Cc2nc(co2)C(=O)N3CC
    C[C@@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC
    \C=C1)CC=C)C(C)C)F)O; CC(C)[C@H]1OC(=O)[
    C@H]2CCCN2C(=O)c3coc(C[C@H](F)C[C@H](O)/
    C=C(C)/C=C/CNC(=O)/C=C/[C@H]1CC=C)n3; CC
    (C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc(C[CH]
    (F)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1CC=C)
    n3; C2(CC(Cc1nc(co1)C(N3C(C(OC(C(C)C)C(C
    =CC(=O)NCC=CC(=C2)C)C/C=C)=O)CCC3)=O)F)O
    ; CC1=CC(CC(Cc2nc(co2)C(=O)N3CCCC3C(=O)O
    C(C(C=CC(=O)NCC=C1)CC=C)C(C)C)F)O    		 (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione
    392 O7V 2 C38 H44 F N5 O8 InChI=1S/C38H44FN5O8/c1-2
    3-8-6-14-40-33(46)13-12-2
    4(2)35(25(3)21-51-38(49)4
    3-32-17-26-9-4-5-10-27(26
    )20-41-32)52-37(48)31-11-
    7-15-44(31)36(47)30-22-50
    -34(42-30)19-28(39)18-29(
    45)16-23/h4-6,8-10,12-13,
    16-17,20,22,24-25,28-29,3
    1,35,45H,7,11,14-15,18-19
    ,21H2,1-3H3,(H,40,46)(H,4
    1,43,49)/b8-6+,13-12+,23-
    16+/t24-,25-,28-,29-,31-,
    35+/m1/s1;
    BDEXJNNFQAFGAE-IPFDKBLQSA-N    		 C[C@H](COC(=O)Nc1cc2ccccc2cn1)[C@H]3OC(=
    O)[C@H]4CCCN4C(=O)c5coc(C[C@H](F)C[C@H](
    O)/C=C(C)/C=C/CNC(=O)/C=C/[C@H]3C)n5; CC
    1C=CC(=O)NCC=CC(=CC(CC(Cc2nc(co2)C(=O)N3
    CCCC3C(=O)OC1C(C)COC(=O)Nc4cc5ccccc5cn4)
    F)O)C; C[CH](COC(=O)Nc1cc2ccccc2cn1)[CH]
    3OC(=O)[CH]4CCCN4C(=O)c5coc(C[CH](F)C[CH
    ](O)C=C(C)C=CCNC(=O)C=C[CH]3C)n5; C2(=CC
    (O)CC(Cc1nc(co1)C(N5C(C(OC(C(C=CC(NCC=C2
    )=O)C)C(C)COC(Nc3ncc4c(c3)cccc4)=O)=O)CC
    C5)=O)F)C; C[C@@H]1/C=C/C(=O)NC/C=C/C(=C
    /[C@H](C[C@H](Cc2nc(co2)C(=O)N3CCC[C@@H]
    3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4cc5ccccc
    5cn4)F)O)/C    		 (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
    393 O7Y 1 C38 H43 N5 O9 InChI=1S/C38H43N5O9/c1-23
    -8-6-14-39-33(46)13-12-24
    (2)35(25(3)21-51-38(49)42
    -32-17-26-9-4-5-10-27(26)
    20-40-32)52-37(48)31-11-7
    -15-43(31)36(47)30-22-50-
    34(41-30)19-29(45)18-28(4
    4)16-23/h4-6,8-10,12-13,1
    6-17,20,22,24-25,28,31,35
    ,44H,7,11,14-15,18-19,21H
    2,1-3H3,(H,39,46)(H,40,42
    ,49)/b8-6+,13-12+,23-16+/
    t24-,25-,28-,31-,35+/m1/s
    1;
    TZVIVTYQVAVLJC-GLOMSVDJSA-N    		 C2(=CC(O)CC(Cc1nc(co1)C(N5C(C(OC(C(C=CC(
    NCC=C2)=O)C)C(C)COC(Nc3ncc4c(c3)cccc4)=O
    )=O)CCC5)=O)=O)C; CC1C=CC(=O)NCC=CC(=CC(
    CC(=O)Cc2nc(co2)C(=O)N3CCCC3C(=O)OC1C(C)
    COC(=O)Nc4cc5ccccc5cn4)O)C; C[CH](COC(=O
    )Nc1cc2ccccc2cn1)[CH]3OC(=O)[CH]4CCCN4C(
    =O)c5coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C
    =C[CH]3C)n5; C[C@H](COC(=O)Nc1cc2ccccc2c
    n1)[C@H]3OC(=O)[C@H]4CCCN4C(=O)c5coc(CC(
    =O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@H
    ]3C)n5; C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C
    @H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(=
    O)O[C@@H]1[C@H](C)COC(=O)Nc4cc5ccccc5cn4
    )O)/C    		 (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
    394 O8D 1 C30 H39 N3 O7 InChI=1S/C30H39N3O7/c1-5-
    8-21-11-12-26(36)31-13-6-
    9-20(4)15-22(34)16-23(35)
    17-27-32-24(18-39-27)29(3
    7)33-14-7-10-25(33)30(38)
    40-28(21)19(2)3/h5-6,9,11
    -12,15,18-19,21-22,25,28,
    34H,1,7-8,10,13-14,16-17H
    2,2-4H3,(H,31,36)/b9-6+,1
    2-11+,20-15+/t21-,22-,25-
    ,28-/m1/s1;
    KIBQNEPECLKTQL-NJRJPMQWSA-N    		 CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc(CC(
    =O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1CC=C)
    n3; CC1=CC(CC(=O)Cc2nc(co2)C(=O)N3CCCC3C
    (=O)OC(C(C=CC(=O)NCC=C1)CC=C)C(C)C)O; C/
    C/1=C\[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C
    @@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC\C=
    C1)CC=C)C(C)C)O; CC(C)[C@H]1OC(=O)[C@H]2
    CCCN2C(=O)c3coc(CC(=O)C[C@H](O)/C=C(C)/C
    =C/CNC(=O)/C=C/[C@H]1CC=C)n3; C2(CC(Cc1n
    c(co1)C(N3C(C(OC(C(C)C)C(C=CC(=O)NCC=CC(
    =C2)C)C/C=C)=O)CCC3)=O)=O)O    		 (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone
    395 O8J
    CHEMBL2105600    		 1 C28 H37 N3 O7 InChI=1S/C28H37N3O7/c1-17
    (2)26-19(4)9-10-24(34)29-
    11-5-7-18(3)13-20(32)14-2
    1(33)15-25-30-22(16-37-25
    )27(35)31-12-6-8-23(31)28
    (36)38-26/h5,7,9-10,13,16
    -17,19-20,23,26,32H,6,8,1
    1-12,14-15H2,1-4H3,(H,29,
    34)/b7-5+,10-9+,18-13+/t1
    9-,20-,23-,26-/m1/s1;
    JOOMGSFOCRDAHL-WPZKFCHQSA-N    		 CC(C)[C@H]1OC(=O)[C@H]2CCCN2C(=O)c3coc(C
    C(=O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C
    @H]1C)n3; C2(=CC(CC(Cc1nc(co1)C(N3C(C(=O
    )OC(C(C=CC(NCC=C2)=O)C)C(C)C)CCC3)=O)=O)
    O)C; CC1C=CC(=O)NCC=CC(=CC(CC(=O)Cc2nc(c
    o2)C(=O)N3CCCC3C(=O)OC1C(C)C)O)C; C[C@@H
    ]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2n
    c(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1C(C)
    C)O)/C; CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c
    3coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C=C[C
    H]1C)n3    		 (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone
    396 O8P 1 C34 H40 Br N5 O9 InChI=1S/C34H40BrN5O9/c1-
    20-6-4-11-37-29(43)9-8-21
    (2)31(22(3)18-48-34(46)38
    -23-10-12-36-28(35)15-23)
    49-33(45)27-7-5-13-40(27)
    32(44)26-19-47-30(39-26)1
    7-25(42)16-24(41)14-20/h4
    ,6,8-10,12,14-15,19,21-22
    ,24,27,31,41H,5,7,11,13,1
    6-18H2,1-3H3,(H,37,43)(H,
    36,38,46)/b6-4+,9-8+,20-1
    4+/t21-,22-,24-,27-,31+/m
    1/s1;
    DVPGDVCEDLKOOR-IUBPLUFBSA-N    		 C[C@H](COC(=O)Nc1ccnc(Br)c1)[C@H]2OC(=O)
    [C@H]3CCCN3C(=O)c4coc(CC(=O)C[C@H](O)/C=
    C(C)/C=C/CNC(=O)/C=C/[C@H]2C)n4; C[C@@H]
    1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc
    (co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H]
    (C)COC(=O)Nc4ccnc(c4)Br)O)/C; C[CH](COC(
    =O)Nc1ccnc(Br)c1)[CH]2OC(=O)[CH]3CCCN3C(
    =O)c4coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C
    =C[CH]2C)n4; C3(CC(Cc1nc(co1)C(N4C(C(=O)
    OC(C(COC(Nc2cc(Br)ncc2)=O)C)C(C=CC(NCC=C
    C(=C3)C)=O)C)CCC4)=O)=O)O; CC1C=CC(=O)NC
    C=CC(=CC(CC(=O)Cc2nc(co2)C(=O)N3CCCC3C(=
    O)OC1C(C)COC(=O)Nc4ccnc(c4)Br)O)C    		 (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate
    397 O8S 1 C36 H41 F3 N4 O9 InChI=1S/C36H41F3N4O9/c1-
    21-6-4-14-40-30(46)13-8-2
    2(2)32(23(3)19-51-35(49)4
    1-25-11-9-24(10-12-25)36(
    37,38)39)52-34(48)29-7-5-
    15-43(29)33(47)28-20-50-3
    1(42-28)18-27(45)17-26(44
    )16-21/h4,6,8-13,16,20,22
    -23,26,29,32,44H,5,7,14-1
    5,17-19H2,1-3H3,(H,40,46)
    (H,41,49)/b6-4+,13-8+,21-
    16+/t22-,23-,26-,29-,32+/
    m1/s1;
    QSYJCJBWWVFSHG-FJYLNHJQSA-N    		 CC1C=CC(=O)NCC=CC(=CC(CC(=O)Cc2nc(co2)C(
    =O)N3CCCC3C(=O)OC1C(C)COC(=O)Nc4ccc(cc4)
    C(F)(F)F)O)C; C[C@@H]1/C=C/C(=O)NC/C=C/C
    (=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@
    H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4ccc(cc
    4)C(F)(F)F)O)/C; C[CH](COC(=O)Nc1ccc(cc1
    )C(F)(F)F)[CH]2OC(=O)[CH]3CCCN3C(=O)c4co
    c(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]2
    C)n4; C[C@H](COC(=O)Nc1ccc(cc1)C(F)(F)F)
    [C@H]2OC(=O)[C@H]3CCCN3C(=O)c4coc(CC(=O)
    C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@H]2C
    )n4; C2(=CC(CC(Cc1nc(co1)C(N4C(C(=O)OC(C
    (C=CC(NCC=C2)=O)C)C(C)COC(=O)Nc3ccc(C(F)
    (F)F)cc3)CCC4)=O)=O)O)C    		 (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl [4-(trifluoromethyl)phenyl]carbamate
    398 O8V 1 C38 H43 N5 O9 InChI=1S/C38H43N5O9/c1-23
    -8-6-14-39-33(46)13-12-24
    (2)35(25(3)21-51-38(49)42
    -32-17-26-9-4-5-10-27(26)
    20-40-32)52-37(48)31-11-7
    -15-43(31)36(47)30-22-50-
    34(41-30)19-29(45)18-28(4
    4)16-23/h4-6,8-10,12-13,1
    6-17,20,22,24-25,28,31,35
    ,44H,7,11,14-15,18-19,21H
    2,1-3H3,(H,39,46)(H,40,42
    ,49)/b8-6+,13-12+,23-16+/
    t24-,25+,28-,31-,35+/m1/s
    1;
    TZVIVTYQVAVLJC-VQXLESIQSA-N    		 C[C@@H](COC(=O)Nc1cc2ccccc2cn1)[C@H]3OC(
    =O)[C@H]4CCCN4C(=O)c5coc(CC(=O)C[C@H](O)
    /C=C(C)/C=C/CNC(=O)/C=C/[C@H]3C)n5; CC1C
    =CC(=O)NCC=CC(=CC(CC(=O)Cc2nc(co2)C(=O)N
    3CCCC3C(=O)OC1C(C)COC(=O)Nc4cc5ccccc5cn4
    )O)C; C[CH](COC(=O)Nc1cc2ccccc2cn1)[CH]3
    OC(=O)[CH]4CCCN4C(=O)c5coc(CC(=O)C[CH](O
    )C=C(C)C=CCNC(=O)C=C[CH]3C)n5; C[C@@H]1/
    C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(c
    o2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@@H](
    C)COC(=O)Nc4cc5ccccc5cn4)O)/C; C4(O)C=C(
    C=CCNC(C=CC(C)C(C(C)COC(=O)Nc1ncc2c(c1)c
    ccc2)OC(C3CCCN3C(c5coc(CC(C4)=O)n5)=O)=O
    )=O)C    		 (2S)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
    399 OCW
    CHEMBL3609771
    ZINC000031416760    		 3 C24 H22 O11 InChI=1S/C24H22O11/c1-9-1
    5-10(7-12(32-2)16(9)22(30
    )34-4)6-11-17(18(15)26)21
    (29)24(35-5)14(25)8-13(33
    -3)20(28)23(24,31)19(11)2
    7/h6-8,20,26,28,31H,1-5H3
    /t20-,23-,24-/m1/s1;
    QSPIPUXWSNFXCK-AGILITTLSA-N    		 Cc1c2c(cc3c(c2O)C(=O)[C@@]4(C(=O)C=C([C@
    H]([C@@]4(C3=O)O)O)OC)OC)cc(c1C(=O)OC)OC
    ; Cc1c2c(cc3c(c2O)C(=O)C4(C(=O)C=C(C(C4(
    C3=O)O)O)OC)OC)cc(c1C(=O)OC)OC; COC(=O)c
    1c(C)c2c(O)c3C(=O)[C@]4(OC)C(=O)C=C(OC)[
    C@@H](O)[C@]4(O)C(=O)c3cc2cc1OC; COC(=O)
    c1c(C)c2c(O)c3C(=O)[C]4(OC)C(=O)C=C(OC)[
    CH](O)[C]4(O)C(=O)c3cc2cc1OC    		 Tetracenomycin X;
    methyl (6aR,7S,10aR)-3,8,10a-trimethoxy-1-methyl-6a,7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7H-tetracene-2-carboxylate
    400 OHX 24439 H12 N6 Os InChI=1S/6H2N.Os/h6*1H2;/
    q6*-1;+6;
    OWCQTVJQFLTQTE-UHFFFAOYSA-N    		 N[Os](N)(N)(N)(N)N osmium (III) hexammine;
    osmium(6+) hexaazanide
    Reference:
  • Chengxin Zhang, P. Lydia Freddolino (2023) FURNA: a database for function annotations of RNA structures, bioRxiv 2023.12.19.572314.

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